*HEADER    RNA BINDING PROTEIN/RNA                 02-MAR-09   2KFY              
*TITLE     NMR STRUCTURE OF THE FIRST QRRM OF HNRNP F IN COMPLEX WITH AGGGAU G-  
*TITLE    2 TRACT RNA                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN F;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-R(*AP*GP*GP*GP*AP*U)-3';                                
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 SYNONYM: HNRNP F, NUCLEOLIN-LIKE PROTEIN MCS94-1;                    
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_TAXID: 9606;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 511693;                                     
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 CODON PLUS;                           
*SOURCE   7 MOL_ID: 2;                                                           
*SOURCE   8 SYNTHETIC: YES                                                       
*KEYWDS    PROTEIN-RNA COMPLEX, G TRACT, SPLICING REGULATION, POLYADENYLATION    
*KEYWDS   2 REGULATION, ACETYLATION, MRNA PROCESSING, MRNA SPLICING, NUCLEUS,    
*KEYWDS   3 PHOSPHOPROTEIN, POLYMORPHISM, RIBONUCLEOPROTEIN, RNA-BINDING,        
*KEYWDS   4 SPLICEOSOME, RNA BINDING PROTEIN-RNA COMPLEX                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.H.T.ALLAIN, C.DOMINGUEZ                                             
*REVDAT   1   09-JUN-10 2KFY    0                                                


#
#   35 THR   HB     36 ILE  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 520, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   91 THR   HB     92 GLU  HN       3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1400, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   91 THR   HN     91 THR  HB       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1386,1390, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   63 SER   HB2    64 GLU  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 927, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   24 VAL   HA     28 GLN  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 402, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   23 SER   HA     24 VAL  HA       4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 345, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   24 VAL   HA     27 VAL  QG1      3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 392, 393, 394,
 &end
#
#   24 VAL   HA     43 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 612, 613, 614,
 &end
#
#   24 VAL   HA     43 VAL  HB       4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 606, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   27 VAL   HA     30 PHE  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 433, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   27 VAL   HA     30 PHE  HB3      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 438, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   27 VAL   HA     27 VAL  QG2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 396, 397, 398,
 &end
#
#   91 THR   HA     94 ASP  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1432, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   63 SER   HB2    66 ASP  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 954, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   95 TRP   HZ3    96 VAL  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1461,1470, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   61 LEU   QD1    67 VAL  HA       3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 899, 900, 901,
 &end
#
#   91 THR   HA     95 TRP  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1444, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   91 THR   HA     94 ASP  HB2      3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1436, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   96 VAL   HA    100 SER  HA       4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1544, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   76 GLU   QB     77 SER  QB       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1134,1135,
 igr2=1149,1150,
 &end
#
#   77 SER   HN     77 SER  QB       3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=1149,1150,
 &end
#
#   76 GLU   HA     77 SER  QB       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1149,1150,
 &end
#
#   46 ILE   QG2   100 SER  HB2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 661, 662, 663,
 &end
#
#   96 VAL   QG2   100 SER  HB3      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1478,1479,1480,
 &end
#
#  100 SER   HB3   101 GLY  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1547,1553, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   14 LYS   HN     88 SER  HB3      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 181,1339, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   32 SER   HN     32 SER  HB2      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   32 SER   HB3    33 ASP  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 483, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   43 VAL   HA     44 HIS  HB2      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 622, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   43 VAL   HA     60 GLU  HN       4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 875, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   36 ILE   QG2    43 VAL  HA       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 526, 527, 528,
 &end
#
#   43 VAL   HA     43 VAL  QG2      3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 612, 613, 614,
 &end
#
#   29 ASN   HND1   30 PHE  HA       3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   36 ILE   HA     37 HIS  HB3      4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   43 VAL   QG2    59 VAL  HA       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 612, 613, 614,
 &end
#
#   12 VAL   HA     61 LEU  HN       3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 890, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   59 VAL   HA     59 VAL  QG1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 865, 866, 867,
 &end
#
#   44 HIS   HN     59 VAL  HA       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 861, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   25 GLU   HA     28 GLN  HN       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 402, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   68 LYS   HA     71 LEU  HN       4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 984,1031, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   68 LYS   HA     68 LYS  HG2      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 984, 989, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   68 LYS   HA     68 LYS  HG3      3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 984, 990, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   90 ARG   HA     94 ASP  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1432, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   90 ARG   HA     93 MET  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1415, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   46 ILE   HA     47 TYR  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 674, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   46 ILE   HA     46 ILE  QG2      3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 661, 662, 663,
 &end
#
#   28 GLN   HA     31 LEU  QD2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 466, 467, 468,
 &end
#
#   22 CYS   HA     23 SER  HN       3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 332, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   46 ILE   HA     47 TYR  HD       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 682, 691,
 &end
#
#   92 GLU   HA     95 TRP  HB3      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1449, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   92 GLU   HA     92 GLU  HG3      3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1408, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   64 GLU   HA     68 LYS  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 982, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   11 PHE   HE     64 GLU  HA       3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 139, 143,
 &end
#
#   87 LYS   HA     87 LYS  HG3      3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1320, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   86 PHE   HA     87 LYS  HA       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1314, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   93 MET   HA     97 LEU  QD2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1417,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1497,1498,1499,
 &end
#
#   63 SER   HN     66 ASP  HA       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 956, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   66 ASP   HA     70 ALA  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 956,1021, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   66 ASP   HA     69 MET  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 956,1004, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   66 ASP   HA     69 MET  HB3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 956,1009, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   26 ASP   HA     29 ASN  HN       3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 419, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   72 LYS   HA     72 LYS  QD       2.85
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr2=1060,1061,
 &end
#
#   69 MET   HA     72 LYS  HG3      3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1058, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   71 LEU   HA     74 ASP  HB2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1098, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   71 LEU   HA     85 VAL  HB       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1280, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   71 LEU   HA     71 LEU  QD1      3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1040,1041,1042,
 &end
#
#   47 TYR   HA     54 SER  HN       4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 796, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   74 ASP   HA     85 VAL  QG1      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1096,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1282,1283,1284,
 &end
#
#   65 ASP   HA     65 ASP  HB2      2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 946, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#   98 LYS   HA     99 HIS  HN       3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1525, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#   98 LYS   HA     98 LYS  HB3      2.99
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1508, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#   71 LEU   HA     74 ASP  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1094, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   15 LEU   HN     58 PHE  HA       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 841, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   14 LYS   HA     58 PHE  HA       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 841, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   76 GLU   HA     77 SER  HN       3.22
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1145, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   76 GLU   HA     76 GLU  QB       2.93
 &rst
  ixpk= 0, nxpk= 0, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr2=1134,1135,
 &end
#
#   65 ASP   HA     68 LYS  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 982, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   99 HIS   HA     99 HIS  HD2      3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1527,1538, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   23 SER   HA     24 VAL  QG1      4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 349, 350, 351,
 &end
#
#   60 GLU   HA     60 GLU  HG2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 882, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   11 PHE   HA     12 VAL  HN       3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 149, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   29 ASN   HA     29 ASN  HB3      2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 424, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   78 MET   HA     78 MET  HG2      3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1163, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   78 MET   HA     79 GLY  HA3      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1176, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   69 MET   HN     70 ALA  HA       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1023, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   86 PHE   HA     87 LYS  HN       3.02
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1312, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#   78 MET   HA     78 MET  HB3      2.69
 &rst
  ixpk= 0, nxpk= 0, iat=1158,1161, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
#   73 LYS   HA     76 GLU  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1130, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   73 LYS   HA     73 LYS  QE       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1085,1086,
 &end
#
#   38 ASP   HA     39 GLY  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ALA   HA     72 LYS  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1050, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   24 VAL   HB     40 ALA  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 577, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   40 ALA   HA     43 VAL  QG2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 612, 613, 614,
 &end
#
#   39 GLY   HA3    40 ALA  HA       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 577, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   40 ALA   HA     43 VAL  HB       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 606, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   24 VAL   QG1    40 ALA  HA       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 349, 350, 351,
 &end
#
#   13 VAL   HB     14 LYS  HA       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 183, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   14 LYS   HA     14 LYS  HG2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   17 GLY   HN     56 GLU  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 816, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   18 LEU   HA     18 LEU  QD1      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 262, 263, 264,
 &end
#
#   61 LEU   HA     62 GLY  HA2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 911, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   41 ALA   HA     43 VAL  HN       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 602, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   81 ARG   HA     83 ILE  QD1      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=1255,1256,1257,
 &end
#
#   15 LEU   HA     85 VAL  HA       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 205,1278, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   44 HIS   HA     45 PHE  HN       3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 635, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#   44 HIS   HA     97 LEU  QD2      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1497,1498,1499,
 &end
#
#   31 LEU   HA     73 LYS  HG3      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 455,1080, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   46 ILE   QD1    57 ALA  HA       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 668, 669, 670,
 &end
#
#   35 THR   QG2    62 GLY  HA2      4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 512, 513, 514,
 &end
#
#   61 LEU   HB2    62 GLY  HA3      4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 912, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   35 THR   HB     62 GLY  HA3      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 912, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   36 ILE   QG2    39 GLY  HA2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 526, 527, 528,
 &end
#
#   39 GLY   HA2    41 ALA  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 585, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   28 GLN   HNE1   39 GLY  HA3      4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 571, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   36 ILE   HB     39 GLY  HA3      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 571, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   36 ILE   QG2    39 GLY  HA3      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 526, 527, 528,
 &end
#
#   36 ILE   QG2    42 GLY  HA2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 526, 527, 528,
 &end
#
#   36 ILE   QG2    42 GLY  HA3      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 526, 527, 528,
 &end
#
#    8 GLY   QA      9 GLU  HN       3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr1= 102, 103,
 &end
#
#    8 GLY   QA      9 GLU  HG3      4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 102, 103,
 &end
#
#  100 SER   HA    101 GLY  HA2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1544,1555, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   66 ASP   HB3    67 VAL  HN       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 966, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   61 LEU   HB2    61 LEU  QD2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 903, 904, 905,
 &end
#
#   61 LEU   HB3    67 VAL  QG1      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 972, 973, 974,
 &end
#
#   10 GLY   HA2    89 HIS  HA       3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 124,1347, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   10 GLY   HA2    12 VAL  QG2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 159, 160, 161,
 &end
#
#   61 LEU   HB2    66 ASP  HB3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 959, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   61 LEU   QD1    66 ASP  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 899, 900, 901,
 &end
#
#   61 LEU   HB3    62 GLY  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 895, 909, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   61 LEU   HB3    61 LEU  QD1      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 899, 900, 901,
 &end
#
#   14 LYS   HA     15 LEU  HB2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 207, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   15 LEU   HB2    15 LEU  QD2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 216, 217, 218,
 &end
#
#   15 LEU   HB2    15 LEU  QD1      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 212, 213, 214,
 &end
#
#   66 ASP   HB3    67 VAL  QG1      5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 972, 973, 974,
 &end
#
#   52 ARG   QD     53 GLN  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 765, 766,
 &end
#
#   49 ARG   QD     50 GLU  HA       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 719, 720,
 &end
#
#   49 ARG   HA     49 ARG  QD       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 719, 720,
 &end
#
#   49 ARG   QB     49 ARG  QD       3.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 713, 714,
 igr2= 719, 720,
 &end
#
#   49 ARG   QG     49 ARG  QD       2.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr1= 716, 717,
 igr2= 719, 720,
 &end
#
#   87 LYS   HG3    87 LYS  QE       2.67
 &rst
  ixpk= 0, nxpk= 0, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1325,1326,
 &end
#
#   52 ARG   HA     52 ARG  QD       4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 765, 766,
 &end
#
#   75 ARG   HA     75 ARG  HD2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   75 ARG   HB2    75 ARG  HD3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1117, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   75 ARG   HA     75 ARG  HD3      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1117, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   75 ARG   HN     75 ARG  HD3      4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1117, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   86 PHE   HN     86 PHE  HB2      3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1296, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 ASP   HN     74 ASP  HB2      3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1098, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   74 ASP   HB3    85 VAL  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1276, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   73 LYS   HA     74 ASP  HB3      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1099, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   71 LEU   HA     74 ASP  HB3      4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1099, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   72 LYS   HN     72 LYS  QE       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1063,1064,
 &end
#
#   69 MET   HA     72 LYS  QE       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1063,1064,
 &end
#
#   72 LYS   QD     72 LYS  QE       2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1060,1061,
 igr2=1063,1064,
 &end
#
#   71 LEU   QD1    72 LYS  QE       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1040,1041,1042,
 igr2=1063,1064,
 &end
#
#   68 LYS   HN     68 LYS  QE       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 995, 996,
 &end
#
#   65 ASP   HA     68 LYS  QE       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 995, 996,
 &end
#
#   98 LYS   QD     98 LYS  QE       2.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=1513,1514,
 igr2=1516,1517,
 &end
#
#   98 LYS   HG2    98 LYS  QE       3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1516,1517,
 &end
#
#   32 SER   HN     73 LYS  QE       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1085,1086,
 &end
#
#   73 LYS   HG3    73 LYS  QE       3.14
 &rst
  ixpk= 0, nxpk= 0, iat=1080,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=1085,1086,
 &end
#
#   31 LEU   QD1    73 LYS  QE       4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 462, 463, 464,
 igr2=1085,1086,
 &end
#
#   86 PHE   HN     86 PHE  HB3      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1297, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   74 ASP   HB3    75 ARG  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1106, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   98 LYS   HG3    98 LYS  QE       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1511,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1516,1517,
 &end
#
#   70 ALA   HA     73 LYS  QE       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1085,1086,
 &end
#
#   14 LYS   HE2    88 SER  HA       3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 194,1336, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   14 LYS   HE2    86 PHE  HE       4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1302,1306,
 &end
#
#   14 LYS   HE3    88 SER  HA       3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1336, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   14 LYS   HE3    86 PHE  HE       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 195,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1302,1306,
 &end
#
#   14 LYS   HE3    86 PHE  HB2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 195,1296, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   31 LEU   HA     73 LYS  QE       3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1085,1086,
 &end
#
#   26 ASP   HB2    27 VAL  HN       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 386, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   23 SER   HN     26 ASP  HB2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 378, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   97 LEU   HN     97 LEU  HB3      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1489, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   47 TYR   QB     48 THR  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 678, 679,
 &end
#
#   71 LEU   HB2    72 LYS  HN       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1035,1050, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   71 LEU   HB2    71 LEU  QD1      3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1040,1041,1042,
 &end
#
#   71 LEU   HB2    71 LEU  QD2      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1044,1045,1046,
 &end
#
#   97 LEU   HB2    97 LEU  QD2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=1488,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1497,1498,1499,
 &end
#
#   71 LEU   HN     71 LEU  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1031,1036, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   71 LEU   HB3    72 LYS  HN       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1050, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   97 LEU   HB3    97 LEU  QD1      3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1489,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1493,1494,1495,
 &end
#
#   97 LEU   HB3    98 LYS  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1489,1503, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   33 ASP   HB2    34 CYS  HN       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 495, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   18 LEU   HB3    18 LEU  QD1      3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 262, 263, 264,
 &end
#
#   29 ASN   HND1   30 PHE  HB2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 437, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   33 ASP   HN     33 ASP  HB2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   33 ASP   HB3    69 MET  QE       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1015,1016,1017,
 &end
#
#   94 ASP   HN     94 ASP  HB2      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1436, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#   94 ASP   HB2    95 TRP  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1444, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   91 THR   QG2    94 ASP  HB2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1=1392,1393,1394,
 &end
#
#   94 ASP   HN     94 ASP  HB3      3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1437, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   94 ASP   HB3    95 TRP  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   65 ASP   HN     65 ASP  HB2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 946, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   65 ASP   HB2    66 ASP  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 946, 954, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   63 SER   HB2    65 ASP  HB3      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 947, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   64 GLU   HB3    65 ASP  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU   HB2    31 LEU  QD2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 457,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 466, 467, 468,
 &end
#
#   31 LEU   HB3    34 CYS  HB2      4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 499, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   31 LEU   HB3    31 LEU  QD1      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 462, 463, 464,
 &end
#
#   45 PHE   HB2    46 ILE  HN       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 655, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   45 PHE   HN     45 PHE  HB2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 639, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   45 PHE   HN     45 PHE  HB3      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 640, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   38 ASP   HN     38 ASP  HB3      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 561, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   11 PHE   HB2    67 VAL  QG1      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 972, 973, 974,
 &end
#
#   11 PHE   HB2    61 LEU  QD1      4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 899, 900, 901,
 &end
#
#   38 ASP   HB2    41 ALA  HA       4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 587, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   11 PHE   HB3    61 LEU  HB3      4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 895, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   11 PHE   HB3    61 LEU  QD1      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 899, 900, 901,
 &end
#
#   11 PHE   HB3    67 VAL  QG1      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 972, 973, 974,
 &end
#
#   29 ASN   HN     29 ASN  HB2      3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#   26 ASP   HA     29 ASN  HB3      2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 424, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#   29 ASN   HB3    30 PHE  HB2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 437, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   44 HIS   HD2    60 GLU  HG2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 882, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   12 VAL   QG1    60 GLU  HG2      5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   QG2    60 GLU  HG2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 159, 160, 161,
 &end
#
#   60 GLU   HG2    93 MET  QE       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1426,1427,1428,
 &end
#
#   60 GLU   HN     60 GLU  HG3      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 883, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   60 GLU   HG3    93 MET  QE       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1426,1427,1428,
 &end
#
#   12 VAL   QG2    60 GLU  HG3      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 159, 160, 161,
 &end
#
#   60 GLU   HA     60 GLU  HG3      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 883, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   29 ASN   HB2    30 PHE  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 433, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   28 GLN   HG3    29 ASN  HB3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 424, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   36 ILE   HB     39 GLY  HA2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 570, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   30 PHE   HE     76 GLU  HG3      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 443, 447,
 &end
#
#   76 GLU   HA     76 GLU  HG2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1137, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   84 GLU   HA     84 GLU  HG2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1263,1268, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   76 GLU   HN     76 GLU  HG3      3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1138, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   24 VAL   QG1    25 GLU  HG2      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 349, 350, 351,
 &end
#
#   76 GLU   HG2    77 SER  HN       4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1145, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   73 LYS   HG3    76 GLU  HG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1137, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   76 GLU   HA     76 GLU  HG3      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1138, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   56 GLU   HG3    57 ALA  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 829, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   25 GLU   HA     25 GLU  HG2      3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 366, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   24 VAL   QG2    25 GLU  HG2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 353, 354, 355,
 &end
#
#   25 GLU   HN     25 GLU  HG2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 366, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   25 GLU   HN     25 GLU  HG3      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 367, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   25 GLU   HA     25 GLU  HG3      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 367, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   50 GLU   HN     50 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 GLU   HG2    96 VAL  QG1      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1474,1475,1476,
 &end
#
#   92 GLU   HG3    96 VAL  QG1      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1408,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1474,1475,1476,
 &end
#
#   50 GLU   HA     50 GLU  HG3      3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 741, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   58 PHE   HE     92 GLU  HG3      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1408, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 849, 853,
 &end
#
#   14 LYS   HB2    86 PHE  HB2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 185,1296, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   12 VAL   HB     89 HIS  HA       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 153,1347, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   12 VAL   HB     88 SER  HB3      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 153,1339, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   64 GLU   QG     65 ASP  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 934, 935,
 &end
#
#   11 PHE   HD     64 GLU  QG       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 137, 145,
 igr2= 934, 935,
 &end
#
#   64 GLU   QG     68 LYS  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 934, 935,
 &end
#
#   11 PHE   HE     64 GLU  QG       3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 139, 143,
 igr2= 934, 935,
 &end
#
#   64 GLU   HA     64 GLU  QG       3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 934, 935,
 &end
#
#   64 GLU   QG     68 LYS  QE       3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 934, 935,
 igr2= 995, 996,
 &end
#
#   64 GLU   HB2    64 GLU  QG       2.46
 &rst
  ixpk= 0, nxpk= 0, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
 igr2= 934, 935,
 &end
#
#   64 GLU   HB3    64 GLU  QG       2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 934, 935,
 &end
#
#   64 GLU   QG     68 LYS  QD       2.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr1= 934, 935,
 igr2= 992, 993,
 &end
#
#   64 GLU   QG     68 LYS  HG3      3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 990, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1= 934, 935,
 &end
#
#   64 GLU   QG     67 VAL  QG1      3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 934, 935,
 igr2= 972, 973, 974,
 &end
#
#   14 LYS   HB3    86 PHE  HB3      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 186,1297, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   14 LYS   HB3    58 PHE  HD       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 847, 855,
 &end
#
#    9 GLU   HN      9 GLU  HG2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 114, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   78 MET   HN     78 MET  HB2      4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1160, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   78 MET   HB2    83 ILE  QD1      4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1255,1256,1257,
 &end
#
#   78 MET   HB3    78 MET  QE       4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1167,1168,1169,
 &end
#
#   78 MET   HB3    83 ILE  QD1      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1255,1256,1257,
 &end
#
#   25 GLU   HA     28 GLN  HG2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 409, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   28 GLN   HA     28 GLN  HG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 409, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   24 VAL   QG2    28 GLN  HG2      5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 353, 354, 355,
 &end
#
#   28 GLN   HG2    36 ILE  QD1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 533, 534, 535,
 &end
#
#   28 GLN   HA     28 GLN  HG3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 410, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   28 GLN   HG3    36 ILE  QD1      4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 533, 534, 535,
 &end
#
#   85 VAL   HB     86 PHE  HA       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1294, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   90 ARG   HA     93 MET  HB3      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1420, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   74 ASP   HB2    85 VAL  HB       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1098,1280, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   74 ASP   HB3    85 VAL  HB       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1099,1280, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#    9 GLU   HG3    89 HIS  HB3      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 115,1350, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   87 LYS   HN     87 LYS  HB2      3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1316, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   87 LYS   HB3    87 LYS  QE       4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1325,1326,
 &end
#
#   87 LYS   HB3    88 SER  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1334, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#    9 GLU   HB2    89 HIS  HB3      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 111,1350, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   69 MET   HB3    69 MET  QG       2.84
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2=1011,1012,
 &end
#
#   87 LYS   HB2    88 SER  HN       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1334, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   87 LYS   HB2    87 LYS  QE       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1325,1326,
 &end
#
#   71 LEU   QD1    87 LYS  HB3      3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1040,1041,1042,
 &end
#
#   71 LEU   QD2    87 LYS  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1317, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1044,1045,1046,
 &end
#
#   98 LYS   HN     98 LYS  HB3      3.53
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1508, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   69 MET   HA     69 MET  QG       3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1011,1012,
 &end
#
#   69 MET   QG     70 ALA  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1011,1012,
 &end
#
#   66 ASP   HA     69 MET  HB2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 956,1008, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   42 GLY   HN     43 VAL  HB       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 606, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   98 LYS   HB3    98 LYS  QE       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1508,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1516,1517,
 &end
#
#   60 GLU   HN     60 GLU  HB3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 880, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   37 HIS   HB2    60 GLU  HB3      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 880, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   72 LYS   QB     74 ASP  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1054,1055,
 &end
#
#   68 LYS   HN     68 LYS  HB3      3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 987, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   68 LYS   HB3    68 LYS  QE       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 995, 996,
 &end
#
#   46 ILE   QD1    96 VAL  HB       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1472, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 668, 669, 670,
 &end
#
#   58 PHE   HB2    93 MET  HG2      4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 843,1422, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   61 LEU   QD1    67 VAL  HB       4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 899, 900, 901,
 &end
#
#   24 VAL   HN     24 VAL  HB       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 347, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   24 VAL   HB     28 GLN  HNE1     4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 414, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   95 TRP   HE3    96 VAL  HB       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1472, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   93 MET   HG2    97 LEU  QD2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1497,1498,1499,
 &end
#
#   93 MET   HG3    97 LEU  QD2      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1423,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1497,1498,1499,
 &end
#
#   93 MET   HG3    94 ASP  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1423,1432, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   78 MET   HG2    83 ILE  QD1      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1255,1256,1257,
 &end
#
#   27 VAL   HB     28 GLN  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 402, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   30 PHE   HD     78 MET  HG2      4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 441, 449,
 &end
#
#   30 PHE   HB2    78 MET  HG2      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 437,1163, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   34 CYS   HB2    35 THR  HN       4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   31 LEU   HB2    34 CYS  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 HIS   HB2    38 ASP  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 556, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   37 HIS   HB2    61 LEU  QD2      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 903, 904, 905,
 &end
#
#   31 LEU   HB2    34 CYS  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 500, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   34 CYS   HB3    61 LEU  QD2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 903, 904, 905,
 &end
#
#   87 LYS   HB2    87 LYS  QD       2.76
 &rst
  ixpk= 0, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2=1322,1323,
 &end
#
#   44 HIS   HB3    45 PHE  HN       4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 635, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   34 CYS   HB3    35 THR  HN       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 506, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   73 LYS   HA     76 GLU  QB       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1134,1135,
 &end
#
#   71 LEU   QD1    87 LYS  QD       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1040,1041,1042,
 igr2=1322,1323,
 &end
#
#   92 GLU   HA     95 TRP  HB2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1448, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   95 TRP   HB2    96 VAL  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1468, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   64 GLU   HB2    67 VAL  QG1      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 972, 973, 974,
 &end
#
#   63 SER   HB3    64 GLU  HB3      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 932, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   48 THR   QG2    49 ARG  QB       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 701, 702, 703,
 igr2= 713, 714,
 &end
#
#   87 LYS   HN     87 LYS  QD       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1322,1323,
 &end
#
#   90 ARG   HN     92 GLU  HB3      4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1405, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   68 LYS   HN     68 LYS  QD       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 992, 993,
 &end
#
#   65 ASP   HA     68 LYS  QD       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 992, 993,
 &end
#
#   72 LYS   QB     72 LYS  QD       2.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1=1054,1055,
 igr2=1060,1061,
 &end
#
#   75 ARG   HA     75 ARG  HG2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1113, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   95 TRP   HN     95 TRP  HB2      3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1448, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   95 TRP   HB2    95 TRP  HE3      4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1463, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   95 TRP   HB2    96 VAL  QG1      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1474,1475,1476,
 &end
#
#   94 ASP   HN     95 TRP  HB3      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1449, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   28 GLN   HB2    28 GLN  HNE2     4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 415, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   25 GLU   HA     28 GLN  HB2      5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 406, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   64 GLU   HN     64 GLU  HB2      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 931, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   11 PHE   HE     64 GLU  HB2      3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 139, 143,
 &end
#
#   28 GLN   HB3    28 GLN  HNE1     4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 414, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   64 GLU   HN     64 GLU  HB3      3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 932, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   11 PHE   HE     64 GLU  HB3      3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 139, 143,
 &end
#
#   72 LYS   HG3    72 LYS  QD       2.79
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2=1060,1061,
 &end
#
#   75 ARG   HN     75 ARG  HG2      4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1113, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   94 ASP   HN     95 TRP  HB2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1448, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   25 GLU   HB3    29 ASN  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 419, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   98 LYS   HB2    98 LYS  QD       3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1513,1514,
 &end
#
#   98 LYS   HN     98 LYS  QD       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1503,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1513,1514,
 &end
#
#   98 LYS   HA     98 LYS  QD       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1505,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1513,1514,
 &end
#
#   14 LYS   HD2    86 PHE  HE       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1302,1306,
 &end
#
#   25 GLU   HN     25 GLU  HB2      3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   25 GLU   HN     25 GLU  HB3      3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   25 GLU   HB3    26 ASP  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 374, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   15 LEU   HN     15 LEU  HG       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 210, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   15 LEU   HG     83 ILE  QG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1248,1249,1250,
 &end
#
#   72 LYS   HN     73 LYS  HD2      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1082, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   31 LEU   QD1    73 LYS  HD2      4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 462, 463, 464,
 &end
#
#   73 LYS   HN     73 LYS  HD2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1082, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   30 PHE   HE     73 LYS  HD2      4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 443, 447,
 &end
#
#   73 LYS   HD3    74 ASP  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1094, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   30 PHE   HE     73 LYS  HD3      5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 443, 447,
 &end
#
#   61 LEU   QD1    62 GLY  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 899, 900, 901,
 &end
#
#   61 LEU   HA     61 LEU  QD1      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 899, 900, 901,
 &end
#
#   61 LEU   QD1    66 ASP  HB2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 899, 900, 901,
 &end
#
#   36 ILE   HN     36 ILE  QG1      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 530, 531,
 &end
#
#   35 THR   HA     36 ILE  QG1      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 530, 531,
 &end
#
#   31 LEU   HA     73 LYS  HD2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 455,1082, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   70 ALA   HA     73 LYS  HD2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1082, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   73 LYS   HN     73 LYS  HD3      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1083, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   70 ALA   HA     73 LYS  HD3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1083, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   73 LYS   QB     73 LYS  HD3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1076,1077,
 &end
#
#   12 VAL   HA     61 LEU  QD1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 899, 900, 901,
 &end
#
#   13 VAL   HB     61 LEU  QD1      4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 899, 900, 901,
 &end
#
#   61 LEU   QD1    70 ALA  QB       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 899, 900, 901,
 igr2=1025,1026,1027,
 &end
#
#   61 LEU   QD1    67 VAL  QG1      3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 899, 900, 901,
 igr2= 972, 973, 974,
 &end
#
#   13 VAL   QG1    61 LEU  QD1      2.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 171, 172, 173,
 igr2= 899, 900, 901,
 &end
#
#   78 MET   HN     83 ILE  HG13     4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 ILE   HN     46 ILE  HG12     4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 665, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   46 ILE   HG12   58 PHE  HE       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 849, 853,
 &end
#
#   49 ARG   HA     49 ARG  QG       3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 716, 717,
 &end
#
#   46 ILE   HG12   58 PHE  HD       4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 847, 855,
 &end
#
#   97 LEU   HN     97 LEU  HG       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1491, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   49 ARG   QG     50 GLU  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 716, 717,
 &end
#
#   49 ARG   QB     49 ARG  QG       2.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1= 713, 714,
 igr2= 716, 717,
 &end
#
#   48 THR   HB     49 ARG  QG       3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 716, 717,
 &end
#
#   81 ARG   QG     83 ILE  QD1      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1=1204,1205,
 igr2=1255,1256,1257,
 &end
#
#   30 PHE   HE     31 LEU  HG       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 443, 447,
 &end
#
#   61 LEU   HG     62 GLY  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 897, 909, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   58 PHE   HZ     97 LEU  QD2      4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1497,1498,1499,
 &end
#
#   71 LEU   QD1    87 LYS  HG2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1040,1041,1042,
 &end
#
#   71 LEU   QD1    87 LYS  HG3      3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1040,1041,1042,
 &end
#
#   71 LEU   QD1    87 LYS  QE       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1040,1041,1042,
 igr2=1325,1326,
 &end
#
#   15 LEU   QD1    30 PHE  HD       4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 212, 213, 214,
 igr2= 441, 449,
 &end
#
#   15 LEU   HA     15 LEU  QD1      3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 212, 213, 214,
 &end
#
#   15 LEU   QD1    85 VAL  HA       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1278, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 212, 213, 214,
 &end
#
#   45 PHE   HA     97 LEU  QD2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1497,1498,1499,
 &end
#
#   44 HIS   HB2    97 LEU  QD2      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1497,1498,1499,
 &end
#
#   87 LYS   HN     87 LYS  HG2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1319, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   87 LYS   HG2    88 SER  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1334, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   87 LYS   HN     87 LYS  HG3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1320, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   87 LYS   HG3    88 SER  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1320,1334, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   71 LEU   QD1    87 LYS  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1040,1041,1042,
 &end
#
#   71 LEU   HN     71 LEU  QD1      3.57
 &rst
  ixpk= 0, nxpk= 0, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1040,1041,1042,
 &end
#
#   71 LEU   QD1    72 LYS  HN       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1040,1041,1042,
 &end
#
#   68 LYS   HN     71 LEU  QD1      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1040,1041,1042,
 &end
#
#   68 LYS   HA     71 LEU  QD1      3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1040,1041,1042,
 &end
#
#   67 VAL   HA     71 LEU  QD1      5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1040,1041,1042,
 &end
#
#   15 LEU   HN     15 LEU  QD1      4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 212, 213, 214,
 &end
#
#   97 LEU   HN     97 LEU  QD2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1497,1498,1499,
 &end
#
#   97 LEU   HA     97 LEU  QD2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1497,1498,1499,
 &end
#
#   58 PHE   HB3    97 LEU  QD2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1497,1498,1499,
 &end
#
#   68 LYS   HG2    68 LYS  QE       3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 995, 996,
 &end
#
#   68 LYS   HN     68 LYS  HG3      3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 990, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   68 LYS   HG3    68 LYS  QE       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 995, 996,
 &end
#
#   72 LYS   HN     72 LYS  HG2      3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1057, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   72 LYS   HG2    72 LYS  QE       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1063,1064,
 &end
#
#   64 GLU   QG     68 LYS  HG2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 934, 935,
 &end
#
#   72 LYS   HN     72 LYS  HG3      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1058, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   72 LYS   HG3    72 LYS  QE       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1063,1064,
 &end
#
#   65 ASP   HA     68 LYS  HG3      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 990, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   68 LYS   HG3    71 LEU  QD1      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1040,1041,1042,
 &end
#
#   13 VAL   HB     14 LYS  HG2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 188, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#   69 MET   HA     72 LYS  HG2      3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1057, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   15 LEU   QD2    30 PHE  HD       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 216, 217, 218,
 igr2= 441, 449,
 &end
#
#   15 LEU   HA     15 LEU  QD2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 216, 217, 218,
 &end
#
#   15 LEU   QD2    16 ARG  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 216, 217, 218,
 &end
#
#   15 LEU   HN     15 LEU  QD2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 216, 217, 218,
 &end
#
#   98 LYS   HA     98 LYS  HG2      3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1510, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   61 LEU   HN     61 LEU  QD2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 903, 904, 905,
 &end
#
#   61 LEU   HA     61 LEU  QD2      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 903, 904, 905,
 &end
#
#   73 LYS   HA     73 LYS  HG2      3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1079, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   70 ALA   HA     73 LYS  HG2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1079, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   73 LYS   HN     73 LYS  HG3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1080, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   61 LEU   QD2    62 GLY  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 903, 904, 905,
 &end
#
#   34 CYS   HB2    61 LEU  QD2      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 903, 904, 905,
 &end
#
#   73 LYS   HN     73 LYS  HG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   73 LYS   HG2    76 GLU  HG2      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1137, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   96 VAL   HN     96 VAL  QG1      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1474,1475,1476,
 &end
#
#   92 GLU   HA     96 VAL  QG1      4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1474,1475,1476,
 &end
#
#   96 VAL   HA     96 VAL  QG1      3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1470,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1474,1475,1476,
 &end
#
#   95 TRP   HB3    96 VAL  QG1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1474,1475,1476,
 &end
#
#   92 GLU   HB3    96 VAL  QG1      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1405,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1474,1475,1476,
 &end
#
#   46 ILE   QD1    96 VAL  QG1      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 668, 669, 670,
 igr2=1474,1475,1476,
 &end
#
#   96 VAL   QG1    97 LEU  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1474,1475,1476,
 &end
#
#   67 VAL   QG1    68 LYS  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 972, 973, 974,
 &end
#
#   67 VAL   HA     67 VAL  QG1      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 972, 973, 974,
 &end
#
#   27 VAL   HA     27 VAL  QG1      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 392, 393, 394,
 &end
#
#   18 LEU   HN     18 LEU  QD2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 266, 267, 268,
 &end
#
#   18 LEU   HA     18 LEU  QD2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 266, 267, 268,
 &end
#
#   11 PHE   HN     67 VAL  QG1      4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 972, 973, 974,
 &end
#
#   67 VAL   HN     67 VAL  QG1      3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 972, 973, 974,
 &end
#
#   26 ASP   HA     27 VAL  QG1      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 392, 393, 394,
 &end
#
#   27 VAL   QG1    43 VAL  QG2      3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 392, 393, 394,
 igr2= 612, 613, 614,
 &end
#
#   24 VAL   QG1    45 PHE  HE       3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 349, 350, 351,
 igr2= 645, 649,
 &end
#
#   12 VAL   QG1    89 HIS  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   QG1    59 VAL  HN       4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   QG1    13 VAL  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   QG1    58 PHE  HA       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   QG1    88 SER  HB2      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   QG1    88 SER  HB3      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   QG1    58 PHE  HB3      4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   QG1    60 GLU  HG3      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   HN     12 VAL  QG1      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 155, 156, 157,
 &end
#
#   12 VAL   QG1    58 PHE  HE       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 155, 156, 157,
 igr2= 849, 853,
 &end
#
#   12 VAL   QG1    58 PHE  HD       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 155, 156, 157,
 igr2= 847, 855,
 &end
#
#   12 VAL   HA     12 VAL  QG1      3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 155, 156, 157,
 &end
#
#   12 VAL   QG1    58 PHE  HB2      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 155, 156, 157,
 &end
#
#   45 PHE   HB3    97 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1493,1494,1495,
 &end
#
#   43 VAL   QG2    57 ALA  QB       4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 612, 613, 614,
 igr2= 833, 834, 835,
 &end
#
#   44 HIS   HN     57 ALA  QB       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 833, 834, 835,
 &end
#
#   31 LEU   HB3    31 LEU  QD2      2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 466, 467, 468,
 &end
#
#   43 VAL   QG2    59 VAL  QG1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 612, 613, 614,
 igr2= 865, 866, 867,
 &end
#
#   24 VAL   HN     24 VAL  QG1      3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 349, 350, 351,
 &end
#
#   24 VAL   HA     24 VAL  QG1      2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 349, 350, 351,
 &end
#
#   24 VAL   QG1    43 VAL  HB       3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 349, 350, 351,
 &end
#
#   24 VAL   QG1    43 VAL  QG2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 349, 350, 351,
 igr2= 612, 613, 614,
 &end
#
#   45 PHE   HN     97 LEU  QD1      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1493,1494,1495,
 &end
#
#   46 ILE   HA     97 LEU  QD1      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1493,1494,1495,
 &end
#
#   44 HIS   HB3    97 LEU  QD1      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1493,1494,1495,
 &end
#
#   57 ALA   QB     58 PHE  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 833, 834, 835,
 &end
#
#   46 ILE   HN     57 ALA  QB       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 833, 834, 835,
 &end
#
#   13 VAL   QG1    14 LYS  HN       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 171, 172, 173,
 &end
#
#   13 VAL   QG1    88 SER  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 171, 172, 173,
 &end
#
#   13 VAL   HA     13 VAL  QG1      3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 171, 172, 173,
 &end
#
#   31 LEU   HN     31 LEU  QD1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 462, 463, 464,
 &end
#
#   71 LEU   HN     71 LEU  QD2      3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1044,1045,1046,
 &end
#
#   71 LEU   QD2    72 LYS  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1044,1045,1046,
 &end
#
#   71 LEU   QD2    86 PHE  HA       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1044,1045,1046,
 &end
#
#   71 LEU   HA     71 LEU  QD2      2.82
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2=1044,1045,1046,
 &end
#
#   71 LEU   QD2    87 LYS  HB2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1044,1045,1046,
 &end
#
#   27 VAL   QG2    28 GLN  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 396, 397, 398,
 &end
#
#   27 VAL   QG2    28 GLN  HA       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 396, 397, 398,
 &end
#
#   27 VAL   QG2    43 VAL  QG2      3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 396, 397, 398,
 igr2= 612, 613, 614,
 &end
#
#   91 THR   HN     91 THR  QG2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1392,1393,1394,
 &end
#
#   91 THR   QG2    93 MET  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1392,1393,1394,
 &end
#
#   91 THR   QG2    95 TRP  HB3      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1449, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1392,1393,1394,
 &end
#
#   13 VAL   HN     13 VAL  QG1      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 171, 172, 173,
 &end
#
#   91 THR   QG2    94 ASP  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1432, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1392,1393,1394,
 &end
#
#   91 THR   QG2    92 GLU  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1=1392,1393,1394,
 &end
#
#   91 THR   HA     91 THR  QG2      3.01
 &rst
  ixpk= 0, nxpk= 0, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1392,1393,1394,
 &end
#
#   12 VAL   HN     12 VAL  QG2      3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 159, 160, 161,
 &end
#
#   12 VAL   QG2    60 GLU  HA       3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 159, 160, 161,
 &end
#
#   47 TYR   HA     48 THR  QG2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 701, 702, 703,
 &end
#
#   48 THR   HN     48 THR  QG2      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 701, 702, 703,
 &end
#
#   96 VAL   HA     96 VAL  QG2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1470,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1478,1479,1480,
 &end
#
#   46 ILE   QG2    96 VAL  QG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 661, 662, 663,
 igr2=1478,1479,1480,
 &end
#
#   12 VAL   QG2    61 LEU  HN       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 159, 160, 161,
 &end
#
#   12 VAL   QG2    13 VAL  HN       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 159, 160, 161,
 &end
#
#   12 VAL   HA     12 VAL  QG2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 159, 160, 161,
 &end
#
#   12 VAL   QG2    90 ARG  HA       3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1364, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 159, 160, 161,
 &end
#
#   35 THR   QG2    36 ILE  HN       3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 512, 513, 514,
 &end
#
#   96 VAL   QG2   100 SER  HA       3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1=1478,1479,1480,
 &end
#
#   24 VAL   QG1    43 VAL  QG1      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 349, 350, 351,
 igr2= 608, 609, 610,
 &end
#
#   59 VAL   HA     59 VAL  QG2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 869, 870, 871,
 &end
#
#   15 LEU   HG     59 VAL  QG2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 869, 870, 871,
 &end
#
#   43 VAL   QG2    59 VAL  QG2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 612, 613, 614,
 igr2= 869, 870, 871,
 &end
#
#   35 THR   HN     35 THR  QG2      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 512, 513, 514,
 &end
#
#   35 THR   QG2    62 GLY  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 512, 513, 514,
 &end
#
#   35 THR   HA     35 THR  QG2      2.75
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 512, 513, 514,
 &end
#
#   24 VAL   HN     24 VAL  QG2      3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 353, 354, 355,
 &end
#
#   24 VAL   QG2    25 GLU  HN       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 353, 354, 355,
 &end
#
#   24 VAL   QG2    28 GLN  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 353, 354, 355,
 &end
#
#   24 VAL   QG2    25 GLU  HA       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 353, 354, 355,
 &end
#
#   24 VAL   QG2    40 ALA  HA       2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 353, 354, 355,
 &end
#
#   24 VAL   QG2    43 VAL  HB       3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 353, 354, 355,
 &end
#
#   24 VAL   QG2    40 ALA  QB       3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 353, 354, 355,
 igr2= 579, 580, 581,
 &end
#
#   24 VAL   QG2    43 VAL  QG1      3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 353, 354, 355,
 igr2= 608, 609, 610,
 &end
#
#   24 VAL   QG2    43 VAL  QG2      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 353, 354, 355,
 igr2= 612, 613, 614,
 &end
#
#   67 VAL   QG2    88 SER  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 976, 977, 978,
 &end
#
#   67 VAL   QG2    68 LYS  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 976, 977, 978,
 &end
#
#   67 VAL   HN     67 VAL  QG2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 976, 977, 978,
 &end
#
#   11 PHE   HD     67 VAL  QG2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 137, 145,
 igr2= 976, 977, 978,
 &end
#
#   13 VAL   HA     67 VAL  QG2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 976, 977, 978,
 &end
#
#   67 VAL   QG2    87 LYS  HA       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 976, 977, 978,
 &end
#
#   67 VAL   QG2    68 LYS  HA       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 976, 977, 978,
 &end
#
#   67 VAL   HA     67 VAL  QG2      3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 976, 977, 978,
 &end
#
#   67 VAL   QG2    87 LYS  QE       3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 976, 977, 978,
 igr2=1325,1326,
 &end
#
#   67 VAL   QG2    71 LEU  QD2      3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 976, 977, 978,
 igr2=1044,1045,1046,
 &end
#
#   43 VAL   QG1    44 HIS  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 608, 609, 610,
 &end
#
#   43 VAL   HN     43 VAL  QG1      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 608, 609, 610,
 &end
#
#   43 VAL   HA     43 VAL  QG1      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 608, 609, 610,
 &end
#
#   30 PHE   HE     85 VAL  QG1      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 443, 447,
 igr2=1282,1283,1284,
 &end
#
#   58 PHE   HA     59 VAL  QG2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 869, 870, 871,
 &end
#
#   85 VAL   HN     85 VAL  QG1      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1282,1283,1284,
 &end
#
#   71 LEU   HA     85 VAL  QG1      3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1282,1283,1284,
 &end
#
#   13 VAL   HB     85 VAL  QG1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1282,1283,1284,
 &end
#
#   71 LEU   HN     85 VAL  QG1      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1282,1283,1284,
 &end
#
#   85 VAL   HA     85 VAL  QG1      3.57
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1282,1283,1284,
 &end
#
#   74 ASP   HB3    85 VAL  QG1      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1282,1283,1284,
 &end
#
#   70 ALA   QB     85 VAL  QG1      3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1025,1026,1027,
 igr2=1282,1283,1284,
 &end
#
#   13 VAL   QG1    85 VAL  QG1      2.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 171, 172, 173,
 igr2=1282,1283,1284,
 &end
#
#   85 VAL   QG1    86 PHE  HA       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1282,1283,1284,
 &end
#
#   30 PHE   HE     85 VAL  QG2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 443, 447,
 igr2=1286,1287,1288,
 &end
#
#   15 LEU   HA     85 VAL  QG2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1286,1287,1288,
 &end
#
#   85 VAL   HA     85 VAL  QG2      3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1286,1287,1288,
 &end
#
#   74 ASP   HA     85 VAL  QG2      3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1096,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1286,1287,1288,
 &end
#
#   73 LYS   QB     85 VAL  QG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1076,1077,
 igr2=1286,1287,1288,
 &end
#
#   75 ARG   HN     85 VAL  QG2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1106,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1286,1287,1288,
 &end
#
#   85 VAL   QG2    86 PHE  HN       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1286,1287,1288,
 &end
#
#   85 VAL   HN     85 VAL  QG2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1286,1287,1288,
 &end
#
#   73 LYS   HA     85 VAL  QG2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2=1286,1287,1288,
 &end
#
#   74 ASP   HB2    85 VAL  QG2      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1286,1287,1288,
 &end
#
#   74 ASP   HB3    85 VAL  QG2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1286,1287,1288,
 &end
#
#   83 ILE   QG2    85 VAL  QG2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1248,1249,1250,
 igr2=1286,1287,1288,
 &end
#
#   40 ALA   HN     40 ALA  QB       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 579, 580, 581,
 &end
#
#   70 ALA   HN     70 ALA  QB       3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1025,1026,1027,
 &end
#
#   67 VAL   HA     70 ALA  QB       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1025,1026,1027,
 &end
#
#   40 ALA   QB     42 GLY  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 579, 580, 581,
 &end
#
#   69 MET   HN     70 ALA  QB       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1025,1026,1027,
 &end
#
#   40 ALA   QB     41 ALA  HN       3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 579, 580, 581,
 &end
#
#   28 GLN   HNE2   40 ALA  QB       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 579, 580, 581,
 &end
#
#   41 ALA   HN     41 ALA  QB       2.78
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 589, 590, 591,
 &end
#
#   38 ASP   HB2    41 ALA  QB       3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 589, 590, 591,
 &end
#
#   38 ASP   HB3    41 ALA  QB       3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 589, 590, 591,
 &end
#
#   13 VAL   QG2    88 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 175, 176, 177,
 &end
#
#   13 VAL   QG2    59 VAL  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 175, 176, 177,
 &end
#
#   13 VAL   HA     13 VAL  QG2      3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 175, 176, 177,
 &end
#
#   13 VAL   QG2    87 LYS  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 175, 176, 177,
 &end
#
#   13 VAL   QG2    70 ALA  HA       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 175, 176, 177,
 &end
#
#   13 VAL   QG2    67 VAL  HA       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 175, 176, 177,
 &end
#
#   13 VAL   QG2    59 VAL  HB       3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 175, 176, 177,
 &end
#
#   13 VAL   QG2    70 ALA  QB       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 175, 176, 177,
 igr2=1025,1026,1027,
 &end
#
#   36 ILE   QG2    43 VAL  QG2      4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1= 526, 527, 528,
 igr2= 612, 613, 614,
 &end
#
#   28 GLN   HA     36 ILE  QG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 526, 527, 528,
 &end
#
#   46 ILE   HN     46 ILE  QG2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 661, 662, 663,
 &end
#
#   46 ILE   QG2    47 TYR  HN       3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 661, 662, 663,
 &end
#
#   46 ILE   QG2   100 SER  HB3      3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1547, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 661, 662, 663,
 &end
#
#   46 ILE   QG2    47 TYR  QB       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 661, 662, 663,
 igr2= 678, 679,
 &end
#
#   46 ILE   QG2    96 VAL  HB       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1472, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 661, 662, 663,
 &end
#
#   30 PHE   HD     83 ILE  QG2      5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 441, 449,
 igr2=1248,1249,1250,
 &end
#
#   83 ILE   HN     83 ILE  QG2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1248,1249,1250,
 &end
#
#   83 ILE   QG2    84 GLU  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1248,1249,1250,
 &end
#
#   15 LEU   HA     83 ILE  QG2      4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1248,1249,1250,
 &end
#
#   83 ILE   QG2    84 GLU  HA       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1248,1249,1250,
 &end
#
#   83 ILE   HA     83 ILE  QG2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1248,1249,1250,
 &end
#
#   15 LEU   QD2    83 ILE  QG2      3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 216, 217, 218,
 igr2=1248,1249,1250,
 &end
#
#   83 ILE   QG2    83 ILE  QD1      3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1248,1249,1250,
 igr2=1255,1256,1257,
 &end
#
#   69 MET   HN     69 MET  QE       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1015,1016,1017,
 &end
#
#   69 MET   QG     69 MET  QE       3.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1011,1012,
 igr2=1015,1016,1017,
 &end
#
#   93 MET   QE     94 ASP  HN       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1432, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1426,1427,1428,
 &end
#
#   44 HIS   HD2    93 MET  QE       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1426,1427,1428,
 &end
#
#   93 MET   QE     94 ASP  HA       3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1434, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1426,1427,1428,
 &end
#
#   90 ARG   HA     93 MET  QE       3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1426,1427,1428,
 &end
#
#   93 MET   QE     94 ASP  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1426,1427,1428,
 &end
#
#   93 MET   HB3    93 MET  QE       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1426,1427,1428,
 &end
#
#   12 VAL   QG1    93 MET  QE       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 155, 156, 157,
 igr2=1426,1427,1428,
 &end
#
#   12 VAL   QG2    93 MET  QE       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 159, 160, 161,
 igr2=1426,1427,1428,
 &end
#
#   36 ILE   QG2    60 GLU  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 526, 527, 528,
 &end
#
#   36 ILE   QG2    37 HIS  HB3      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 526, 527, 528,
 &end
#
#   36 ILE   HN     36 ILE  QG2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 526, 527, 528,
 &end
#
#   36 ILE   QG2    42 GLY  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 526, 527, 528,
 &end
#
#   36 ILE   QG2    39 GLY  HN       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 526, 527, 528,
 &end
#
#   36 ILE   QG2    61 LEU  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 526, 527, 528,
 &end
#
#   36 ILE   QG2    37 HIS  HB2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 526, 527, 528,
 &end
#
#   36 ILE   QG2    59 VAL  QG1      3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 526, 527, 528,
 igr2= 865, 866, 867,
 &end
#
#   36 ILE   QG2    36 ILE  QD1      3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 526, 527, 528,
 igr2= 533, 534, 535,
 &end
#
#   46 ILE   QG2    47 TYR  HA       4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 676, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 661, 662, 663,
 &end
#
#   29 ASN   HN     78 MET  QE       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1167,1168,1169,
 &end
#
#   30 PHE   HN     78 MET  QE       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1167,1168,1169,
 &end
#
#   29 ASN   HND1   78 MET  QE       4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1167,1168,1169,
 &end
#
#   30 PHE   HD     78 MET  QE       3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 441, 449,
 igr2=1167,1168,1169,
 &end
#
#   30 PHE   HA     78 MET  QE       3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1167,1168,1169,
 &end
#
#   30 PHE   HB2    78 MET  QE       2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1167,1168,1169,
 &end
#
#   30 PHE   HB3    78 MET  QE       3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1167,1168,1169,
 &end
#
#   78 MET   HG2    78 MET  QE       3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1167,1168,1169,
 &end
#
#   78 MET   HG3    78 MET  QE       3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1167,1168,1169,
 &end
#
#   27 VAL   HN     78 MET  QE       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1167,1168,1169,
 &end
#
#   26 ASP   HB3    78 MET  QE       3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1167,1168,1169,
 &end
#
#   78 MET   QE     83 ILE  QG2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1167,1168,1169,
 igr2=1248,1249,1250,
 &end
#
#   78 MET   QE     83 ILE  QD1      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=1167,1168,1169,
 igr2=1255,1256,1257,
 &end
#
#   28 GLN   HNE2   36 ILE  QD1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 533, 534, 535,
 &end
#
#   35 THR   HA     36 ILE  QD1      3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 533, 534, 535,
 &end
#
#   28 GLN   HA     36 ILE  QD1      3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 533, 534, 535,
 &end
#
#   28 GLN   HB3    36 ILE  QD1      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 533, 534, 535,
 &end
#
#   28 GLN   HN     36 ILE  QD1      4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 533, 534, 535,
 &end
#
#   36 ILE   QD1    39 GLY  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 533, 534, 535,
 &end
#
#   28 GLN   HNE1   36 ILE  QD1      4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 533, 534, 535,
 &end
#
#   28 GLN   HB2    36 ILE  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 533, 534, 535,
 &end
#
#   36 ILE   QD1    43 VAL  QG2      5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 533, 534, 535,
 igr2= 612, 613, 614,
 &end
#
#   46 ILE   HB     46 ILE  QD1      3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 668, 669, 670,
 &end
#
#   46 ILE   HN     46 ILE  QD1      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 668, 669, 670,
 &end
#
#   83 ILE   QD1    84 GLU  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=1255,1256,1257,
 &end
#
#   78 MET   HN     83 ILE  QD1      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1255,1256,1257,
 &end
#
#   83 ILE   HA     83 ILE  QD1      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1255,1256,1257,
 &end
#
#   18 LEU   HA     83 ILE  QD1      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1255,1256,1257,
 &end
#
#   83 ILE   HB     83 ILE  QD1      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1255,1256,1257,
 &end
#
#   37 HIS   HN     38 ASP  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 556, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   37 HIS   HN     61 LEU  HA       3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 892, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#   36 ILE   HA     37 HIS  HN       3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 539, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   37 HIS   HN     37 HIS  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   37 HIS   HN     37 HIS  HB3      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 544, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   36 ILE   HB     37 HIS  HN       5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 539, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   36 ILE   QG2    37 HIS  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 526, 527, 528,
 &end
#
#   37 HIS   HN     61 LEU  QD2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 903, 904, 905,
 &end
#
#   37 HIS   HN     61 LEU  HB2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 894, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   47 TYR   HN     47 TYR  HD       4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 682, 691,
 &end
#
#   47 TYR   HN     47 TYR  QB       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 678, 679,
 &end
#
#   46 ILE   QD1    47 TYR  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 668, 669, 670,
 &end
#
#   35 THR   HA     36 ILE  HN       2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   36 ILE   HN     36 ILE  QD1      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 533, 534, 535,
 &end
#
#   47 TYR   HN     48 THR  HA       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 697, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   36 ILE   HN     36 ILE  HB       3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 524, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   59 VAL   HA     60 GLU  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 875, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   60 GLU   HN     60 GLU  HG2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 882, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   59 VAL   HB     60 GLU  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   59 VAL   QG1    60 GLU  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 865, 866, 867,
 &end
#
#   28 GLN   HNE2   40 ALA  HN       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 575, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   40 ALA   HN     41 ALA  HA       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 587, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   39 GLY   HA2    40 ALA  HN       3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 575, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#   39 GLY   HA3    40 ALA  HN       3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 575, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   24 VAL   QG2    40 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 353, 354, 355,
 &end
#
#   84 GLU   HN     84 GLU  HG2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1261,1268, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   83 ILE   HN     83 ILE  HG12     4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1242,1252, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   83 ILE   HN     83 ILE  QD1      5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1255,1256,1257,
 &end
#
#   82 TYR   HB3    83 ILE  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1242, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   83 ILE   HN     83 ILE  HG13     5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1242,1253, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   15 LEU   HN     57 ALA  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 829, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   14 LYS   HB2    15 LEU  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 203, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   44 HIS   HN     58 PHE  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 839, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   14 LYS   HA     15 LEU  HN       3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 203, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   43 VAL   HA     44 HIS  HN       3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 618, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#   44 HIS   HN     44 HIS  HB2      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 622, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   44 HIS   HN     44 HIS  HB3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   43 VAL   HB     44 HIS  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 618, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   44 HIS   HN     59 VAL  QG2      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 869, 870, 871,
 &end
#
#   43 VAL   QG2    44 HIS  HN       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 612, 613, 614,
 &end
#
#   15 LEU   HN     16 ARG  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 224, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   44 HIS   HN     45 PHE  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 635, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   60 GLU   HA     61 LEU  HN       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 890, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   11 PHE   HB2    61 LEU  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 890, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   60 GLU   HB3    61 LEU  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 880, 890, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   61 LEU   HN     61 LEU  HG       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 897, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   61 LEU   HN     61 LEU  HB3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 895, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   61 LEU   HN     61 LEU  QD1      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 899, 900, 901,
 &end
#
#   45 PHE   HN     45 PHE  HD       4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 643, 651,
 &end
#
#   44 HIS   HB2    45 PHE  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 635, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   45 PHE   HN     97 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1497,1498,1499,
 &end
#
#   11 PHE   HD     12 VAL  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 137, 145,
 &end
#
#   11 PHE   HB2    12 VAL  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 149, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   12 VAL   HN     67 VAL  QG1      4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 972, 973, 974,
 &end
#
#   89 HIS   HB2    90 ARG  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1362, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   12 VAL   HN     12 VAL  HB       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 153, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   87 LYS   HN     88 SER  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1334, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   86 PHE   HB2    87 LYS  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1296,1312, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   87 LYS   HN     87 LYS  HB3      3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1312,1317, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   71 LEU   QD2    87 LYS  HN       4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1044,1045,1046,
 &end
#
#   88 SER   HB3    90 ARG  HN       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1362, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   12 VAL   HB     90 ARG  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 153,1362, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   69 MET   HN     70 ALA  HN       3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1021, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   70 ALA   HN     72 LYS  HN       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1050, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   67 VAL   HA     70 ALA  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 968,1021, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   69 MET   HB2    70 ALA  HN       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1021, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   69 MET   HB3    70 ALA  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1021, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   13 VAL   QG1    70 ALA  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 171, 172, 173,
 &end
#
#   86 PHE   HD     87 LYS  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1300,1308,
 &end
#
#   78 MET   HN     83 ILE  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1242, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   78 MET   HN     78 MET  HG3      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1164, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   77 SER   HA     78 MET  HN       3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1147,1156, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   77 SER   QB     78 MET  HN       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1149,1150,
 &end
#
#   78 MET   HN     78 MET  HG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1163, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   78 MET   HN     83 ILE  HG12     5.47
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1252, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   91 THR   HN     92 GLU  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1386,1400, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   89 HIS   HB2    92 GLU  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1400, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   92 GLU   HN     92 GLU  HG3      4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1408, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   92 GLU   HN     92 GLU  HB3      3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1405, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   14 LYS   HN     88 SER  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 181,1334, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   14 LYS   HN     86 PHE  HD       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1300,1308,
 &end
#
#   13 VAL   HA     14 LYS  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 181, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   14 LYS   HN     87 LYS  HA       4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 181,1314, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   14 LYS   HN     88 SER  HB2      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 181,1338, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   13 VAL   HB     14 LYS  HN       3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 181, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   14 LYS   HN     14 LYS  HB2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 185, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   14 LYS   HN     14 LYS  HB3      4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 186, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   14 LYS   HN     14 LYS  HG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 188, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   14 LYS   HN     85 VAL  QG1      3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 181,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1282,1283,1284,
 &end
#
#   53 GLN   HN     53 GLN  HB3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 784, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   52 ARG   HB2    53 GLN  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 779, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   78 MET   HN     79 GLY  HA2      5.43
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1175, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   29 ASN   HN     30 PHE  HN       3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 433, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   30 PHE   HN     31 LEU  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 453, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   30 PHE   HN     30 PHE  HB2      3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   30 PHE   HN     30 PHE  HB3      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 438, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   29 ASN   HB3    30 PHE  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 433, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   14 LYS   HB3    86 PHE  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 186,1292, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   13 VAL   HB     86 PHE  HN       5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 169,1292, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   74 ASP   HA     85 VAL  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1276, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   86 PHE   HN     86 PHE  HD       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1300,1308,
 &end
#
#   13 VAL   HA     86 PHE  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 167,1292, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   14 LYS   HB2    86 PHE  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 185,1292, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   85 VAL   QG1    86 PHE  HN       3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1282,1283,1284,
 &end
#
#   74 ASP   HB2    85 VAL  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1098,1276, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   35 THR   HN     63 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 THR   HN     36 ILE  QG1      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 530, 531,
 &end
#
#   35 THR   HN     36 ILE  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 520, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   34 CYS   HA     35 THR  HN       3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 506, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   35 THR   HN     35 THR  HB       3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 510, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   35 THR   HN     61 LEU  QD2      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 903, 904, 905,
 &end
#
#   13 VAL   HA     88 SER  HN       3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 167,1334, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   87 LYS   HA     88 SER  HN       3.15
 &rst
  ixpk= 0, nxpk= 0, iat=1314,1334, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#   88 SER   HN     88 SER  HB3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1339, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   11 PHE   HN     12 VAL  HB       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 153, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#   11 PHE   HN     61 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 PHE   HN     12 VAL  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 149, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   10 GLY   HN     11 PHE  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   11 PHE   HN     11 PHE  HE       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 139, 143,
 &end
#
#   11 PHE   HN     11 PHE  HD       3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 137, 145,
 &end
#
#   10 GLY   HA2    11 PHE  HN       3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 129, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   10 GLY   HA3    11 PHE  HN       3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 129, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   11 PHE   HN     11 PHE  HB2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   11 PHE   HN     11 PHE  HB3      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   11 PHE   HN     12 VAL  QG2      4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 159, 160, 161,
 &end
#
#   11 PHE   HD     64 GLU  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 137, 145,
 &end
#
#   15 LEU   HN     59 VAL  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 859, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   58 PHE   HD     59 VAL  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 847, 855,
 &end
#
#   58 PHE   HA     59 VAL  HN       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 841, 859, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   58 PHE   HB2    59 VAL  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 843, 859, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   59 VAL   HN     59 VAL  HB       3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 863, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   59 VAL   HN     59 VAL  QG2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 869, 870, 871,
 &end
#
#   11 PHE   HE     64 GLU  HN       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 139, 143,
 &end
#
#   63 SER   HA     64 GLU  HN       2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 927, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#   64 GLU   HN     64 GLU  QG       4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 934, 935,
 &end
#
#   38 ASP   HN     39 GLY  HA3      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 571, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   38 ASP   HN     38 ASP  HB2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 560, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   37 HIS   HB3    38 ASP  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 556, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   38 ASP   HN     42 GLY  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 595, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   25 GLU   HN     27 VAL  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 386, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   27 VAL   HN     28 GLN  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 402, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   26 ASP   HN     27 VAL  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 386, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   24 VAL   HA     27 VAL  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 386, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   22 CYS   HN     22 CYS  HB2      3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 VAL   HN     27 VAL  HB       3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 390, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   27 VAL   HN     27 VAL  QG1      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 392, 393, 394,
 &end
#
#   27 VAL   HN     27 VAL  QG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 396, 397, 398,
 &end
#
#   27 VAL   HN     43 VAL  QG2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 612, 613, 614,
 &end
#
#   24 VAL   HN     25 GLU  HN       3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 359, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   25 GLU   HN     26 ASP  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 374, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   23 SER   HA     25 GLU  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 359, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   23 SER   HB2    25 GLU  HN       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 359, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   23 SER   HB3    25 GLU  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 359, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   24 VAL   QG1    25 GLU  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 349, 350, 351,
 &end
#
#   22 CYS   HN     22 CYS  HB3      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   22 CYS   HB3    23 SER  HN       3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 332, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   24 VAL   HN     43 VAL  QG2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 612, 613, 614,
 &end
#
#   22 CYS   HB2    23 SER  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 332, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   22 CYS   HN     23 SER  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 332, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   23 SER   HA     24 VAL  HN       3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   23 SER   HB2    24 VAL  HN       3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 343, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   23 SER   HB3    24 VAL  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 343, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#    9 GLU   HN     89 HIS  HA       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 107,1347, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   67 VAL   HN     68 LYS  HA       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 984, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   64 GLU   HA     67 VAL  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 966, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   66 ASP   HB2    67 VAL  HN       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 958, 966, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   67 VAL   HN     67 VAL  HB       3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 970, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   67 VAL   HN     68 LYS  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 992, 993,
 &end
#
#   61 LEU   QD1    67 VAL  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 899, 900, 901,
 &end
#
#    9 GLU   HN      9 GLU  HG3      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    9 GLU   HN      9 GLU  HB3      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 112, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   75 ARG   HN     85 VAL  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1276, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   75 ARG   HN     84 GLU  HA       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1263, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   75 ARG   HN     75 ARG  HG3      5.23
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1114, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   95 TRP   HE3    96 VAL  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1468, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   92 GLU   HA     96 VAL  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1468, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 TRP   HB3    96 VAL  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1468, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   96 VAL   HN     96 VAL  HB       3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1472, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   96 VAL   HN     96 VAL  QG2      4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1478,1479,1480,
 &end
#
#   16 ARG   HN     84 GLU  HN       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 222,1261, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   15 LEU   HB2    16 ARG  HN       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 222, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   15 LEU   QD1    16 ARG  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 212, 213, 214,
 &end
#
#   16 ARG   HN     83 ILE  QG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1248,1249,1250,
 &end
#
#   18 LEU   HN     18 LEU  HG       4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 260, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   46 ILE   HN     57 ALA  HA       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 831, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   18 LEU   HN     18 LEU  QD1      4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 262, 263, 264,
 &end
#
#   46 ILE   QD1    57 ALA  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 668, 669, 670,
 &end
#
#   56 GLU   QB     57 ALA  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 829, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 818, 819,
 &end
#
#   24 VAL   HN     26 ASP  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 374, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   24 VAL   QG2    26 ASP  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 353, 354, 355,
 &end
#
#   81 ARG   HN     82 TYR  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1221, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   81 ARG   HN     81 ARG  HB2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1201, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   81 ARG   HN     81 ARG  HB3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1202, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   81 ARG   HN     83 ILE  QD1      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1255,1256,1257,
 &end
#
#   75 ARG   HN     76 GLU  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1130, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   58 PHE   HE     97 LEU  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 849, 853,
 &end
#
#   30 PHE   HE     76 GLU  HN       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 443, 447,
 &end
#
#   74 ASP   HA     76 GLU  HN       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1130, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   76 GLU   HN     76 GLU  QB       3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2=1134,1135,
 &end
#
#   75 ARG   HG3    76 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 SER   HN     26 ASP  HN       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 374, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   24 VAL   HA     26 ASP  HN       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 374, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   26 ASP   HN     26 ASP  HB2      3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ASP   HN     27 VAL  QG1      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 392, 393, 394,
 &end
#
#   26 ASP   HN     26 ASP  HB3      3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   25 GLU   HG3    26 ASP  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 374, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   25 GLU   HB2    26 ASP  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 374, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   46 ILE   HN     46 ILE  HG13     5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 666, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   91 THR   QG2    95 TRP  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1=1392,1393,1394,
 &end
#
#   96 VAL   QG2    97 LEU  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1478,1479,1480,
 &end
#
#   64 GLU   HN     65 ASP  HN       3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 942, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   65 ASP   HN     66 ASP  HN       3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 954, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   65 ASP   HN     67 VAL  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 966, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   63 SER   HB3    65 ASP  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 942, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   65 ASP   HN     65 ASP  HB3      3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 947, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   64 GLU   HB2    65 ASP  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 931, 942, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   64 GLU   HB3    65 ASP  HN       3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 942, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   95 TRP   HN     96 VAL  HN       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1468, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   94 ASP   HN     95 TRP  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1444, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   92 GLU   HA     95 TRP  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1444, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   95 TRP   HN     95 TRP  HB3      3.08
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1449, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#   95 TRP   HN     96 VAL  HB       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1472, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   95 TRP   HN     97 LEU  HB2      4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1444,1488, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   95 TRP   HN     96 VAL  QG1      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1444,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1474,1475,1476,
 &end
#
#   96 VAL   HN     97 LEU  HN       4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1484, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   97 LEU   HN     97 LEU  HB2      3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1488, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#   97 LEU   HN     97 LEU  QD1      4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1493,1494,1495,
 &end
#
#   43 VAL   HN     43 VAL  HB       3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 606, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   43 VAL   HN     43 VAL  QG2      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 612, 613, 614,
 &end
#
#   43 VAL   HN     44 HIS  HN       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 618, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   40 ALA   HA     43 VAL  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 602, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   41 ALA   HN     43 VAL  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 602, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   41 ALA   QB     43 VAL  HN       4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 589, 590, 591,
 &end
#
#   36 ILE   QG2    43 VAL  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 526, 527, 528,
 &end
#
#   88 SER   HB2    89 HIS  HN       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1338,1345, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   88 SER   HB3    89 HIS  HN       3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1345, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   89 HIS   HN     93 MET  HB2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1345,1419, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   12 VAL   QG2    89 HIS  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 159, 160, 161,
 &end
#
#   89 HIS   HN     90 ARG  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1345,1362, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   88 SER   HN     89 HIS  HN       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1334,1345, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   89 HIS   HN     92 GLU  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1345,1400, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   12 VAL   HB     89 HIS  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 153,1345, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   55 GLY   HN     56 GLU  HN       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 814, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   56 GLU   HN     56 GLU  HG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 821, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   56 GLU   HN     56 GLU  QB       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 818, 819,
 &end
#
#   46 ILE   QD1    56 GLU  HN       5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 668, 669, 670,
 &end
#
#   26 ASP   HA     28 GLN  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 402, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   28 GLN   HN     29 ASN  HB3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 424, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   28 GLN   HN     28 GLN  HNE1     5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 414, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   28 GLN   HN     28 GLN  HG2      3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 409, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   28 GLN   HN     28 GLN  HB2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   28 GLN   HN     28 GLN  HG3      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 410, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   27 VAL   QG1    28 GLN  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 392, 393, 394,
 &end
#
#   28 GLN   HN     43 VAL  QG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 612, 613, 614,
 &end
#
#   56 GLU   HN     57 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 833, 834, 835,
 &end
#
#   33 ASP   HN     69 MET  QE       5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=1015,1016,1017,
 &end
#
#   64 GLU   HA     66 ASP  HN       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 954, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   61 LEU   HB2    66 ASP  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 954, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   93 MET   HN     96 VAL  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1468, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   63 SER   HB3    66 ASP  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 954, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   66 ASP   HN     66 ASP  HB2      3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 958, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   66 ASP   HN     66 ASP  HB3      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   65 ASP   HB3    66 ASP  HN       3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 954, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   66 ASP   HN     67 VAL  HN       3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 966, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   66 ASP   HN     67 VAL  QG1      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 972, 973, 974,
 &end
#
#   90 ARG   HN     93 MET  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1415, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   92 GLU   HN     93 MET  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1400,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   93 MET   HN     93 MET  HB2      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1419, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   93 MET   HN     93 MET  HB3      3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1420, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   71 LEU   HN     72 LYS  HN       3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1031,1050, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   72 LYS   HN     73 LYS  HN       3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1072, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   72 LYS   HN     72 LYS  QB       3.01
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2=1054,1055,
 &end
#
#   72 LYS   HN     72 LYS  QD       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1060,1061,
 &end
#
#   50 GLU   HN     52 ARG  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 755, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   48 THR   HN     52 ARG  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 755, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   52 ARG   HN     52 ARG  HB2      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   52 ARG   HN     52 ARG  HB3      3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   52 ARG   HN     52 ARG  QG       4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 762, 763,
 &end
#
#   30 PHE   HB2    31 LEU  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 453, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   28 GLN   HA     31 LEU  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 453, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   30 PHE   HB3    31 LEU  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 453, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   31 LEU   HN     31 LEU  QD2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 466, 467, 468,
 &end
#
#   89 HIS   HN     93 MET  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1345,1415, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   47 TYR   HA     52 ARG  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 755, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   47 TYR   QB     52 ARG  HN       4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 678, 679,
 &end
#
#   48 THR   QG2    52 ARG  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 701, 702, 703,
 &end
#
#   30 PHE   HD     31 LEU  HN       4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 441, 449,
 &end
#
#   31 LEU   HN     31 LEU  HB3      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 458, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   73 LYS   HN     74 ASP  HB3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1099, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   31 LEU   HN     32 SER  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 LYS   HN     74 ASP  HA       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1096, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   71 LEU   HA     73 LYS  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1072, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 LYS   QB     73 LYS  HN       3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=1054,1055,
 &end
#
#   73 LYS   HN     73 LYS  QB       3.28
 &rst
  ixpk= 0, nxpk= 0, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2=1076,1077,
 &end
#
#   74 ASP   HN     75 ARG  HN       4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1106, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   73 LYS   HN     74 ASP  HN       3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1094, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   72 LYS   HN     74 ASP  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1094, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   74 ASP   HN     74 ASP  HB3      3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1099, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   73 LYS   QB     74 ASP  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1076,1077,
 &end
#
#   74 ASP   HN     85 VAL  HB       4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1094,1280, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   74 ASP   HN     85 VAL  QG2      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1286,1287,1288,
 &end
#
#   46 ILE   QD1    58 PHE  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 668, 669, 670,
 &end
#
#   67 VAL   QG2    69 MET  HN       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 976, 977, 978,
 &end
#
#   67 VAL   HN     68 LYS  HN       3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 982, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   67 VAL   HB     68 LYS  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 970, 982, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 LYS   HN     69 MET  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 982,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LYS   HN     68 LYS  HG2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 989, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   58 PHE   HN     58 PHE  HD       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 847, 855,
 &end
#
#   57 ALA   HA     58 PHE  HN       3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 839, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#   45 PHE   HA     58 PHE  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 839, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   43 VAL   HA     58 PHE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 HIS   HB2    58 PHE  HN       4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 839, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   65 ASP   HA     69 MET  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 944,1004, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   69 MET   HN     69 MET  QG       3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1011,1012,
 &end
#
#   69 MET   HN     69 MET  HB2      3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1008, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   69 MET   HN     69 MET  HB3      3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1009, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LYS   HG3    69 MET  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 990,1004, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   67 VAL   QG1    69 MET  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 972, 973, 974,
 &end
#
#   96 VAL   HN     98 LYS  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1468,1503, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   97 LEU   HN     98 LYS  HN       3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1484,1503, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   95 TRP   HA     98 LYS  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1446,1503, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   96 VAL   HA     98 LYS  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=1470,1503, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   97 LEU   HB2    98 LYS  HN       3.74
 &rst
  ixpk= 0, nxpk= 0, iat=1488,1503, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   98 LYS   HN     98 LYS  HB2      3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1507, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   98 LYS   HN     98 LYS  HG2      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1510, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   98 LYS   HN     98 LYS  HG3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1503,1511, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   97 LEU   QD1    98 LYS  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1503, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1493,1494,1495,
 &end
#
#   97 LEU   QD2    98 LYS  HN       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1503, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1497,1498,1499,
 &end
#
#   81 ARG   HB3    82 TYR  HN       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=1202,1221, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#   82 TYR   HN     82 TYR  HD       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1229,1238,
 &end
#
#   81 ARG   HB2    82 TYR  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1221, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   34 CYS   HN     35 THR  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 506, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   32 SER   HN     34 CYS  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 495, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   80 HIS   HN     80 HIS  HD2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1193, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   94 ASP   HN     96 VAL  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=1432,1468, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   93 MET   HN     94 ASP  HN       4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1415,1432, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   93 MET   HB2    94 ASP  HN       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1419,1432, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   93 MET   HB3    94 ASP  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1420,1432, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   94 ASP   HN     97 LEU  QD2      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=1432,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1497,1498,1499,
 &end
#
#   69 MET   HN     71 LEU  HN       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1031, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   71 LEU   HN     73 LYS  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1031,1072, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   69 MET   HA     71 LEU  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1031, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   67 VAL   HA     71 LEU  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 968,1031, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   71 LEU   HN     71 LEU  HB2      3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1031,1035, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   71 LEU   HN     72 LYS  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#   70 ALA   QB     71 LEU  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1025,1026,1027,
 &end
#
#   81 ARG   QG     82 TYR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1204,1205,
 &end
#
#   33 ASP   HN     34 CYS  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 495, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   32 SER   HA     34 CYS  HN       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 495, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   34 CYS   HN     34 CYS  HB2      3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 499, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   34 CYS   HN     34 CYS  HB3      3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 500, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   31 LEU   HB2    34 CYS  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 495, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   31 LEU   HB3    34 CYS  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 495, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   80 HIS   HN     80 HIS  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1184, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   80 HIS   HN     80 HIS  HB3      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1180,1185, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   38 ASP   HA     41 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ASP   HB2    41 ALA  HN       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 585, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   40 ALA   HN     41 ALA  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   41 ALA   HN     42 GLY  HA2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 597, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   39 GLY   HA3    41 ALA  HN       4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 585, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   38 ASP   HB3    41 ALA  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 585, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   12 VAL   HN     13 VAL  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 165, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   12 VAL   HA     13 VAL  HN       3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   12 VAL   HB     13 VAL  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   13 VAL   HN     13 VAL  QG2      3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 175, 176, 177,
 &end
#
#   13 VAL   HN     59 VAL  HN       3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 859, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   13 VAL   HN     60 GLU  HA       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 877, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   13 VAL   HN     61 LEU  HG       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 897, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   13 VAL   HN     61 LEU  HN       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 890, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   25 GLU   HA     29 ASN  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 419, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   29 ASN   HN     30 PHE  HB2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 437, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   29 ASN   HN     30 PHE  HB3      5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   29 ASN   HN     29 ASN  HB3      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#   28 GLN   HG3    29 ASN  HN       3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 419, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   27 VAL   QG2    29 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 396, 397, 398,
 &end
#
#   30 PHE   HE     77 SER  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 443, 447,
 &end
#
#   76 GLU   QB     77 SER  HN       3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1134,1135,
 &end
#
#   76 GLU   HN     77 SER  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1145, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   91 THR   HN     92 GLU  HB3      5.05
 &rst
  ixpk= 0, nxpk= 0, iat=1386,1405, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   78 MET   HB2    79 GLY  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1160,1173, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   77 SER   QB     79 GLY  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1149,1150,
 &end
#
#   76 GLU   HG3    77 SER  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1138,1145, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  100 SER   HN    100 SER  HB3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1542,1547, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   50 GLU   HN     50 GLU  HG3      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 741, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   17 GLY   HN     18 LEU  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 253, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   31 LEU   HN     32 SER  HN       4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 472, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   31 LEU   HA     32 SER  HN       3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 472, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   32 SER   HN     32 SER  HB3      3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 477, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   31 LEU   HB2    32 SER  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 472, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   32 SER   HN     73 LYS  HG3      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 472,1080, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   31 LEU   QD1    32 SER  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 462, 463, 464,
 &end
#
#   32 SER   HN     33 ASP  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 483, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   61 LEU   HA     63 SER  HN       4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 892, 916, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   61 LEU   HB2    63 SER  HN       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   63 SER   HN     66 ASP  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 954, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   63 SER   HN     67 VAL  HN       4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 966, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#   35 THR   HB     63 SER  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 916, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   63 SER   HN     66 ASP  HB2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 958, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   63 SER   HN     66 ASP  HB3      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 916, 959, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   63 SER   HN     67 VAL  QG1      4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 972, 973, 974,
 &end
#
#   29 ASN   HN     29 ASN  HND1     4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 428, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   29 ASN   HB3    29 ASN  HND1     3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   26 ASP   HA     29 ASN  HND2     4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 429, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   29 ASN   HB3    29 ASN  HND2     3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   29 ASN   HND2   78 MET  HG2      4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 429,1163, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   47 TYR   HD     48 THR  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 682, 691,
 &end
#
#   47 TYR   HA     48 THR  HN       3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 695, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   55 GLY   HN     56 GLU  HG2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 807, 821, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  100 SER   HA    101 GLY  HN       3.13
 &rst
  ixpk= 0, nxpk= 0, iat=1544,1553, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   28 GLN   HNE1   40 ALA  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 575, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   25 GLU   HA     28 GLN  HNE1     5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 414, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 GLN   HNE1   40 ALA  HA       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 577, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   28 GLN   HB2    28 GLN  HNE1     4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 414, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   28 GLN   HNE1   40 ALA  QB       4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 579, 580, 581,
 &end
#
#   24 VAL   QG2    28 GLN  HNE2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 353, 354, 355,
 &end
#
#   28 GLN   HG3    28 GLN  HNE2     4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLU   HA     28 GLN  HNE2     4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 415, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   28 GLN   HN     28 GLN  HNE2     5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 415, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   28 GLN   HNE2   40 ALA  HA       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 577, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   48 THR   HN     51 GLY  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 748, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   50 GLU   HN     51 GLY  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 748, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   51 GLY   HN     52 ARG  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 755, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   47 TYR   QB     51 GLY  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 678, 679,
 &end
#
#   50 GLU   HG3    51 GLY  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU   QB     51 GLY  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 737, 738,
 &end
#
#   51 GLY   HN     52 ARG  HA       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 757, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#    9 GLU   HN     10 GLY  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 122, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   10 GLY   HN     89 HIS  HA       3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 122,1347, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#    9 GLU   HA     10 GLY  HN       3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 122, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#    8 GLY   QA     10 GLY  HN       4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 102, 103,
 &end
#
#    9 GLU   HB2    10 GLY  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 122, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#    9 GLU   HB3    10 GLY  HN       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 122, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   40 ALA   HN     42 GLY  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 575, 595, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   42 GLY   HN     43 VAL  HN       3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 602, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   41 ALA   HA     42 GLY  HN       3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 595, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#   40 ALA   HA     42 GLY  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 595, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   38 ASP   HB3    42 GLY  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 595, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   42 GLY   HN     43 VAL  QG1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 608, 609, 610,
 &end
#
#   10 GLY   HN     11 PHE  HD       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 137, 145,
 &end
#
#   41 ALA   HN     42 GLY  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 595, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   38 ASP   HB2    42 GLY  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 595, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   41 ALA   QB     42 GLY  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 589, 590, 591,
 &end
#
#   42 GLY   HN     43 VAL  QG2      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 612, 613, 614,
 &end
#
#   39 GLY   HN     42 GLY  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 595, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   39 GLY   HN     40 ALA  HN       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 575, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   38 ASP   HN     39 GLY  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 568, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   39 GLY   HN     41 ALA  QB       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 589, 590, 591,
 &end
#
#   35 THR   QG2    39 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 512, 513, 514,
 &end
#
#   38 ASP   HB2    39 GLY  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 568, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   38 ASP   HB3    39 GLY  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   36 ILE   HB     39 GLY  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 568, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   37 HIS   HN     62 GLY  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 909, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   35 THR   HB     62 GLY  HN       3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 909, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   62 GLY   HN     66 ASP  HB3      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 909, 959, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   61 LEU   HB2    62 GLY  HN       3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 909, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   61 LEU   HN     62 GLY  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 909, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   44 HIS   HE1    93 MET  QE       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1426,1427,1428,
 &end
#
#   44 HIS   HE1    97 LEU  QD1      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1493,1494,1495,
 &end
#
#   44 HIS   HE1    97 LEU  QD2      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1497,1498,1499,
 &end
#
#   89 HIS   HE1    91 THR  HB       3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1390, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   89 HIS   HE1    92 GLU  HG2      5.44
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1407, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   89 HIS   HE1    92 GLU  HB2      4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1404, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   89 HIS   HE1    92 GLU  HB3      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1405, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 HIS   HE1    91 THR  QG2      3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1392,1393,1394,
 &end
#
#   89 HIS   HE1    92 GLU  HA       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1402, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   95 TRP   HB3    95 TRP  HE3      3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1463, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   92 GLU   HA     95 TRP  HE3      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1463, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   95 TRP   HE3    96 VAL  HA       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=1463,1470, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   95 TRP   HE3    96 VAL  QG1      4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1474,1475,1476,
 &end
#
#   95 TRP   HE3    96 VAL  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1478,1479,1480,
 &end
#
#   11 PHE   HE     67 VAL  QG1      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 139, 143,
 igr2= 972, 973, 974,
 &end
#
#   58 PHE   HA     58 PHE  HE       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 849, 853,
 &end
#
#   58 PHE   HE     96 VAL  HB       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1472, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 849, 853,
 &end
#
#   58 PHE   HE     96 VAL  QG1      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 849, 853,
 igr2=1474,1475,1476,
 &end
#
#   58 PHE   HE     96 VAL  QG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 849, 853,
 igr2=1478,1479,1480,
 &end
#
#   46 ILE   QD1    58 PHE  HE       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 668, 669, 670,
 igr2= 849, 853,
 &end
#
#   58 PHE   HE     97 LEU  HA       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 849, 853,
 &end
#
#   44 HIS   HA     45 PHE  HD       4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 643, 651,
 &end
#
#   45 PHE   HA     45 PHE  HD       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 643, 651,
 &end
#
#   24 VAL   QG1    45 PHE  HD       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 349, 350, 351,
 igr2= 643, 651,
 &end
#
#   45 PHE   HD     57 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= 643, 651,
 igr2= 833, 834, 835,
 &end
#
#   43 VAL   QG2    45 PHE  HD       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 612, 613, 614,
 igr2= 643, 651,
 &end
#
#   58 PHE   HZ     92 GLU  HG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 851,1407, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   58 PHE   HZ     96 VAL  HB       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 851,1472, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   58 PHE   HZ     96 VAL  QG2      4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1478,1479,1480,
 &end
#
#   58 PHE   HZ     96 VAL  QG1      3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1474,1475,1476,
 &end
#
#   95 TRP   HA     95 TRP  HD1      3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1446,1452, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   11 PHE   HD     64 GLU  HB2      4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 137, 145,
 &end
#
#   11 PHE   HD     67 VAL  QG1      3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 137, 145,
 igr2= 972, 973, 974,
 &end
#
#   29 ASN   HND1   30 PHE  HD       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 441, 449,
 &end
#
#   30 PHE   HD     31 LEU  HA       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 441, 449,
 &end
#
#   24 VAL   HA     45 PHE  HE       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 645, 649,
 &end
#
#   95 TRP   HZ3    96 VAL  QG1      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1461,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1474,1475,1476,
 &end
#
#   24 VAL   QG2    28 GLN  HNE1     3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 353, 354, 355,
 &end
#
#   58 PHE   HD     97 LEU  QD1      4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 847, 855,
 igr2=1493,1494,1495,
 &end
#
#   45 PHE   HE     57 ALA  QB       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 645, 649,
 igr2= 833, 834, 835,
 &end
#
#   58 PHE   HD     97 LEU  QD2      3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 847, 855,
 igr2=1497,1498,1499,
 &end
#
#   43 VAL   QG2    45 PHE  HE       4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 612, 613, 614,
 igr2= 645, 649,
 &end
#
#   86 PHE   HA     86 PHE  HD       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1300,1308,
 &end
#
#   37 HIS   HA     37 HIS  HD2      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 552, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   14 LYS   HB2    86 PHE  HD       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 185,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1300,1308,
 &end
#
#   37 HIS   HD2    41 ALA  QB       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 589, 590, 591,
 &end
#
#   44 HIS   HD2    59 VAL  HA       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 861, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   44 HIS   HD2    60 GLU  HG3      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 883, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   29 ASN   HND2   78 MET  QE       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1167,1168,1169,
 &end
#
#   44 HIS   HD2    97 LEU  QD2      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1497,1498,1499,
 &end
#
#   47 TYR   HA     47 TYR  HD       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 682, 691,
 &end
#
#   47 TYR   HD     53 GLN  HA       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 682, 691,
 &end
#
#   15 LEU   QD2    30 PHE  HE       3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 216, 217, 218,
 igr2= 443, 447,
 &end
#
#   30 PHE   HE     73 LYS  HG3      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1080, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 443, 447,
 &end
#
#   47 TYR   HA     53 GLN  HNE1     4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 791, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   53 GLN   HA     53 GLN  HNE1     4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 781, 791, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   45 PHE   HB2    47 TYR  HE       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 684, 689,
 &end
#
#   45 PHE   HB3    47 TYR  HE       5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 684, 689,
 &end
#
#   27 VAL   HB     45 PHE  HZ       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 647, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   24 VAL   QG1    45 PHE  HZ       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 349, 350, 351,
 &end
#
#   27 VAL   QG1    45 PHE  HZ       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 392, 393, 394,
 &end
#
#   27 VAL   QG2    45 PHE  HZ       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 396, 397, 398,
 &end
#
#   43 VAL   QG2    45 PHE  HZ       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 612, 613, 614,
 &end
#
#   82 TYR   HA     82 TYR  HD       3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1229,1238,
 &end
#
#   75 ARG   HA     82 TYR  HD       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1229,1238,
 &end
#
#   75 ARG   HB2    82 TYR  HD       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1229,1238,
 &end
#
#   75 ARG   HB3    82 TYR  HD       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1229,1238,
 &end
#
#   80 HIS   HA     80 HIS  HD2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1193, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   82 TYR   HA     82 TYR  HE       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1231,1236,
 &end
#
#   75 ARG   HA     82 TYR  HE       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1231,1236,
 &end
#
#   75 ARG   HD2    82 TYR  HE       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1231,1236,
 &end
#
#   75 ARG   HD3    82 TYR  HE       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1231,1236,
 &end
#
#   82 TYR   HE     84 GLU  HG2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1231,1236,
 &end
#
#   82 TYR   HE     84 GLU  HG3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1269, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1231,1236,
 &end
#
#   75 ARG   HG3    82 TYR  HE       4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1231,1236,
 &end
#
#   56 GLU   HA     56 GLU  HG2      4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   56 GLU   HA     56 GLU  HG3      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 822, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   46 ILE   QD1    56 GLU  HA       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 668, 669, 670,
 &end
#
#   58 PHE   HA     58 PHE  HD       3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 847, 855,
 &end
#
#   36 ILE   HA     61 LEU  HA       3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 892, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   12 VAL   HA     61 LEU  HG       4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 897, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   13 VAL   HA     87 LYS  HA       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 167,1314, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   43 VAL   HA     59 VAL  HA       3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 861, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   23 SER   HA     45 PHE  HZ       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 647, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   14 LYS   HA     58 PHE  HD       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 847, 855,
 &end
#
#   44 HIS   HA     44 HIS  HD2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 631, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   44 HIS   HA     97 LEU  QD1      4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1493,1494,1495,
 &end
#
#   45 PHE   HA     57 ALA  HA       3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 831, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   46 ILE   HG12   57 ALA  HA       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 831, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   16 ARG   HA     56 GLU  HA       4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 816, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   12 VAL   HA     60 GLU  HA       3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 877, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   11 PHE   HA     11 PHE  HD       3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 137, 145,
 &end
#
#   88 SER   HA     89 HIS  HD2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1336,1358, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   12 VAL   QG2    89 HIS  HA       4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 159, 160, 161,
 &end
#
#   47 TYR   HE     48 THR  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 684, 689,
 &end
#
#   34 CYS   HA     61 LEU  QD2      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 903, 904, 905,
 &end
#
#   82 TYR   HA     83 ILE  HA       4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1223,1244, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   48 THR   HA     48 THR  QG2      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 701, 702, 703,
 &end
#
#   52 ARG   HA     52 ARG  QG       3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 757,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 762, 763,
 &end
#
#   66 ASP   HA     69 MET  QE       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1015,1016,1017,
 &end
#
#   61 LEU   QD2    66 ASP  HA       4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 956, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 903, 904, 905,
 &end
#
#   46 ILE   HA     46 ILE  HG13     3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 666, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   31 LEU   HA     31 LEU  QD1      3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 462, 463, 464,
 &end
#
#   46 ILE   HA     46 ILE  QD1      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 668, 669, 670,
 &end
#
#   26 ASP   HA     29 ASN  HND1     3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 428, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   29 ASN   HA     29 ASN  HB2      2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 ASP   HA     85 VAL  HB       3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1280, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   30 PHE   HA     30 PHE  HD       3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 441, 449,
 &end
#
#   64 GLU   QG     65 ASP  HA       3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 934, 935,
 &end
#
#   50 GLU   HA     50 GLU  QB       3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 737, 738,
 &end
#
#   36 ILE   HA     61 LEU  QD2      3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 903, 904, 905,
 &end
#
#   36 ILE   HA     36 ILE  QD1      3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 533, 534, 535,
 &end
#
#   36 ILE   HA     36 ILE  QG2      3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 526, 527, 528,
 &end
#
#   13 VAL   QG1    87 LYS  HA       3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 171, 172, 173,
 &end
#
#   72 LYS   HA     72 LYS  QE       3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1063,1064,
 &end
#
#   94 ASP   HA     94 ASP  HB3      2.79
 &rst
  ixpk= 0, nxpk= 0, iat=1434,1437, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,  &end
#
#   73 LYS   HA     76 GLU  HG2      3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1137, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   73 LYS   HA     76 GLU  HG3      3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1138, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#   72 LYS   HA     72 LYS  QB       2.53
 &rst
  ixpk= 0, nxpk= 0, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
 igr2=1054,1055,
 &end
#
#   73 LYS   HA     73 LYS  QB       2.89
 &rst
  ixpk= 0, nxpk= 0, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2=1076,1077,
 &end
#
#   43 VAL   HA     44 HIS  HD2      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 631, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   98 LYS   HA     98 LYS  HG3      3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1511, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   43 VAL   HA     59 VAL  QG2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 869, 870, 871,
 &end
#
#   97 LEU   HA     97 LEU  QD1      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1493,1494,1495,
 &end
#
#   92 GLU   HA     92 GLU  HG2      3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1407, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   49 ARG   HA     49 ARG  QB       3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 713, 714,
 &end
#
#   11 PHE   HE     63 SER  HA       3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1= 139, 143,
 &end
#
#   11 PHE   HD     63 SER  HA       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 137, 145,
 &end
#
#   90 ARG   HA     93 MET  HB2      3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1364,1419, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   24 VAL   HA     45 PHE  HZ       3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 647, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   24 VAL   HA     27 VAL  HB       3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 390, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   11 PHE   HD     64 GLU  HA       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 137, 145,
 &end
#
#   64 GLU   HA     67 VAL  HB       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 929, 970, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 GLY   HA3    83 ILE  QD1      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1255,1256,1257,
 &end
#
#   95 TRP   HB2    95 TRP  HD1      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   95 TRP   HB3    95 TRP  HD1      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1449,1452, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   13 VAL   QG1    67 VAL  HA       3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 171, 172, 173,
 &end
#
#   89 HIS   HB3    89 HIS  HD2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1358, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   13 VAL   HA     88 SER  HB3      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 167,1339, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   29 ASN   HND1   30 PHE  HB3      4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 438, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   15 LEU   QD2    30 PHE  HB3      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 216, 217, 218,
 &end
#
#   44 HIS   HB3    97 LEU  QD2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1497,1498,1499,
 &end
#
#   44 HIS   HB3    97 LEU  HG       3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 623,1491, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   61 LEU   QD2    66 ASP  HB2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 903, 904, 905,
 &end
#
#   68 LYS   HA     72 LYS  QE       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1063,1064,
 &end
#
#   47 TYR   QB     53 GLN  HA       4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 678, 679,
 &end
#
#   37 HIS   HB2    60 GLU  HA       5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 877, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   26 ASP   HB3    27 VAL  HA       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 388, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#   61 LEU   QD2    66 ASP  HB3      3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 903, 904, 905,
 &end
#
#   37 HIS   HA     37 HIS  HB3      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 541, 544, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#   91 THR   HA     94 ASP  HB3      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1437, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   37 HIS   HB2    60 GLU  HB2      3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 879, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   82 TYR   HD     84 GLU  HG2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1229,1238,
 &end
#
#   27 VAL   HB     43 VAL  QG2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 612, 613, 614,
 &end
#
#   50 GLU   HA     50 GLU  HG2      3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 GLU   HB3     9 GLU  HG2      2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#    9 GLU   HA      9 GLU  HG3      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 115, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#   24 VAL   HB     43 VAL  QG2      4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 612, 613, 614,
 &end
#
#   16 ARG   HA     56 GLU  HG2      4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 821, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   30 PHE   HE     83 ILE  HB       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 443, 447,
 &end
#
#   75 ARG   HB2    75 ARG  HD2      4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   33 ASP   HB2    69 MET  QE       3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1015,1016,1017,
 &end
#
#   65 ASP   HB3    69 MET  QE       3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1015,1016,1017,
 &end
#
#   25 GLU   HA     28 GLN  HG3      3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 410, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#   16 ARG   HA     56 GLU  HG3      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 822, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   72 LYS   QB     72 LYS  QE       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1054,1055,
 igr2=1063,1064,
 &end
#
#   71 LEU   HA     71 LEU  HG       3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1033,1038, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#   75 ARG   HB3    75 ARG  HD3      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1117, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   97 LEU   HB2    97 LEU  QD1      3.39
 &rst
  ixpk= 0, nxpk= 0, iat=1488,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1493,1494,1495,
 &end
#
#   94 ASP   HA     97 LEU  HB2      3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1434,1488, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   58 PHE   HE     97 LEU  HB2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1488, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 849, 853,
 &end
#
#   61 LEU   HB2    66 ASP  HB2      3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 894, 958, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   30 PHE   HD     31 LEU  HB2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 457, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 441, 449,
 &end
#
#   87 LYS   HG2    87 LYS  QE       3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1319,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1325,1326,
 &end
#
#   68 LYS   HA     68 LYS  QD       4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 992, 993,
 &end
#
#   27 VAL   HA     78 MET  QE       3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1167,1168,1169,
 &end
#
#   36 ILE   HB     36 ILE  QD1      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 533, 534, 535,
 &end
#
#   29 ASN   HND1   78 MET  HB3      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 428,1161, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   46 ILE   HA     46 ILE  HG12     4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 657, 665, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   52 ARG   HB3    52 ARG  QD       3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 765, 766,
 &end
#
#   36 ILE   HA     36 ILE  QG1      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 530, 531,
 &end
#
#   38 ASP   HA     41 ALA  QB       4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 589, 590, 591,
 &end
#
#   30 PHE   HE     83 ILE  HG12     4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1252, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 443, 447,
 &end
#
#   70 ALA   HA     73 LYS  HG3      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1080, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   75 ARG   HA     75 ARG  HG3      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1108,1114, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   64 GLU   HA     67 VAL  QG1      3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 972, 973, 974,
 &end
#
#   46 ILE   QD1    96 VAL  QG2      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 668, 669, 670,
 igr2=1478,1479,1480,
 &end
#
#   35 THR   QG2    62 GLY  HA3      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 512, 513, 514,
 &end
#
#   12 VAL   QG1    60 GLU  HA       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 155, 156, 157,
 &end
#
#   12 VAL   QG1    89 HIS  HA       4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 155, 156, 157,
 &end
#
#   24 VAL   QG2    45 PHE  HZ       5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 353, 354, 355,
 &end
#
#   23 SER   HA     24 VAL  QG2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 353, 354, 355,
 &end
#
#   24 VAL   HA     24 VAL  QG2      3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 353, 354, 355,
 &end
#
#   12 VAL   QG1    60 GLU  HB2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 155, 156, 157,
 &end
#
#   44 HIS   HB2    97 LEU  QD1      4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1493,1494,1495,
 &end
#
#   64 GLU   HA     67 VAL  QG2      4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 976, 977, 978,
 &end
#
#   46 ILE   QG2    58 PHE  HE       4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 661, 662, 663,
 igr2= 849, 853,
 &end
#
#   46 ILE   QG2    46 ILE  HG13     3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 661, 662, 663,
 &end
#
#   67 VAL   HB     71 LEU  QD1      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1040,1041,1042,
 &end
#
#   46 ILE   QG2    96 VAL  HA       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1470, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 661, 662, 663,
 &end
#
#   10 GLY   HA3    12 VAL  QG2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 159, 160, 161,
 &end
#
#   30 PHE   HD     31 LEU  QD1      3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 441, 449,
 igr2= 462, 463, 464,
 &end
#
#   40 ALA   HA     43 VAL  QG1      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 608, 609, 610,
 &end
#
#   71 LEU   QD2    87 LYS  HA       3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=1044,1045,1046,
 &end
#
#   15 LEU   QD1    30 PHE  HE       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 212, 213, 214,
 igr2= 443, 447,
 &end
#
#   34 CYS   HB3    36 ILE  QD1      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 533, 534, 535,
 &end
#
#   14 LYS   HG3    58 PHE  HE       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 849, 853,
 &end
#
#   30 PHE   HE     83 ILE  QG2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 443, 447,
 igr2=1248,1249,1250,
 &end
#
#   30 PHE   HE     83 ILE  QD1      5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 443, 447,
 igr2=1255,1256,1257,
 &end
#
#   43 VAL   QG2    45 PHE  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 612, 613, 614,
 &end
#
#   30 PHE   HE     83 ILE  HG13     4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1253, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 443, 447,
 &end
#
#   46 ILE   HN     56 GLU  O         1.8  2.4 
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 827, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   58 PHE   HN     44 HIS  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 633, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   60 GLU   HN     42 GLY  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 600, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   57 ALA   HN     15 LEU  O         1.8  2.4 
 &rst
  ixpk= 0, nxpk= 0, iat= 829, 220, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   59 VAL   HN     13 VAL  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 179, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   61 LEU   HN     11 PHE  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 147, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   13 VAL   HN     59 VAL  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 873, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   15 LEU   HN     57 ALA  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 837, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   14 LYS   HN     86 PHE  O         1.8  2.4 
 &rst
  ixpk= 0, nxpk= 0, iat= 181,1310, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   16 ARG   HN     84 GLU  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 222,1274, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   18 LEU   HN     82 TYR  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 253,1240, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   84 GLU   HN     16 ARG  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1261, 244, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   86 PHE   HN     14 LYS  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1292, 201, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   83 ILE   HN     76 GLU  O         1.8  2.4 
 &rst
  ixpk= 0, nxpk= 0, iat=1242,1143, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   85 VAL   HN     74 ASP  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1104, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   27 VAL   HN     23 SER  O         1.8  2.4 
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 341, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   28 GLN   HN     24 VAL  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 357, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   29 ASN   HN     25 GLU  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 372, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   30 PHE   HN     26 ASP  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 384, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   31 LEU   HN     27 VAL  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 400, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   67 VAL   HN     63 SER  O         1.8  2.4 
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 925, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   68 LYS   HN     64 GLU  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 940, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   69 MET   HN     65 ASP  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1004, 952, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   70 ALA   HN     66 ASP  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1021, 964, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   71 LEU   HN     67 VAL  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1031, 980, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   72 LYS   HN     68 LYS  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1050,1002, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#   46 ILE   N      56 GLU  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 827, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   58 PHE   N      44 HIS  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 838, 633, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   60 GLU   N      42 GLY  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 600, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   57 ALA   N      15 LEU  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 220, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   59 VAL   N      13 VAL  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 858, 179, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   61 LEU   N      11 PHE  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 889, 147, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   13 VAL   N      59 VAL  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 873, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   15 LEU   N      57 ALA  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 837, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   14 LYS   N      86 PHE  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 180,1310, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   16 ARG   N      84 GLU  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 221,1274, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   18 LEU   N      82 TYR  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 252,1240, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   84 GLU   N      16 ARG  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1260, 244, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   86 PHE   N      14 LYS  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1291, 201, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   83 ILE   N      76 GLU  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1143, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   85 VAL   N      74 ASP  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1275,1104, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   27 VAL   N      23 SER  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 341, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   28 GLN   N      24 VAL  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 357, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   29 ASN   N      25 GLU  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 372, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   30 PHE   N      26 ASP  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 384, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   31 LEU   N      27 VAL  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 400, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   67 VAL   N      63 SER  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 925, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   68 LYS   N      64 GLU  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 981, 940, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   69 MET   N      65 ASP  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1003, 952, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   70 ALA   N      66 ASP  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1020, 964, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   71 LEU   N      67 VAL  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1030, 980, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   72 LYS   N      68 LYS  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1002, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#   52  ARG  HN     50 GLU  HN        5.0         5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 733, r1= 4.50, r2= 5.00, r3= 5.50, r4= 6.00,  &end
#
#  103 RADE  H1'   103 RADE H2       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1583,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  103 RADE  H1'   103 RADE H2'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1583,1601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 RADE  H1'   103 RADE H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1583,1580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 RADE  H1'   103 RADE H8       2.50
 &rst
  ixpk= 0, nxpk= 0, iat=1583,1586, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  103 RADE  H1'   103 RADE Q5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1577,1578,
 &end
#
#  103 RADE  H3'   103 RADE H1'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1599,1583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 RADE  H3'   103 RADE H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1599,1580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 RADE  H3'   103 RADE Q5'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1577,1578,
 &end
#
#  103 RADE  H4'   103 RADE Q5'      3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1577,1578,
 &end
#
#  103 RADE  H8    103 RADE H2'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1586,1601, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RADE  H8    103 RADE H4'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1586,1580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RADE  H8    103 RADE Q5'      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1577,1578,
 &end
#
#  103 RADE  Q5'   104 RGUA H1'      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1577,1578,
 &end
#
#  104 RGUA  H1'   104 RGUA H2'      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1616,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 RGUA  H1'   104 RGUA H3'      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1616,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 RGUA  H1'   104 RGUA H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1616,1613, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 RGUA  H1'   104 RGUA H8       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1616,1619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 RGUA  H2'   104 RGUA H8       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1635,1619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 RGUA  H3'   104 RGUA H8       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1633,1619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 RGUA  H4'   104 RGUA Q5'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1610,1611,
 &end
#
#  104 RGUA  H4'   104 RGUA H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 RGUA  Q5'   104 RGUA H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1610,1611,
 &end
#
#  104 RGUA  Q5'   103 RADE H8       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1586, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1610,1611,
 &end
#
#  104 RGUA  H1'   105 RGUA H8       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1616,1653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 RGUA  H1    106 RGUA H1       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1625,1693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 RGUA  H1'   105 RGUA H2'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1669, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 RGUA  H1'   105 RGUA H3'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1667, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 RGUA  H1'   105 RGUA H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1647, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 RGUA  H1'   105 RGUA Q5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1650,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1644,1645,
 &end
#
#  105 RGUA  H1'   105 RGUA H8       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1650,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 RGUA  H2'   105 RGUA H8       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1669,1653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  105 RGUA  H4'   105 RGUA Q5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1644,1645,
 &end
#
#  105 RGUA  H4'   105 RGUA H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1653, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  105 RGUA  Q5'   105 RGUA H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1644,1645,
 &end
#
#  105 RGUA  H4'   106 RGUA H2'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1703, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  105 RGUA  H4'   106 RGUA H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1647,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  105 RGUA  Q5'   106 RGUA H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1644,1645,
 &end
#
#  106 RGUA  H1'   106 RGUA H2'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1703, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 RGUA  H1'   106 RGUA H3'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1701, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RGUA  H1'   106 RGUA H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1681, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 RGUA  H1'   106 RGUA Q5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1678,1679,
 &end
#
#  106 RGUA  H1'   106 RGUA H8       3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1687, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 RGUA  H2'   106 RGUA H4'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RGUA  H2'   106 RGUA Q5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1703,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1678,1679,
 &end
#
#  106 RGUA  H3'   106 RGUA H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1681, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 RGUA  Q5'   106 RGUA H3'      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1678,1679,
 &end
#
#  106 RGUA  H1'   107 RADE H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RGUA  H8    107 RADE H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 RGUA  H8    107 RADE H2       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1730, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RADE  H1'   107 RADE H2'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1736, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RADE  H1'   107 RADE H3'      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 RADE  H1'   107 RADE H4'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1715, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RADE  H1'   107 RADE Q5'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1712,1713,
 &end
#
#  107 RADE  H1'   107 RADE H8       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  107 RADE  H2'   107 RADE H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RADE  H4'   107 RADE H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1715,1721, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RADE  Q5'   107 RADE H8       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1721, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1712,1713,
 &end
#
#  107 RADE  H8    106 RGUA H2'      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1721,1703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107 RADE  H8    106 RGUA H3'      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1721,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107 RADE  H8    106 RGUA H4'      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1721,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107 RADE  H8    106 RGUA Q5'      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1721,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1678,1679,
 &end
#
#  107 RADE  H1'   108 URA  H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RADE  H1'   108 URA  H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RADE  H2    108 URA  H1'      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 RADE  H2    108 URA  H6       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 RADE  H4'   108 URA  H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1715,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RADE  H8    108 URA  H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1721,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RADE  H8    108 URA  H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1721,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 RADE  H2'   108 URA  H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1736,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 URA   H1'   108 URA  H2'      3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1751,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 URA   H1'   108 URA  H3'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1751,1764, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 URA   H1'   108 URA  H4'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1751,1748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 URA   H1'   108 URA  H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1751,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 URA   H1'   108 URA  H6       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1751,1754, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 URA   H2'   108 URA  H5       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1766,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 URA   H2'   108 URA  H6       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1766,1754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 URA   H3'   108 URA  H6       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1764,1754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 URA   H4'   108 URA  H6       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1754, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 URA   H5    108 URA  H3'      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1756,1764, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 URA   H5    108 URA  H6       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1756,1754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 RGUA  H1     18 TYR  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1240, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  104 RGUA  N1     18 TYR  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1240, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#  105 RGUA  H1     82 TYR  O         1.8  2.4
 &rst
  ixpk= 0, nxpk= 0, iat=1659,1240, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#  105 RGUA  N1     82 TYR  O         2.4  3.4
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1240, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
#  103 RADE  H1'    20 TRP  HZ2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1583, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  103 RADE  H2     20 TRP  HD1      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1595, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 RADE  H2     20 TRP  HE3      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1595, 305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 RADE  H2     20 TRP  HZ3      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1595, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 RADE  H2'    20 TRP  HZ2      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1601, 299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 RADE  H2'    20 TRP  HZ3      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1601, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 RADE  H8     20 TRP  HZ3      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1586, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 RADE  Q5'    20 TRP  HZ2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1577,1578,
 &end
#
#  103 RADE  Q5'    20 TRP  HZ3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1577,1578,
 &end
#
#   20 TRP   HE3   103 RADE H2       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 TRP   HH2   103 RADE H2'      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 TRP   HH2   103 RADE H3'      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 TRP   HH2   103 RADE H8       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ARG   HB2   103 RADE H2       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 759,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ARG   HB3   103 RADE H2       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 760,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 ARG   QD    103 RADE H2       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 765, 766,
 &end
#
#   52 ARG   QG    103 RADE H2       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1595, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 762, 763,
 &end
#
#  103 RADE  H1'    20 TRP  HH2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1583, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 RADE  H2'    20 TRP  HH2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1601, 301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 RADE  H8     20 TRP  HH2      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1586, 301, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 RGUA  H1'    20 TRP  HZ2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1616, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 RGUA  H4'    20 TRP  HZ3      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1613, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 TRP   HE3   104 RGUA H8       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305,1619, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 TRP   HH2   104 RGUA H2'      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 301,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 TRP   HH2   104 RGUA Q5'      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1610,1611,
 &end
#
#   20 TRP   HZ3   104 RGUA H8       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 303,1619, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 RGUA  H1'    20 TRP  HZ3      5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1616, 303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 RGUA  Q5'    20 TRP  HH2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1610,1611,
 &end
#
#   19 PRO   QD    104 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 273, 274,
 &end
#
#   18 LEU   HN    104 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 253,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 PRO   HA    104 RGUA H1       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 282,1625, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 TRP   HA    104 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 288,1625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 TYR   HD    105 RGUA H8       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1229,1238,
 &end
#
#   82 TYR   HE    105 RGUA H8       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1231,1236,
 &end
#
#   18 LEU   QD2   105 RGUA H1       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 266, 267, 268,
 &end
#
#   81 ARG   QG    105 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1204,1205,
 &end
#
#   81 ARG   HE    105 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1210,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 TYR   HA    105 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1223,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 TYR   QB    105 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1225,1226,
 &end
#
#   82 TYR   HN    105 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 TYR   HD    105 RGUA H1       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1229,1238,
 &end
#
#   82 TYR   HE    105 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1231,1236,
 &end
#
#   83 ILE   HA    105 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 ILE   QD1   105 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1255,1256,1257,
 &end
#
#   84 GLU   QB    105 RGUA H1       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1265,1266,
 &end
#
#   84 GLU   QG    105 RGUA H1       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1268,1269,
 &end
#
#   84 GLU   HN    105 RGUA H1       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1261,1659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ARG   QB    107 RADE H2       3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1110,1111,
 &end
#
#   75 ARG   QG    107 RADE H2       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1113,1114,
 &end
#
#   75 ARG   QD    107 RADE H2       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1116,1117,
 &end
#
#   82 TYR   HE    107 RADE H2       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1231,1236,
 &end
#
#  108 URA   H2'    86 PHE  HD       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1300,1308,
 &end
#
#  108 URA   H2'    86 PHE  HE       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1302,1306,
 &end
#
#  108 URA   H3'    86 PHE  HD       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1764,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1300,1308,
 &end
#
#  108 URA   H3'    86 PHE  HE       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1764,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1302,1306,
 &end
#
#  108 URA   H5     86 PHE  HD       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1300,1308,
 &end
REMARK                                                              
ATOM      1 N    MET     1      -8.094   7.182  20.933
ATOM      2 H1   MET     1      -7.975   6.282  21.375
ATOM      3 H2   MET     1      -9.059   7.280  20.652
ATOM      4 H3   MET     1      -7.662   7.888  21.512
ATOM      5 CA   MET     1      -7.330   7.181  19.691
ATOM      6 HA   MET     1      -7.996   7.357  18.846
ATOM      7 CB   MET     1      -6.271   8.285  19.718
ATOM      8 HB2  MET     1      -5.651   8.120  20.599
ATOM      9 HB3  MET     1      -5.663   8.175  18.820
ATOM     10 CG   MET     1      -6.855   9.687  19.765
ATOM     11 HG2  MET     1      -7.940   9.605  19.704
ATOM     12 HG3  MET     1      -6.578  10.138  20.718
ATOM     13 SD   MET     1      -6.263  10.732  18.420
ATOM     14 CE   MET     1      -7.299  10.168  17.072
ATOM     15 HE1  MET     1      -8.346  10.334  17.324
ATOM     16 HE2  MET     1      -7.052  10.722  16.167
ATOM     17 HE3  MET     1      -7.130   9.104  16.904
ATOM     18 C    MET     1      -6.666   5.828  19.462
ATOM     19 O    MET     1      -6.399   5.441  18.324
ATOM     20 N    MET     2      -6.400   5.112  20.550
ATOM     21 H    MET     2      -6.608   5.486  21.465
ATOM     22 CA   MET     2      -5.767   3.801  20.467
ATOM     23 HA   MET     2      -5.005   3.806  19.687
ATOM     24 CB   MET     2      -5.102   3.446  21.798
ATOM     25 HB2  MET     2      -5.687   3.914  22.590
ATOM     26 HB3  MET     2      -5.146   2.362  21.906
ATOM     27 CG   MET     2      -3.657   3.906  21.897
ATOM     28 HG2  MET     2      -3.152   3.283  22.636
ATOM     29 HG3  MET     2      -3.188   3.765  20.923
ATOM     30 SD   MET     2      -3.510   5.637  22.381
ATOM     31 CE   MET     2      -1.755   5.746  22.721
ATOM     32 HE1  MET     2      -1.194   5.496  21.821
ATOM     33 HE2  MET     2      -1.507   6.760  23.033
ATOM     34 HE3  MET     2      -1.494   5.048  23.516
ATOM     35 C    MET     2      -6.785   2.729  20.092
ATOM     36 O    MET     2      -7.404   2.115  20.962
ATOM     37 N    LEU     3      -6.954   2.508  18.793
ATOM     38 H    LEU     3      -6.445   3.059  18.116
ATOM     39 CA   LEU     3      -7.898   1.510  18.303
ATOM     40 HA   LEU     3      -7.673   0.539  18.744
ATOM     41 CB   LEU     3      -9.327   1.900  18.683
ATOM     42 HB2  LEU     3      -9.212   2.852  19.202
ATOM     43 HB3  LEU     3      -9.894   2.053  17.765
ATOM     44 CG   LEU     3     -10.074   0.916  19.584
ATOM     45 HG   LEU     3      -9.417   0.613  20.399
ATOM     46 CD1  LEU     3     -11.326   1.562  20.157
ATOM     47 HD11 LEU     3     -11.984   1.865  19.343
ATOM     48 HD12 LEU     3     -11.845   0.847  20.796
ATOM     49 HD13 LEU     3     -11.048   2.437  20.744
ATOM     50 CD2  LEU     3     -10.429  -0.348  18.815
ATOM     51 HD21 LEU     3      -9.517  -0.822  18.454
ATOM     52 HD22 LEU     3     -10.960  -1.037  19.472
ATOM     53 HD23 LEU     3     -11.065  -0.092  17.968
ATOM     54 C    LEU     3      -7.787   1.352  16.790
ATOM     55 O    LEU     3      -7.419   2.289  16.083
ATOM     56 N    GLY     4      -8.112   0.160  16.298
ATOM     57 H    GLY     4      -8.412  -0.588  16.906
ATOM     58 CA   GLY     4      -8.044  -0.098  14.872
ATOM     59 HA2  GLY     4      -8.815   0.493  14.377
ATOM     60 HA3  GLY     4      -7.063   0.212  14.512
ATOM     61 C    GLY     4      -8.253  -1.561  14.537
ATOM     62 O    GLY     4      -8.669  -2.359  15.377
ATOM     63 N    PRO     5      -7.964  -1.932  13.280
ATOM     64 CD   PRO     5      -7.465  -1.033  12.226
ATOM     65 HD2  PRO     5      -6.631  -0.448  12.613
ATOM     66 HD3  PRO     5      -8.265  -0.362  11.913
ATOM     67 CG   PRO     5      -7.049  -1.978  11.132
ATOM     68 HG2  PRO     5      -5.989  -2.212  11.236
ATOM     69 HG3  PRO     5      -7.224  -1.512  10.162
ATOM     70 CB   PRO     5      -7.893  -3.194  11.297
ATOM     71 HB2  PRO     5      -7.340  -4.061  10.936
ATOM     72 HB3  PRO     5      -8.852  -3.136  10.783
ATOM     73 CA   PRO     5      -8.116  -3.311  12.807
ATOM     74 HA   PRO     5      -9.120  -3.648  13.066
ATOM     75 C    PRO     5      -7.089  -4.253  13.426
ATOM     76 O    PRO     5      -6.378  -3.883  14.359
ATOM     77 N    GLU     6      -7.019  -5.472  12.900
ATOM     78 H    GLU     6      -7.646  -5.740  12.155
ATOM     79 CA   GLU     6      -6.078  -6.467  13.403
ATOM     80 HA   GLU     6      -5.228  -5.970  13.870
ATOM     81 CB   GLU     6      -6.755  -7.360  14.444
ATOM     82 HB2  GLU     6      -7.789  -7.502  14.128
ATOM     83 HB3  GLU     6      -6.238  -8.319  14.436
ATOM     84 CG   GLU     6      -6.730  -6.783  15.850
ATOM     85 HG2  GLU     6      -6.234  -5.813  15.806
ATOM     86 HG3  GLU     6      -7.762  -6.648  16.175
ATOM     87 CD   GLU     6      -6.003  -7.678  16.835
ATOM     88 OE1  GLU     6      -5.328  -7.140  17.738
ATOM     89 OE2  GLU     6      -6.109  -8.915  16.704
ATOM     90 C    GLU     6      -5.529  -7.321  12.264
ATOM     91 O    GLU     6      -4.361  -7.208  11.896
ATOM     92 N    GLY     7      -6.383  -8.177  11.709
ATOM     93 H    GLY     7      -7.337  -8.245  12.035
ATOM     94 CA   GLY     7      -5.966  -9.038  10.618
ATOM     95 HA2  GLY     7      -5.023  -8.660  10.222
ATOM     96 HA3  GLY     7      -5.817 -10.044  11.010
ATOM     97 C    GLY     7      -6.986  -9.091   9.498
ATOM     98 O    GLY     7      -8.071  -9.647   9.663
ATOM     99 N    GLY     8      -6.637  -8.509   8.355
ATOM    100 H    GLY     8      -5.737  -8.062   8.253
ATOM    101 CA   GLY     8      -7.543  -8.501   7.220
ATOM    102 HA2  GLY     8      -7.128  -7.848   6.452
ATOM    103 HA3  GLY     8      -7.617  -9.517   6.831
ATOM    104 C    GLY     8      -8.929  -8.011   7.588
ATOM    105 O    GLY     8      -9.809  -8.807   7.915
ATOM    106 N    GLU     9      -9.124  -6.697   7.537
ATOM    107 H    GLU     9      -8.362  -6.081   7.293
ATOM    108 CA   GLU     9     -10.413  -6.103   7.871
ATOM    109 HA   GLU     9     -11.176  -6.462   7.181
ATOM    110 CB   GLU     9     -10.823  -6.485   9.295
ATOM    111 HB2  GLU     9     -11.609  -5.796   9.604
ATOM    112 HB3  GLU     9     -11.222  -7.499   9.259
ATOM    113 CG   GLU     9      -9.679  -6.427  10.293
ATOM    114 HG2  GLU     9      -9.422  -7.450  10.568
ATOM    115 HG3  GLU     9      -8.827  -5.959   9.800
ATOM    116 CD   GLU     9     -10.033  -5.643  11.541
ATOM    117 OE1  GLU     9      -9.752  -6.139  12.653
ATOM    118 OE2  GLU     9     -10.591  -4.534  11.407
ATOM    119 C    GLU     9     -10.364  -4.584   7.734
ATOM    120 O    GLU     9     -10.139  -3.869   8.710
ATOM    121 N    GLY    10     -10.575  -4.098   6.515
ATOM    122 H    GLY    10     -10.757  -4.714   5.735
ATOM    123 CA   GLY    10     -10.550  -2.667   6.271
ATOM    124 HA2  GLY    10     -11.471  -2.235   6.661
ATOM    125 HA3  GLY    10      -9.697  -2.242   6.800
ATOM    126 C    GLY    10     -10.433  -2.332   4.798
ATOM    127 O    GLY    10      -9.950  -3.141   4.006
ATOM    128 N    PHE    11     -10.877  -1.135   4.428
ATOM    129 H    PHE    11     -11.292  -0.517   5.110
ATOM    130 CA   PHE    11     -10.822  -0.695   3.039
ATOM    131 HA   PHE    11     -11.043  -1.531   2.376
ATOM    132 CB   PHE    11     -11.851   0.411   2.791
ATOM    133 HB2  PHE    11     -11.515   1.346   3.239
ATOM    134 HB3  PHE    11     -12.001   0.554   1.721
ATOM    135 CG   PHE    11     -13.201   0.115   3.378
ATOM    136 CD1  PHE    11     -13.956   1.124   3.955
ATOM    137 HD1  PHE    11     -13.558   2.139   3.979
ATOM    138 CE1  PHE    11     -15.200   0.856   4.496
ATOM    139 HE1  PHE    11     -15.785   1.658   4.946
ATOM    140 CZ   PHE    11     -15.701  -0.431   4.465
ATOM    141 HZ   PHE    11     -16.680  -0.647   4.892
ATOM    142 CE2  PHE    11     -14.959  -1.445   3.892
ATOM    143 HE2  PHE    11     -15.353  -2.461   3.864
ATOM    144 CD2  PHE    11     -13.716  -1.171   3.354
ATOM    145 HD2  PHE    11     -13.129  -1.971   2.904
ATOM    146 C    PHE    11      -9.426  -0.195   2.682
ATOM    147 O    PHE    11      -9.074   0.952   2.959
ATOM    148 N    VAL    12      -8.632  -1.065   2.064
ATOM    149 H    VAL    12      -8.955  -2.004   1.882
ATOM    150 CA   VAL    12      -7.274  -0.713   1.668
ATOM    151 HA   VAL    12      -7.259   0.126   0.973
ATOM    152 CB   VAL    12      -6.407  -0.355   2.890
ATOM    153 HB   VAL    12      -6.818   0.535   3.367
ATOM    154 CG1  VAL    12      -6.391  -1.504   3.888
ATOM    155 HG11 VAL    12      -5.980  -2.394   3.412
ATOM    156 HG12 VAL    12      -5.774  -1.233   4.745
ATOM    157 HG13 VAL    12      -7.408  -1.709   4.224
ATOM    158 CG2  VAL    12      -4.995   0.004   2.455
ATOM    159 HG21 VAL    12      -5.028   0.861   1.782
ATOM    160 HG22 VAL    12      -4.397   0.254   3.331
ATOM    161 HG23 VAL    12      -4.546  -0.845   1.940
ATOM    162 C    VAL    12      -6.611  -1.855   0.905
ATOM    163 O    VAL    12      -6.871  -3.028   1.173
ATOM    164 N    VAL    13      -5.752  -1.503  -0.046
ATOM    165 H    VAL    13      -5.593  -0.526  -0.248
ATOM    166 CA   VAL    13      -5.049  -2.498  -0.847
ATOM    167 HA   VAL    13      -5.168  -3.503  -0.442
ATOM    168 CB   VAL    13      -5.543  -2.494  -2.306
ATOM    169 HB   VAL    13      -4.704  -2.720  -2.964
ATOM    170 CG1  VAL    13      -6.636  -3.534  -2.503
ATOM    171 HG11 VAL    13      -7.475  -3.309  -1.845
ATOM    172 HG12 VAL    13      -6.972  -3.516  -3.540
ATOM    173 HG13 VAL    13      -6.244  -4.523  -2.265
ATOM    174 CG2  VAL    13      -6.036  -1.109  -2.698
ATOM    175 HG21 VAL    13      -5.222  -0.391  -2.598
ATOM    176 HG22 VAL    13      -6.381  -1.125  -3.732
ATOM    177 HG23 VAL    13      -6.859  -0.817  -2.045
ATOM    178 C    VAL    13      -3.544  -2.254  -0.831
ATOM    179 O    VAL    13      -3.088  -1.114  -0.924
ATOM    180 N    LYS    14      -2.777  -3.332  -0.712
ATOM    181 H    LYS    14      -3.199  -4.243  -0.608
ATOM    182 CA   LYS    14      -1.322  -3.237  -0.685
ATOM    183 HA   LYS    14      -1.020  -2.290  -0.237
ATOM    184 CB   LYS    14      -0.731  -4.380   0.143
ATOM    185 HB2  LYS    14      -0.892  -5.303  -0.414
ATOM    186 HB3  LYS    14       0.339  -4.195   0.237
ATOM    187 CG   LYS    14      -1.346  -4.510   1.526
ATOM    188 HG2  LYS    14      -1.314  -3.534   2.011
ATOM    189 HG3  LYS    14      -2.383  -4.825   1.414
ATOM    190 CD   LYS    14      -0.598  -5.523   2.376
ATOM    191 HD2  LYS    14      -0.274  -6.341   1.733
ATOM    192 HD3  LYS    14       0.275  -5.034   2.808
ATOM    193 CE   LYS    14      -1.475  -6.072   3.491
ATOM    194 HE2  LYS    14      -1.515  -5.332   4.290
ATOM    195 HE3  LYS    14      -2.477  -6.229   3.092
ATOM    196 NZ   LYS    14      -0.949  -7.356   4.030
ATOM    197 HZ1  LYS    14      -0.021  -7.211   4.400
ATOM    198 HZ2  LYS    14      -1.557  -7.687   4.766
ATOM    199 HZ3  LYS    14      -0.912  -8.042   3.290
ATOM    200 C    LYS    14      -0.748  -3.270  -2.098
ATOM    201 O    LYS    14      -0.589  -4.339  -2.690
ATOM    202 N    LEU    15      -0.438  -2.095  -2.634
ATOM    203 H    LEU    15      -0.616  -1.243  -2.121
ATOM    204 CA   LEU    15       0.120  -1.989  -3.978
ATOM    205 HA   LEU    15      -0.372  -2.700  -4.641
ATOM    206 CB   LEU    15      -0.092  -0.579  -4.530
ATOM    207 HB2  LEU    15      -0.651  -0.070  -3.745
ATOM    208 HB3  LEU    15       0.884  -0.108  -4.644
ATOM    209 CG   LEU    15      -0.861  -0.482  -5.848
ATOM    210 HG   LEU    15      -0.811   0.544  -6.212
ATOM    211 CD1  LEU    15      -0.261  -1.418  -6.886
ATOM    212 HD11 LEU    15      -0.311  -2.444  -6.522
ATOM    213 HD12 LEU    15      -0.821  -1.335  -7.817
ATOM    214 HD13 LEU    15       0.780  -1.146  -7.063
ATOM    215 CD2  LEU    15      -2.334  -0.798  -5.631
ATOM    216 HD21 LEU    15      -2.758  -0.088  -4.921
ATOM    217 HD22 LEU    15      -2.866  -0.724  -6.580
ATOM    218 HD23 LEU    15      -2.435  -1.809  -5.236
ATOM    219 C    LEU    15       1.606  -2.330  -3.978
ATOM    220 O    LEU    15       2.444  -1.498  -3.630
ATOM    221 N    ARG    16       1.927  -3.558  -4.373
ATOM    222 H    ARG    16       1.201  -4.215  -4.621
ATOM    223 CA   ARG    16       3.312  -4.008  -4.420
ATOM    224 HA   ARG    16       3.953  -3.290  -3.908
ATOM    225 CB   ARG    16       3.453  -5.367  -3.732
ATOM    226 HB2  ARG    16       2.797  -6.065  -4.252
ATOM    227 HB3  ARG    16       4.489  -5.686  -3.850
ATOM    228 CG   ARG    16       3.096  -5.341  -2.254
ATOM    229 HG2  ARG    16       3.363  -4.364  -1.851
ATOM    230 HG3  ARG    16       2.021  -5.493  -2.155
ATOM    231 CD   ARG    16       3.833  -6.425  -1.484
ATOM    232 HD2  ARG    16       4.427  -7.015  -2.182
ATOM    233 HD3  ARG    16       4.492  -5.956  -0.753
ATOM    234 NE   ARG    16       2.915  -7.317  -0.781
ATOM    235 HE   ARG    16       2.687  -8.199  -1.217
ATOM    236 CZ   ARG    16       2.367  -7.031   0.395
ATOM    237 NH1  ARG    16       2.644  -5.883   0.997
ATOM    238 HH11 ARG    16       3.273  -5.226   0.559
ATOM    239 HH12 ARG    16       2.224  -5.671   1.891
ATOM    240 NH2  ARG    16       1.541  -7.895   0.971
ATOM    241 HH21 ARG    16       1.330  -8.770   0.513
ATOM    242 HH22 ARG    16       1.127  -7.674   1.865
ATOM    243 C    ARG    16       3.805  -4.103  -5.862
ATOM    244 O    ARG    16       3.062  -3.822  -6.802
ATOM    245 N    GLY    17       5.063  -4.501  -6.027
ATOM    246 H    GLY    17       5.647  -4.724  -5.234
ATOM    247 CA   GLY    17       5.632  -4.625  -7.356
ATOM    248 HA2  GLY    17       6.365  -5.431  -7.343
ATOM    249 HA3  GLY    17       4.831  -4.874  -8.052
ATOM    250 C    GLY    17       6.309  -3.350  -7.818
ATOM    251 O    GLY    17       6.899  -2.625  -7.015
ATOM    252 N    LEU    18       6.228  -3.075  -9.115
ATOM    253 H    LEU    18       5.760  -3.717  -9.739
ATOM    254 CA   LEU    18       6.839  -1.879  -9.684
ATOM    255 HA   LEU    18       6.683  -1.859 -10.763
ATOM    256 CB   LEU    18       6.211  -0.624  -9.076
ATOM    257 HB2  LEU    18       6.023  -0.899  -8.038
ATOM    258 HB3  LEU    18       6.950   0.177  -9.110
ATOM    259 CG   LEU    18       4.910  -0.145  -9.720
ATOM    260 HG   LEU    18       4.241   0.217  -8.939
ATOM    261 CD1  LEU    18       5.185   0.976 -10.711
ATOM    262 HD11 LEU    18       5.854   0.615 -11.492
ATOM    263 HD12 LEU    18       4.247   1.304 -11.159
ATOM    264 HD13 LEU    18       5.652   1.814 -10.193
ATOM    265 CD2  LEU    18       4.197  -1.301 -10.406
ATOM    266 HD21 LEU    18       3.965  -2.072  -9.672
ATOM    267 HD22 LEU    18       3.273  -0.941 -10.859
ATOM    268 HD23 LEU    18       4.842  -1.718 -11.180
ATOM    269 C    LEU    18       8.346  -1.873  -9.448
ATOM    270 O    LEU    18       8.866  -2.571  -8.578
ATOM    271 N    PRO    19       9.066  -1.065 -10.241
ATOM    272 CD   PRO    19       8.512  -0.205 -11.300
ATOM    273 HD2  PRO    19       7.670   0.362 -10.903
ATOM    274 HD3  PRO    19       8.172  -0.825 -12.130
ATOM    275 CG   PRO    19       9.674   0.673 -11.678
ATOM    276 HG2  PRO    19       9.633   1.598 -11.103
ATOM    277 HG3  PRO    19       9.625   0.904 -12.742
ATOM    278 CB   PRO    19      10.900  -0.111 -11.361
ATOM    279 HB2  PRO    19      11.705   0.578 -11.107
ATOM    280 HB3  PRO    19      11.224  -0.765 -12.171
ATOM    281 CA   PRO    19      10.523  -0.946 -10.135
ATOM    282 HA   PRO    19      10.946  -1.950 -10.156
ATOM    283 C    PRO    19      10.956  -0.240  -8.856
ATOM    284 O    PRO    19      11.666   0.766  -8.900
ATOM    285 N    TRP    20      10.526  -0.771  -7.717
ATOM    286 H    TRP    20       9.920  -1.579  -7.733
ATOM    287 CA   TRP    20      10.870  -0.190  -6.424
ATOM    288 HA   TRP    20      10.158  -0.520  -5.667
ATOM    289 CB   TRP    20      12.272  -0.631  -6.002
ATOM    290 HB2  TRP    20      12.829  -0.996  -6.865
ATOM    291 HB3  TRP    20      12.811   0.201  -5.549
ATOM    292 CG   TRP    20      12.268  -1.740  -4.993
ATOM    293 CD1  TRP    20      11.441  -1.862  -3.913
ATOM    294 HD1  TRP    20      10.703  -1.074  -3.763
ATOM    295 NE1  TRP    20      11.739  -3.011  -3.220
ATOM    296 HE1  TRP    20      11.272  -3.330  -2.383
ATOM    297 CE2  TRP    20      12.772  -3.654  -3.849
ATOM    298 CZ2  TRP    20      13.418  -4.845  -3.528
ATOM    299 HZ2  TRP    20      13.087  -5.392  -2.645
ATOM    300 CH2  TRP    20      14.434  -5.257  -4.347
ATOM    301 HH2  TRP    20      14.963  -6.185  -4.127
ATOM    302 CZ3  TRP    20      14.813  -4.509  -5.469
ATOM    303 HZ3  TRP    20      15.623  -4.844  -6.116
ATOM    304 CE3  TRP    20      14.173  -3.327  -5.789
ATOM    305 HE3  TRP    20      14.506  -2.785  -6.674
ATOM    306 CD2  TRP    20      13.132  -2.881  -4.971
ATOM    307 C    TRP    20      10.796   1.332  -6.474
ATOM    308 O    TRP    20      11.821   2.011  -6.525
ATOM    309 N    SER    21       9.576   1.861  -6.459
ATOM    310 H    SER    21       8.764   1.261  -6.445
ATOM    311 CA   SER    21       9.369   3.304  -6.505
ATOM    312 HA   SER    21       9.818   3.772  -5.629
ATOM    313 CB   SER    21      10.017   3.893  -7.760
ATOM    314 HB2  SER    21      11.036   4.196  -7.518
ATOM    315 HB3  SER    21      10.041   3.126  -8.534
ATOM    316 OG   SER    21       9.290   5.015  -8.230
ATOM    317 HG   SER    21       9.715   5.366  -9.016
ATOM    318 C    SER    21       7.881   3.639  -6.483
ATOM    319 O    SER    21       7.384   4.246  -5.533
ATOM    320 N    CYS    22       7.175   3.241  -7.535
ATOM    321 H    CYS    22       7.634   2.773  -8.304
ATOM    322 CA   CYS    22       5.743   3.499  -7.638
ATOM    323 HA   CYS    22       5.352   3.059  -8.555
ATOM    324 CB   CYS    22       5.006   2.883  -6.448
ATOM    325 HB2  CYS    22       5.299   1.842  -6.316
ATOM    326 HB3  CYS    22       5.223   3.440  -5.536
ATOM    327 SG   CYS    22       3.205   2.879  -6.617
ATOM    328 HG   CYS    22       2.957   2.296  -5.447
ATOM    329 C    CYS    22       5.464   4.998  -7.703
ATOM    330 O    CYS    22       6.249   5.807  -7.210
ATOM    331 N    SER    23       4.343   5.359  -8.317
ATOM    332 H    SER    23       3.745   4.659  -8.731
ATOM    333 CA   SER    23       3.963   6.761  -8.452
ATOM    334 HA   SER    23       4.530   7.369  -7.747
ATOM    335 CB   SER    23       4.255   7.256  -9.870
ATOM    336 HB2  SER    23       3.320   7.581 -10.326
ATOM    337 HB3  SER    23       4.942   8.100  -9.811
ATOM    338 OG   SER    23       4.834   6.231 -10.659
ATOM    339 HG   SER    23       5.007   6.566 -11.542
ATOM    340 C    SER    23       2.485   6.957  -8.127
ATOM    341 O    SER    23       1.633   6.183  -8.564
ATOM    342 N    VAL    24       2.188   7.999  -7.357
ATOM    343 H    VAL    24       2.925   8.590  -7.000
ATOM    344 CA   VAL    24       0.814   8.299  -6.973
ATOM    345 HA   VAL    24       0.382   7.508  -6.360
ATOM    346 CB   VAL    24       0.725   9.627  -6.198
ATOM    347 HB   VAL    24       1.255  10.399  -6.756
ATOM    348 CG1  VAL    24      -0.726  10.042  -6.014
ATOM    349 HG11 VAL    24      -1.257   9.271  -5.456
ATOM    350 HG12 VAL    24      -0.769  10.982  -5.464
ATOM    351 HG13 VAL    24      -1.194  10.171  -6.990
ATOM    352 CG2  VAL    24       1.429   9.508  -4.855
ATOM    353 HG21 VAL    24       2.479   9.261  -5.015
ATOM    354 HG22 VAL    24       1.356  10.455  -4.321
ATOM    355 HG23 VAL    24       0.957   8.722  -4.265
ATOM    356 C    VAL    24      -0.094   8.375  -8.196
ATOM    357 O    VAL    24      -1.290   8.099  -8.110
ATOM    358 N    GLU    25       0.484   8.750  -9.333
ATOM    359 H    GLU    25       1.464   8.996  -9.347
ATOM    360 CA   GLU    25      -0.274   8.862 -10.573
ATOM    361 HA   GLU    25      -1.275   9.239 -10.362
ATOM    362 CB   GLU    25       0.419   9.828 -11.536
ATOM    363 HB2  GLU    25       1.263   9.299 -11.978
ATOM    364 HB3  GLU    25      -0.299  10.081 -12.316
ATOM    365 CG   GLU    25       0.913  11.102 -10.869
ATOM    366 HG2  GLU    25       0.155  11.421 -10.153
ATOM    367 HG3  GLU    25       1.836  10.868 -10.339
ATOM    368 CD   GLU    25       1.170  12.218 -11.863
ATOM    369 OE1  GLU    25       0.315  12.432 -12.748
ATOM    370 OE2  GLU    25       2.226  12.876 -11.756
ATOM    371 C    GLU    25      -0.439   7.497 -11.236
ATOM    372 O    GLU    25      -1.480   7.201 -11.822
ATOM    373 N    ASP    26       0.596   6.671 -11.138
ATOM    374 H    ASP    26       1.441   6.972 -10.674
ATOM    375 CA   ASP    26       0.568   5.337 -11.727
ATOM    376 HA   ASP    26       0.170   5.388 -12.740
ATOM    377 CB   ASP    26       1.980   4.752 -11.785
ATOM    378 HB2  ASP    26       2.658   5.456 -11.302
ATOM    379 HB3  ASP    26       1.978   3.813 -11.231
ATOM    380 CG   ASP    26       2.443   4.499 -13.206
ATOM    381 OD1  ASP    26       2.007   5.238 -14.113
ATOM    382 OD2  ASP    26       3.243   3.562 -13.411
ATOM    383 C    ASP    26      -0.347   4.411 -10.931
ATOM    384 O    ASP    26      -1.054   3.580 -11.501
ATOM    385 N    VAL    27      -0.327   4.560  -9.610
ATOM    386 H    VAL    27       0.291   5.237  -9.186
ATOM    387 CA   VAL    27      -1.155   3.737  -8.736
ATOM    388 HA   VAL    27      -1.073   2.678  -8.979
ATOM    389 CB   VAL    27      -0.775   3.933  -7.256
ATOM    390 HB   VAL    27       0.259   3.619  -7.112
ATOM    391 CG1  VAL    27      -0.922   5.393  -6.855
ATOM    392 HG11 VAL    27      -1.956   5.707  -6.999
ATOM    393 HG12 VAL    27      -0.649   5.512  -5.806
ATOM    394 HG13 VAL    27      -0.267   6.008  -7.472
ATOM    395 CG2  VAL    27      -1.625   3.039  -6.366
ATOM    396 HG21 VAL    27      -1.464   1.996  -6.638
ATOM    397 HG22 VAL    27      -1.344   3.190  -5.324
ATOM    398 HG23 VAL    27      -2.678   3.290  -6.498
ATOM    399 C    VAL    27      -2.634   4.060  -8.916
ATOM    400 O    VAL    27      -3.471   3.160  -8.983
ATOM    401 N    GLN    28      -2.948   5.349  -8.995
ATOM    402 H    GLN    28      -2.228   6.052  -8.904
ATOM    403 CA   GLN    28      -4.327   5.790  -9.168
ATOM    404 HA   GLN    28      -4.966   5.308  -8.428
ATOM    405 CB   GLN    28      -4.426   7.306  -8.986
ATOM    406 HB2  GLN    28      -5.481   7.573  -9.045
ATOM    407 HB3  GLN    28      -4.048   7.540  -7.991
ATOM    408 CG   GLN    28      -3.645   8.096 -10.023
ATOM    409 HG2  GLN    28      -2.594   7.816  -9.957
ATOM    410 HG3  GLN    28      -4.025   7.846 -11.013
ATOM    411 CD   GLN    28      -3.761   9.594  -9.824
ATOM    412 OE1  GLN    28      -4.161  10.324 -10.731
ATOM    413 NE2  GLN    28      -3.410  10.062  -8.631
ATOM    414 HE21 GLN    28      -3.468  11.053  -8.444
ATOM    415 HE22 GLN    28      -3.087   9.425  -7.917
ATOM    416 C    GLN    28      -4.856   5.396 -10.543
ATOM    417 O    GLN    28      -6.024   5.036 -10.689
ATOM    418 N    ASN    29      -3.990   5.467 -11.548
ATOM    419 H    ASN    29      -3.050   5.798 -11.383
ATOM    420 CA   ASN    29      -4.371   5.118 -12.912
ATOM    421 HA   ASN    29      -5.306   5.612 -13.174
ATOM    422 CB   ASN    29      -3.289   5.566 -13.896
ATOM    423 HB2  ASN    29      -3.625   6.474 -14.397
ATOM    424 HB3  ASN    29      -2.373   5.774 -13.343
ATOM    425 CG   ASN    29      -2.992   4.514 -14.948
ATOM    426 OD1  ASN    29      -3.528   4.559 -16.055
ATOM    427 ND2  ASN    29      -2.135   3.559 -14.605
ATOM    428 HD21 ASN    29      -1.901   2.833 -15.267
ATOM    429 HD22 ASN    29      -1.721   3.563 -13.684
ATOM    430 C    ASN    29      -4.604   3.616 -13.044
ATOM    431 O    ASN    29      -5.321   3.164 -13.937
ATOM    432 N    PHE    30      -3.994   2.847 -12.148
ATOM    433 H    PHE    30      -3.392   3.261 -11.451
ATOM    434 CA   PHE    30      -4.135   1.395 -12.165
ATOM    435 HA   PHE    30      -3.961   1.017 -13.172
ATOM    436 CB   PHE    30      -3.118   0.752 -11.219
ATOM    437 HB2  PHE    30      -2.105   0.931 -11.578
ATOM    438 HB3  PHE    30      -3.224   1.162 -10.215
ATOM    439 CG   PHE    30      -3.273  -0.736 -11.094
ATOM    440 CD1  PHE    30      -3.185  -1.552 -12.211
ATOM    441 HD1  PHE    30      -3.001  -1.100 -13.186
ATOM    442 CE1  PHE    30      -3.327  -2.922 -12.100
ATOM    443 HE1  PHE    30      -3.255  -3.553 -12.986
ATOM    444 CZ   PHE    30      -3.561  -3.492 -10.863
ATOM    445 HZ   PHE    30      -3.675  -4.572 -10.771
ATOM    446 CE2  PHE    30      -3.650  -2.690  -9.742
ATOM    447 HE2  PHE    30      -3.832  -3.137  -8.765
ATOM    448 CD2  PHE    30      -3.508  -1.320  -9.860
ATOM    449 HD2  PHE    30      -3.581  -0.686  -8.976
ATOM    450 C    PHE    30      -5.548   0.981 -11.767
ATOM    451 O    PHE    30      -6.209   0.224 -12.478
ATOM    452 N    LEU    31      -6.006   1.483 -10.625
ATOM    453 H    LEU    31      -5.415   2.077 -10.061
ATOM    454 CA   LEU    31      -7.341   1.166 -10.131
ATOM    455 HA   LEU    31      -7.493   0.087 -10.138
ATOM    456 CB   LEU    31      -7.510   1.674  -8.698
ATOM    457 HB2  LEU    31      -6.857   2.545  -8.649
ATOM    458 HB3  LEU    31      -8.545   1.989  -8.568
ATOM    459 CG   LEU    31      -7.133   0.691  -7.589
ATOM    460 HG   LEU    31      -7.857  -0.124  -7.577
ATOM    461 CD1  LEU    31      -5.740   0.127  -7.825
ATOM    462 HD11 LEU    31      -5.015   0.941  -7.837
ATOM    463 HD12 LEU    31      -5.490  -0.570  -7.026
ATOM    464 HD13 LEU    31      -5.716  -0.394  -8.782
ATOM    465 CD2  LEU    31      -7.213   1.366  -6.227
ATOM    466 HD21 LEU    31      -8.230   1.720  -6.055
ATOM    467 HD22 LEU    31      -6.941   0.651  -5.450
ATOM    468 HD23 LEU    31      -6.525   2.211  -6.199
ATOM    469 C    LEU    31      -8.413   1.777 -11.028
ATOM    470 O    LEU    31      -8.913   2.869 -10.760
ATOM    471 N    SER    32      -8.764   1.062 -12.092
ATOM    472 H    SER    32      -8.305   0.183 -12.285
ATOM    473 CA   SER    32      -9.776   1.534 -13.030
ATOM    474 HA   SER    32      -9.452   2.470 -13.486
ATOM    475 CB   SER    32      -9.997   0.502 -14.137
ATOM    476 HB2  SER    32      -9.606  -0.459 -13.801
ATOM    477 HB3  SER    32     -11.067   0.413 -14.322
ATOM    478 OG   SER    32      -9.341   0.887 -15.333
ATOM    479 HG   SER    32      -9.495   0.224 -16.010
ATOM    480 C    SER    32     -11.092   1.817 -12.312
ATOM    481 O    SER    32     -11.463   2.972 -12.103
ATOM    482 N    ASP    33     -11.794   0.753 -11.937
ATOM    483 H    ASP    33     -11.464  -0.175 -12.159
ATOM    484 CA   ASP    33     -13.069   0.885 -11.242
ATOM    485 HA   ASP    33     -13.502   1.865 -11.444
ATOM    486 CB   ASP    33     -14.048  -0.189 -11.719
ATOM    487 HB2  ASP    33     -13.629  -1.163 -11.466
ATOM    488 HB3  ASP    33     -14.988  -0.049 -11.185
ATOM    489 CG   ASP    33     -14.300  -0.120 -13.212
ATOM    490 OD1  ASP    33     -13.780  -0.990 -13.943
ATOM    491 OD2  ASP    33     -15.017   0.803 -13.651
ATOM    492 C    ASP    33     -12.878   0.781  -9.732
ATOM    493 O    ASP    33     -13.604   0.055  -9.052
ATOM    494 N    CYS    34     -11.895   1.510  -9.214
ATOM    495 H    CYS    34     -11.305   2.066  -9.817
ATOM    496 CA   CYS    34     -11.607   1.499  -7.784
ATOM    497 HA   CYS    34     -12.491   1.183  -7.230
ATOM    498 CB   CYS    34     -10.466   0.527  -7.481
ATOM    499 HB2  CYS    34      -9.823   0.411  -8.353
ATOM    500 HB3  CYS    34      -9.874   0.885  -6.639
ATOM    501 SG   CYS    34     -11.013  -1.138  -7.037
ATOM    502 HG   CYS    34      -9.795  -1.642  -6.861
ATOM    503 C    CYS    34     -11.246   2.896  -7.291
ATOM    504 O    CYS    34     -10.710   3.713  -8.042
ATOM    505 N    THR    35     -11.543   3.167  -6.024
ATOM    506 H    THR    35     -12.006   2.473  -5.455
ATOM    507 CA   THR    35     -11.253   4.466  -5.431
ATOM    508 HA   THR    35     -10.942   5.175  -6.198
ATOM    509 CB   THR    35     -12.483   5.038  -4.701
ATOM    510 HB   THR    35     -12.838   4.302  -3.980
ATOM    511 CG2  THR    35     -12.130   6.328  -3.976
ATOM    512 HG21 THR    35     -11.775   7.065  -4.697
ATOM    513 HG22 THR    35     -13.014   6.713  -3.468
ATOM    514 HG23 THR    35     -11.347   6.131  -3.243
ATOM    515 OG1  THR    35     -13.538   5.284  -5.637
ATOM    516 HG1  THR    35     -14.300   5.640  -5.174
ATOM    517 C    THR    35     -10.090   4.375  -4.450
ATOM    518 O    THR    35     -10.020   3.450  -3.641
ATOM    519 N    ILE    36      -9.180   5.341  -4.527
ATOM    520 H    ILE    36      -9.266   6.063  -5.228
ATOM    521 CA   ILE    36      -8.021   5.370  -3.643
ATOM    522 HA   ILE    36      -7.817   4.375  -3.247
ATOM    523 CB   ILE    36      -6.772   5.899  -4.371
ATOM    524 HB   ILE    36      -6.880   6.972  -4.529
ATOM    525 CG2  ILE    36      -5.524   5.631  -3.543
ATOM    526 HG21 ILE    36      -5.415   4.558  -3.385
ATOM    527 HG22 ILE    36      -4.649   6.011  -4.071
ATOM    528 HG23 ILE    36      -5.612   6.132  -2.579
ATOM    529 CG1  ILE    36      -6.649   5.256  -5.754
ATOM    530 HG12 ILE    36      -5.606   4.968  -5.888
ATOM    531 HG13 ILE    36      -7.275   4.364  -5.756
ATOM    532 CD1  ILE    36      -7.069   6.169  -6.884
ATOM    533 HD11 ILE    36      -6.443   7.061  -6.883
ATOM    534 HD12 ILE    36      -6.956   5.647  -7.834
ATOM    535 HD13 ILE    36      -8.112   6.457  -6.750
ATOM    536 C    ILE    36      -8.287   6.236  -2.416
ATOM    537 O    ILE    36      -7.403   6.953  -1.946
ATOM    538 N    HID    37      -9.510   6.162  -1.900
ATOM    539 H    HID    37     -10.210   5.581  -2.339
ATOM    540 CA   HID    37      -9.892   6.938  -0.726
ATOM    541 HA   HID    37     -10.896   6.658  -0.407
ATOM    542 CB   HID    37      -8.921   6.671   0.426
ATOM    543 HB2  HID    37      -8.835   5.599   0.603
ATOM    544 HB3  HID    37      -7.938   7.080   0.194
ATOM    545 CG   HID    37      -9.346   7.287   1.723
ATOM    546 ND1  HID    37      -9.494   6.564   2.887
ATOM    547 HD1  HID    37      -9.332   5.570   2.970
ATOM    548 CE1  HID    37      -9.876   7.373   3.860
ATOM    549 HE1  HID    37     -10.049   6.989   4.865
ATOM    550 NE2  HID    37      -9.980   8.595   3.369
ATOM    551 CD2  HID    37      -9.654   8.568   2.035
ATOM    552 HD2  HID    37      -9.680   9.487   1.449
ATOM    553 C    HID    37      -9.921   8.430  -1.045
ATOM    554 O    HID    37     -10.991   9.025  -1.175
ATOM    555 N    ASP    38      -8.741   9.026  -1.171
ATOM    556 H    ASP    38      -7.891   8.501  -1.025
ATOM    557 CA   ASP    38      -8.632  10.448  -1.476
ATOM    558 HA   ASP    38      -9.590  10.825  -1.834
ATOM    559 CB   ASP    38      -8.236  11.231  -0.223
ATOM    560 HB2  ASP    38      -8.142  10.524   0.601
ATOM    561 HB3  ASP    38      -7.270  11.700  -0.411
ATOM    562 CG   ASP    38      -9.253  12.296   0.139
ATOM    563 OD1  ASP    38     -10.002  12.092   1.118
ATOM    564 OD2  ASP    38      -9.299  13.332  -0.555
ATOM    565 C    ASP    38      -7.612  10.689  -2.584
ATOM    566 O    ASP    38      -7.130  11.807  -2.767
ATOM    567 N    GLY    39      -7.286   9.632  -3.322
ATOM    568 H    GLY    39      -7.700   8.728  -3.146
ATOM    569 CA   GLY    39      -6.324   9.750  -4.403
ATOM    570 HA2  GLY    39      -6.304   8.808  -4.951
ATOM    571 HA3  GLY    39      -6.649  10.550  -5.068
ATOM    572 C    GLY    39      -4.927  10.060  -3.904
ATOM    573 O    GLY    39      -4.304   9.240  -3.230
ATOM    574 N    ALA    40      -4.432  11.248  -4.236
ATOM    575 H    ALA    40      -4.965  11.870  -4.827
ATOM    576 CA   ALA    40      -3.099  11.665  -3.817
ATOM    577 HA   ALA    40      -2.370  10.947  -4.193
ATOM    578 CB   ALA    40      -2.771  13.036  -4.389
ATOM    579 HB1  ALA    40      -3.487  13.767  -4.015
ATOM    580 HB2  ALA    40      -1.765  13.326  -4.086
ATOM    581 HB3  ALA    40      -2.825  12.999  -5.477
ATOM    582 C    ALA    40      -2.982  11.682  -2.297
ATOM    583 O    ALA    40      -1.884  11.601  -1.749
ATOM    584 N    ALA    41      -4.122  11.789  -1.621
ATOM    585 H    ALA    41      -4.995  11.898  -2.117
ATOM    586 CA   ALA    41      -4.147  11.815  -0.164
ATOM    587 HA   ALA    41      -3.158  12.092   0.201
ATOM    588 CB   ALA    41      -5.153  12.845   0.328
ATOM    589 HB1  ALA    41      -6.150  12.576  -0.022
ATOM    590 HB2  ALA    41      -5.145  12.870   1.418
ATOM    591 HB3  ALA    41      -4.886  13.828  -0.059
ATOM    592 C    ALA    41      -4.474  10.439   0.405
ATOM    593 O    ALA    41      -4.845  10.310   1.571
ATOM    594 N    GLY    42      -4.336   9.411  -0.428
ATOM    595 H    GLY    42      -4.030   9.551  -1.380
ATOM    596 CA   GLY    42      -4.622   8.058   0.011
ATOM    597 HA2  GLY    42      -4.759   8.068   1.092
ATOM    598 HA3  GLY    42      -5.543   7.727  -0.469
ATOM    599 C    GLY    42      -3.509   7.089  -0.336
ATOM    600 O    GLY    42      -3.599   5.897  -0.040
ATOM    601 N    VAL    43      -2.457   7.599  -0.967
ATOM    602 H    VAL    43      -2.442   8.578  -1.214
ATOM    603 CA   VAL    43      -1.322   6.771  -1.355
ATOM    604 HA   VAL    43      -1.584   5.714  -1.386
ATOM    605 CB   VAL    43      -0.772   7.182  -2.734
ATOM    606 HB   VAL    43      -0.111   8.040  -2.610
ATOM    607 CG1  VAL    43       0.001   6.034  -3.365
ATOM    608 HG11 VAL    43      -0.659   5.176  -3.490
ATOM    609 HG12 VAL    43       0.382   6.343  -4.338
ATOM    610 HG13 VAL    43       0.835   5.759  -2.720
ATOM    611 CG2  VAL    43      -1.904   7.637  -3.644
ATOM    612 HG21 VAL    43      -2.410   8.492  -3.195
ATOM    613 HG22 VAL    43      -1.498   7.924  -4.614
ATOM    614 HG23 VAL    43      -2.616   6.822  -3.775
ATOM    615 C    VAL    43      -0.200   6.858  -0.327
ATOM    616 O    VAL    43       0.308   7.942  -0.037
ATOM    617 N    HID    44       0.183   5.710   0.222
ATOM    618 H    HID    44      -0.286   4.850  -0.024
ATOM    619 CA   HID    44       1.247   5.656   1.219
ATOM    620 HA   HID    44       1.541   6.667   1.502
ATOM    621 CB   HID    44       0.767   4.919   2.469
ATOM    622 HB2  HID    44       0.202   4.030   2.187
ATOM    623 HB3  HID    44       1.618   4.628   3.086
ATOM    624 CG   HID    44      -0.133   5.740   3.340
ATOM    625 ND1  HID    44       0.338   6.675   4.238
ATOM    626 HD1  HID    44       1.314   6.887   4.387
ATOM    627 CE1  HID    44      -0.683   7.237   4.860
ATOM    628 HE1  HID    44      -0.518   8.006   5.614
ATOM    629 NE2  HID    44      -1.799   6.702   4.398
ATOM    630 CD2  HID    44      -1.482   5.764   3.447
ATOM    631 HD2  HID    44      -2.274   5.209   2.944
ATOM    632 C    HID    44       2.487   4.970   0.653
ATOM    633 O    HID    44       2.447   3.794   0.291
ATOM    634 N    PHE    45       3.587   5.713   0.580
ATOM    635 H    PHE    45       3.563   6.683   0.862
ATOM    636 CA   PHE    45       4.838   5.176   0.058
ATOM    637 HA   PHE    45       4.659   4.210  -0.414
ATOM    638 CB   PHE    45       5.429   6.128  -0.985
ATOM    639 HB2  PHE    45       5.299   7.163  -0.668
ATOM    640 HB3  PHE    45       6.490   5.922  -1.124
ATOM    641 CG   PHE    45       4.787   6.009  -2.337
ATOM    642 CD1  PHE    45       3.617   5.285  -2.502
ATOM    643 HD1  PHE    45       3.165   4.800  -1.637
ATOM    644 CE1  PHE    45       3.023   5.174  -3.745
ATOM    645 HE1  PHE    45       2.102   4.602  -3.862
ATOM    646 CZ   PHE    45       3.598   5.789  -4.840
ATOM    647 HZ   PHE    45       3.134   5.702  -5.822
ATOM    648 CE2  PHE    45       4.763   6.515  -4.689
ATOM    649 HE2  PHE    45       5.217   7.003  -5.551
ATOM    650 CD2  PHE    45       5.353   6.622  -3.444
ATOM    651 HD2  PHE    45       6.274   7.193  -3.324
ATOM    652 C    PHE    45       5.844   4.948   1.182
ATOM    653 O    PHE    45       6.176   5.869   1.929
ATOM    654 N    ILE    46       6.323   3.714   1.297
ATOM    655 H    ILE    46       5.996   2.985   0.679
ATOM    656 CA   ILE    46       7.291   3.363   2.329
ATOM    657 HA   ILE    46       7.172   4.009   3.199
ATOM    658 CB   ILE    46       7.147   1.892   2.759
ATOM    659 HB   ILE    46       7.153   1.259   1.871
ATOM    660 CG2  ILE    46       8.296   1.493   3.674
ATOM    661 HG21 ILE    46       8.290   2.125   4.562
ATOM    662 HG22 ILE    46       8.180   0.450   3.970
ATOM    663 HG23 ILE    46       9.242   1.618   3.146
ATOM    664 CG1  ILE    46       5.803   1.670   3.456
ATOM    665 HG12 ILE    46       5.924   0.828   4.138
ATOM    666 HG13 ILE    46       5.578   2.571   4.027
ATOM    667 CD1  ILE    46       4.667   1.384   2.499
ATOM    668 HD11 ILE    46       4.891   0.483   1.928
ATOM    669 HD12 ILE    46       3.745   1.237   3.062
ATOM    670 HD13 ILE    46       4.545   2.225   1.817
ATOM    671 C    ILE    46       8.718   3.604   1.849
ATOM    672 O    ILE    46       9.115   3.129   0.785
ATOM    673 N    TYR    47       9.486   4.343   2.642
ATOM    674 H    TYR    47       9.106   4.735   3.492
ATOM    675 CA   TYR    47      10.870   4.648   2.298
ATOM    676 HA   TYR    47      11.441   3.724   2.204
ATOM    677 CB   TYR    47      10.933   5.399   0.967
ATOM    678 HB2  TYR    47      11.977   5.658   0.790
ATOM    679 HB3  TYR    47      10.592   4.716   0.189
ATOM    680 CG   TYR    47      10.091   6.654   0.939
ATOM    681 CD1  TYR    47      10.460   7.778   1.667
ATOM    682 HD1  TYR    47      11.372   7.743   2.263
ATOM    683 CE1  TYR    47       9.693   8.927   1.644
ATOM    684 HE1  TYR    47       9.995   9.802   2.220
ATOM    685 CZ   TYR    47       8.541   8.963   0.888
ATOM    686 OH   TYR    47       7.773  10.105   0.862
ATOM    687 HH   TYR    47       8.132  10.811   1.404
ATOM    688 CE2  TYR    47       8.152   7.860   0.156
ATOM    689 HE2  TYR    47       7.242   7.888  -0.443
ATOM    690 CD2  TYR    47       8.925   6.715   0.186
ATOM    691 HD2  TYR    47       8.623   5.839  -0.388
ATOM    692 C    TYR    47      11.534   5.476   3.394
ATOM    693 O    TYR    47      10.966   5.677   4.468
ATOM    694 N    THR    48      12.741   5.956   3.115
ATOM    695 H    THR    48      13.177   5.742   2.230
ATOM    696 CA   THR    48      13.485   6.762   4.075
ATOM    697 HA   THR    48      12.848   7.039   4.915
ATOM    698 CB   THR    48      14.711   6.003   4.616
ATOM    699 HB   THR    48      15.537   6.705   4.731
ATOM    700 CG2  THR    48      14.400   5.362   5.960
ATOM    701 HG21 THR    48      13.575   4.659   5.846
ATOM    702 HG22 THR    48      15.280   4.832   6.323
ATOM    703 HG23 THR    48      14.122   6.135   6.676
ATOM    704 OG1  THR    48      15.114   4.995   3.683
ATOM    705 HG1  THR    48      15.878   4.527   4.028
ATOM    706 C    THR    48      13.948   8.073   3.450
ATOM    707 O    THR    48      13.562   8.409   2.330
ATOM    708 N    ARG    49      14.779   8.810   4.180
ATOM    709 H    ARG    49      15.044   8.506   5.106
ATOM    710 CA   ARG    49      15.295  10.085   3.697
ATOM    711 HA   ARG    49      14.562  10.557   3.043
ATOM    712 CB   ARG    49      15.578  11.023   4.871
ATOM    713 HB2  ARG    49      16.440  11.633   4.600
ATOM    714 HB3  ARG    49      14.704  11.663   4.994
ATOM    715 CG   ARG    49      15.862  10.297   6.176
ATOM    716 HG2  ARG    49      15.979  11.039   6.966
ATOM    717 HG3  ARG    49      15.012   9.654   6.405
ATOM    718 CD   ARG    49      17.124   9.454   6.082
ATOM    719 HD2  ARG    49      16.850   8.436   5.805
ATOM    720 HD3  ARG    49      17.776   9.876   5.317
ATOM    721 NE   ARG    49      17.852   9.415   7.347
ATOM    722 HE   ARG    49      17.536  10.019   8.093
ATOM    723 CZ   ARG    49      18.902   8.632   7.567
ATOM    724 NH1  ARG    49      19.344   7.826   6.611
ATOM    725 HH11 ARG    49      18.880   7.809   5.714
ATOM    726 HH12 ARG    49      20.143   7.233   6.784
ATOM    727 NH2  ARG    49      19.512   8.653   8.745
ATOM    728 HH21 ARG    49      19.175   9.266   9.474
ATOM    729 HH22 ARG    49      20.310   8.056   8.908
ATOM    730 C    ARG    49      16.565   9.882   2.876
ATOM    731 O    ARG    49      16.879  10.680   1.994
ATOM    732 N    GLU    50      17.291   8.809   3.174
ATOM    733 H    GLU    50      17.007   8.199   3.928
ATOM    734 CA   GLU    50      18.527   8.502   2.465
ATOM    735 HA   GLU    50      18.437   8.794   1.419
ATOM    736 CB   GLU    50      19.700   9.264   3.086
ATOM    737 HB2  GLU    50      19.889   8.828   4.067
ATOM    738 HB3  GLU    50      20.567   9.106   2.445
ATOM    739 CG   GLU    50      19.446  10.755   3.235
ATOM    740 HG2  GLU    50      19.252  11.163   2.243
ATOM    741 HG3  GLU    50      18.562  10.883   3.860
ATOM    742 CD   GLU    50      20.618  11.486   3.862
ATOM    743 OE1  GLU    50      20.381  12.487   4.571
ATOM    744 OE2  GLU    50      21.770  11.058   3.645
ATOM    745 C    GLU    50      18.811   7.003   2.489
ATOM    746 O    GLU    50      19.947   6.572   2.296
ATOM    747 N    GLY    51      17.768   6.213   2.728
ATOM    748 H    GLY    51      16.848   6.600   2.883
ATOM    749 CA   GLY    51      17.925   4.771   2.773
ATOM    750 HA2  GLY    51      18.949   4.545   3.072
ATOM    751 HA3  GLY    51      17.234   4.372   3.516
ATOM    752 C    GLY    51      17.645   4.114   1.436
ATOM    753 O    GLY    51      18.499   4.105   0.550
ATOM    754 N    ARG    52      16.445   3.562   1.290
ATOM    755 H    ARG    52      15.788   3.569   2.057
ATOM    756 CA   ARG    52      16.055   2.898   0.052
ATOM    757 HA   ARG    52      16.555   3.368  -0.795
ATOM    758 CB   ARG    52      16.452   1.421   0.095
ATOM    759 HB2  ARG    52      15.769   0.881  -0.561
ATOM    760 HB3  ARG    52      17.467   1.345  -0.296
ATOM    761 CG   ARG    52      16.400   0.816   1.488
ATOM    762 HG2  ARG    52      16.700  -0.230   1.422
ATOM    763 HG3  ARG    52      17.101   1.355   2.125
ATOM    764 CD   ARG    52      15.004   0.905   2.083
ATOM    765 HD2  ARG    52      14.707   1.952   2.135
ATOM    766 HD3  ARG    52      14.310   0.362   1.441
ATOM    767 NE   ARG    52      14.944   0.334   3.426
ATOM    768 HE   ARG    52      14.824   0.967   4.204
ATOM    769 CZ   ARG    52      15.038  -0.967   3.677
ATOM    770 NH1  ARG    52      15.196  -1.827   2.681
ATOM    771 HH11 ARG    52      15.245  -1.490   1.730
ATOM    772 HH12 ARG    52      15.267  -2.815   2.878
ATOM    773 NH2  ARG    52      14.974  -1.409   4.926
ATOM    774 HH21 ARG    52      14.854  -0.753   5.685
ATOM    775 HH22 ARG    52      15.046  -2.399   5.112
ATOM    776 C    ARG    52      14.553   3.026  -0.184
ATOM    777 O    ARG    52      13.815   3.479   0.690
ATOM    778 N    GLN    53      14.109   2.623  -1.370
ATOM    779 H    GLN    53      14.759   2.286  -2.066
ATOM    780 CA   GLN    53      12.696   2.694  -1.721
ATOM    781 HA   GLN    53      12.184   3.392  -1.059
ATOM    782 CB   GLN    53      12.530   3.177  -3.163
ATOM    783 HB2  GLN    53      13.331   2.729  -3.751
ATOM    784 HB3  GLN    53      11.568   2.810  -3.521
ATOM    785 CG   GLN    53      12.581   4.690  -3.308
ATOM    786 HG2  GLN    53      12.581   4.941  -4.369
ATOM    787 HG3  GLN    53      11.697   5.117  -2.834
ATOM    788 CD   GLN    53      13.814   5.296  -2.667
ATOM    789 OE1  GLN    53      14.834   5.500  -3.326
ATOM    790 NE2  GLN    53      13.726   5.588  -1.374
ATOM    791 HE21 GLN    53      14.518   5.994  -0.896
ATOM    792 HE22 GLN    53      12.868   5.403  -0.875
ATOM    793 C    GLN    53      12.023   1.337  -1.546
ATOM    794 O    GLN    53      11.001   1.055  -2.173
ATOM    795 N    SER    54      12.602   0.501  -0.691
ATOM    796 H    SER    54      13.455   0.768  -0.221
ATOM    797 CA   SER    54      12.060  -0.829  -0.437
ATOM    798 HA   SER    54      11.648  -1.244  -1.357
ATOM    799 CB   SER    54      13.161  -1.763   0.070
ATOM    800 HB2  SER    54      13.326  -2.544  -0.672
ATOM    801 HB3  SER    54      14.077  -1.186   0.199
ATOM    802 OG   SER    54      12.799  -2.355   1.305
ATOM    803 HG   SER    54      13.505  -2.935   1.601
ATOM    804 C    SER    54      10.923  -0.768   0.578
ATOM    805 O    SER    54      10.942   0.046   1.500
ATOM    806 N    GLY    55       9.931  -1.635   0.399
ATOM    807 H    GLY    55       9.946  -2.290  -0.370
ATOM    808 CA   GLY    55       8.798  -1.664   1.306
ATOM    809 HA2  GLY    55       8.757  -2.647   1.776
ATOM    810 HA3  GLY    55       8.949  -0.902   2.071
ATOM    811 C    GLY    55       7.483  -1.400   0.599
ATOM    812 O    GLY    55       6.494  -1.034   1.233
ATOM    813 N    GLU    56       7.473  -1.585  -0.717
ATOM    814 H    GLU    56       8.319  -1.858  -1.197
ATOM    815 CA   GLU    56       6.270  -1.361  -1.510
ATOM    816 HA   GLU    56       6.542  -1.149  -2.544
ATOM    817 CB   GLU    56       5.377  -2.603  -1.484
ATOM    818 HB2  GLU    56       4.472  -2.365  -2.043
ATOM    819 HB3  GLU    56       5.917  -3.403  -1.991
ATOM    820 CG   GLU    56       5.002  -3.054  -0.082
ATOM    821 HG2  GLU    56       4.667  -4.090  -0.142
ATOM    822 HG3  GLU    56       5.896  -2.997   0.540
ATOM    823 CD   GLU    56       3.906  -2.204   0.530
ATOM    824 OE1  GLU    56       4.087  -1.736   1.674
ATOM    825 OE2  GLU    56       2.867  -2.007  -0.133
ATOM    826 C    GLU    56       5.494  -0.153  -0.993
ATOM    827 O    GLU    56       6.031   0.673  -0.255
ATOM    828 N    ALA    57       4.229  -0.057  -1.387
ATOM    829 H    ALA    57       3.846  -0.737  -2.028
ATOM    830 CA   ALA    57       3.379   1.049  -0.963
ATOM    831 HA   ALA    57       3.727   1.411   0.004
ATOM    832 CB   ALA    57       3.457   2.190  -1.966
ATOM    833 HB1  ALA    57       3.103   1.845  -2.938
ATOM    834 HB2  ALA    57       2.834   3.017  -1.626
ATOM    835 HB3  ALA    57       4.490   2.527  -2.054
ATOM    836 C    ALA    57       1.933   0.594  -0.788
ATOM    837 O    ALA    57       1.459  -0.289  -1.502
ATOM    838 N    PHE    58       1.238   1.203   0.167
ATOM    839 H    PHE    58       1.680   1.901   0.748
ATOM    840 CA   PHE    58      -0.153   0.859   0.437
ATOM    841 HA   PHE    58      -0.358  -0.154   0.092
ATOM    842 CB   PHE    58      -0.436   0.931   1.939
ATOM    843 HB2  PHE    58      -0.284   1.947   2.302
ATOM    844 HB3  PHE    58      -1.460   0.621   2.146
ATOM    845 CG   PHE    58       0.455   0.044   2.760
ATOM    846 CD1  PHE    58       0.131  -1.287   2.966
ATOM    847 HD1  PHE    58      -0.782  -1.686   2.524
ATOM    848 CE1  PHE    58       0.949  -2.106   3.721
ATOM    849 HE1  PHE    58       0.684  -3.152   3.875
ATOM    850 CZ   PHE    58       2.105  -1.597   4.281
ATOM    851 HZ   PHE    58       2.752  -2.239   4.878
ATOM    852 CE2  PHE    58       2.440  -0.272   4.083
ATOM    853 HE2  PHE    58       3.352   0.132   4.522
ATOM    854 CD2  PHE    58       1.617   0.542   3.327
ATOM    855 HD2  PHE    58       1.879   1.588   3.171
ATOM    856 C    PHE    58      -1.099   1.790  -0.316
ATOM    857 O    PHE    58      -0.677   2.801  -0.876
ATOM    858 N    VAL    59      -2.382   1.440  -0.324
ATOM    859 H    VAL    59      -2.676   0.585   0.127
ATOM    860 CA   VAL    59      -3.389   2.243  -1.007
ATOM    861 HA   VAL    59      -3.165   3.308  -0.952
ATOM    862 CB   VAL    59      -3.516   1.843  -2.489
ATOM    863 HB   VAL    59      -3.690   0.769  -2.552
ATOM    864 CG1  VAL    59      -4.672   2.583  -3.145
ATOM    865 HG11 VAL    59      -4.498   3.657  -3.083
ATOM    866 HG12 VAL    59      -4.746   2.288  -4.192
ATOM    867 HG13 VAL    59      -5.601   2.335  -2.631
ATOM    868 CG2  VAL    59      -2.213   2.110  -3.227
ATOM    869 HG21 VAL    59      -1.411   1.529  -2.771
ATOM    870 HG22 VAL    59      -2.321   1.821  -4.273
ATOM    871 HG23 VAL    59      -1.972   3.171  -3.167
ATOM    872 C    VAL    59      -4.750   2.104  -0.336
ATOM    873 O    VAL    59      -5.510   1.185  -0.636
ATOM    874 N    GLU    60      -5.052   3.025   0.575
ATOM    875 H    GLU    60      -4.383   3.745   0.808
ATOM    876 CA   GLU    60      -6.323   3.004   1.290
ATOM    877 HA   GLU    60      -6.435   2.058   1.820
ATOM    878 CB   GLU    60      -6.379   4.145   2.308
ATOM    879 HB2  GLU    60      -6.011   5.043   1.812
ATOM    880 HB3  GLU    60      -7.424   4.285   2.584
ATOM    881 CG   GLU    60      -5.556   3.885   3.559
ATOM    882 HG2  GLU    60      -6.002   3.040   4.084
ATOM    883 HG3  GLU    60      -4.545   3.625   3.246
ATOM    884 CD   GLU    60      -5.505   5.085   4.484
ATOM    885 OE1  GLU    60      -6.548   5.412   5.088
ATOM    886 OE2  GLU    60      -4.423   5.697   4.605
ATOM    887 C    GLU    60      -7.494   3.117   0.319
ATOM    888 O    GLU    60      -7.474   3.932  -0.605
ATOM    889 N    LEU    61      -8.515   2.294   0.534
ATOM    890 H    LEU    61      -8.472   1.622   1.287
ATOM    891 CA   LEU    61      -9.696   2.300  -0.321
ATOM    892 HA   LEU    61      -9.451   2.736  -1.289
ATOM    893 CB   LEU    61     -10.198   0.872  -0.541
ATOM    894 HB2  LEU    61     -10.330   0.480   0.468
ATOM    895 HB3  LEU    61     -11.166   0.924  -1.040
ATOM    896 CG   LEU    61      -9.268  -0.052  -1.329
ATOM    897 HG   LEU    61      -8.239   0.135  -1.021
ATOM    898 CD1  LEU    61      -9.618  -1.509  -1.069
ATOM    899 HD11 LEU    61     -10.647  -1.697  -1.377
ATOM    900 HD12 LEU    61      -8.946  -2.152  -1.638
ATOM    901 HD13 LEU    61      -9.512  -1.724  -0.006
ATOM    902 CD2  LEU    61      -9.342   0.258  -2.817
ATOM    903 HD21 LEU    61      -9.042   1.292  -2.989
ATOM    904 HD22 LEU    61      -8.674  -0.409  -3.361
ATOM    905 HD23 LEU    61     -10.364   0.114  -3.168
ATOM    906 C    LEU    61     -10.805   3.152   0.287
ATOM    907 O    LEU    61     -10.609   3.804   1.312
ATOM    908 N    GLY    62     -11.972   3.140  -0.351
ATOM    909 H    GLY    62     -12.100   2.594  -1.191
ATOM    910 CA   GLY    62     -13.095   3.914   0.144
ATOM    911 HA2  GLY    62     -12.720   4.650   0.855
ATOM    912 HA3  GLY    62     -13.558   4.428  -0.699
ATOM    913 C    GLY    62     -14.137   3.052   0.829
ATOM    914 O    GLY    62     -14.644   3.407   1.893
ATOM    915 N    SER    63     -14.457   1.916   0.218
ATOM    916 H    SER    63     -14.033   1.680  -0.668
ATOM    917 CA   SER    63     -15.449   1.003   0.774
ATOM    918 HA   SER    63     -15.471   1.096   1.860
ATOM    919 CB   SER    63     -16.840   1.332   0.226
ATOM    920 HB2  SER    63     -16.736   1.688  -0.799
ATOM    921 HB3  SER    63     -17.443   0.424   0.236
ATOM    922 OG   SER    63     -17.474   2.328   1.010
ATOM    923 HG   SER    63     -18.343   2.516   0.647
ATOM    924 C    SER    63     -15.094  -0.446   0.453
ATOM    925 O    SER    63     -14.159  -0.714  -0.301
ATOM    926 N    GLU    64     -15.848  -1.376   1.031
ATOM    927 H    GLU    64     -16.586  -1.107   1.666
ATOM    928 CA   GLU    64     -15.612  -2.797   0.808
ATOM    929 HA   GLU    64     -14.611  -3.064   1.146
ATOM    930 CB   GLU    64     -16.630  -3.634   1.585
ATOM    931 HB2  GLU    64     -16.488  -3.419   2.644
ATOM    932 HB3  GLU    64     -17.623  -3.306   1.278
ATOM    933 CG   GLU    64     -16.496  -5.129   1.350
ATOM    934 HG2  GLU    64     -16.435  -5.295   0.274
ATOM    935 HG3  GLU    64     -15.571  -5.460   1.822
ATOM    936 CD   GLU    64     -17.661  -5.916   1.917
ATOM    937 OE1  GLU    64     -18.612  -5.285   2.425
ATOM    938 OE2  GLU    64     -17.624  -7.163   1.853
ATOM    939 C    GLU    64     -15.689  -3.134  -0.678
ATOM    940 O    GLU    64     -14.877  -3.903  -1.194
ATOM    941 N    ASP    65     -16.671  -2.555  -1.360
ATOM    942 H    ASP    65     -17.332  -1.957  -0.885
ATOM    943 CA   ASP    65     -16.855  -2.793  -2.787
ATOM    944 HA   ASP    65     -17.133  -3.833  -2.956
ATOM    945 CB   ASP    65     -17.964  -1.895  -3.337
ATOM    946 HB2  ASP    65     -17.577  -0.878  -3.395
ATOM    947 HB3  ASP    65     -18.215  -2.245  -4.338
ATOM    948 CG   ASP    65     -19.208  -1.914  -2.469
ATOM    949 OD1  ASP    65     -19.746  -3.015  -2.228
ATOM    950 OD2  ASP    65     -19.642  -0.829  -2.031
ATOM    951 C    ASP    65     -15.558  -2.545  -3.551
ATOM    952 O    ASP    65     -15.240  -3.259  -4.502
ATOM    953 N    ASP    66     -14.813  -1.529  -3.128
ATOM    954 H    ASP    66     -15.131  -0.953  -2.362
ATOM    955 CA   ASP    66     -13.551  -1.187  -3.773
ATOM    956 HA   ASP    66     -13.673  -1.200  -4.856
ATOM    957 CB   ASP    66     -13.100   0.211  -3.348
ATOM    958 HB2  ASP    66     -13.389   0.358  -2.307
ATOM    959 HB3  ASP    66     -12.014   0.252  -3.432
ATOM    960 CG   ASP    66     -13.714   1.303  -4.202
ATOM    961 OD1  ASP    66     -13.853   1.092  -5.425
ATOM    962 OD2  ASP    66     -14.058   2.367  -3.647
ATOM    963 C    ASP    66     -12.471  -2.209  -3.430
ATOM    964 O    ASP    66     -11.498  -2.370  -4.166
ATOM    965 N    VAL    67     -12.650  -2.897  -2.307
ATOM    966 H    VAL    67     -13.451  -2.709  -1.721
ATOM    967 CA   VAL    67     -11.692  -3.904  -1.867
ATOM    968 HA   VAL    67     -10.667  -3.535  -1.911
ATOM    969 CB   VAL    67     -11.987  -4.369  -0.428
ATOM    970 HB   VAL    67     -12.971  -4.838  -0.402
ATOM    971 CG1  VAL    67     -10.938  -5.367   0.037
ATOM    972 HG11 VAL    67      -9.954  -4.899   0.012
ATOM    973 HG12 VAL    67     -11.163  -5.684   1.055
ATOM    974 HG13 VAL    67     -10.944  -6.235  -0.623
ATOM    975 CG2  VAL    67     -12.054  -3.176   0.513
ATOM    976 HG21 VAL    67     -12.847  -2.501   0.189
ATOM    977 HG22 VAL    67     -12.263  -3.522   1.525
ATOM    978 HG23 VAL    67     -11.100  -2.648   0.500
ATOM    979 C    VAL    67     -11.703  -5.115  -2.792
ATOM    980 O    VAL    67     -10.654  -5.575  -3.245
ATOM    981 N    LYS    68     -12.896  -5.629  -3.072
ATOM    982 H    LYS    68     -13.726  -5.234  -2.653
ATOM    983 CA   LYS    68     -13.046  -6.787  -3.945
ATOM    984 HA   LYS    68     -12.418  -7.604  -3.589
ATOM    985 CB   LYS    68     -14.501  -7.258  -3.957
ATOM    986 HB2  LYS    68     -15.075  -6.530  -4.531
ATOM    987 HB3  LYS    68     -14.527  -8.222  -4.465
ATOM    988 CG   LYS    68     -15.106  -7.400  -2.570
ATOM    989 HG2  LYS    68     -14.688  -8.291  -2.101
ATOM    990 HG3  LYS    68     -14.836  -6.521  -1.984
ATOM    991 CD   LYS    68     -16.619  -7.522  -2.631
ATOM    992 HD2  LYS    68     -16.870  -8.454  -3.138
ATOM    993 HD3  LYS    68     -17.005  -7.548  -1.612
ATOM    994 CE   LYS    68     -17.243  -6.354  -3.379
ATOM    995 HE2  LYS    68     -18.074  -5.973  -2.786
ATOM    996 HE3  LYS    68     -16.488  -5.575  -3.488
ATOM    997 NZ   LYS    68     -17.738  -6.757  -4.724
ATOM    998 HZ1  LYS    68     -18.438  -7.478  -4.623
ATOM    999 HZ2  LYS    68     -18.144  -5.956  -5.187
ATOM   1000 HZ3  LYS    68     -16.968  -7.110  -5.274
ATOM   1001 C    LYS    68     -12.596  -6.458  -5.365
ATOM   1002 O    LYS    68     -11.883  -7.238  -5.997
ATOM   1003 N    MET    69     -13.015  -5.299  -5.861
ATOM   1004 H    MET    69     -13.625  -4.706  -5.316
ATOM   1005 CA   MET    69     -12.652  -4.867  -7.206
ATOM   1006 HA   MET    69     -12.913  -5.641  -7.928
ATOM   1007 CB   MET    69     -13.403  -3.585  -7.572
ATOM   1008 HB2  MET    69     -13.456  -2.970  -6.673
ATOM   1009 HB3  MET    69     -12.815  -3.068  -8.331
ATOM   1010 CG   MET    69     -14.806  -3.832  -8.100
ATOM   1011 HG2  MET    69     -14.769  -4.689  -8.773
ATOM   1012 HG3  MET    69     -15.452  -4.063  -7.253
ATOM   1013 SD   MET    69     -15.476  -2.411  -8.985
ATOM   1014 CE   MET    69     -15.737  -1.264  -7.635
ATOM   1015 HE1  MET    69     -14.787  -1.061  -7.141
ATOM   1016 HE2  MET    69     -16.150  -0.333  -8.023
ATOM   1017 HE3  MET    69     -16.433  -1.699  -6.918
ATOM   1018 C    MET    69     -11.148  -4.638  -7.316
ATOM   1019 O    MET    69     -10.562  -4.809  -8.385
ATOM   1020 N    ALA    70     -10.530  -4.252  -6.205
ATOM   1021 H    ALA    70     -11.061  -4.084  -5.362
ATOM   1022 CA   ALA    70      -9.094  -4.003  -6.178
ATOM   1023 HA   ALA    70      -8.800  -3.528  -7.114
ATOM   1024 CB   ALA    70      -8.742  -3.070  -5.028
ATOM   1025 HB1  ALA    70      -9.022  -3.535  -4.083
ATOM   1026 HB2  ALA    70      -7.670  -2.875  -5.033
ATOM   1027 HB3  ALA    70      -9.282  -2.130  -5.144
ATOM   1028 C    ALA    70      -8.312  -5.307  -6.061
ATOM   1029 O    ALA    70      -7.135  -5.371  -6.419
ATOM   1030 N    LEU    71      -8.972  -6.344  -5.558
ATOM   1031 H    LEU    71      -9.927  -6.233  -5.249
ATOM   1032 CA   LEU    71      -8.339  -7.648  -5.394
ATOM   1033 HA   LEU    71      -7.323  -7.523  -5.018
ATOM   1034 CB   LEU    71      -9.128  -8.498  -4.397
ATOM   1035 HB2  LEU    71     -10.130  -8.070  -4.423
ATOM   1036 HB3  LEU    71      -9.160  -9.521  -4.771
ATOM   1037 CG   LEU    71      -8.611  -8.498  -2.958
ATOM   1038 HG   LEU    71      -7.841  -9.263  -2.858
ATOM   1039 CD1  LEU    71      -8.025  -7.141  -2.601
ATOM   1040 HD11 LEU    71      -8.794  -6.375  -2.700
ATOM   1041 HD12 LEU    71      -7.662  -7.160  -1.573
ATOM   1042 HD13 LEU    71      -7.198  -6.914  -3.273
ATOM   1043 CD2  LEU    71      -9.725  -8.872  -1.991
ATOM   1044 HD21 LEU    71     -10.098  -9.867  -2.233
ATOM   1045 HD22 LEU    71      -9.339  -8.867  -0.972
ATOM   1046 HD23 LEU    71     -10.537  -8.150  -2.075
ATOM   1047 C    LEU    71      -8.235  -8.375  -6.730
ATOM   1048 O    LEU    71      -7.339  -9.193  -6.937
ATOM   1049 N    LYS    72      -9.158  -8.071  -7.637
ATOM   1050 H    LYS    72      -9.893  -7.417  -7.409
ATOM   1051 CA   LYS    72      -9.170  -8.692  -8.956
ATOM   1052 HA   LYS    72      -9.273  -9.773  -8.856
ATOM   1053 CB   LYS    72     -10.345  -8.163  -9.781
ATOM   1054 HB2  LYS    72     -10.176  -7.099  -9.945
ATOM   1055 HB3  LYS    72     -10.332  -8.684 -10.738
ATOM   1056 CG   LYS    72     -11.695  -8.364  -9.114
ATOM   1057 HG2  LYS    72     -11.661  -7.912  -8.123
ATOM   1058 HG3  LYS    72     -12.455  -7.864  -9.715
ATOM   1059 CD   LYS    72     -12.040  -9.838  -8.987
ATOM   1060 HD2  LYS    72     -12.722 -10.104  -9.795
ATOM   1061 HD3  LYS    72     -11.122 -10.417  -9.082
ATOM   1062 CE   LYS    72     -12.696 -10.143  -7.649
ATOM   1063 HE2  LYS    72     -13.002  -9.200  -7.195
ATOM   1064 HE3  LYS    72     -13.576 -10.760  -7.832
ATOM   1065 NZ   LYS    72     -11.771 -10.860  -6.728
ATOM   1066 HZ1  LYS    72     -10.956 -10.289  -6.558
ATOM   1067 HZ2  LYS    72     -12.242 -11.044  -5.854
ATOM   1068 HZ3  LYS    72     -11.488 -11.734  -7.148
ATOM   1069 C    LYS    72      -7.860  -8.431  -9.692
ATOM   1070 O    LYS    72      -7.383  -9.275 -10.450
ATOM   1071 N    LYS    73      -7.282  -7.257  -9.463
ATOM   1072 H    LYS    73      -7.729  -6.584  -8.857
ATOM   1073 CA   LYS    73      -6.025  -6.884 -10.102
ATOM   1074 HA   LYS    73      -5.846  -7.520 -10.969
ATOM   1075 CB   LYS    73      -6.078  -5.427 -10.567
ATOM   1076 HB2  LYS    73      -5.514  -4.834  -9.847
ATOM   1077 HB3  LYS    73      -5.589  -5.378 -11.540
ATOM   1078 CG   LYS    73      -7.488  -4.876 -10.681
ATOM   1079 HG2  LYS    73      -7.534  -4.221 -11.551
ATOM   1080 HG3  LYS    73      -8.175  -5.711 -10.819
ATOM   1081 CD   LYS    73      -7.883  -4.095  -9.438
ATOM   1082 HD2  LYS    73      -8.909  -3.749  -9.559
ATOM   1083 HD3  LYS    73      -7.824  -4.762  -8.578
ATOM   1084 CE   LYS    73      -6.968  -2.900  -9.217
ATOM   1085 HE2  LYS    73      -7.468  -2.207  -8.541
ATOM   1086 HE3  LYS    73      -6.047  -3.255  -8.756
ATOM   1087 NZ   LYS    73      -6.647  -2.203 -10.494
ATOM   1088 HZ1  LYS    73      -7.501  -1.873 -10.921
ATOM   1089 HZ2  LYS    73      -6.040  -1.418 -10.306
ATOM   1090 HZ3  LYS    73      -6.183  -2.845 -11.121
ATOM   1091 C    LYS    73      -4.850  -7.083  -9.150
ATOM   1092 O    LYS    73      -4.015  -6.194  -8.986
ATOM   1093 N    ASP    74      -4.793  -8.254  -8.525
ATOM   1094 H    ASP    74      -5.521  -8.939  -8.666
ATOM   1095 CA   ASP    74      -3.718  -8.570  -7.591
ATOM   1096 HA   ASP    74      -3.448  -7.681  -7.022
ATOM   1097 CB   ASP    74      -4.167  -9.658  -6.614
ATOM   1098 HB2  ASP    74      -3.498  -9.637  -5.754
ATOM   1099 HB3  ASP    74      -5.181  -9.422  -6.291
ATOM   1100 CG   ASP    74      -4.145 -11.040  -7.237
ATOM   1101 OD1  ASP    74      -4.972 -11.300  -8.136
ATOM   1102 OD2  ASP    74      -3.299 -11.862  -6.826
ATOM   1103 C    ASP    74      -2.466  -9.022  -8.335
ATOM   1104 O    ASP    74      -1.472  -9.407  -7.720
ATOM   1105 N    ARG    75      -2.522  -8.973  -9.662
ATOM   1106 H    ARG    75      -3.371  -8.677 -10.122
ATOM   1107 CA   ARG    75      -1.394  -9.380 -10.490
ATOM   1108 HA   ARG    75      -0.482  -8.902 -10.134
ATOM   1109 CB   ARG    75      -1.207 -10.897 -10.427
ATOM   1110 HB2  ARG    75      -0.762 -11.210 -11.372
ATOM   1111 HB3  ARG    75      -0.514 -11.107  -9.613
ATOM   1112 CG   ARG    75      -2.501 -11.660 -10.199
ATOM   1113 HG2  ARG    75      -3.084 -11.134  -9.443
ATOM   1114 HG3  ARG    75      -3.058 -11.683 -11.136
ATOM   1115 CD   ARG    75      -2.234 -13.083  -9.733
ATOM   1116 HD2  ARG    75      -1.414 -13.500 -10.318
ATOM   1117 HD3  ARG    75      -1.955 -13.065  -8.679
ATOM   1118 NE   ARG    75      -3.406 -13.940  -9.892
ATOM   1119 HE   ARG    75      -4.259 -13.517 -10.230
ATOM   1120 CZ   ARG    75      -3.408 -15.240  -9.618
ATOM   1121 NH1  ARG    75      -2.307 -15.829  -9.173
ATOM   1122 HH11 ARG    75      -1.465 -15.286  -9.042
ATOM   1123 HH12 ARG    75      -2.315 -16.818  -8.967
ATOM   1124 NH2  ARG    75      -4.514 -15.953  -9.788
ATOM   1125 HH21 ARG    75      -5.353 -15.504 -10.126
ATOM   1126 HH22 ARG    75      -4.511 -16.941  -9.579
ATOM   1127 C    ARG    75      -1.596  -8.942 -11.938
ATOM   1128 O    ARG    75      -1.112  -9.590 -12.865
ATOM   1129 N    GLU    76      -2.314  -7.839 -12.122
ATOM   1130 H    GLU    76      -2.716  -7.358 -11.330
ATOM   1131 CA   GLU    76      -2.581  -7.316 -13.457
ATOM   1132 HA   GLU    76      -2.878  -8.128 -14.120
ATOM   1133 CB   GLU    76      -3.711  -6.285 -13.409
ATOM   1134 HB2  GLU    76      -3.986  -6.152 -12.363
ATOM   1135 HB3  GLU    76      -3.314  -5.349 -13.802
ATOM   1136 CG   GLU    76      -4.939  -6.689 -14.207
ATOM   1137 HG2  GLU    76      -5.105  -7.755 -14.048
ATOM   1138 HG3  GLU    76      -5.790  -6.128 -13.821
ATOM   1139 CD   GLU    76      -4.786  -6.417 -15.691
ATOM   1140 OE1  GLU    76      -5.359  -5.417 -16.172
ATOM   1141 OE2  GLU    76      -4.095  -7.204 -16.371
ATOM   1142 C    GLU    76      -1.327  -6.685 -14.055
ATOM   1143 O    GLU    76      -0.229  -6.830 -13.518
ATOM   1144 N    SER    77      -1.499  -5.985 -15.172
ATOM   1145 H    SER    77      -2.416  -5.918 -15.591
ATOM   1146 CA   SER    77      -0.381  -5.335 -15.847
ATOM   1147 HA   SER    77       0.469  -5.259 -15.168
ATOM   1148 CB   SER    77       0.043  -6.146 -17.073
ATOM   1149 HB2  SER    77       1.044  -6.542 -16.901
ATOM   1150 HB3  SER    77      -0.656  -6.972 -17.204
ATOM   1151 OG   SER    77       0.048  -5.342 -18.239
ATOM   1152 HG   SER    77       0.317  -5.873 -18.992
ATOM   1153 C    SER    77      -0.750  -3.915 -16.265
ATOM   1154 O    SER    77      -1.609  -3.713 -17.123
ATOM   1155 N    MET    78      -0.094  -2.935 -15.652
ATOM   1156 H    MET    78       0.581  -3.150 -14.932
ATOM   1157 CA   MET    78      -0.352  -1.534 -15.961
ATOM   1158 HA   MET    78      -1.311  -1.437 -16.470
ATOM   1159 CB   MET    78      -0.395  -0.705 -14.675
ATOM   1160 HB2  MET    78      -1.260  -1.037 -14.102
ATOM   1161 HB3  MET    78       0.515  -0.922 -14.116
ATOM   1162 CG   MET    78      -0.494   0.792 -14.920
ATOM   1163 HG2  MET    78      -0.556   0.957 -15.996
ATOM   1164 HG3  MET    78      -1.405   1.155 -14.444
ATOM   1165 SD   MET    78       0.919   1.698 -14.262
ATOM   1166 CE   MET    78       0.711   1.422 -12.505
ATOM   1167 HE1  MET    78       0.745   0.352 -12.298
ATOM   1168 HE2  MET    78       1.512   1.922 -11.961
ATOM   1169 HE3  MET    78      -0.251   1.823 -12.185
ATOM   1170 C    MET    78       0.714  -0.979 -16.901
ATOM   1171 O    MET    78       1.664  -0.331 -16.465
ATOM   1172 N    GLY    79       0.549  -1.239 -18.195
ATOM   1173 H    GLY    79      -0.243  -1.775 -18.520
ATOM   1174 CA   GLY    79       1.504  -0.759 -19.176
ATOM   1175 HA2  GLY    79       1.041  -0.809 -20.162
ATOM   1176 HA3  GLY    79       1.748   0.277 -18.942
ATOM   1177 C    GLY    79       2.781  -1.576 -19.189
ATOM   1178 O    GLY    79       3.881  -1.023 -19.181
ATOM   1179 N    HID    80       2.636  -2.897 -19.207
ATOM   1180 H    HID    80       1.712  -3.305 -19.180
ATOM   1181 CA   HID    80       3.788  -3.793 -19.221
ATOM   1182 HA   HID    80       3.455  -4.823 -19.350
ATOM   1183 CB   HID    80       4.726  -3.434 -20.374
ATOM   1184 HB2  HID    80       4.148  -3.125 -21.245
ATOM   1185 HB3  HID    80       5.397  -2.627 -20.079
ATOM   1186 CG   HID    80       5.593  -4.572 -20.817
ATOM   1187 ND1  HID    80       6.965  -4.572 -20.678
ATOM   1188 HD1  HID    80       7.501  -3.818 -20.273
ATOM   1189 CE1  HID    80       7.453  -5.703 -21.155
ATOM   1190 HE1  HID    80       8.526  -5.895 -21.136
ATOM   1191 NE2  HID    80       6.449  -6.437 -21.598
ATOM   1192 CD2  HID    80       5.275  -5.753 -21.397
ATOM   1193 HD2  HID    80       4.327  -6.198 -21.698
ATOM   1194 C    HID    80       4.542  -3.727 -17.896
ATOM   1195 O    HID    80       5.684  -3.268 -17.843
ATOM   1196 N    ARG    81       3.897  -4.187 -16.829
ATOM   1197 H    ARG    81       2.950  -4.526 -16.918
ATOM   1198 CA   ARG    81       4.506  -4.178 -15.505
ATOM   1199 HA   ARG    81       5.549  -4.486 -15.575
ATOM   1200 CB   ARG    81       4.450  -2.773 -14.904
ATOM   1201 HB2  ARG    81       4.754  -2.073 -15.683
ATOM   1202 HB3  ARG    81       3.414  -2.579 -14.626
ATOM   1203 CG   ARG    81       5.343  -2.595 -13.687
ATOM   1204 HG2  ARG    81       5.253  -1.566 -13.340
ATOM   1205 HG3  ARG    81       5.001  -3.273 -12.905
ATOM   1206 CD   ARG    81       6.798  -2.893 -14.015
ATOM   1207 HD2  ARG    81       6.886  -3.104 -15.081
ATOM   1208 HD3  ARG    81       7.404  -2.021 -13.767
ATOM   1209 NE   ARG    81       7.303  -4.042 -13.267
ATOM   1210 HE   ARG    81       6.816  -4.308 -12.423
ATOM   1211 CZ   ARG    81       8.364  -4.751 -13.637
ATOM   1212 NH1  ARG    81       9.028  -4.430 -14.739
ATOM   1213 HH11 ARG    81       8.725  -3.644 -15.297
ATOM   1214 HH12 ARG    81       9.834  -4.972 -15.015
ATOM   1215 NH2  ARG    81       8.762  -5.782 -12.904
ATOM   1216 HH21 ARG    81       8.256  -6.026 -12.064
ATOM   1217 HH22 ARG    81       9.569  -6.318 -13.189
ATOM   1218 C    ARG    81       3.806  -5.168 -14.578
ATOM   1219 O    ARG    81       2.688  -5.606 -14.851
ATOM   1220 N    TYR    82       4.472  -5.516 -13.482
ATOM   1221 H    TYR    82       5.399  -5.152 -13.315
ATOM   1222 CA   TYR    82       3.915  -6.456 -12.517
ATOM   1223 HA   TYR    82       3.170  -7.087 -13.001
ATOM   1224 CB   TYR    82       5.019  -7.350 -11.950
ATOM   1225 HB2  TYR    82       5.639  -7.672 -12.787
ATOM   1226 HB3  TYR    82       5.615  -6.741 -11.270
ATOM   1227 CG   TYR    82       4.497  -8.564 -11.214
ATOM   1228 CD1  TYR    82       5.348  -9.601 -10.854
ATOM   1229 HD1  TYR    82       6.405  -9.527 -11.111
ATOM   1230 CE1  TYR    82       4.876 -10.712 -10.182
ATOM   1231 HE1  TYR    82       5.555 -11.518  -9.905
ATOM   1232 CZ   TYR    82       3.537 -10.797  -9.860
ATOM   1233 OH   TYR    82       3.061 -11.901  -9.191
ATOM   1234 HH   TYR    82       3.745 -12.547  -8.999
ATOM   1235 CE2  TYR    82       2.672  -9.780 -10.207
ATOM   1236 HE2  TYR    82       1.614  -9.846  -9.953
ATOM   1237 CD2  TYR    82       3.153  -8.673 -10.880
ATOM   1238 HD2  TYR    82       2.474  -7.867 -11.158
ATOM   1239 C    TYR    82       3.210  -5.719 -11.383
ATOM   1240 O    TYR    82       3.841  -5.300 -10.412
ATOM   1241 N    ILE    83       1.896  -5.564 -11.513
ATOM   1242 H    ILE    83       1.426  -5.900 -12.342
ATOM   1243 CA   ILE    83       1.104  -4.879 -10.500
ATOM   1244 HA   ILE    83       1.743  -4.262  -9.868
ATOM   1245 CB   ILE    83       0.012  -4.000 -11.138
ATOM   1246 HB   ILE    83      -0.811  -4.636 -11.464
ATOM   1247 CG2  ILE    83      -0.503  -2.981 -10.132
ATOM   1248 HG21 ILE    83       0.319  -2.344  -9.806
ATOM   1249 HG22 ILE    83      -1.274  -2.367 -10.598
ATOM   1250 HG23 ILE    83      -0.924  -3.500  -9.271
ATOM   1251 CG1  ILE    83       0.555  -3.298 -12.384
ATOM   1252 HG12 ILE    83       0.613  -4.042 -13.178
ATOM   1253 HG13 ILE    83      -0.162  -2.526 -12.662
ATOM   1254 CD1  ILE    83       1.916  -2.671 -12.180
ATOM   1255 HD11 ILE    83       2.634  -3.443 -11.902
ATOM   1256 HD12 ILE    83       2.238  -2.192 -13.104
ATOM   1257 HD13 ILE    83       1.858  -1.926 -11.386
ATOM   1258 C    ILE    83       0.448  -5.874  -9.549
ATOM   1259 O    ILE    83      -0.442  -6.628  -9.941
ATOM   1260 N    GLU    84       0.894  -5.870  -8.296
ATOM   1261 H    GLU    84       1.648  -5.253  -8.029
ATOM   1262 CA   GLU    84       0.350  -6.773  -7.289
ATOM   1263 HA   GLU    84      -0.267  -7.533  -7.768
ATOM   1264 CB   GLU    84       1.481  -7.468  -6.530
ATOM   1265 HB2  GLU    84       2.365  -6.835  -6.611
ATOM   1266 HB3  GLU    84       1.178  -7.536  -5.485
ATOM   1267 CG   GLU    84       1.803  -8.857  -7.055
ATOM   1268 HG2  GLU    84       0.867  -9.327  -7.357
ATOM   1269 HG3  GLU    84       2.449  -8.744  -7.925
ATOM   1270 CD   GLU    84       2.494  -9.726  -6.022
ATOM   1271 OE1  GLU    84       2.667  -9.260  -4.876
ATOM   1272 OE2  GLU    84       2.861 -10.871  -6.359
ATOM   1273 C    GLU    84      -0.546  -6.019  -6.310
ATOM   1274 O    GLU    84      -0.381  -4.817  -6.099
ATOM   1275 N    VAL    85      -1.496  -6.734  -5.716
ATOM   1276 H    VAL    85      -1.611  -7.711  -5.943
ATOM   1277 CA   VAL    85      -2.418  -6.134  -4.759
ATOM   1278 HA   VAL    85      -1.954  -5.317  -4.206
ATOM   1279 CB   VAL    85      -3.682  -5.599  -5.458
ATOM   1280 HB   VAL    85      -4.254  -6.441  -5.848
ATOM   1281 CG1  VAL    85      -4.541  -4.812  -4.479
ATOM   1282 HG11 VAL    85      -3.969  -3.970  -4.089
ATOM   1283 HG12 VAL    85      -5.429  -4.442  -4.991
ATOM   1284 HG13 VAL    85      -4.840  -5.460  -3.655
ATOM   1285 CG2  VAL    85      -3.306  -4.742  -6.657
ATOM   1286 HG21 VAL    85      -2.736  -5.340  -7.367
ATOM   1287 HG22 VAL    85      -4.211  -4.373  -7.139
ATOM   1288 HG23 VAL    85      -2.701  -3.898  -6.326
ATOM   1289 C    VAL    85      -2.829  -7.138  -3.688
ATOM   1290 O    VAL    85      -3.352  -8.209  -3.994
ATOM   1291 N    PHE    86      -2.589  -6.784  -2.430
ATOM   1292 H    PHE    86      -2.129  -5.907  -2.230
ATOM   1293 CA   PHE    86      -2.934  -7.654  -1.312
ATOM   1294 HA   PHE    86      -3.409  -8.563  -1.682
ATOM   1295 CB   PHE    86      -1.676  -8.042  -0.533
ATOM   1296 HB2  PHE    86      -0.883  -8.337  -1.221
ATOM   1297 HB3  PHE    86      -1.336  -7.204   0.075
ATOM   1298 CG   PHE    86      -1.883  -9.197   0.405
ATOM   1299 CD1  PHE    86      -1.706 -10.500  -0.030
ATOM   1300 HD1  PHE    86      -1.414 -10.681  -1.064
ATOM   1301 CE1  PHE    86      -1.896 -11.565   0.831
ATOM   1302 HE1  PHE    86      -1.753 -12.586   0.477
ATOM   1303 CZ   PHE    86      -2.267 -11.334   2.141
ATOM   1304 HZ   PHE    86      -2.419 -12.171   2.823
ATOM   1305 CE2  PHE    86      -2.445 -10.039   2.587
ATOM   1306 HE2  PHE    86      -2.735  -9.853   3.621
ATOM   1307 CD2  PHE    86      -2.255  -8.979   1.722
ATOM   1308 HD2  PHE    86      -2.398  -7.957   2.073
ATOM   1309 C    PHE    86      -3.933  -6.974  -0.381
ATOM   1310 O    PHE    86      -3.852  -5.770  -0.136
ATOM   1311 N    LYS    87      -4.877  -7.754   0.136
ATOM   1312 H    LYS    87      -4.922  -8.730  -0.120
ATOM   1313 CA   LYS    87      -5.892  -7.229   1.042
ATOM   1314 HA   LYS    87      -6.357  -6.345   0.606
ATOM   1315 CB   LYS    87      -6.977  -8.281   1.289
ATOM   1316 HB2  LYS    87      -7.033  -8.907   0.399
ATOM   1317 HB3  LYS    87      -6.658  -8.885   2.138
ATOM   1318 CG   LYS    87      -8.345  -7.687   1.576
ATOM   1319 HG2  LYS    87      -8.207  -6.699   2.016
ATOM   1320 HG3  LYS    87      -8.885  -7.593   0.634
ATOM   1321 CD   LYS    87      -9.142  -8.560   2.532
ATOM   1322 HD2  LYS    87      -9.133  -9.583   2.155
ATOM   1323 HD3  LYS    87      -8.662  -8.529   3.510
ATOM   1324 CE   LYS    87     -10.579  -8.079   2.658
ATOM   1325 HE2  LYS    87     -10.570  -6.992   2.743
ATOM   1326 HE3  LYS    87     -11.118  -8.368   1.756
ATOM   1327 NZ   LYS    87     -11.256  -8.664   3.849
ATOM   1328 HZ1  LYS    87     -10.757  -8.396   4.685
ATOM   1329 HZ2  LYS    87     -12.205  -8.322   3.898
ATOM   1330 HZ3  LYS    87     -11.264  -9.671   3.771
ATOM   1331 C    LYS    87      -5.271  -6.802   2.368
ATOM   1332 O    LYS    87      -4.456  -7.523   2.943
ATOM   1333 N    SER    88      -5.663  -5.627   2.848
ATOM   1334 H    SER    88      -6.313  -5.058   2.325
ATOM   1335 CA   SER    88      -5.143  -5.103   4.106
ATOM   1336 HA   SER    88      -4.684  -5.907   4.681
ATOM   1337 CB   SER    88      -4.087  -4.030   3.838
ATOM   1338 HB2  SER    88      -3.409  -4.393   3.066
ATOM   1339 HB3  SER    88      -4.587  -3.128   3.486
ATOM   1340 OG   SER    88      -3.351  -3.734   5.012
ATOM   1341 HG   SER    88      -2.696  -3.059   4.818
ATOM   1342 C    SER    88      -6.267  -4.525   4.960
ATOM   1343 O    SER    88      -7.409  -4.981   4.896
ATOM   1344 N    HID    89      -5.935  -3.516   5.760
ATOM   1345 H    HID    89      -4.978  -3.196   5.800
ATOM   1346 CA   HID    89      -6.916  -2.874   6.628
ATOM   1347 HA   HID    89      -7.887  -2.846   6.133
ATOM   1348 CB   HID    89      -7.057  -3.651   7.937
ATOM   1349 HB2  HID    89      -7.251  -2.966   8.762
ATOM   1350 HB3  HID    89      -7.873  -4.370   7.863
ATOM   1351 CG   HID    89      -5.833  -4.430   8.306
ATOM   1352 ND1  HID    89      -4.937  -4.013   9.267
ATOM   1353 HD1  HID    89      -5.023  -3.160   9.800
ATOM   1354 CE1  HID    89      -3.963  -4.900   9.373
ATOM   1355 HE1  HID    89      -3.150  -4.750  10.083
ATOM   1356 NE2  HID    89      -4.196  -5.878   8.517
ATOM   1357 CD2  HID    89      -5.358  -5.608   7.837
ATOM   1358 HD2  HID    89      -5.720  -6.303   7.080
ATOM   1359 C    HID    89      -6.519  -1.430   6.920
ATOM   1360 O    HID    89      -7.230  -0.494   6.554
ATOM   1361 N    ARG    90      -5.380  -1.257   7.582
ATOM   1362 H    ARG    90      -4.846  -2.058   7.888
ATOM   1363 CA   ARG    90      -4.890   0.073   7.925
ATOM   1364 HA   ARG    90      -4.539   0.582   7.027
ATOM   1365 CB   ARG    90      -6.009   0.906   8.553
ATOM   1366 HB2  ARG    90      -6.850   0.237   8.735
ATOM   1367 HB3  ARG    90      -5.637   1.288   9.504
ATOM   1368 CG   ARG    90      -6.464   2.067   7.685
ATOM   1369 HG2  ARG    90      -5.907   2.038   6.749
ATOM   1370 HG3  ARG    90      -7.528   1.948   7.478
ATOM   1371 CD   ARG    90      -6.228   3.403   8.374
ATOM   1372 HD2  ARG    90      -6.364   3.278   9.448
ATOM   1373 HD3  ARG    90      -5.208   3.730   8.174
ATOM   1374 NE   ARG    90      -7.151   4.432   7.902
ATOM   1375 HE   ARG    90      -6.804   5.110   7.238
ATOM   1376 CZ   ARG    90      -8.416   4.522   8.298
ATOM   1377 NH1  ARG    90      -8.906   3.649   9.168
ATOM   1378 HH11 ARG    90      -8.314   2.914   9.529
ATOM   1379 HH12 ARG    90      -9.868   3.723   9.465
ATOM   1380 NH2  ARG    90      -9.194   5.487   7.824
ATOM   1381 HH21 ARG    90      -8.821   6.152   7.162
ATOM   1382 HH22 ARG    90     -10.155   5.552   8.128
ATOM   1383 C    ARG    90      -3.706  -0.015   8.884
ATOM   1384 O    ARG    90      -2.677   0.629   8.678
ATOM   1385 N    THR    91      -3.860  -0.815   9.935
ATOM   1386 H    THR    91      -4.733  -1.303  10.076
ATOM   1387 CA   THR    91      -2.806  -0.985  10.927
ATOM   1388 HA   THR    91      -2.636  -0.054  11.467
ATOM   1389 CB   THR    91      -3.165  -2.085  11.944
ATOM   1390 HB   THR    91      -3.402  -3.001  11.403
ATOM   1391 CG2  THR    91      -2.005  -2.343  12.893
ATOM   1392 HG21 THR    91      -1.768  -1.428  13.435
ATOM   1393 HG22 THR    91      -2.282  -3.123  13.602
ATOM   1394 HG23 THR    91      -1.133  -2.663  12.323
ATOM   1395 OG1  THR    91      -4.324  -1.700  12.693
ATOM   1396 HG1  THR    91      -4.541  -2.390  13.324
ATOM   1397 C    THR    91      -1.479  -1.336  10.264
ATOM   1398 O    THR    91      -0.513  -0.579  10.352
ATOM   1399 N    GLU    92      -1.440  -2.487   9.601
ATOM   1400 H    GLU    92      -2.251  -3.089   9.583
ATOM   1401 CA   GLU    92      -0.229  -2.937   8.923
ATOM   1402 HA   GLU    92       0.558  -3.122   9.654
ATOM   1403 CB   GLU    92      -0.499  -4.233   8.156
ATOM   1404 HB2  GLU    92      -0.794  -4.988   8.885
ATOM   1405 HB3  GLU    92      -1.329  -4.042   7.476
ATOM   1406 CG   GLU    92       0.698  -4.733   7.366
ATOM   1407 HG2  GLU    92       0.539  -4.478   6.318
ATOM   1408 HG3  GLU    92       1.583  -4.215   7.735
ATOM   1409 CD   GLU    92       0.899  -6.231   7.496
ATOM   1410 OE1  GLU    92       2.067  -6.673   7.508
ATOM   1411 OE2  GLU    92      -0.111  -6.959   7.586
ATOM   1412 C    GLU    92       0.289  -1.866   7.968
ATOM   1413 O    GLU    92       1.490  -1.775   7.713
ATOM   1414 N    MET    93      -0.625  -1.057   7.443
ATOM   1415 H    MET    93      -1.603  -1.191   7.658
ATOM   1416 CA   MET    93      -0.261   0.008   6.516
ATOM   1417 HA   MET    93       0.506  -0.347   5.827
ATOM   1418 CB   MET    93      -1.481   0.448   5.705
ATOM   1419 HB2  MET    93      -1.723  -0.361   5.015
ATOM   1420 HB3  MET    93      -2.305   0.587   6.405
ATOM   1421 CG   MET    93      -1.260   1.732   4.922
ATOM   1422 HG2  MET    93      -0.203   1.794   4.663
ATOM   1423 HG3  MET    93      -1.855   1.680   4.010
ATOM   1424 SD   MET    93      -1.729   3.203   5.853
ATOM   1425 CE   MET    93      -3.426   2.813   6.270
ATOM   1426 HE1  MET    93      -3.454   1.897   6.860
ATOM   1427 HE2  MET    93      -3.856   3.631   6.849
ATOM   1428 HE3  MET    93      -4.003   2.674   5.356
ATOM   1429 C    MET    93       0.325   1.202   7.263
ATOM   1430 O    MET    93       1.165   1.929   6.732
ATOM   1431 N    ASP    94      -0.124   1.399   8.498
ATOM   1432 H    ASP    94      -0.838   0.795   8.879
ATOM   1433 CA   ASP    94       0.356   2.505   9.319
ATOM   1434 HA   ASP    94       0.608   3.355   8.685
ATOM   1435 CB   ASP    94      -0.725   2.939  10.311
ATOM   1436 HB2  ASP    94      -1.502   2.174  10.319
ATOM   1437 HB3  ASP    94      -0.269   3.003  11.299
ATOM   1438 CG   ASP    94      -1.338   4.278   9.950
ATOM   1439 OD1  ASP    94      -1.068   5.266  10.665
ATOM   1440 OD2  ASP    94      -2.087   4.338   8.953
ATOM   1441 C    ASP    94       1.625   2.114  10.069
ATOM   1442 O    ASP    94       2.321   2.968  10.618
ATOM   1443 N    TRP    95       1.919   0.819  10.089
ATOM   1444 H    TRP    95       1.299   0.153   9.651
ATOM   1445 CA   TRP    95       3.104   0.315  10.773
ATOM   1446 HA   TRP    95       3.334   0.947  11.631
ATOM   1447 CB   TRP    95       2.864  -1.113  11.268
ATOM   1448 HB2  TRP    95       1.895  -1.183  11.762
ATOM   1449 HB3  TRP    95       2.898  -1.815  10.435
ATOM   1450 CG   TRP    95       3.886  -1.577  12.261
ATOM   1451 CD1  TRP    95       3.802  -1.498  13.622
ATOM   1452 HD1  TRP    95       2.898  -1.052  14.037
ATOM   1453 NE1  TRP    95       4.934  -2.025  14.194
ATOM   1454 HE1  TRP    95       5.119  -2.082  15.185
ATOM   1455 CE2  TRP    95       5.774  -2.458  13.202
ATOM   1456 CZ2  TRP    95       7.028  -3.058  13.284
ATOM   1457 HZ2  TRP    95       7.454  -3.234  14.272
ATOM   1458 CH2  TRP    95       7.650  -3.391  12.112
ATOM   1459 HH2  TRP    95       8.632  -3.864  12.137
ATOM   1460 CZ3  TRP    95       7.050  -3.137  10.872
ATOM   1461 HZ3  TRP    95       7.552  -3.405   9.942
ATOM   1462 CE3  TRP    95       5.806  -2.541  10.789
ATOM   1463 HE3  TRP    95       5.383  -2.369   9.799
ATOM   1464 CD2  TRP    95       5.147  -2.190  11.970
ATOM   1465 C    TRP    95       4.320   0.350   9.854
ATOM   1466 O    TRP    95       5.286   1.067  10.113
ATOM   1467 N    VAL    96       4.265  -0.429   8.778
ATOM   1468 H    VAL    96       3.462  -1.021   8.622
ATOM   1469 CA   VAL    96       5.362  -0.486   7.819
ATOM   1470 HA   VAL    96       6.267  -0.901   8.262
ATOM   1471 CB   VAL    96       4.986  -1.329   6.586
ATOM   1472 HB   VAL    96       4.217  -0.804   6.019
ATOM   1473 CG1  VAL    96       6.203  -1.553   5.701
ATOM   1474 HG11 VAL    96       6.973  -2.078   6.267
ATOM   1475 HG12 VAL    96       5.918  -2.150   4.835
ATOM   1476 HG13 VAL    96       6.591  -0.591   5.366
ATOM   1477 CG2  VAL    96       4.375  -2.655   7.013
ATOM   1478 HG21 VAL    96       3.477  -2.469   7.602
ATOM   1479 HG22 VAL    96       4.115  -3.237   6.129
ATOM   1480 HG23 VAL    96       5.094  -3.210   7.615
ATOM   1481 C    VAL    96       5.765   0.912   7.362
ATOM   1482 O    VAL    96       6.921   1.153   7.010
ATOM   1483 N    LEU    97       4.805   1.830   7.369
ATOM   1484 H    LEU    97       3.864   1.576   7.635
ATOM   1485 CA   LEU    97       5.060   3.206   6.956
ATOM   1486 HA   LEU    97       5.346   3.231   5.905
ATOM   1487 CB   LEU    97       3.801   4.056   7.141
ATOM   1488 HB2  LEU    97       3.120   3.402   7.686
ATOM   1489 HB3  LEU    97       4.057   4.913   7.764
ATOM   1490 CG   LEU    97       3.124   4.542   5.859
ATOM   1491 HG   LEU    97       2.149   4.959   6.110
ATOM   1492 CD1  LEU    97       3.970   5.606   5.179
ATOM   1493 HD11 LEU    97       4.945   5.189   4.927
ATOM   1494 HD12 LEU    97       3.472   5.940   4.269
ATOM   1495 HD13 LEU    97       4.100   6.453   5.853
ATOM   1496 CD2  LEU    97       2.871   3.375   4.916
ATOM   1497 HD21 LEU    97       2.224   2.646   5.404
ATOM   1498 HD22 LEU    97       2.389   3.738   4.009
ATOM   1499 HD23 LEU    97       3.819   2.903   4.659
ATOM   1500 C    LEU    97       6.215   3.808   7.748
ATOM   1501 O    LEU    97       6.889   4.728   7.284
ATOM   1502 N    LYS    98       6.442   3.281   8.947
ATOM   1503 H    LYS    98       5.843   2.547   9.298
ATOM   1504 CA   LYS    98       7.519   3.763   9.804
ATOM   1505 HA   LYS    98       7.573   4.851   9.756
ATOM   1506 CB   LYS    98       7.266   3.349  11.256
ATOM   1507 HB2  LYS    98       6.828   2.351  11.239
ATOM   1508 HB3  LYS    98       8.233   3.312  11.757
ATOM   1509 CG   LYS    98       6.343   4.294  12.006
ATOM   1510 HG2  LYS    98       6.325   5.249  11.480
ATOM   1511 HG3  LYS    98       5.341   3.865  12.013
ATOM   1512 CD   LYS    98       6.810   4.512  13.435
ATOM   1513 HD2  LYS    98       7.893   4.396  13.466
ATOM   1514 HD3  LYS    98       6.545   5.526  13.734
ATOM   1515 CE   LYS    98       6.166   3.518  14.389
ATOM   1516 HE2  LYS    98       5.129   3.375  14.085
ATOM   1517 HE3  LYS    98       6.701   2.572  14.309
ATOM   1518 NZ   LYS    98       6.209   3.995  15.799
ATOM   1519 HZ1  LYS    98       5.713   4.872  15.873
ATOM   1520 HZ2  LYS    98       5.773   3.310  16.400
ATOM   1521 HZ3  LYS    98       7.170   4.127  16.081
ATOM   1522 C    LYS    98       8.867   3.224   9.338
ATOM   1523 O    LYS    98       9.563   2.535  10.084
ATOM   1524 N    HID    99       9.232   3.543   8.100
ATOM   1525 H    HID    99       8.612   4.084   7.514
ATOM   1526 CA   HID    99      10.499   3.093   7.536
ATOM   1527 HA   HID    99      10.525   3.304   6.467
ATOM   1528 CB   HID    99      11.666   3.819   8.205
ATOM   1529 HB2  HID    99      11.704   3.570   9.266
ATOM   1530 HB3  HID    99      12.607   3.538   7.732
ATOM   1531 CG   HID    99      11.572   5.311   8.118
ATOM   1532 ND1  HID    99      12.403   6.159   8.819
ATOM   1533 HD1  HID    99      13.137   5.857   9.443
ATOM   1534 CE1  HID    99      12.085   7.411   8.543
ATOM   1535 HE1  HID    99      12.630   8.236   9.002
ATOM   1536 NE2  HID    99      11.078   7.407   7.688
ATOM   1537 CD2  HID    99      10.740   6.106   7.406
ATOM   1538 HD2  HID    99       9.926   5.892   6.714
ATOM   1539 C    HID    99      10.661   1.585   7.700
ATOM   1540 O    HID    99      11.778   1.078   7.799
ATOM   1541 N    SER   100       9.539   0.873   7.728
ATOM   1542 H    SER   100       8.644   1.338   7.669
ATOM   1543 CA   SER   100       9.556  -0.576   7.885
ATOM   1544 HA   SER   100       8.541  -0.946   8.027
ATOM   1545 CB   SER   100      10.147  -1.238   6.639
ATOM   1546 HB2  SER   100       9.548  -0.952   5.774
ATOM   1547 HB3  SER   100      11.169  -0.882   6.506
ATOM   1548 OG   SER   100      10.151  -2.650   6.764
ATOM   1549 HG   SER   100      10.526  -3.040   5.971
ATOM   1550 C    SER   100      10.360  -0.980   9.118
ATOM   1551 O    SER   100      10.920  -2.073   9.177
ATOM   1552 N    GLY   101      10.410  -0.087  10.102
ATOM   1553 H    GLY   101       9.937   0.802  10.022
ATOM   1554 CA   GLY   101      11.147  -0.367  11.320
ATOM   1555 HA2  GLY   101      10.986  -1.411  11.588
ATOM   1556 HA3  GLY   101      12.207  -0.201  11.128
ATOM   1557 C    GLY   101      10.712   0.512  12.476
ATOM   1558 O    GLY   101       9.778   1.306  12.363
ATOM   1559 N    PRO   102      11.397   0.374  13.621
ATOM   1560 CD   PRO   102      12.523  -0.553  13.827
ATOM   1561 HD2  PRO   102      13.236  -0.445  13.009
ATOM   1562 HD3  PRO   102      12.150  -1.577  13.850
ATOM   1563 CG   PRO   102      13.092  -0.120  15.150
ATOM   1564 HG2  PRO   102      13.898   0.595  14.983
ATOM   1565 HG3  PRO   102      13.482  -0.989  15.680
ATOM   1566 CB   PRO   102      11.963   0.498  15.900
ATOM   1567 HB2  PRO   102      12.359   1.260  16.571
ATOM   1568 HB3  PRO   102      11.372  -0.217  16.472
ATOM   1569 CA   PRO   102      11.093   1.153  14.824
ATOM   1570 HA   PRO   102      10.025   1.063  15.024
ATOM   1571 C    PRO   102      11.458   2.626  14.669
ATOM   1572 O    PRO   102      11.398   3.146  13.556
ATOM   1573 OXT  PRO   102      11.908   3.261  15.621
TER   
ATOM   1574 H5T  RA5   103      15.889  -6.742   1.457
ATOM   1575 O5'  RA5   103      16.003  -6.838   0.509
ATOM   1576 C5'  RA5   103      15.728  -5.723  -0.337
ATOM   1577 H5'1 RA5   103      16.429  -4.941  -0.044
ATOM   1578 H5'2 RA5   103      14.708  -5.355  -0.230
ATOM   1579 C4'  RA5   103      15.973  -6.094  -1.782
ATOM   1580 H4'  RA5   103      15.016  -6.489  -2.125
ATOM   1581 O4'  RA5   103      16.259  -5.008  -2.683
ATOM   1582 C1'  RA5   103      17.244  -5.388  -3.617
ATOM   1583 H1'  RA5   103      16.808  -5.856  -4.500
ATOM   1584 N9   RA5   103      17.936  -4.208  -4.174
ATOM   1585 C8   RA5   103      19.158  -4.168  -4.746
ATOM   1586 H8   RA5   103      19.739  -5.067  -4.888
ATOM   1587 N7   RA5   103      19.497  -2.948  -5.148
ATOM   1588 C5   RA5   103      18.419  -2.177  -4.805
ATOM   1589 C6   RA5   103      18.166  -0.798  -4.965
ATOM   1590 N6   RA5   103      19.028   0.080  -5.540
ATOM   1591 H61  RA5   103      18.777   1.055  -5.620
ATOM   1592 H62  RA5   103      19.920  -0.242  -5.888
ATOM   1593 N1   RA5   103      16.974  -0.323  -4.511
ATOM   1594 C2   RA5   103      16.110  -1.191  -3.938
ATOM   1595 H2   RA5   103      15.157  -0.841  -3.569
ATOM   1596 N3   RA5   103      16.245  -2.514  -3.734
ATOM   1597 C4   RA5   103      17.454  -2.926  -4.209
ATOM   1598 C3'  RA5   103      17.134  -7.062  -1.996
ATOM   1599 H3'  RA5   103      17.631  -7.858  -1.442
ATOM   1600 C2'  RA5   103      18.152  -6.292  -2.789
ATOM   1601 H2'1 RA5   103      18.829  -5.871  -2.045
ATOM   1602 O2'  RA5   103      18.817  -7.307  -3.508
ATOM   1603 HO'2 RA5   103      19.576  -6.900  -3.931
ATOM   1604 O3'  RA5   103      16.671  -8.207  -2.710
ATOM   1605 P    RG    104      17.235  -9.659  -2.345
ATOM   1606 O1P  RG    104      16.628 -10.126  -1.079
ATOM   1607 O2P  RG    104      18.712  -9.657  -2.434
ATOM   1608 O5'  RG    104      16.669 -10.572  -3.531
ATOM   1609 C5'  RG    104      16.240  -9.971  -4.751
ATOM   1610 H5'1 RG    104      16.104 -10.948  -5.214
ATOM   1611 H5'2 RG    104      16.853  -9.345  -5.399
ATOM   1612 C4'  RG    104      14.890  -9.318  -4.562
ATOM   1613 H4'  RG    104      15.205  -9.231  -3.522
ATOM   1614 O4'  RG    104      14.198  -8.085  -4.834
ATOM   1615 C1'  RG    104      13.047  -8.156  -5.645
ATOM   1616 H1'  RG    104      12.209  -7.734  -5.091
ATOM   1617 N9   RG    104      13.168  -7.271  -6.823
ATOM   1618 C8   RG    104      14.181  -7.225  -7.713
ATOM   1619 H8   RG    104      15.038  -7.876  -7.622
ATOM   1620 N7   RG    104      13.988  -6.316  -8.663
ATOM   1621 C5   RG    104      12.779  -5.759  -8.344
ATOM   1622 C6   RG    104      12.026  -4.740  -8.966
ATOM   1623 O6   RG    104      12.355  -4.129  -9.981
ATOM   1624 N1   RG    104      10.837  -4.404  -8.395
ATOM   1625 H1   RG    104      10.225  -3.697  -8.750
ATOM   1626 C2   RG    104      10.449  -5.059  -7.278
ATOM   1627 N2   RG    104       9.271  -4.618  -6.844
ATOM   1628 H21  RG    104       8.708  -3.885  -7.252
ATOM   1629 H22  RG    104       8.909  -5.049  -6.005
ATOM   1630 N3   RG    104      11.081  -6.038  -6.606
ATOM   1631 C4   RG    104      12.260  -6.327  -7.224
ATOM   1632 C3'  RG    104      13.702 -10.240  -4.824
ATOM   1633 H3'  RG    104      13.483 -11.306  -4.772
ATOM   1634 C2'  RG    104      12.986  -9.638  -6.002
ATOM   1635 H2'1 RG    104      13.509 -10.023  -6.877
ATOM   1636 O2'  RG    104      11.707 -10.228  -5.922
ATOM   1637 HO'2 RG    104      11.239  -9.995  -6.727
ATOM   1638 O3'  RG    104      12.867 -10.278  -3.668
ATOM   1639 P    RG    105      12.225 -11.664  -3.192
ATOM   1640 O1P  RG    105      11.826 -11.565  -1.770
ATOM   1641 O2P  RG    105      13.114 -12.783  -3.575
ATOM   1642 O5'  RG    105      10.893 -11.765  -4.073
ATOM   1643 C5'  RG    105       9.728 -11.039  -3.690
ATOM   1644 H5'1 RG    105      10.091 -10.102  -4.113
ATOM   1645 H5'2 RG    105       9.427 -10.877  -2.655
ATOM   1646 C4'  RG    105       8.534 -11.515  -4.486
ATOM   1647 H4'  RG    105       7.999 -11.471  -3.537
ATOM   1648 O4'  RG    105       7.581 -11.049  -5.460
ATOM   1649 C1'  RG    105       7.639 -11.626  -6.745
ATOM   1650 H1'  RG    105       6.642 -11.979  -7.009
ATOM   1651 N9   RG    105       7.933 -10.608  -7.775
ATOM   1652 C8   RG    105       8.975 -10.587  -8.633
ATOM   1653 H8   RG    105       9.723 -11.366  -8.628
ATOM   1654 N7   RG    105       8.954  -9.530  -9.439
ATOM   1655 C5   RG    105       7.829  -8.849  -9.059
ATOM   1656 C6   RG    105       7.259  -7.648  -9.532
ATOM   1657 O6   RG    105       7.713  -6.953 -10.440
ATOM   1658 N1   RG    105       6.112  -7.222  -8.936
ATOM   1659 H1   RG    105       5.625  -6.387  -9.191
ATOM   1660 C2   RG    105       5.590  -7.966  -7.936
ATOM   1661 N2   RG    105       4.474  -7.420  -7.458
ATOM   1662 H21  RG    105       4.041  -6.559  -7.760
ATOM   1663 H22  RG    105       4.022  -7.909  -6.699
ATOM   1664 N3   RG    105       6.045  -9.118  -7.408
ATOM   1665 C4   RG    105       7.190  -9.489  -8.045
ATOM   1666 C3'  RG    105       8.700 -12.901  -5.104
ATOM   1667 H3'  RG    105       9.214 -13.833  -4.867
ATOM   1668 C2'  RG    105       8.741 -12.670  -6.589
ATOM   1669 H2'1 RG    105       9.780 -12.421  -6.807
ATOM   1670 O2'  RG    105       8.445 -13.946  -7.110
ATOM   1671 HO'2 RG    105       8.593 -13.903  -8.058
ATOM   1672 O3'  RG    105       7.595 -13.722  -4.732
ATOM   1673 P    RG    106       7.660 -14.590  -3.390
ATOM   1674 O1P  RG    106       8.864 -15.450  -3.409
ATOM   1675 O2P  RG    106       6.354 -15.248  -3.159
ATOM   1676 O5'  RG    106       7.862 -13.481  -2.254
ATOM   1677 C5'  RG    106       7.409 -13.730  -0.925
ATOM   1678 H5'1 RG    106       8.245 -13.997  -0.278
ATOM   1679 H5'2 RG    106       6.696 -14.554  -0.955
ATOM   1680 C4'  RG    106       6.725 -12.501  -0.371
ATOM   1681 H4'  RG    106       7.127 -12.212   0.600
ATOM   1682 O4'  RG    106       7.052 -11.400  -1.239
ATOM   1683 C1'  RG    106       5.941 -10.532  -1.251
ATOM   1684 H1'  RG    106       5.995  -9.892  -0.370
ATOM   1685 N9   RG    106       6.018  -9.581  -2.380
ATOM   1686 C8   RG    106       5.068  -9.325  -3.302
ATOM   1687 H8   RG    106       4.115  -9.833  -3.281
ATOM   1688 N7   RG    106       5.448  -8.413  -4.191
ATOM   1689 C5   RG    106       6.716  -8.079  -3.798
ATOM   1690 C6   RG    106       7.651  -7.167  -4.332
ATOM   1691 O6   RG    106       7.471  -6.460  -5.322
ATOM   1692 N1   RG    106       8.852  -7.060  -3.701
ATOM   1693 H1   RG    106       9.587  -6.448  -3.993
ATOM   1694 C2   RG    106       9.077  -7.825  -2.609
ATOM   1695 N2   RG    106      10.291  -7.606  -2.107
ATOM   1696 H21  RG    106      10.992  -6.973  -2.465
ATOM   1697 H22  RG    106      10.546  -8.145  -1.292
ATOM   1698 N3   RG    106       8.265  -8.720  -2.017
ATOM   1699 C4   RG    106       7.085  -8.780  -2.694
ATOM   1700 C3'  RG    106       5.200 -12.568  -0.385
ATOM   1701 H3'  RG    106       4.426 -13.333  -0.318
ATOM   1702 C2'  RG    106       4.766 -11.500  -1.351
ATOM   1703 H2'1 RG    106       4.556 -12.028  -2.281
ATOM   1704 O2'  RG    106       3.556 -11.045  -0.786
ATOM   1705 HO'2 RG    106       3.151 -10.456  -1.427
ATOM   1706 O3'  RG    106       4.702 -12.320   0.928
ATOM   1707 P    RA    107       3.819 -13.429   1.671
ATOM   1708 O1P  RA    107       3.779 -13.143   3.122
ATOM   1709 O2P  RA    107       4.259 -14.779   1.252
ATOM   1710 O5'  RA    107       2.355 -13.180   1.077
ATOM   1711 C5'  RA    107       1.310 -14.113   1.342
ATOM   1712 H5'1 RA    107       0.448 -13.702   1.867
ATOM   1713 H5'2 RA    107       1.789 -14.867   1.966
ATOM   1714 C4'  RA    107       0.847 -14.755   0.053
ATOM   1715 H4'  RA    107       0.115 -15.538   0.251
ATOM   1716 O4'  RA    107       0.165 -13.837  -0.822
ATOM   1717 C1'  RA    107       0.897 -13.330  -1.915
ATOM   1718 H1'  RA    107       0.458 -13.622  -2.869
ATOM   1719 N9   RA    107       0.836 -11.854  -1.959
ATOM   1720 C8   RA    107       1.154 -10.990  -0.972
ATOM   1721 H8   RA    107       1.546 -11.338  -0.028
ATOM   1722 N7   RA    107       0.990  -9.721  -1.329
ATOM   1723 C5   RA    107       0.541  -9.797  -2.619
ATOM   1724 C6   RA    107       0.186  -8.794  -3.547
ATOM   1725 N6   RA    107       0.233  -7.461  -3.293
ATOM   1726 H61  RA    107      -0.037  -6.801  -4.008
ATOM   1727 H62  RA    107       0.538  -7.130  -2.389
ATOM   1728 N1   RA    107      -0.232  -9.199  -4.777
ATOM   1729 C2   RA    107      -0.283 -10.525  -5.038
ATOM   1730 H2   RA    107      -0.612 -10.875  -6.006
ATOM   1731 N3   RA    107       0.030 -11.560  -4.236
ATOM   1732 C4   RA    107       0.439 -11.090  -3.025
ATOM   1733 C3'  RA    107       1.975 -15.134  -0.902
ATOM   1734 H3'  RA    107       2.846 -15.789  -0.899
ATOM   1735 C2'  RA    107       2.299 -13.873  -1.654
ATOM   1736 H2'1 RA    107       2.996 -13.333  -1.014
ATOM   1737 O2'  RA    107       2.982 -14.356  -2.789
ATOM   1738 HO'2 RA    107       3.342 -13.592  -3.246
ATOM   1739 O3'  RA    107       1.527 -16.166  -1.779
ATOM   1740 P    RU3   108       0.706 -17.410  -1.197
ATOM   1741 O1P  RU3   108       1.046 -17.608   0.230
ATOM   1742 O2P  RU3   108       0.853 -18.571  -2.102
ATOM   1743 O5'  RU3   108      -0.812 -16.909  -1.279
ATOM   1744 C5'  RU3   108      -1.672 -17.406  -2.301
ATOM   1745 H5'1 RU3   108      -2.696 -17.082  -2.113
ATOM   1746 H5'2 RU3   108      -1.631 -18.495  -2.302
ATOM   1747 C4'  RU3   108      -1.227 -16.891  -3.651
ATOM   1748 H4'  RU3   108      -0.629 -17.639  -4.171
ATOM   1749 O4'  RU3   108      -2.385 -16.709  -4.488
ATOM   1750 C1'  RU3   108      -2.725 -15.341  -4.462
ATOM   1751 H1'  RU3   108      -3.430 -15.098  -5.257
ATOM   1752 N1   RU3   108      -3.476 -15.001  -3.235
ATOM   1753 C6   RU3   108      -3.045 -14.062  -2.356
ATOM   1754 H6   RU3   108      -2.141 -13.522  -2.596
ATOM   1755 C5   RU3   108      -3.708 -13.741  -1.243
ATOM   1756 H5   RU3   108      -3.359 -12.986  -0.539
ATOM   1757 C4   RU3   108      -4.924 -14.425  -0.979
ATOM   1758 O4   RU3   108      -5.631 -14.225   0.008
ATOM   1759 N3   RU3   108      -5.335 -15.369  -1.885
ATOM   1760 H3   RU3   108      -6.263 -15.914  -1.713
ATOM   1761 C2   RU3   108      -4.634 -15.684  -3.028
ATOM   1762 O2   RU3   108      -5.063 -16.538  -3.789
ATOM   1763 C3'  RU3   108      -0.559 -15.519  -3.613
ATOM   1764 H3'  RU3   108      -0.058 -14.887  -2.880
ATOM   1765 C2'  RU3   108      -1.362 -14.660  -4.550
ATOM   1766 H2'1 RU3   108      -1.223 -13.641  -4.189
ATOM   1767 O2'  RU3   108      -0.684 -14.820  -5.776
ATOM   1768 HO'2 RU3   108      -1.062 -14.187  -6.391
ATOM   1769 O3'  RU3   108       0.804 -15.643  -4.048
ATOM   1770 H3T  RU3   108       1.303 -14.823  -4.056
TER   
END   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1 -16.321 -13.576   2.590
    2    HA   MET   1           HA       MET   1 -17.223 -15.517   1.512
    3    HB2  MET   1           HB2      MET   1 -14.303 -16.378   1.516
    4    HB3  MET   1           HB3      MET   1 -15.669 -17.470   1.219
    5    HG2  MET   1           HG2      MET   1 -14.987 -15.009  -0.430
    6    HG3  MET   1           HG3      MET   1 -14.674 -16.687  -0.883
    7    HE1  MET   1           HE1      MET   1 -15.829 -16.366  -3.189
    8    HE2  MET   1           HE2      MET   1 -17.457 -15.685  -3.412
    9    HE3  MET   1           HE3      MET   1 -16.142 -14.659  -2.790
   10    H    MET   2           H        MET   2 -17.404 -17.699   2.652
   11    HA   MET   2           HA       MET   2 -16.518 -17.637   5.465
   12    HB2  MET   2           HB2      MET   2 -18.812 -17.974   6.286
   13    HB3  MET   2           HB3      MET   2 -18.656 -16.416   5.455
   14    HG2  MET   2           HG2      MET   2 -19.639 -17.403   3.412
   15    HG3  MET   2           HG3      MET   2 -19.783 -18.965   4.230
   16    HE1  MET   2           HE1      MET   2 -22.301 -19.121   3.538
   17    HE2  MET   2           HE2      MET   2 -23.497 -17.835   3.830
   18    HE3  MET   2           HE3      MET   2 -22.150 -17.558   2.701
   19    H    LEU   3           H        LEU   3 -16.283 -19.237   2.806
   20    HA   LEU   3           HA       LEU   3 -16.539 -21.893   4.044
   21    HB2  LEU   3           HB2      LEU   3 -17.613 -22.748   1.914
   22    HB3  LEU   3           HB3      LEU   3 -18.630 -21.770   2.970
   23    HG   LEU   3           HG       LEU   3 -18.340 -19.808   1.519
   24   HD11  LEU   3          HD11      LEU   3 -17.362 -20.107  -0.755
   25   HD12  LEU   3          HD12      LEU   3 -16.140 -20.219   0.519
   26   HD13  LEU   3          HD13      LEU   3 -16.746 -21.701  -0.263
   27   HD21  LEU   3          HD21      LEU   3 -19.183 -22.334   0.045
   28   HD22  LEU   3          HD22      LEU   3 -20.196 -21.388   1.161
   29   HD23  LEU   3          HD23      LEU   3 -19.659 -20.671  -0.372
   30    H    GLY   4           H        GLY   4 -14.428 -19.868   3.099
   31    HA2  GLY   4           HA2      GLY   4 -12.620 -21.819   1.909
   32    HA3  GLY   4           HA3      GLY   4 -13.063 -20.486   0.828
   33    HA   PRO   5           HA       PRO   5  -9.503 -19.329   3.681
   34    HB2  PRO   5           HB2      PRO   5  -7.607 -18.791   1.786
   35    HB3  PRO   5           HB3      PRO   5  -7.948 -20.450   2.380
   36    HG2  PRO   5           HG2      PRO   5  -9.025 -19.112  -0.119
   37    HG3  PRO   5           HG3      PRO   5  -8.268 -20.735   0.026
   38    HD2  PRO   5           HD2      PRO   5 -10.974 -20.407   0.027
   39    HD3  PRO   5           HD3      PRO   5 -10.191 -21.630   1.078
   40    H    GLU   6           H        GLU   6  -8.343 -17.244   3.807
   41    HA   GLU   6           HA       GLU   6  -9.449 -14.995   2.246
   42    HB2  GLU   6           HB2      GLU   6  -9.905 -15.515   5.197
   43    HB3  GLU   6           HB3      GLU   6  -9.797 -13.859   4.595
   44    HG2  GLU   6           HG2      GLU   6 -11.769 -15.933   3.563
   45    HG3  GLU   6           HG3      GLU   6 -12.130 -14.674   4.750
   46    H    GLY   7           H        GLY   7  -8.434 -12.899   3.200
   47    HA2  GLY   7           HA2      GLY   7  -5.793 -13.216   4.410
   48    HA3  GLY   7           HA3      GLY   7  -5.777 -12.715   2.704
   49    H    GLY   8           H        GLY   8  -8.581 -11.674   4.411
   50    HA2  GLY   8           HA2      GLY   8  -7.612  -9.269   5.611
   51    HA3  GLY   8           HA3      GLY   8  -8.190  -8.941   3.971
   52    H    GLU   9           H        GLU   9  -9.606  -7.626   5.685
   53    HA   GLU   9           HA       GLU   9 -12.159  -9.084   5.976
   54    HB2  GLU   9           HB2      GLU   9 -10.724  -7.680   8.271
   55    HB3  GLU   9           HB3      GLU   9 -12.395  -8.262   8.310
   56    HG2  GLU   9           HG2      GLU   9 -11.584 -10.577   7.875
   57    HG3  GLU   9           HG3      GLU   9  -9.912  -9.983   7.950
   58    H    GLY  10           H        GLY  10 -10.806  -6.667   4.471
   59    HA2  GLY  10           HA2      GLY  10 -13.136  -4.896   4.762
   60    HA3  GLY  10           HA3      GLY  10 -11.562  -4.193   5.141
   61    H    PHE  11           H        PHE  11 -13.024  -3.102   3.148
   62    HA   PHE  11           HA       PHE  11 -12.167  -4.186   0.560
   63    HB2  PHE  11           HB2      PHE  11 -13.676  -1.628   1.131
   64    HB3  PHE  11           HB3      PHE  11 -13.574  -2.490  -0.398
   65    HD1  PHE  11           HD1      PHE  11 -13.951  -5.321   0.988
   66    HD2  PHE  11           HD2      PHE  11 -16.093  -1.594   1.151
   67    HE1  PHE  11           HE1      PHE  11 -16.029  -6.540   1.563
   68    HE2  PHE  11           HE2      PHE  11 -18.173  -2.817   1.727
   69    HZ   PHE  11           HZ       PHE  11 -18.141  -5.291   1.939
   70    H    VAL  12           H        VAL  12  -9.974  -3.681   1.992
   71    HA   VAL  12           HA       VAL  12  -8.835  -1.200   0.782
   72    HB   VAL  12           HB       VAL  12  -8.452  -2.265   3.616
   73   HG11  VAL  12          HG11      VAL  12  -7.021  -0.273   3.949
   74   HG12  VAL  12          HG12      VAL  12  -6.329  -1.394   2.767
   75   HG13  VAL  12          HG13      VAL  12  -7.136   0.094   2.210
   76   HG21  VAL  12          HG21      VAL  12  -9.702   0.296   2.540
   77   HG22  VAL  12          HG22      VAL  12 -10.527  -1.011   3.424
   78   HG23  VAL  12          HG23      VAL  12  -9.322   0.005   4.246
   79    H    VAL  13           H        VAL  13  -6.626  -1.400   0.197
   80    HA   VAL  13           HA       VAL  13  -5.422  -4.100   0.549
   81    HB   VAL  13           HB       VAL  13  -4.657  -4.086  -1.794
   82   HG11  VAL  13          HG11      VAL  13  -6.769  -4.796  -2.784
   83   HG12  VAL  13          HG12      VAL  13  -6.674  -5.346  -1.097
   84   HG13  VAL  13          HG13      VAL  13  -7.684  -3.943  -1.521
   85   HG21  VAL  13          HG21      VAL  13  -6.595  -1.766  -2.149
   86   HG22  VAL  13          HG22      VAL  13  -4.822  -1.681  -2.284
   87   HG23  VAL  13          HG23      VAL  13  -5.757  -2.639  -3.450
   88    H    LYS  14           H        LYS  14  -3.171  -4.201   0.247
   89    HA   LYS  14           HA       LYS  14  -1.755  -1.738   1.031
   90    HB2  LYS  14           HB2      LYS  14  -0.517  -4.454   0.522
   91    HB3  LYS  14           HB3      LYS  14   0.038  -3.168   1.606
   92    HG2  LYS  14           HG2      LYS  14  -2.059  -3.590   2.997
   93    HG3  LYS  14           HG3      LYS  14  -2.369  -5.001   1.962
   94    HD2  LYS  14           HD2      LYS  14  -0.031  -5.819   2.544
   95    HD3  LYS  14           HD3      LYS  14   0.034  -4.521   3.761
   96    HE2  LYS  14           HE2      LYS  14  -2.119  -5.464   4.727
   97    HE3  LYS  14           HE3      LYS  14  -1.961  -6.810   3.581
   98    HZ1  LYS  14           HZ1      LYS  14   0.190  -7.283   4.593
   99    HZ2  LYS  14           HZ2      LYS  14  -0.047  -6.071   5.689
  100    HZ3  LYS  14           HZ3      LYS  14  -1.033  -7.386   5.693
  101    H    LEU  15           H        LEU  15   0.274  -1.150  -0.117
  102    HA   LEU  15           HA       LEU  15   0.425  -2.036  -2.936
  103    HB2  LEU  15           HB2      LEU  15  -0.926   0.208  -2.252
  104    HB3  LEU  15           HB3      LEU  15   0.698   0.874  -2.238
  105    HG   LEU  15           HG       LEU  15  -0.351   1.311  -4.313
  106   HD11  LEU  15          HD11      LEU  15   1.203   0.420  -5.929
  107   HD12  LEU  15          HD12      LEU  15   2.079   0.699  -4.409
  108   HD13  LEU  15          HD13      LEU  15   1.587  -0.952  -4.876
  109   HD21  LEU  15          HD21      LEU  15  -0.750  -1.684  -4.658
  110   HD22  LEU  15          HD22      LEU  15  -2.024  -0.496  -4.305
  111   HD23  LEU  15          HD23      LEU  15  -1.153  -0.430  -5.853
  112    H    ARG  16           H        ARG  16   2.541  -1.913  -3.760
  113    HA   ARG  16           HA       ARG  16   4.726  -0.672  -2.215
  114    HB2  ARG  16           HB2      ARG  16   4.538  -2.873  -1.138
  115    HB3  ARG  16           HB3      ARG  16   4.479  -3.671  -2.714
  116    HG2  ARG  16           HG2      ARG  16   6.787  -2.762  -3.190
  117    HG3  ARG  16           HG3      ARG  16   6.853  -2.182  -1.515
  118    HD2  ARG  16           HD2      ARG  16   6.380  -5.068  -2.368
  119    HD3  ARG  16           HD3      ARG  16   7.959  -4.390  -1.938
  120    HE   ARG  16           HE       ARG  16   6.193  -3.884   0.218
  121   HH11  ARG  16          HH11      ARG  16   7.640  -6.629  -1.459
  122   HH12  ARG  16          HH12      ARG  16   7.757  -7.612  -0.021
  123   HH21  ARG  16          HH21      ARG  16   6.351  -5.154   2.076
  124   HH22  ARG  16          HH22      ARG  16   7.014  -6.777   1.999
  125    H    GLY  17           H        GLY  17   6.499  -0.216  -3.619
  126    HA2  GLY  17           HA2      GLY  17   7.693  -1.162  -5.628
  127    HA3  GLY  17           HA3      GLY  17   6.128  -1.115  -6.453
  128    H    LEU  18           H        LEU  18   7.300   0.137  -8.031
  129    HA   LEU  18           HA       LEU  18   7.704   2.051  -9.145
  130    HB2  LEU  18           HB2      LEU  18   6.371   3.483  -6.810
  131    HB3  LEU  18           HB3      LEU  18   6.600   4.103  -8.444
  132    HG   LEU  18           HG       LEU  18   4.837   1.768  -7.634
  133   HD11  LEU  18          HD11      LEU  18   3.056   3.215  -8.512
  134   HD12  LEU  18          HD12      LEU  18   3.941   4.041  -7.213
  135   HD13  LEU  18          HD13      LEU  18   4.249   4.472  -8.915
  136   HD21  LEU  18          HD21      LEU  18   4.228   1.789 -10.086
  137   HD22  LEU  18          HD22      LEU  18   5.626   2.841 -10.377
  138   HD23  LEU  18          HD23      LEU  18   5.864   1.186  -9.747
  139    HA   PRO  19           HA       PRO  19  11.502   3.986  -7.816
  140    HB2  PRO  19           HB2      PRO  19  10.149   6.672  -7.985
  141    HB3  PRO  19           HB3      PRO  19  11.762   6.180  -8.610
  142    HG2  PRO  19           HG2      PRO  19   9.681   6.347 -10.315
  143    HG3  PRO  19           HG3      PRO  19  10.752   4.901 -10.378
  144    HD2  PRO  19           HD2      PRO  19   8.079   5.204  -9.003
  145    HD3  PRO  19           HD3      PRO  19   8.636   3.873 -10.071
  146    H    TRP  20           H        TRP  20  12.409   5.743  -6.140
  147    HA   TRP  20           HA       TRP  20  11.620   4.922  -3.585
  148    HB2  TRP  20           HB2      TRP  20  12.920   7.531  -4.426
  149    HB3  TRP  20           HB3      TRP  20  12.834   6.940  -2.777
  150    HD1  TRP  20           HD1      TRP  20  15.408   7.635  -4.656
  151    HE1  TRP  20           HE1      TRP  20  17.358   6.002  -4.684
  152    HE3  TRP  20           HE3      TRP  20  12.945   3.376  -3.165
  153    HZ2  TRP  20           HZ2      TRP  20  17.846   3.243  -3.904
  154    HZ3  TRP  20           HZ3      TRP  20  14.242   1.298  -2.759
  155    HH2  TRP  20           HH2      TRP  20  16.667   1.265  -3.060
  156    H    SER  21           H        SER  21  10.040   7.224  -5.657
  157    HA   SER  21           HA       SER  21   8.051   7.771  -3.545
  158    HB2  SER  21           HB2      SER  21   9.470   9.946  -5.140
  159    HB3  SER  21           HB3      SER  21   8.062  10.193  -4.087
  160    HG   SER  21           HG       SER  21  10.043  10.654  -3.032
  161    H    CYS  22           H        CYS  22   6.048   8.664  -4.448
  162    HA   CYS  22           HA       CYS  22   5.644   8.622  -7.340
  163    HB2  CYS  22           HB2      CYS  22   3.868   6.879  -7.119
  164    HB3  CYS  22           HB3      CYS  22   5.500   6.242  -6.830
  165    HG   CYS  22           HG       CYS  22   5.410   6.433  -4.236
  166    H    SER  23           H        SER  23   2.958   8.674  -7.500
  167    HA   SER  23           HA       SER  23   1.984  10.589  -5.444
  168    HB2  SER  23           HB2      SER  23   1.858  10.994  -8.455
  169    HB3  SER  23           HB3      SER  23   1.094  12.032  -7.234
  170    HG   SER  23           HG       SER  23   3.139  12.821  -7.924
  171    H    VAL  24           H        VAL  24  -0.408  10.970  -5.669
  172    HA   VAL  24           HA       VAL  24  -1.650   8.427  -5.513
  173    HB   VAL  24           HB       VAL  24  -3.322   9.497  -4.497
  174   HG11  VAL  24          HG11      VAL  24  -1.579  11.968  -4.810
  175   HG12  VAL  24          HG12      VAL  24  -2.799  11.670  -3.555
  176   HG13  VAL  24          HG13      VAL  24  -1.325  10.679  -3.602
  177   HG21  VAL  24          HG21      VAL  24  -3.326  11.636  -6.636
  178   HG22  VAL  24          HG22      VAL  24  -4.462  10.267  -6.445
  179   HG23  VAL  24          HG23      VAL  24  -4.428  11.554  -5.235
  180    H    GLU  25           H        GLU  25  -1.089  10.472  -8.244
  181    HA   GLU  25           HA       GLU  25  -3.411   9.554  -9.760
  182    HB2  GLU  25           HB2      GLU  25  -0.882  11.027 -10.608
  183    HB3  GLU  25           HB3      GLU  25  -2.335  10.770 -11.595
  184    HG2  GLU  25           HG2      GLU  25  -3.677  11.999  -9.865
  185    HG3  GLU  25           HG3      GLU  25  -2.180  12.334  -8.983
  186    H    ASP  26           H        ASP  26  -0.073   8.496  -9.232
  187    HA   ASP  26           HA       ASP  26  -0.028   6.814 -11.624
  188    HB2  ASP  26           HB2      ASP  26   1.729   6.841  -9.132
  189    HB3  ASP  26           HB3      ASP  26   2.072   5.971 -10.635
  190    H    VAL  27           H        VAL  27  -0.673   6.411  -8.111
  191    HA   VAL  27           HA       VAL  27  -0.843   3.549  -8.297
  192    HB   VAL  27           HB       VAL  27  -0.348   4.763  -6.223
  193   HG11  VAL  27          HG11      VAL  27  -1.891   6.659  -6.540
  194   HG12  VAL  27          HG12      VAL  27  -3.274   5.583  -6.229
  195   HG13  VAL  27          HG13      VAL  27  -2.077   5.889  -4.951
  196   HG21  VAL  27          HG21      VAL  27  -1.271   2.461  -6.149
  197   HG22  VAL  27          HG22      VAL  27  -1.731   3.428  -4.729
  198   HG23  VAL  27          HG23      VAL  27  -2.912   3.136  -6.026
  199    H    GLN  28           H        GLN  28  -3.331   6.176  -8.561
  200    HA   GLN  28           HA       GLN  28  -5.475   4.254  -8.706
  201    HB2  GLN  28           HB2      GLN  28  -6.855   6.124  -9.407
  202    HB3  GLN  28           HB3      GLN  28  -5.838   6.585  -8.029
  203    HG2  GLN  28           HG2      GLN  28  -4.251   7.657  -9.625
  204    HG3  GLN  28           HG3      GLN  28  -5.353   7.286 -10.958
  205   HE21  GLN  28          HE21      GLN  28  -5.070   9.049  -7.856
  206   HE22  GLN  28          HE22      GLN  28  -6.296  10.249  -8.218
  207    H    ASN  29           H        ASN  29  -3.195   5.576 -11.069
  208    HA   ASN  29           HA       ASN  29  -4.657   4.704 -13.395
  209    HB2  ASN  29           HB2      ASN  29  -3.044   6.029 -14.235
  210    HB3  ASN  29           HB3      ASN  29  -2.112   5.948 -12.736
  211   HD21  ASN  29          HD21      ASN  29  -0.627   4.189 -12.393
  212   HD22  ASN  29          HD22      ASN  29   0.101   3.379 -13.759
  213    H    PHE  30           H        PHE  30  -2.648   3.042 -11.010
  214    HA   PHE  30           HA       PHE  30  -2.111   0.786 -12.799
  215    HB2  PHE  30           HB2      PHE  30  -0.444   1.488 -11.205
  216    HB3  PHE  30           HB3      PHE  30  -1.566   1.318  -9.863
  217    HD1  PHE  30           HD1      PHE  30   0.393  -0.553 -12.410
  218    HD2  PHE  30           HD2      PHE  30  -1.994  -0.808  -8.844
  219    HE1  PHE  30           HE1      PHE  30   1.070  -2.922 -12.120
  220    HE2  PHE  30           HE2      PHE  30  -1.375  -3.180  -8.589
  221    HZ   PHE  30           HZ       PHE  30   0.178  -4.244 -10.220
  222    H    LEU  31           H        LEU  31  -4.471   1.613 -10.285
  223    HA   LEU  31           HA       LEU  31  -5.651  -1.111 -10.537
  224    HB2  LEU  31           HB2      LEU  31  -6.303   1.130  -8.564
  225    HB3  LEU  31           HB3      LEU  31  -7.096  -0.430  -8.661
  226    HG   LEU  31           HG       LEU  31  -5.669  -0.725  -6.894
  227   HD11  LEU  31          HD11      LEU  31  -4.049  -1.750  -9.249
  228   HD12  LEU  31          HD12      LEU  31  -3.971  -2.321  -7.569
  229   HD13  LEU  31          HD13      LEU  31  -5.456  -2.554  -8.513
  230   HD21  LEU  31          HD21      LEU  31  -3.336  -0.037  -6.809
  231   HD22  LEU  31          HD22      LEU  31  -3.455   0.612  -8.462
  232   HD23  LEU  31          HD23      LEU  31  -4.409   1.339  -7.153
  233    H    SER  32           H        SER  32  -5.779   0.059 -12.829
  234    HA   SER  32           HA       SER  32  -7.695   2.052 -13.345
  235    HB2  SER  32           HB2      SER  32  -7.380   1.345 -15.692
  236    HB3  SER  32           HB3      SER  32  -5.841   1.487 -14.817
  237    HG   SER  32           HG       SER  32  -5.992  -0.450 -16.046
  238    H    ASP  33           H        ASP  33  -8.590  -0.766 -12.013
  239    HA   ASP  33           HA       ASP  33 -11.134  -0.861 -13.576
  240    HB2  ASP  33           HB2      ASP  33  -9.886  -3.186 -12.075
  241    HB3  ASP  33           HB3      ASP  33 -11.286  -3.225 -13.150
  242    H    CYS  34           H        CYS  34  -9.885   0.357 -10.848
  243    HA   CYS  34           HA       CYS  34 -12.065  -0.601  -9.049
  244    HB2  CYS  34           HB2      CYS  34  -9.145  -0.003  -8.436
  245    HB3  CYS  34           HB3      CYS  34 -10.374  -0.441  -7.242
  246    HG   CYS  34           HG       CYS  34  -8.889  -2.515  -7.642
  247    H    THR  35           H        THR  35 -11.913   0.932  -6.991
  248    HA   THR  35           HA       THR  35 -11.762   3.789  -7.830
  249    HB   THR  35           HB       THR  35 -13.962   2.329  -6.299
  250    HG1  THR  35           HG1      THR  35 -14.131   2.280  -8.552
  251   HG21  THR  35          HG21      THR  35 -15.040   4.579  -6.146
  252   HG22  THR  35          HG22      THR  35 -13.563   4.445  -5.178
  253   HG23  THR  35          HG23      THR  35 -13.527   5.312  -6.733
  254    H    ILE  36           H        ILE  36 -11.000   5.156  -6.186
  255    HA   ILE  36           HA       ILE  36  -9.568   3.687  -4.057
  256    HB   ILE  36           HB       ILE  36  -8.995   6.418  -5.276
  257   HG12  ILE  36          HG12      ILE  36  -6.860   4.983  -5.920
  258   HG13  ILE  36          HG13      ILE  36  -7.965   3.614  -5.767
  259   HG21  ILE  36          HG21      ILE  36  -6.761   6.038  -4.112
  260   HG22  ILE  36          HG22      ILE  36  -8.099   6.435  -3.044
  261   HG23  ILE  36          HG23      ILE  36  -7.563   4.744  -3.181
  262   HD11  ILE  36          HD11      ILE  36  -7.781   4.467  -8.091
  263   HD12  ILE  36          HD12      ILE  36  -9.439   4.645  -7.493
  264   HD13  ILE  36          HD13      ILE  36  -8.358   6.058  -7.553
  265    H    HIS  37           H        HIS  37 -12.200   3.961  -3.623
  266    HA   HIS  37           HA       HIS  37 -13.739   4.525  -2.089
  267    HB2  HIS  37           HB2      HIS  37 -11.800   3.991  -0.635
  268    HB3  HIS  37           HB3      HIS  37 -11.468   5.718  -0.519
  269    HD1  HIS  37           HD1      HIS  37 -13.818   3.043   0.802
  270    HD2  HIS  37           HD2      HIS  37 -13.339   7.211   0.830
  271    HE1  HIS  37           HE1      HIS  37 -15.357   3.935   2.640
  272    H    ASP  38           H        ASP  38 -11.548   7.327  -2.610
  273    HA   ASP  38           HA       ASP  38 -13.875   8.907  -3.473
  274    HB2  ASP  38           HB2      ASP  38 -11.976   9.739  -1.235
  275    HB3  ASP  38           HB3      ASP  38 -12.950  10.881  -2.168
  276    H    GLY  39           H        GLY  39 -10.746   7.773  -4.001
  277    HA2  GLY  39           HA2      GLY  39  -9.508   8.346  -5.960
  278    HA3  GLY  39           HA3      GLY  39 -10.210   9.966  -5.925
  279    H    ALA  40           H        ALA  40  -8.647  11.388  -5.574
  280    HA   ALA  40           HA       ALA  40  -6.231  10.947  -4.150
  281    HB1  ALA  40           HB1      ALA  40  -6.002  13.400  -4.343
  282    HB2  ALA  40           HB2      ALA  40  -6.580  12.691  -5.870
  283    HB3  ALA  40           HB3      ALA  40  -7.722  13.525  -4.787
  284    H    ALA  41           H        ALA  41  -9.183  10.778  -2.813
  285    HA   ALA  41           HA       ALA  41  -8.354  12.021  -0.243
  286    HB1  ALA  41           HB1      ALA  41 -11.127  11.711  -1.431
  287    HB2  ALA  41           HB2      ALA  41 -10.776  12.322   0.204
  288    HB3  ALA  41           HB3      ALA  41 -10.226  13.224  -1.226
  289    H    GLY  42           H        GLY  42  -8.098   9.210  -1.575
  290    HA2  GLY  42           HA2      GLY  42  -8.775   7.773   0.931
  291    HA3  GLY  42           HA3      GLY  42  -9.300   7.101  -0.629
  292    H    VAL  43           H        VAL  43  -6.427   8.726  -1.213
  293    HA   VAL  43           HA       VAL  43  -4.861   6.295  -1.391
  294    HB   VAL  43           HB       VAL  43  -4.725   8.451  -2.873
  295   HG11  VAL  43          HG11      VAL  43  -4.533  10.035  -0.963
  296   HG12  VAL  43          HG12      VAL  43  -2.948   9.331  -0.559
  297   HG13  VAL  43          HG13      VAL  43  -3.181  10.160  -2.104
  298   HG21  VAL  43          HG21      VAL  43  -2.348   8.075  -3.288
  299   HG22  VAL  43          HG22      VAL  43  -2.166   7.256  -1.729
  300   HG23  VAL  43          HG23      VAL  43  -3.171   6.529  -3.005
  301    H    HIS  44           H        HIS  44  -2.795   5.952  -0.278
  302    HA   HIS  44           HA       HIS  44  -2.218   7.547   2.127
  303    HB2  HIS  44           HB2      HIS  44  -2.967   4.612   2.152
  304    HB3  HIS  44           HB3      HIS  44  -1.948   5.339   3.395
  305    HD1  HIS  44           HD1      HIS  44  -3.243   7.590   4.664
  306    HD2  HIS  44           HD2      HIS  44  -5.485   4.658   2.671
  307    HE1  HIS  44           HE1      HIS  44  -5.627   7.777   5.553
  308    H    PHE  45           H        PHE  45  -0.067   7.026   2.981
  309    HA   PHE  45           HA       PHE  45   1.690   5.343   1.322
  310    HB2  PHE  45           HB2      PHE  45   2.059   8.336   1.712
  311    HB3  PHE  45           HB3      PHE  45   3.283   7.245   1.064
  312    HD1  PHE  45           HD1      PHE  45   2.777   5.970  -1.092
  313    HD2  PHE  45           HD2      PHE  45   0.416   9.285   0.296
  314    HE1  PHE  45           HE1      PHE  45   1.812   6.236  -3.363
  315    HE2  PHE  45           HE2      PHE  45  -0.530   9.561  -1.976
  316    HZ   PHE  45           HZ       PHE  45   0.156   8.023  -3.809
  317    H    ILE  46           H        ILE  46   3.978   5.377   2.328
  318    HA   ILE  46           HA       ILE  46   3.855   5.880   5.261
  319    HB   ILE  46           HB       ILE  46   5.077   3.381   4.099
  320   HG12  ILE  46          HG12      ILE  46   2.247   3.732   5.194
  321   HG13  ILE  46          HG13      ILE  46   2.678   3.398   3.503
  322   HG21  ILE  46          HG21      ILE  46   5.757   4.186   6.381
  323   HG22  ILE  46          HG22      ILE  46   4.051   4.119   6.885
  324   HG23  ILE  46          HG23      ILE  46   4.910   2.630   6.444
  325   HD11  ILE  46          HD11      ILE  46   3.844   1.313   4.294
  326   HD12  ILE  46          HD12      ILE  46   3.080   1.586   5.880
  327   HD13  ILE  46          HD13      ILE  46   2.072   1.323   4.431
  328    H    TYR  47           H        TYR  47   5.827   6.636   6.103
  329    HA   TYR  47           HA       TYR  47   8.246   6.731   4.443
  330    HB2  TYR  47           HB2      TYR  47   8.259   9.197   4.354
  331    HB3  TYR  47           HB3      TYR  47   6.930   8.496   3.431
  332    HD1  TYR  47           HD1      TYR  47   7.828  10.408   6.460
  333    HD2  TYR  47           HD2      TYR  47   4.624   8.804   4.083
  334    HE1  TYR  47           HE1      TYR  47   6.207  11.796   7.723
  335    HE2  TYR  47           HE2      TYR  47   2.992  10.195   5.331
  336    HH   TYR  47           HH       TYR  47   2.690  11.737   7.004
  337    H    THR  48           H        THR  48   9.806   8.436   5.595
  338    HA   THR  48           HA       THR  48   9.430   8.357   8.540
  339    HB   THR  48           HB       THR  48  11.809   7.679   8.803
  340    HG1  THR  48           HG1      THR  48  12.818   6.762   6.969
  341   HG21  THR  48          HG21      THR  48  10.175   5.669   7.209
  342   HG22  THR  48          HG22      THR  48  11.471   5.314   8.377
  343   HG23  THR  48          HG23      THR  48   9.944   6.040   8.934
  344    H    ARG  49           H        ARG  49  11.046   9.709   9.664
  345    HA   ARG  49           HA       ARG  49  10.986  12.344   8.613
  346    HB2  ARG  49           HB2      ARG  49  12.083  12.939  10.678
  347    HB3  ARG  49           HB3      ARG  49  10.891  11.666  10.980
  348    HG2  ARG  49           HG2      ARG  49  12.665  10.944  12.256
  349    HG3  ARG  49           HG3      ARG  49  12.914  10.018  10.767
  350    HD2  ARG  49           HD2      ARG  49  14.609  11.699  10.044
  351    HD3  ARG  49           HD3      ARG  49  14.293  12.638  11.515
  352    HE   ARG  49           HE       ARG  49  14.978   9.979  12.257
  353   HH11  ARG  49          HH11      ARG  49  16.452  12.861  10.833
  354   HH12  ARG  49          HH12      ARG  49  18.051  12.481  11.426
  355   HH21  ARG  49          HH21      ARG  49  17.077   9.512  13.025
  356   HH22  ARG  49          HH22      ARG  49  18.402  10.594  12.664
  357    H    GLU  50           H        GLU  50  13.310   9.780   8.230
  358    HA   GLU  50           HA       GLU  50  15.651  11.215   7.671
  359    HB2  GLU  50           HB2      GLU  50  15.512   8.789   7.910
  360    HB3  GLU  50           HB3      GLU  50  14.604   8.660   6.387
  361    HG2  GLU  50           HG2      GLU  50  16.479   9.393   5.096
  362    HG3  GLU  50           HG3      GLU  50  17.320   9.993   6.537
  363    H    GLY  51           H        GLY  51  12.791  10.736   5.556
  364    HA2  GLY  51           HA2      GLY  51  12.370  12.743   4.170
  365    HA3  GLY  51           HA3      GLY  51  14.072  12.718   3.706
  366    H    ARG  52           H        ARG  52  11.985   9.773   3.841
  367    HA   ARG  52           HA       ARG  52  11.640   9.732   0.940
  368    HB2  ARG  52           HB2      ARG  52  12.890   7.599   0.699
  369    HB3  ARG  52           HB3      ARG  52  13.958   8.947   1.119
  370    HG2  ARG  52           HG2      ARG  52  13.905   8.240   3.504
  371    HG3  ARG  52           HG3      ARG  52  12.857   6.871   3.070
  372    HD2  ARG  52           HD2      ARG  52  14.610   6.000   1.571
  373    HD3  ARG  52           HD3      ARG  52  15.641   7.387   1.959
  374    HE   ARG  52           HE       ARG  52  16.127   6.476   4.053
  375   HH11  ARG  52          HH11      ARG  52  13.615   4.546   2.473
  376   HH12  ARG  52          HH12      ARG  52  13.734   3.245   3.636
  377   HH21  ARG  52          HH21      ARG  52  16.253   4.806   5.527
  378   HH22  ARG  52          HH22      ARG  52  15.249   3.379   5.363
  379    H    GLN  53           H        GLN  53  10.393   7.778   0.285
  380    HA   GLN  53           HA       GLN  53   8.392   7.089   2.266
  381    HB2  GLN  53           HB2      GLN  53   8.939   5.830  -0.454
  382    HB3  GLN  53           HB3      GLN  53   7.447   5.715   0.493
  383    HG2  GLN  53           HG2      GLN  53   8.611   8.216  -0.799
  384    HG3  GLN  53           HG3      GLN  53   7.132   7.357  -1.260
  385   HE21  GLN  53          HE21      GLN  53   5.556   7.052   0.761
  386   HE22  GLN  53          HE22      GLN  53   5.295   8.514   1.690
  387    H    SER  54           H        SER  54   7.983   4.940   3.117
  388    HA   SER  54           HA       SER  54  10.379   3.510   3.860
  389    HB2  SER  54           HB2      SER  54   7.441   2.738   4.097
  390    HB3  SER  54           HB3      SER  54   8.793   1.963   4.952
  391    HG   SER  54           HG       SER  54   9.202   3.930   5.983
  392    H    GLY  55           H        GLY  55   8.205   3.368   1.158
  393    HA2  GLY  55           HA2      GLY  55   9.043   2.195  -0.816
  394    HA3  GLY  55           HA3      GLY  55   9.456   0.821   0.237
  395    H    GLU  56           H        GLU  56   6.600   2.187   1.387
  396    HA   GLU  56           HA       GLU  56   4.874   0.398  -0.228
  397    HB2  GLU  56           HB2      GLU  56   5.161   0.281   2.798
  398    HB3  GLU  56           HB3      GLU  56   4.011  -0.651   1.817
  399    HG2  GLU  56           HG2      GLU  56   5.939  -1.675   0.600
  400    HG3  GLU  56           HG3      GLU  56   7.049  -0.817   1.672
  401    H    ALA  57           H        ALA  57   2.579   0.553   0.548
  402    HA   ALA  57           HA       ALA  57   1.667   3.080   1.672
  403    HB1  ALA  57           HB1      ALA  57   1.585   2.517  -1.326
  404    HB2  ALA  57           HB2      ALA  57   0.623   3.776  -0.529
  405    HB3  ALA  57           HB3      ALA  57   2.398   3.867  -0.515
  406    H    PHE  58           H        PHE  58  -0.842   3.233   0.968
  407    HA   PHE  58           HA       PHE  58  -2.019   0.518   0.658
  408    HB2  PHE  58           HB2      PHE  58  -2.939   2.565   2.702
  409    HB3  PHE  58           HB3      PHE  58  -3.709   1.027   2.361
  410    HD1  PHE  58           HD1      PHE  58  -2.698  -1.104   3.150
  411    HD2  PHE  58           HD2      PHE  58  -0.931   2.717   4.007
  412    HE1  PHE  58           HE1      PHE  58  -1.377  -2.124   4.995
  413    HE2  PHE  58           HE2      PHE  58   0.352   1.720   5.857
  414    HZ   PHE  58           HZ       PHE  58   0.138  -0.718   6.362
  415    H    VAL  59           H        VAL  59  -4.368   0.670   0.124
  416    HA   VAL  59           HA       VAL  59  -5.210   3.236  -1.095
  417    HB   VAL  59           HB       VAL  59  -5.131   0.577  -2.586
  418   HG11  VAL  59          HG11      VAL  59  -7.081   2.016  -3.156
  419   HG12  VAL  59          HG12      VAL  59  -5.964   3.359  -3.498
  420   HG13  VAL  59          HG13      VAL  59  -5.929   1.893  -4.501
  421   HG21  VAL  59          HG21      VAL  59  -3.539   3.141  -3.020
  422   HG22  VAL  59          HG22      VAL  59  -2.884   1.575  -2.478
  423   HG23  VAL  59          HG23      VAL  59  -3.555   1.734  -4.112
  424    H    GLU  60           H        GLU  60  -7.067   3.574   0.061
  425    HA   GLU  60           HA       GLU  60  -8.808   1.415   0.902
  426    HB2  GLU  60           HB2      GLU  60  -9.324   4.404   0.570
  427    HB3  GLU  60           HB3      GLU  60 -10.400   3.257   1.387
  428    HG2  GLU  60           HG2      GLU  60  -8.588   2.748   3.019
  429    HG3  GLU  60           HG3      GLU  60  -7.567   3.971   2.241
  430    H    LEU  61           H        LEU  61 -10.895   0.873  -0.016
  431    HA   LEU  61           HA       LEU  61 -11.338   1.927  -2.769
  432    HB2  LEU  61           HB2      LEU  61 -11.892  -0.933  -2.025
  433    HB3  LEU  61           HB3      LEU  61 -11.831  -0.219  -3.625
  434    HG   LEU  61           HG       LEU  61  -9.337  -0.357  -1.881
  435   HD11  LEU  61          HD11      LEU  61 -10.315  -2.363  -3.922
  436   HD12  LEU  61          HD12      LEU  61  -8.765  -2.413  -3.054
  437   HD13  LEU  61          HD13      LEU  61 -10.291  -2.613  -2.160
  438   HD21  LEU  61          HD21      LEU  61  -9.801  -0.198  -4.897
  439   HD22  LEU  61          HD22      LEU  61  -9.289   1.158  -3.866
  440   HD23  LEU  61          HD23      LEU  61  -8.218  -0.242  -4.085
  441    H    GLY  62           H        GLY  62 -13.641   0.792  -3.474
  442    HA2  GLY  62           HA2      GLY  62 -15.492   2.106  -1.575
  443    HA3  GLY  62           HA3      GLY  62 -15.756   1.743  -3.285
  444    H    SER  63           H        SER  63 -14.919  -1.114  -3.098
  445    HA   SER  63           HA       SER  63 -16.966  -2.269  -1.311
  446    HB2  SER  63           HB2      SER  63 -17.132  -2.466  -4.345
  447    HB3  SER  63           HB3      SER  63 -18.132  -3.375  -3.195
  448    HG   SER  63           HG       SER  63 -19.172  -1.492  -3.978
  449    H    GLU  64           H        GLU  64 -17.105  -4.692  -1.644
  450    HA   GLU  64           HA       GLU  64 -14.568  -5.933  -1.416
  451    HB2  GLU  64           HB2      GLU  64 -16.654  -6.861  -0.494
  452    HB3  GLU  64           HB3      GLU  64 -17.315  -7.061  -2.117
  453    HG2  GLU  64           HG2      GLU  64 -15.551  -8.671  -2.682
  454    HG3  GLU  64           HG3      GLU  64 -14.793  -8.421  -1.092
  455    H    ASP  65           H        ASP  65 -16.590  -5.222  -4.260
  456    HA   ASP  65           HA       ASP  65 -15.304  -7.156  -5.942
  457    HB2  ASP  65           HB2      ASP  65 -17.541  -6.100  -6.344
  458    HB3  ASP  65           HB3      ASP  65 -16.729  -4.564  -6.686
  459    H    ASP  66           H        ASP  66 -14.496  -3.856  -4.907
  460    HA   ASP  66           HA       ASP  66 -12.543  -3.397  -7.011
  461    HB2  ASP  66           HB2      ASP  66 -13.061  -2.072  -4.317
  462    HB3  ASP  66           HB3      ASP  66 -11.934  -1.478  -5.534
  463    H    VAL  67           H        VAL  67 -12.473  -4.646  -3.620
  464    HA   VAL  67           HA       VAL  67  -9.585  -4.620  -3.535
  465    HB   VAL  67           HB       VAL  67 -10.547  -4.615  -1.432
  466   HG11  VAL  67          HG11      VAL  67 -12.210  -6.140  -0.572
  467   HG12  VAL  67          HG12      VAL  67 -12.804  -5.248  -1.981
  468   HG13  VAL  67          HG13      VAL  67 -12.299  -6.963  -2.144
  469   HG21  VAL  67          HG21      VAL  67  -8.695  -6.295  -1.618
  470   HG22  VAL  67          HG22      VAL  67  -9.856  -6.637  -0.313
  471   HG23  VAL  67          HG23      VAL  67  -9.930  -7.561  -1.827
  472    H    LYS  68           H        LYS  68 -12.034  -7.086  -4.478
  473    HA   LYS  68           HA       LYS  68 -10.151  -9.176  -4.900
  474    HB2  LYS  68           HB2      LYS  68 -12.843  -8.484  -6.137
  475    HB3  LYS  68           HB3      LYS  68 -11.949  -9.961  -6.539
  476    HG2  LYS  68           HG2      LYS  68 -11.931 -10.663  -4.207
  477    HG3  LYS  68           HG3      LYS  68 -12.745  -9.166  -3.711
  478    HD2  LYS  68           HD2      LYS  68 -14.705  -9.743  -5.080
  479    HD3  LYS  68           HD3      LYS  68 -13.904 -11.220  -5.651
  480    HE2  LYS  68           HE2      LYS  68 -14.546 -10.603  -2.738
  481    HE3  LYS  68           HE3      LYS  68 -15.539 -11.619  -3.801
  482    HZ1  LYS  68           HZ1      LYS  68 -12.736 -12.152  -3.066
  483    HZ2  LYS  68           HZ2      LYS  68 -14.054 -12.929  -2.461
  484    HZ3  LYS  68           HZ3      LYS  68 -13.662 -13.090  -4.052
  485    H    MET  69           H        MET  69 -11.353  -6.581  -7.101
  486    HA   MET  69           HA       MET  69  -9.858  -7.515  -9.366
  487    HB2  MET  69           HB2      MET  69 -11.239  -4.922  -8.638
  488    HB3  MET  69           HB3      MET  69 -10.322  -5.099 -10.140
  489    HG2  MET  69           HG2      MET  69 -11.671  -7.184 -10.628
  490    HG3  MET  69           HG3      MET  69 -12.696  -6.773  -9.252
  491    HE1  MET  69           HE1      MET  69 -13.990  -4.414  -9.089
  492    HE2  MET  69           HE2      MET  69 -12.578  -3.481  -9.647
  493    HE3  MET  69           HE3      MET  69 -14.153  -3.279 -10.450
  494    H    ALA  70           H        ALA  70  -8.967  -5.462  -6.613
  495    HA   ALA  70           HA       ALA  70  -6.637  -4.326  -7.888
  496    HB1  ALA  70           HB1      ALA  70  -7.324  -4.744  -4.956
  497    HB2  ALA  70           HB2      ALA  70  -6.030  -3.697  -5.585
  498    HB3  ALA  70           HB3      ALA  70  -7.730  -3.313  -5.930
  499    H    LEU  71           H        LEU  71  -7.339  -7.347  -6.177
  500    HA   LEU  71           HA       LEU  71  -4.553  -8.076  -5.796
  501    HB2  LEU  71           HB2      LEU  71  -7.151  -9.641  -5.575
  502    HB3  LEU  71           HB3      LEU  71  -5.564 -10.212  -5.014
  503    HG   LEU  71           HG       LEU  71  -6.845  -7.623  -4.052
  504   HD11  LEU  71          HD11      LEU  71  -6.836 -10.351  -2.721
  505   HD12  LEU  71          HD12      LEU  71  -7.462  -8.835  -2.018
  506   HD13  LEU  71          HD13      LEU  71  -8.257  -9.547  -3.440
  507   HD21  LEU  71          HD21      LEU  71  -4.428  -7.706  -3.805
  508   HD22  LEU  71          HD22      LEU  71  -5.250  -7.792  -2.235
  509   HD23  LEU  71          HD23      LEU  71  -4.555  -9.271  -2.959
  510    H    LYS  72           H        LYS  72  -6.802  -8.270  -8.426
  511    HA   LYS  72           HA       LYS  72  -5.739 -10.607  -9.720
  512    HB2  LYS  72           HB2      LYS  72  -7.108  -8.166 -10.899
  513    HB3  LYS  72           HB3      LYS  72  -6.827  -9.696 -11.747
  514    HG2  LYS  72           HG2      LYS  72  -8.528  -9.328  -9.260
  515    HG3  LYS  72           HG3      LYS  72  -9.136  -9.562 -10.901
  516    HD2  LYS  72           HD2      LYS  72  -8.158 -11.809 -10.984
  517    HD3  LYS  72           HD3      LYS  72  -7.434 -11.585  -9.372
  518    HE2  LYS  72           HE2      LYS  72  -9.636 -11.296  -8.371
  519    HE3  LYS  72           HE3      LYS  72 -10.411 -11.467  -9.960
  520    HZ1  LYS  72           HZ1      LYS  72  -9.520 -13.694 -10.077
  521    HZ2  LYS  72           HZ2      LYS  72  -8.810 -13.533  -8.602
  522    HZ3  LYS  72           HZ3      LYS  72 -10.449 -13.523  -8.730
  523    H    LYS  73           H        LYS  73  -4.187  -7.639  -9.144
  524    HA   LYS  73           HA       LYS  73  -2.232  -8.275 -11.267
  525    HB2  LYS  73           HB2      LYS  73  -1.956  -5.903 -11.796
  526    HB3  LYS  73           HB3      LYS  73  -3.607  -6.421 -12.140
  527    HG2  LYS  73           HG2      LYS  73  -2.974  -5.238  -9.433
  528    HG3  LYS  73           HG3      LYS  73  -3.000  -4.177 -10.843
  529    HD2  LYS  73           HD2      LYS  73  -5.309  -6.022 -10.133
  530    HD3  LYS  73           HD3      LYS  73  -5.179  -4.357  -9.575
  531    HE2  LYS  73           HE2      LYS  73  -5.046  -3.579 -11.937
  532    HE3  LYS  73           HE3      LYS  73  -5.218  -5.257 -12.487
  533    HZ1  LYS  73           HZ1      LYS  73  -7.356  -5.318 -11.379
  534    HZ2  LYS  73           HZ2      LYS  73  -7.204  -3.747 -10.926
  535    HZ3  LYS  73           HZ3      LYS  73  -7.314  -4.131 -12.526
  536    H    ASP  74           H        ASP  74  -2.427  -8.859  -8.486
  537    HA   ASP  74           HA       ASP  74  -1.109  -7.332  -6.674
  538    HB2  ASP  74           HB2      ASP  74  -0.682  -9.340  -5.468
  539    HB3  ASP  74           HB3      ASP  74  -2.230  -9.499  -6.304
  540    H    ARG  75           H        ARG  75   0.576  -8.509  -9.490
  541    HA   ARG  75           HA       ARG  75   3.035  -7.409  -8.306
  542    HB2  ARG  75           HB2      ARG  75   2.957 -10.216  -9.435
  543    HB3  ARG  75           HB3      ARG  75   4.417  -9.288  -9.015
  544    HG2  ARG  75           HG2      ARG  75   3.717  -9.141  -6.683
  545    HG3  ARG  75           HG3      ARG  75   2.259 -10.095  -7.053
  546    HD2  ARG  75           HD2      ARG  75   4.018 -11.520  -6.149
  547    HD3  ARG  75           HD3      ARG  75   3.629 -11.942  -7.827
  548    HE   ARG  75           HE       ARG  75   6.073 -10.471  -6.928
  549   HH11  ARG  75          HH11      ARG  75   4.392 -12.464  -9.332
  550   HH12  ARG  75          HH12      ARG  75   5.816 -12.663 -10.323
  551   HH21  ARG  75          HH21      ARG  75   7.895 -10.746  -8.251
  552   HH22  ARG  75          HH22      ARG  75   7.791 -11.703  -9.710
  553    H    GLU  76           H        GLU  76   1.032  -6.777 -10.593
  554    HA   GLU  76           HA       GLU  76   2.477  -7.217 -13.052
  555    HB2  GLU  76           HB2      GLU  76   0.277  -5.225 -12.429
  556    HB3  GLU  76           HB3      GLU  76   0.874  -5.658 -14.044
  557    HG2  GLU  76           HG2      GLU  76  -0.507  -7.438 -12.057
  558    HG3  GLU  76           HG3      GLU  76  -1.113  -6.922 -13.638
  559    H    SER  77           H        SER  77   2.345  -4.800 -14.351
  560    HA   SER  77           HA       SER  77   4.216  -2.976 -12.960
  561    HB2  SER  77           HB2      SER  77   5.831  -3.126 -14.837
  562    HB3  SER  77           HB3      SER  77   5.651  -4.684 -14.000
  563    HG   SER  77           HG       SER  77   5.570  -4.901 -16.275
  564    H    MET  78           H        MET  78   4.418  -0.899 -13.935
  565    HA   MET  78           HA       MET  78   2.105  -0.063 -15.505
  566    HB2  MET  78           HB2      MET  78   4.596   1.335 -14.469
  567    HB3  MET  78           HB3      MET  78   3.383   2.159 -15.471
  568    HG2  MET  78           HG2      MET  78   1.637   1.707 -13.858
  569    HG3  MET  78           HG3      MET  78   2.735   0.742 -12.874
  570    HE1  MET  78           HE1      MET  78   0.950   3.019 -11.654
  571    HE2  MET  78           HE2      MET  78   2.090   2.018 -10.734
  572    HE3  MET  78           HE3      MET  78   2.116   3.787 -10.554
  573    H    GLY  79           H        GLY  79   5.421  -1.036 -16.233
  574    HA2  GLY  79           HA2      GLY  79   5.414  -1.735 -18.721
  575    HA3  GLY  79           HA3      GLY  79   5.104  -0.014 -19.010
  576    H    HIS  80           H        HIS  80   6.943   0.446 -16.477
  577    HA   HIS  80           HA       HIS  80   9.565  -0.125 -17.749
  578    HB2  HIS  80           HB2      HIS  80   8.641   2.611 -16.795
  579    HB3  HIS  80           HB3      HIS  80  10.270   2.206 -17.348
  580    HD1  HIS  80           HD1      HIS  80   6.998   3.388 -18.688
  581    HD2  HIS  80           HD2      HIS  80  10.405   1.340 -20.051
  582    HE1  HIS  80           HE1      HIS  80   6.956   3.520 -21.235
  583    H    ARG  81           H        ARG  81   7.580  -0.107 -15.027
  584    HA   ARG  81           HA       ARG  81   9.770  -1.047 -13.359
  585    HB2  ARG  81           HB2      ARG  81   9.573   1.532 -13.056
  586    HB3  ARG  81           HB3      ARG  81   7.997   1.203 -12.323
  587    HG2  ARG  81           HG2      ARG  81   9.643   1.388 -10.553
  588    HG3  ARG  81           HG3      ARG  81   9.180  -0.317 -10.677
  589    HD2  ARG  81           HD2      ARG  81  11.217  -0.662 -12.164
  590    HD3  ARG  81           HD3      ARG  81  11.679   1.007 -11.801
  591    HE   ARG  81           HE       ARG  81  11.212  -0.732  -9.471
  592   HH11  ARG  81          HH11      ARG  81  13.542   0.667 -11.739
  593   HH12  ARG  81          HH12      ARG  81  14.921   0.329 -10.722
  594   HH21  ARG  81          HH21      ARG  81  13.052  -1.235  -8.203
  595   HH22  ARG  81          HH22      ARG  81  14.643  -0.711  -8.714
  596    H    TYR  82           H        TYR  82   8.722  -2.020 -11.255
  597    HA   TYR  82           HA       TYR  82   6.030  -2.958 -12.073
  598    HB2  TYR  82           HB2      TYR  82   6.562  -5.026 -12.072
  599    HB3  TYR  82           HB3      TYR  82   8.216  -4.473 -12.205
  600    HD1  TYR  82           HD1      TYR  82   9.760  -4.657 -10.213
  601    HD2  TYR  82           HD2      TYR  82   5.686  -6.074 -10.117
  602    HE1  TYR  82           HE1      TYR  82  10.318  -6.168  -8.347
  603    HE2  TYR  82           HE2      TYR  82   6.237  -7.572  -8.227
  604    HH   TYR  82           HH       TYR  82   9.561  -7.737  -6.870
  605    H    ILE  83           H        ILE  83   4.754  -4.041 -10.338
  606    HA   ILE  83           HA       ILE  83   4.822  -2.296  -7.946
  607    HB   ILE  83           HB       ILE  83   2.509  -2.596  -9.909
  608   HG12  ILE  83          HG12      ILE  83   2.797   0.046  -9.612
  609   HG13  ILE  83          HG13      ILE  83   4.459  -0.415  -9.222
  610   HG21  ILE  83          HG21      ILE  83   1.551  -2.550  -7.679
  611   HG22  ILE  83          HG22      ILE  83   2.638  -1.218  -7.194
  612   HG23  ILE  83          HG23      ILE  83   1.353  -0.952  -8.395
  613   HD11  ILE  83          HD11      ILE  83   2.946  -1.050 -11.777
  614   HD12  ILE  83          HD12      ILE  83   4.274   0.133 -11.576
  615   HD13  ILE  83          HD13      ILE  83   4.595  -1.594 -11.423
  616    H    GLU  84           H        GLU  84   3.104  -3.006  -6.394
  617    HA   GLU  84           HA       GLU  84   2.585  -5.921  -6.448
  618    HB2  GLU  84           HB2      GLU  84   4.506  -4.401  -4.733
  619    HB3  GLU  84           HB3      GLU  84   3.485  -5.614  -3.917
  620    HG2  GLU  84           HG2      GLU  84   4.241  -7.284  -5.651
  621    HG3  GLU  84           HG3      GLU  84   5.364  -6.053  -6.265
  622    H    VAL  85           H        VAL  85   0.858  -6.545  -5.137
  623    HA   VAL  85           HA       VAL  85  -0.535  -4.474  -3.546
  624    HB   VAL  85           HB       VAL  85  -2.124  -6.240  -5.419
  625   HG11  VAL  85          HG11      VAL  85  -3.310  -5.116  -3.582
  626   HG12  VAL  85          HG12      VAL  85  -2.678  -3.542  -4.129
  627   HG13  VAL  85          HG13      VAL  85  -3.802  -4.462  -5.153
  628   HG21  VAL  85          HG21      VAL  85  -0.662  -4.987  -6.932
  629   HG22  VAL  85          HG22      VAL  85  -2.319  -4.367  -7.005
  630   HG23  VAL  85          HG23      VAL  85  -1.077  -3.468  -6.095
  631    H    PHE  86           H        PHE  86  -1.972  -5.419  -1.974
  632    HA   PHE  86           HA       PHE  86  -2.154  -8.337  -1.767
  633    HB2  PHE  86           HB2      PHE  86   0.101  -7.644  -0.903
  634    HB3  PHE  86           HB3      PHE  86  -0.700  -6.745   0.377
  635    HD1  PHE  86           HD1      PHE  86  -1.879  -7.968   2.161
  636    HD2  PHE  86           HD2      PHE  86   0.335 -10.050  -0.878
  637    HE1  PHE  86           HE1      PHE  86  -1.889 -10.009   3.567
  638    HE2  PHE  86           HE2      PHE  86   0.314 -12.094   0.514
  639    HZ   PHE  86           HZ       PHE  86  -0.795 -12.086   2.733
  640    H    LYS  87           H        LYS  87  -3.664  -8.952  -0.004
  641    HA   LYS  87           HA       LYS  87  -5.791  -7.001   0.095
  642    HB2  LYS  87           HB2      LYS  87  -5.974  -9.513  -0.211
  643    HB3  LYS  87           HB3      LYS  87  -5.658  -9.678   1.529
  644    HG2  LYS  87           HG2      LYS  87  -7.619  -8.278   2.012
  645    HG3  LYS  87           HG3      LYS  87  -7.855  -7.979   0.279
  646    HD2  LYS  87           HD2      LYS  87  -8.275 -10.386  -0.092
  647    HD3  LYS  87           HD3      LYS  87  -8.051 -10.698   1.644
  648    HE2  LYS  87           HE2      LYS  87  -9.949  -9.213   2.171
  649    HE3  LYS  87           HE3      LYS  87 -10.141  -8.827   0.450
  650    HZ1  LYS  87           HZ1      LYS  87 -11.691 -10.506   1.130
  651    HZ2  LYS  87           HZ2      LYS  87 -10.625 -11.153   0.057
  652    HZ3  LYS  87           HZ3      LYS  87 -10.497 -11.497   1.660
  653    H    SER  88           H        SER  88  -6.821  -6.191   2.010
  654    HA   SER  88           HA       SER  88  -5.167  -6.192   4.473
  655    HB2  SER  88           HB2      SER  88  -4.415  -4.306   3.019
  656    HB3  SER  88           HB3      SER  88  -6.057  -3.638   3.092
  657    HG   SER  88           HG       SER  88  -4.590  -2.778   4.681
  658    H    HIS  89           H        HIS  89  -6.418  -4.446   6.015
  659    HA   HIS  89           HA       HIS  89  -9.320  -4.956   5.947
  660    HB2  HIS  89           HB2      HIS  89  -9.188  -5.909   8.294
  661    HB3  HIS  89           HB3      HIS  89  -8.529  -6.951   7.026
  662    HD1  HIS  89           HD1      HIS  89  -7.411  -5.080  10.135
  663    HD2  HIS  89           HD2      HIS  89  -5.829  -7.261   6.909
  664    HE1  HIS  89           HE1      HIS  89  -4.966  -5.579  10.712
  665    H    ARG  90           H        ARG  90  -6.942  -2.807   6.232
  666    HA   ARG  90           HA       ARG  90  -7.038  -0.611   6.655
  667    HB2  ARG  90           HB2      ARG  90  -9.535  -0.988   6.230
  668    HB3  ARG  90           HB3      ARG  90  -9.737  -0.915   7.993
  669    HG2  ARG  90           HG2      ARG  90  -8.684   1.334   8.013
  670    HG3  ARG  90           HG3      ARG  90  -8.428   1.221   6.256
  671    HD2  ARG  90           HD2      ARG  90 -10.905   0.983   5.960
  672    HD3  ARG  90           HD3      ARG  90 -11.109   1.259   7.699
  673    HE   ARG  90           HE       ARG  90 -10.221   3.222   5.650
  674   HH11  ARG  90          HH11      ARG  90 -10.994   2.581   9.050
  675   HH12  ARG  90          HH12      ARG  90 -11.075   4.279   9.454
  676   HH21  ARG  90          HH21      ARG  90 -10.324   5.367   6.196
  677   HH22  ARG  90          HH22      ARG  90 -10.707   5.870   7.833
  678    H    THR  91           H        THR  91  -7.676  -2.836   9.344
  679    HA   THR  91           HA       THR  91  -7.073  -0.915  11.411
  680    HB   THR  91           HB       THR  91  -6.684  -3.938  11.428
  681    HG1  THR  91           HG1      THR  91  -8.781  -3.899  12.347
  682   HG21  THR  91          HG21      THR  91  -7.022  -3.663  13.874
  683   HG22  THR  91          HG22      THR  91  -5.580  -2.802  13.298
  684   HG23  THR  91          HG23      THR  91  -7.070  -1.895  13.653
  685    H    GLU  92           H        GLU  92  -5.102  -3.198   9.456
  686    HA   GLU  92           HA       GLU  92  -2.586  -2.525  10.715
  687    HB2  GLU  92           HB2      GLU  92  -3.057  -4.569   9.297
  688    HB3  GLU  92           HB3      GLU  92  -3.142  -3.487   7.879
  689    HG2  GLU  92           HG2      GLU  92  -0.831  -2.753   8.294
  690    HG3  GLU  92           HG3      GLU  92  -0.747  -3.773   9.738
  691    H    MET  93           H        MET  93  -4.478  -1.198   7.988
  692    HA   MET  93           HA       MET  93  -2.456   0.483   6.952
  693    HB2  MET  93           HB2      MET  93  -4.583  -0.059   5.838
  694    HB3  MET  93           HB3      MET  93  -5.477   0.874   7.043
  695    HG2  MET  93           HG2      MET  93  -3.279   2.124   5.386
  696    HG3  MET  93           HG3      MET  93  -4.923   1.973   4.765
  697    HE1  MET  93           HE1      MET  93  -6.809   2.542   7.267
  698    HE2  MET  93           HE2      MET  93  -7.066   4.273   6.959
  699    HE3  MET  93           HE3      MET  93  -6.986   3.129   5.596
  700    H    ASP  94           H        ASP  94  -4.915   1.063   9.521
  701    HA   ASP  94           HA       ASP  94  -4.082   3.750  10.074
  702    HB2  ASP  94           HB2      ASP  94  -6.281   2.642  10.626
  703    HB3  ASP  94           HB3      ASP  94  -5.440   1.748  11.892
  704    H    TRP  95           H        TRP  95  -3.000   0.584  11.135
  705    HA   TRP  95           HA       TRP  95  -1.709   1.393  13.565
  706    HB2  TRP  95           HB2      TRP  95  -2.460  -0.900  13.079
  707    HB3  TRP  95           HB3      TRP  95  -1.280  -1.020  11.779
  708    HD1  TRP  95           HD1      TRP  95  -1.611  -1.273  15.534
  709    HE1  TRP  95           HE1      TRP  95   0.568  -2.113  16.564
  710    HE3  TRP  95           HE3      TRP  95   1.371  -1.021  11.396
  711    HZ2  TRP  95           HZ2      TRP  95   3.302  -2.575  15.703
  712    HZ3  TRP  95           HZ3      TRP  95   3.760  -1.624  11.530
  713    HH2  TRP  95           HH2      TRP  95   4.739  -2.416  13.675
  714    H    VAL  96           H        VAL  96  -0.723   1.694  10.225
  715    HA   VAL  96           HA       VAL  96   2.063   2.297  11.165
  716    HB   VAL  96           HB       VAL  96   2.060   0.261   9.866
  717   HG11  VAL  96          HG11      VAL  96   0.562   1.900   7.837
  718   HG12  VAL  96          HG12      VAL  96   1.422   0.381   7.455
  719   HG13  VAL  96          HG13      VAL  96   0.080   0.370   8.612
  720   HG21  VAL  96          HG21      VAL  96   3.662   0.868   8.165
  721   HG22  VAL  96          HG22      VAL  96   3.098   2.553   8.169
  722   HG23  VAL  96          HG23      VAL  96   3.934   1.891   9.594
  723    H    LEU  97           H        LEU  97  -0.771   3.487   9.425
  724    HA   LEU  97           HA       LEU  97   0.578   5.680   8.152
  725    HB2  LEU  97           HB2      LEU  97  -2.168   4.742   8.628
  726    HB3  LEU  97           HB3      LEU  97  -2.046   6.494   8.745
  727    HG   LEU  97           HG       LEU  97  -2.650   5.796   6.497
  728   HD11  LEU  97          HD11      LEU  97  -0.980   7.070   5.250
  729   HD12  LEU  97          HD12      LEU  97  -1.298   7.849   6.816
  730   HD13  LEU  97          HD13      LEU  97   0.188   6.903   6.572
  731   HD21  LEU  97          HD21      LEU  97   0.026   4.355   6.446
  732   HD22  LEU  97          HD22      LEU  97  -1.591   3.608   6.392
  733   HD23  LEU  97          HD23      LEU  97  -1.042   4.621   5.051
  734    H    LYS  98           H        LYS  98   0.237   5.004  11.440
  735    HA   LYS  98           HA       LYS  98   0.547   7.868  12.160
  736    HB2  LYS  98           HB2      LYS  98  -1.312   5.850  13.465
  737    HB3  LYS  98           HB3      LYS  98  -0.903   7.448  14.112
  738    HG2  LYS  98           HG2      LYS  98  -1.743   8.472  11.963
  739    HG3  LYS  98           HG3      LYS  98  -2.322   6.857  11.484
  740    HD2  LYS  98           HD2      LYS  98  -3.707   6.753  13.532
  741    HD3  LYS  98           HD3      LYS  98  -3.087   8.344  14.023
  742    HE2  LYS  98           HE2      LYS  98  -5.306   8.583  13.017
  743    HE3  LYS  98           HE3      LYS  98  -4.083   9.365  12.001
  744    HZ1  LYS  98           HZ1      LYS  98  -5.218   6.683  11.546
  745    HZ2  LYS  98           HZ2      LYS  98  -5.627   8.048  10.719
  746    HZ3  LYS  98           HZ3      LYS  98  -4.107   7.431  10.590
  747    H    HIS  99           H        HIS  99   2.202   5.116  11.997
  748    HA   HIS  99           HA       HIS  99   3.640   5.648  14.510
  749    HB2  HIS  99           HB2      HIS  99   1.844   3.940  14.977
  750    HB3  HIS  99           HB3      HIS  99   2.622   2.877  13.799
  751    HD1  HIS  99           HD1      HIS  99   3.963   1.092  15.108
  752    HD2  HIS  99           HD2      HIS  99   4.059   4.922  16.837
  753    HE1  HIS  99           HE1      HIS  99   5.458   0.922  17.172
  754    H    SER 100           H        SER 100   3.848   5.429  11.285
  755    HA   SER 100           HA       SER 100   5.898   3.563  10.739
  756    HB2  SER 100           HB2      SER 100   6.359   5.031   8.780
  757    HB3  SER 100           HB3      SER 100   4.636   4.668   8.988
  758    HG   SER 100           HG       SER 100   5.994   7.050   9.732
  759    H    GLY 101           H        GLY 101   8.158   3.814  10.439
  760    HA2  GLY 101           HA2      GLY 101   9.643   6.097  11.193
  761    HA3  GLY 101           HA3      GLY 101   9.509   5.038  12.606
  762    HA   PRO 102           HA       PRO 102  12.988   3.649   9.722
  763    HB2  PRO 102           HB2      PRO 102  15.125   4.205  11.341
  764    HB3  PRO 102           HB3      PRO 102  14.389   5.418  10.243
  765    HG2  PRO 102           HG2      PRO 102  13.870   5.030  13.203
  766    HG3  PRO 102           HG3      PRO 102  14.225   6.560  12.332
  767    HD2  PRO 102           HD2      PRO 102  11.676   5.796  12.936
  768    HD3  PRO 102           HD3      PRO 102  12.056   6.629  11.397
  769    H5'    A   1           H5'        A   1  19.643   2.858   1.676
  770   H5''    A   1          H5''        A   1  18.010   2.359   1.190
  771    H4'    A   1           H4'        A   1  20.310   0.385   1.497
  772    H3'    A   1           H3'        A   1  20.454   2.294  -0.382
  773    H2'    A   1           H2'        A   1  18.315   2.427  -1.102
  774   HO2'    A   1          HO2'        A   1  19.586   1.765  -2.917
  775    H1'    A   1           H1'        A   1  17.665  -0.436  -1.214
  776    H8     A   1           H8         A   1  15.628  -1.141   0.378
  777    H61    A   1           H61        A   1  11.860   3.769   0.733
  778    H62    A   1           H62        A   1  11.987   2.037   0.979
  779    H2     A   1           H2         A   1  15.818   5.157  -0.732
  780   HO5'    A   1          HO5'        A   1  19.471   1.451   3.462
  781    H5'    G   2           H5'        G   2  19.640  -3.099  -2.925
  782   H5''    G   2          H5''        G   2  19.687  -1.413  -3.500
  783    H4'    G   2           H4'        G   2  17.192  -2.391  -2.099
  784    H3'    G   2           H3'        G   2  17.853  -2.886  -5.020
  785    H2'    G   2           H2'        G   2  15.533  -2.606  -5.397
  786   HO2'    G   2          HO2'        G   2  14.851  -4.132  -3.804
  787    H1'    G   2           H1'        G   2  15.268  -0.906  -3.034
  788    H8     G   2           H8         G   2  17.419   0.633  -5.630
  789    H1     G   2           H1         G   2  11.175   1.496  -6.706
  790    H21    G   2           H21        G   2   9.990   0.199  -5.417
  791    H22    G   2           H22        G   2  10.722  -0.962  -4.323
  792    H5'    G   3           H5'        G   3  14.663  -5.801  -3.023
  793   H5''    G   3          H5''        G   3  15.329  -7.350  -3.580
  794    H4'    G   3           H4'        G   3  12.912  -7.475  -3.653
  795    H3'    G   3           H3'        G   3  14.581  -8.046  -5.858
  796    H2'    G   3           H2'        G   3  13.977  -6.020  -6.973
  797   HO2'    G   3          HO2'        G   3  12.093  -8.035  -7.675
  798    H1'    G   3           H1'        G   3  11.182  -6.560  -5.890
  799    H8     G   3           H8         G   3  13.579  -3.954  -7.421
  800    H1     G   3           H1         G   3   7.361  -2.435  -7.575
  801    H21    G   3           H21        G   3   6.223  -3.779  -6.220
  802    H22    G   3           H22        G   3   7.015  -5.114  -5.399
  803    H5'    G   4           H5'        G   4  14.455  -9.115  -2.760
  804   H5''    G   4          H5''        G   4  14.138 -10.822  -2.404
  805    H4'    G   4           H4'        G   4  13.907  -9.705  -0.330
  806    H3'    G   4           H3'        G   4  11.781 -11.125  -1.286
  807    H2'    G   4           H2'        G   4  10.715  -9.251  -2.335
  808   HO2'    G   4          HO2'        G   4   9.231 -10.161  -0.730
  809    H1'    G   4           H1'        G   4  11.252  -7.668   0.151
  810    H8     G   4           H8         G   4   9.381  -7.658  -2.760
  811    H1     G   4           H1         G   4  12.228  -1.929  -2.303
  812    H21    G   4           H21        G   4  13.840  -2.016  -0.766
  813    H22    G   4           H22        G   4  14.237  -3.502   0.073
  814    H5'    A   5           H5'        A   5   9.102  -9.809   1.752
  815   H5''    A   5          H5''        A   5   8.997 -11.119   2.937
  816    H4'    A   5           H4'        A   5   6.795 -10.417   2.331
  817    H3'    A   5           H3'        A   5   7.440 -13.030   2.431
  818    H2'    A   5           H2'        A   5   8.179 -13.216   0.165
  819   HO2'    A   5          HO2'        A   5   5.417 -13.871   0.240
  820    H1'    A   5           H1'        A   5   5.755 -11.744  -0.837
  821    H8     A   5           H8         A   5   9.456 -12.457  -1.142
  822    H61    A   5           H61        A   5   9.082  -9.978  -6.813
  823    H62    A   5           H62        A   5  10.126 -10.849  -5.702
  824    H2     A   5           H2         A   5   5.155  -9.459  -4.796
  825    H5'    U   6           H5'        U   6   5.789  -9.104   3.146
  826   H5''    U   6          H5''        U   6   4.239  -8.997   3.995
  827    H4'    U   6           H4'        U   6   4.518  -7.084   2.477
  828    H3'    U   6           H3'        U   6   2.436  -9.123   1.641
  829   HO3'    U   6          HO3'        U   6   2.127  -8.040   3.655
  830    H2'    U   6           H2'        U   6   1.808  -7.597  -0.033
  831   HO2'    U   6          HO2'        U   6   2.012  -5.689   1.382
  832    H1'    U   6           H1'        U   6   4.359  -6.915  -0.807
  833    H3     U   6           H3         U   6   1.756  -9.280  -3.832
  834    H5     U   6           H5         U   6   3.949 -12.077  -1.584
  835    H6     U   6           H6         U   6   4.623 -10.292  -0.124
  Start of MODEL    2
    1    H    MET   1           H        MET   1 -25.671 -17.320  14.133
    2    HA   MET   1           HA       MET   1 -26.744 -16.952  12.044
    3    HB2  MET   1           HB2      MET   1 -29.030 -16.724  12.962
    4    HB3  MET   1           HB3      MET   1 -28.590 -15.155  13.666
    5    HG2  MET   1           HG2      MET   1 -28.087 -14.286  11.405
    6    HG3  MET   1           HG3      MET   1 -28.500 -15.857  10.705
    7    HE1  MET   1           HE1      MET   1 -31.368 -13.519   9.454
    8    HE2  MET   1           HE2      MET   1 -29.665 -13.081   9.720
    9    HE3  MET   1           HE3      MET   1 -30.077 -14.654   8.997
   10    H    MET   2           H        MET   2 -25.300 -15.762  10.963
   11    HA   MET   2           HA       MET   2 -24.772 -12.989  11.744
   12    HB2  MET   2           HB2      MET   2 -22.343 -13.313  11.906
   13    HB3  MET   2           HB3      MET   2 -23.190 -14.234  13.160
   14    HG2  MET   2           HG2      MET   2 -22.989 -16.287  11.798
   15    HG3  MET   2           HG3      MET   2 -22.185 -15.369  10.522
   16    HE1  MET   2           HE1      MET   2 -21.963 -16.831  14.128
   17    HE2  MET   2           HE2      MET   2 -20.365 -16.285  14.686
   18    HE3  MET   2           HE3      MET   2 -21.678 -15.106  14.467
   19    H    LEU   3           H        LEU   3 -23.206 -11.982  10.150
   20    HA   LEU   3           HA       LEU   3 -23.107 -13.274   7.490
   21    HB2  LEU   3           HB2      LEU   3 -24.433 -10.601   8.115
   22    HB3  LEU   3           HB3      LEU   3 -23.996 -11.130   6.488
   23    HG   LEU   3           HG       LEU   3 -25.953 -12.598   8.303
   24   HD11  LEU   3          HD11      LEU   3 -26.414 -10.787   5.900
   25   HD12  LEU   3          HD12      LEU   3 -27.665 -11.701   6.775
   26   HD13  LEU   3          HD13      LEU   3 -26.789 -10.389   7.594
   27   HD21  LEU   3          HD21      LEU   3 -25.262 -12.925   5.347
   28   HD22  LEU   3          HD22      LEU   3 -24.849 -14.077   6.639
   29   HD23  LEU   3          HD23      LEU   3 -26.547 -13.796   6.214
   30    H    GLY   4           H        GLY   4 -21.773 -11.860   5.971
   31    HA2  GLY   4           HA2      GLY   4 -20.175  -9.721   6.812
   32    HA3  GLY   4           HA3      GLY   4 -19.293 -11.196   7.236
   33    HA   PRO   5           HA       PRO   5 -18.485 -10.081   2.736
   34    HB2  PRO   5           HB2      PRO   5 -15.819  -9.544   2.947
   35    HB3  PRO   5           HB3      PRO   5 -17.078  -8.317   3.307
   36    HG2  PRO   5           HG2      PRO   5 -15.610 -10.105   5.268
   37    HG3  PRO   5           HG3      PRO   5 -15.843  -8.324   5.356
   38    HD2  PRO   5           HD2      PRO   5 -17.462 -10.059   6.696
   39    HD3  PRO   5           HD3      PRO   5 -18.118  -8.569   5.946
   40    H    GLU   6           H        GLU   6 -16.663 -11.168   1.357
   41    HA   GLU   6           HA       GLU   6 -15.927 -13.828   2.443
   42    HB2  GLU   6           HB2      GLU   6 -17.579 -13.372  -0.077
   43    HB3  GLU   6           HB3      GLU   6 -16.884 -14.924   0.431
   44    HG2  GLU   6           HG2      GLU   6 -18.207 -14.801   2.542
   45    HG3  GLU   6           HG3      GLU   6 -18.970 -13.311   1.953
   46    H    GLY   7           H        GLY   7 -14.723 -11.127   1.188
   47    HA2  GLY   7           HA2      GLY   7 -12.530 -12.566  -0.137
   48    HA3  GLY   7           HA3      GLY   7 -13.427 -11.420  -1.152
   49    H    GLY   8           H        GLY   8 -13.451 -10.348   2.073
   50    HA2  GLY   8           HA2      GLY   8 -10.871  -9.154   2.322
   51    HA3  GLY   8           HA3      GLY   8 -12.011  -7.994   1.614
   52    H    GLU   9           H        GLU   9 -11.162  -7.123   3.934
   53    HA   GLU   9           HA       GLU   9 -13.432  -7.611   5.776
   54    HB2  GLU   9           HB2      GLU   9 -10.493  -7.742   6.557
   55    HB3  GLU   9           HB3      GLU   9 -11.844  -7.657   7.703
   56    HG2  GLU   9           HG2      GLU   9 -12.753  -9.774   6.763
   57    HG3  GLU   9           HG3      GLU   9 -11.356  -9.875   5.675
   58    H    GLY  10           H        GLY  10 -12.006  -5.438   3.907
   59    HA2  GLY  10           HA2      GLY  10 -12.940  -3.217   5.517
   60    HA3  GLY  10           HA3      GLY  10 -11.178  -3.255   5.378
   61    H    PHE  11           H        PHE  11 -12.106  -4.573   2.513
   62    HA   PHE  11           HA       PHE  11 -11.924  -3.868   0.410
   63    HB2  PHE  11           HB2      PHE  11 -13.545  -1.451   1.150
   64    HB3  PHE  11           HB3      PHE  11 -13.494  -2.302  -0.384
   65    HD1  PHE  11           HD1      PHE  11 -13.672  -5.165   0.931
   66    HD2  PHE  11           HD2      PHE  11 -15.938  -1.536   1.389
   67    HE1  PHE  11           HE1      PHE  11 -15.643  -6.485   1.635
   68    HE2  PHE  11           HE2      PHE  11 -17.914  -2.864   2.087
   69    HZ   PHE  11           HZ       PHE  11 -17.766  -5.338   2.216
   70    H    VAL  12           H        VAL  12  -9.772  -3.370   1.916
   71    HA   VAL  12           HA       VAL  12  -8.650  -0.904   0.670
   72    HB   VAL  12           HB       VAL  12  -8.197  -1.982   3.492
   73   HG11  VAL  12          HG11      VAL  12  -6.677  -0.051   3.778
   74   HG12  VAL  12          HG12      VAL  12  -6.069  -1.198   2.576
   75   HG13  VAL  12          HG13      VAL  12  -6.833   0.324   2.045
   76   HG21  VAL  12          HG21      VAL  12 -10.222  -0.633   3.341
   77   HG22  VAL  12          HG22      VAL  12  -8.960   0.298   4.165
   78   HG23  VAL  12          HG23      VAL  12  -9.356   0.646   2.473
   79    H    VAL  13           H        VAL  13  -6.452  -1.162   0.023
   80    HA   VAL  13           HA       VAL  13  -5.283  -3.873   0.373
   81    HB   VAL  13           HB       VAL  13  -4.603  -3.911  -2.002
   82   HG11  VAL  13          HG11      VAL  13  -6.748  -4.635  -2.895
   83   HG12  VAL  13          HG12      VAL  13  -6.589  -5.149  -1.203
   84   HG13  VAL  13          HG13      VAL  13  -7.617  -3.753  -1.617
   85   HG21  VAL  13          HG21      VAL  13  -4.788  -1.506  -2.528
   86   HG22  VAL  13          HG22      VAL  13  -5.764  -2.486  -3.640
   87   HG23  VAL  13          HG23      VAL  13  -6.553  -1.593  -2.325
   88    H    LYS  14           H        LYS  14  -3.023  -3.981  -0.058
   89    HA   LYS  14           HA       LYS  14  -1.610  -1.494   0.653
   90    HB2  LYS  14           HB2      LYS  14  -0.359  -4.199   0.119
   91    HB3  LYS  14           HB3      LYS  14   0.224  -2.893   1.165
   92    HG2  LYS  14           HG2      LYS  14  -1.812  -3.329   2.646
   93    HG3  LYS  14           HG3      LYS  14  -2.135  -4.758   1.645
   94    HD2  LYS  14           HD2      LYS  14   0.244  -5.524   2.161
   95    HD3  LYS  14           HD3      LYS  14   0.311  -4.214   3.363
   96    HE2  LYS  14           HE2      LYS  14  -1.774  -5.187   4.420
   97    HE3  LYS  14           HE3      LYS  14  -1.680  -6.518   3.256
   98    HZ1  LYS  14           HZ1      LYS  14  -0.664  -7.098   5.345
   99    HZ2  LYS  14           HZ2      LYS  14   0.469  -7.081   4.152
  100    HZ3  LYS  14           HZ3      LYS  14   0.396  -5.841   5.231
  101    H    LEU  15           H        LEU  15   0.323  -0.863  -0.584
  102    HA   LEU  15           HA       LEU  15   0.455  -1.809  -3.400
  103    HB2  LEU  15           HB2      LEU  15  -0.804   0.471  -2.801
  104    HB3  LEU  15           HB3      LEU  15   0.838   1.083  -2.635
  105    HG   LEU  15           HG       LEU  15   0.041   1.581  -4.804
  106   HD11  LEU  15          HD11      LEU  15   1.840  -0.837  -5.174
  107   HD12  LEU  15          HD12      LEU  15   1.619   0.510  -6.302
  108   HD13  LEU  15          HD13      LEU  15   2.407   0.795  -4.729
  109   HD21  LEU  15          HD21      LEU  15  -1.773  -0.079  -4.915
  110   HD22  LEU  15          HD22      LEU  15  -0.782  -0.115  -6.391
  111   HD23  LEU  15          HD23      LEU  15  -0.580  -1.377  -5.158
  112    H    ARG  16           H        ARG  16   2.554  -2.218  -3.947
  113    HA   ARG  16           HA       ARG  16   4.716  -1.281  -2.114
  114    HB2  ARG  16           HB2      ARG  16   4.268  -4.175  -2.944
  115    HB3  ARG  16           HB3      ARG  16   5.601  -3.550  -1.959
  116    HG2  ARG  16           HG2      ARG  16   3.924  -2.822  -0.235
  117    HG3  ARG  16           HG3      ARG  16   2.641  -3.559  -1.221
  118    HD2  ARG  16           HD2      ARG  16   3.287  -5.136   0.494
  119    HD3  ARG  16           HD3      ARG  16   3.837  -5.746  -1.078
  120    HE   ARG  16           HE       ARG  16   5.831  -4.157   0.352
  121   HH11  ARG  16          HH11      ARG  16   4.547  -7.413  -0.182
  122   HH12  ARG  16          HH12      ARG  16   5.987  -8.199   0.426
  123   HH21  ARG  16          HH21      ARG  16   7.649  -5.184   1.154
  124   HH22  ARG  16          HH22      ARG  16   7.734  -6.932   1.217
  125    H    GLY  17           H        GLY  17   6.897  -1.688  -3.035
  126    HA2  GLY  17           HA2      GLY  17   8.308  -2.177  -4.902
  127    HA3  GLY  17           HA3      GLY  17   6.888  -2.110  -5.968
  128    H    LEU  18           H        LEU  18   7.614  -0.634  -7.412
  129    HA   LEU  18           HA       LEU  18   7.792   1.441  -8.325
  130    HB2  LEU  18           HB2      LEU  18   7.347   2.694  -5.596
  131    HB3  LEU  18           HB3      LEU  18   6.984   3.369  -7.179
  132    HG   LEU  18           HG       LEU  18   5.514   1.102  -5.780
  133   HD11  LEU  18          HD11      LEU  18   4.644   3.858  -6.717
  134   HD12  LEU  18          HD12      LEU  18   3.633   2.665  -5.874
  135   HD13  LEU  18          HD13      LEU  18   5.008   3.411  -5.032
  136   HD21  LEU  18          HD21      LEU  18   5.616   0.564  -8.150
  137   HD22  LEU  18          HD22      LEU  18   3.998   1.178  -7.752
  138   HD23  LEU  18          HD23      LEU  18   5.165   2.233  -8.582
  139    HA   PRO  19           HA       PRO  19  12.005   2.627  -7.393
  140    HB2  PRO  19           HB2      PRO  19  12.217   5.133  -8.466
  141    HB3  PRO  19           HB3      PRO  19  11.984   3.673  -9.478
  142    HG2  PRO  19           HG2      PRO  19   9.863   5.599  -8.493
  143    HG3  PRO  19           HG3      PRO  19  10.137   5.026 -10.174
  144    HD2  PRO  19           HD2      PRO  19   8.291   3.862  -8.551
  145    HD3  PRO  19           HD3      PRO  19   9.283   2.875  -9.668
  146    H    TRP  20           H        TRP  20   9.932   3.006  -5.301
  147    HA   TRP  20           HA       TRP  20   9.401   4.161  -3.452
  148    HB2  TRP  20           HB2      TRP  20  12.389   4.334  -3.594
  149    HB3  TRP  20           HB3      TRP  20  11.551   5.231  -2.337
  150    HD1  TRP  20           HD1      TRP  20   9.276   3.035  -1.740
  151    HE1  TRP  20           HE1      TRP  20   9.867   1.035  -0.293
  152    HE3  TRP  20           HE3      TRP  20  14.338   2.943  -2.529
  153    HZ2  TRP  20           HZ2      TRP  20  12.288  -0.319   0.612
  154    HZ3  TRP  20           HZ3      TRP  20  15.736   1.271  -1.304
  155    HH2  TRP  20           HH2      TRP  20  14.731  -0.337   0.210
  156    H    SER  21           H        SER  21   9.162   5.596  -6.005
  157    HA   SER  21           HA       SER  21   8.542   8.207  -4.791
  158    HB2  SER  21           HB2      SER  21  10.780   8.526  -5.805
  159    HB3  SER  21           HB3      SER  21  10.170   7.895  -7.350
  160    HG   SER  21           HG       SER  21  10.127  10.189  -7.243
  161    H    CYS  22           H        CYS  22   6.516   8.806  -5.440
  162    HA   CYS  22           HA       CYS  22   5.378   8.017  -7.992
  163    HB2  CYS  22           HB2      CYS  22   5.382   5.892  -6.623
  164    HB3  CYS  22           HB3      CYS  22   4.320   6.694  -5.450
  165    HG   CYS  22           HG       CYS  22   2.358   7.157  -7.051
  166    H    SER  23           H        SER  23   2.928   8.540  -7.952
  167    HA   SER  23           HA       SER  23   2.200  10.588  -5.924
  168    HB2  SER  23           HB2      SER  23   1.876  10.887  -8.936
  169    HB3  SER  23           HB3      SER  23   1.274  12.015  -7.704
  170    HG   SER  23           HG       SER  23   3.296  12.653  -8.592
  171    H    VAL  24           H        VAL  24  -0.212  11.013  -5.982
  172    HA   VAL  24           HA       VAL  24  -1.459   8.477  -5.712
  173    HB   VAL  24           HB       VAL  24  -3.093   9.555  -4.625
  174   HG11  VAL  24          HG11      VAL  24  -1.234  11.942  -4.905
  175   HG12  VAL  24          HG12      VAL  24  -2.420  11.661  -3.617
  176   HG13  VAL  24          HG13      VAL  24  -1.008  10.591  -3.760
  177   HG21  VAL  24          HG21      VAL  24  -3.059  11.783  -6.671
  178   HG22  VAL  24          HG22      VAL  24  -4.254  10.461  -6.506
  179   HG23  VAL  24          HG23      VAL  24  -4.124  11.691  -5.243
  180    H    GLU  25           H        GLU  25  -1.067  10.471  -8.500
  181    HA   GLU  25           HA       GLU  25  -3.543   9.601  -9.794
  182    HB2  GLU  25           HB2      GLU  25  -1.101  11.059 -10.875
  183    HB3  GLU  25           HB3      GLU  25  -2.652  10.831 -11.707
  184    HG2  GLU  25           HG2      GLU  25  -3.778  12.048  -9.805
  185    HG3  GLU  25           HG3      GLU  25  -2.182  12.369  -9.114
  186    H    ASP  26           H        ASP  26  -0.172   8.529  -9.606
  187    HA   ASP  26           HA       ASP  26  -0.396   6.844 -11.993
  188    HB2  ASP  26           HB2      ASP  26   1.661   6.968  -9.754
  189    HB3  ASP  26           HB3      ASP  26   1.818   6.013 -11.237
  190    H    VAL  27           H        VAL  27  -0.741   6.492  -8.444
  191    HA   VAL  27           HA       VAL  27  -0.879   3.609  -8.580
  192    HB   VAL  27           HB       VAL  27  -0.209   4.794  -6.558
  193   HG11  VAL  27          HG11      VAL  27  -3.101   5.706  -6.322
  194   HG12  VAL  27          HG12      VAL  27  -1.787   5.982  -5.158
  195   HG13  VAL  27          HG13      VAL  27  -1.717   6.740  -6.763
  196   HG21  VAL  27          HG21      VAL  27  -2.809   3.261  -6.167
  197   HG22  VAL  27          HG22      VAL  27  -1.209   2.526  -6.414
  198   HG23  VAL  27          HG23      VAL  27  -1.524   3.503  -4.960
  199    H    GLN  28           H        GLN  28  -3.402   6.233  -8.557
  200    HA   GLN  28           HA       GLN  28  -5.554   4.330  -8.581
  201    HB2  GLN  28           HB2      GLN  28  -6.957   6.197  -9.245
  202    HB3  GLN  28           HB3      GLN  28  -5.872   6.656  -7.922
  203    HG2  GLN  28           HG2      GLN  28  -4.360   7.709  -9.599
  204    HG3  GLN  28           HG3      GLN  28  -5.532   7.342 -10.873
  205   HE21  GLN  28          HE21      GLN  28  -5.083   9.107  -7.789
  206   HE22  GLN  28          HE22      GLN  28  -6.322  10.310  -8.088
  207    H    ASN  29           H        ASN  29  -3.399   5.607 -11.082
  208    HA   ASN  29           HA       ASN  29  -4.971   4.769 -13.345
  209    HB2  ASN  29           HB2      ASN  29  -3.383   6.148 -14.170
  210    HB3  ASN  29           HB3      ASN  29  -2.346   5.921 -12.759
  211   HD21  ASN  29          HD21      ASN  29  -0.851   4.185 -12.670
  212   HD22  ASN  29          HD22      ASN  29  -0.286   3.407 -14.126
  213    H    PHE  30           H        PHE  30  -2.781   3.068 -11.118
  214    HA   PHE  30           HA       PHE  30  -2.364   0.868 -13.000
  215    HB2  PHE  30           HB2      PHE  30  -0.591   1.528 -11.534
  216    HB3  PHE  30           HB3      PHE  30  -1.603   1.342 -10.109
  217    HD1  PHE  30           HD1      PHE  30   0.031  -0.528 -12.897
  218    HD2  PHE  30           HD2      PHE  30  -1.827  -0.771  -9.029
  219    HE1  PHE  30           HE1      PHE  30   0.709  -2.908 -12.718
  220    HE2  PHE  30           HE2      PHE  30  -1.210  -3.155  -8.876
  221    HZ   PHE  30           HZ       PHE  30   0.085  -4.228 -10.711
  222    H    LEU  31           H        LEU  31  -4.563   1.623 -10.350
  223    HA   LEU  31           HA       LEU  31  -5.718  -1.120 -10.522
  224    HB2  LEU  31           HB2      LEU  31  -6.190   1.092  -8.469
  225    HB3  LEU  31           HB3      LEU  31  -6.981  -0.474  -8.498
  226    HG   LEU  31           HG       LEU  31  -5.387  -0.764  -6.878
  227   HD11  LEU  31          HD11      LEU  31  -3.728  -2.321  -7.724
  228   HD12  LEU  31          HD12      LEU  31  -5.296  -2.584  -8.517
  229   HD13  LEU  31          HD13      LEU  31  -3.983  -1.748  -9.384
  230   HD21  LEU  31          HD21      LEU  31  -3.349   0.618  -8.638
  231   HD22  LEU  31          HD22      LEU  31  -4.191   1.320  -7.239
  232   HD23  LEU  31          HD23      LEU  31  -3.068  -0.039  -7.010
  233    H    SER  32           H        SER  32  -6.037   0.311 -12.786
  234    HA   SER  32           HA       SER  32  -8.044   2.278 -12.851
  235    HB2  SER  32           HB2      SER  32  -8.060   1.827 -15.284
  236    HB3  SER  32           HB3      SER  32  -6.417   1.960 -14.626
  237    HG   SER  32           HG       SER  32  -6.674   0.148 -16.016
  238    H    ASP  33           H        ASP  33  -8.481  -1.224 -12.618
  239    HA   ASP  33           HA       ASP  33 -11.223  -1.079 -13.660
  240    HB2  ASP  33           HB2      ASP  33  -9.873  -3.302 -12.083
  241    HB3  ASP  33           HB3      ASP  33 -11.341  -3.426 -13.060
  242    H    CYS  34           H        CYS  34  -9.577  -0.571 -10.665
  243    HA   CYS  34           HA       CYS  34 -11.805  -1.299  -8.916
  244    HB2  CYS  34           HB2      CYS  34  -9.114   0.030  -8.390
  245    HB3  CYS  34           HB3      CYS  34 -10.193  -0.645  -7.155
  246    HG   CYS  34           HG       CYS  34 -10.164  -3.075  -7.966
  247    H    THR  35           H        THR  35 -12.014   0.438  -7.028
  248    HA   THR  35           HA       THR  35 -12.270   3.191  -8.098
  249    HB   THR  35           HB       THR  35 -14.406   1.600  -6.634
  250    HG1  THR  35           HG1      THR  35 -14.357   1.227  -8.859
  251   HG21  THR  35          HG21      THR  35 -15.770   3.678  -6.873
  252   HG22  THR  35          HG22      THR  35 -14.375   3.876  -5.796
  253   HG23  THR  35          HG23      THR  35 -14.313   4.526  -7.452
  254    H    ILE  36           H        ILE  36 -10.931   4.265  -6.865
  255    HA   ILE  36           HA       ILE  36 -10.178   3.473  -4.193
  256    HB   ILE  36           HB       ILE  36  -9.784   6.154  -5.588
  257   HG12  ILE  36          HG12      ILE  36  -7.379   4.862  -5.750
  258   HG13  ILE  36          HG13      ILE  36  -8.477   3.484  -5.928
  259   HG21  ILE  36          HG21      ILE  36  -9.323   6.175  -3.145
  260   HG22  ILE  36          HG22      ILE  36  -8.257   4.764  -3.345
  261   HG23  ILE  36          HG23      ILE  36  -7.823   6.313  -4.092
  262   HD11  ILE  36          HD11      ILE  36  -7.875   4.453  -8.111
  263   HD12  ILE  36          HD12      ILE  36  -9.612   4.680  -7.812
  264   HD13  ILE  36          HD13      ILE  36  -8.485   6.040  -7.590
  265    H    HIS  37           H        HIS  37 -10.810   4.241  -2.258
  266    HA   HIS  37           HA       HIS  37 -13.473   4.672  -1.771
  267    HB2  HIS  37           HB2      HIS  37 -11.702   3.938  -0.241
  268    HB3  HIS  37           HB3      HIS  37 -11.123   5.601  -0.144
  269    HD1  HIS  37           HD1      HIS  37 -13.814   3.288   1.202
  270    HD2  HIS  37           HD2      HIS  37 -12.811   7.361   1.154
  271    HE1  HIS  37           HE1      HIS  37 -15.239   4.402   3.009
  272    H    ASP  38           H        ASP  38 -11.050   7.259  -2.361
  273    HA   ASP  38           HA       ASP  38 -13.268   9.025  -3.117
  274    HB2  ASP  38           HB2      ASP  38 -11.335   9.711  -0.867
  275    HB3  ASP  38           HB3      ASP  38 -12.213  10.921  -1.807
  276    H    GLY  39           H        GLY  39 -10.503   7.612  -4.029
  277    HA2  GLY  39           HA2      GLY  39  -9.030   8.152  -5.755
  278    HA3  GLY  39           HA3      GLY  39  -9.820   9.727  -5.896
  279    H    ALA  40           H        ALA  40  -8.529  11.357  -5.484
  280    HA   ALA  40           HA       ALA  40  -5.975  11.160  -4.258
  281    HB1  ALA  40           HB1      ALA  40  -5.986  13.621  -4.482
  282    HB2  ALA  40           HB2      ALA  40  -6.594  12.832  -5.955
  283    HB3  ALA  40           HB3      ALA  40  -7.736  13.579  -4.810
  284    H    ALA  41           H        ALA  41  -8.859  10.855  -2.694
  285    HA   ALA  41           HA       ALA  41  -7.728  11.954  -0.176
  286    HB1  ALA  41           HB1      ALA  41  -9.589  13.361  -0.902
  287    HB2  ALA  41           HB2      ALA  41 -10.635  11.934  -1.053
  288    HB3  ALA  41           HB3      ALA  41 -10.045  12.434   0.547
  289    H    GLY  42           H        GLY  42  -7.862   9.234  -1.688
  290    HA2  GLY  42           HA2      GLY  42  -8.546   7.662   0.752
  291    HA3  GLY  42           HA3      GLY  42  -9.031   7.122  -0.870
  292    H    VAL  43           H        VAL  43  -6.173   8.686  -1.392
  293    HA   VAL  43           HA       VAL  43  -4.597   6.268  -1.573
  294    HB   VAL  43           HB       VAL  43  -4.494   8.472  -3.024
  295   HG11  VAL  43          HG11      VAL  43  -2.882  10.112  -2.273
  296   HG12  VAL  43          HG12      VAL  43  -4.177   9.989  -1.069
  297   HG13  VAL  43          HG13      VAL  43  -2.591   9.229  -0.767
  298   HG21  VAL  43          HG21      VAL  43  -3.033   6.518  -3.295
  299   HG22  VAL  43          HG22      VAL  43  -2.129   8.032  -3.506
  300   HG23  VAL  43          HG23      VAL  43  -1.968   7.115  -1.999
  301    H    HIS  44           H        HIS  44  -2.530   5.926  -0.418
  302    HA   HIS  44           HA       HIS  44  -1.968   7.591   1.939
  303    HB2  HIS  44           HB2      HIS  44  -2.790   4.680   2.082
  304    HB3  HIS  44           HB3      HIS  44  -1.754   5.425   3.304
  305    HD1  HIS  44           HD1      HIS  44  -2.951   7.701   4.541
  306    HD2  HIS  44           HD2      HIS  44  -5.346   4.908   2.520
  307    HE1  HIS  44           HE1      HIS  44  -5.334   8.047   5.384
  308    H    PHE  45           H        PHE  45   0.128   7.070   2.876
  309    HA   PHE  45           HA       PHE  45   1.927   5.301   1.358
  310    HB2  PHE  45           HB2      PHE  45   2.353   8.292   1.681
  311    HB3  PHE  45           HB3      PHE  45   3.566   7.151   1.096
  312    HD1  PHE  45           HD1      PHE  45   3.250   5.990  -1.097
  313    HD2  PHE  45           HD2      PHE  45   0.622   9.122   0.237
  314    HE1  PHE  45           HE1      PHE  45   2.379   6.244  -3.408
  315    HE2  PHE  45           HE2      PHE  45  -0.246   9.373  -2.071
  316    HZ   PHE  45           HZ       PHE  45   0.617   7.924  -3.894
  317    H    ILE  46           H        ILE  46   4.209   5.468   2.509
  318    HA   ILE  46           HA       ILE  46   3.790   5.792   5.440
  319    HB   ILE  46           HB       ILE  46   5.030   3.349   4.165
  320   HG12  ILE  46          HG12      ILE  46   2.288   3.657   5.477
  321   HG13  ILE  46          HG13      ILE  46   2.563   3.522   3.727
  322   HG21  ILE  46          HG21      ILE  46   4.187   3.965   7.037
  323   HG22  ILE  46          HG22      ILE  46   4.960   2.469   6.463
  324   HG23  ILE  46          HG23      ILE  46   5.861   3.993   6.434
  325   HD11  ILE  46          HD11      ILE  46   3.793   1.368   4.166
  326   HD12  ILE  46          HD12      ILE  46   3.152   1.441   5.827
  327   HD13  ILE  46          HD13      ILE  46   2.039   1.344   4.433
  328    H    TYR  47           H        TYR  47   5.190   7.430   5.789
  329    HA   TYR  47           HA       TYR  47   8.050   6.984   5.443
  330    HB2  TYR  47           HB2      TYR  47   8.451   8.968   4.091
  331    HB3  TYR  47           HB3      TYR  47   7.424   7.831   3.221
  332    HD1  TYR  47           HD1      TYR  47   5.020   8.310   2.879
  333    HD2  TYR  47           HD2      TYR  47   7.650  11.145   4.750
  334    HE1  TYR  47           HE1      TYR  47   3.330  10.103   2.534
  335    HE2  TYR  47           HE2      TYR  47   5.969  12.941   4.415
  336    HH   TYR  47           HH       TYR  47   2.815  12.314   2.826
  337    H    THR  48           H        THR  48   9.101   9.390   6.058
  338    HA   THR  48           HA       THR  48   7.467  10.540   8.264
  339    HB   THR  48           HB       THR  48   9.579  10.663   9.628
  340    HG1  THR  48           HG1      THR  48  11.176   9.126   9.060
  341   HG21  THR  48          HG21      THR  48   8.530   7.887   8.962
  342   HG22  THR  48          HG22      THR  48   9.387   8.361  10.451
  343   HG23  THR  48          HG23      THR  48   7.795   9.061  10.084
  344    H    ARG  49           H        ARG  49   8.263  12.534   9.083
  345    HA   ARG  49           HA       ARG  49   8.780  14.396   6.959
  346    HB2  ARG  49           HB2      ARG  49   8.459  16.057   8.781
  347    HB3  ARG  49           HB3      ARG  49   7.178  14.847   8.662
  348    HG2  ARG  49           HG2      ARG  49   7.571  15.138  10.969
  349    HG3  ARG  49           HG3      ARG  49   8.254  13.566  10.539
  350    HD2  ARG  49           HD2      ARG  49   9.726  14.774  12.068
  351    HD3  ARG  49           HD3      ARG  49  10.515  14.570  10.498
  352    HE   ARG  49           HE       ARG  49   9.244  17.047  10.363
  353   HH11  ARG  49          HH11      ARG  49  11.701  15.558  12.442
  354   HH12  ARG  49          HH12      ARG  49  12.481  17.083  12.791
  355   HH21  ARG  49          HH21      ARG  49  10.296  19.009  10.839
  356   HH22  ARG  49          HH22      ARG  49  11.695  19.024  11.885
  357    H    GLU  50           H        GLU  50  10.986  12.463   8.392
  358    HA   GLU  50           HA       GLU  50  13.155  14.380   7.914
  359    HB2  GLU  50           HB2      GLU  50  14.211  13.973  10.094
  360    HB3  GLU  50           HB3      GLU  50  12.636  14.768  10.262
  361    HG2  GLU  50           HG2      GLU  50  11.587  12.556  10.705
  362    HG3  GLU  50           HG3      GLU  50  13.181  11.796  10.557
  363    H    GLY  51           H        GLY  51  11.973  11.693   6.902
  364    HA2  GLY  51           HA2      GLY  51  14.547  10.191   6.906
  365    HA3  GLY  51           HA3      GLY  51  12.991   9.391   7.196
  366    H    ARG  52           H        ARG  52  12.596   8.229   5.430
  367    HA   ARG  52           HA       ARG  52  12.523   9.536   2.763
  368    HB2  ARG  52           HB2      ARG  52  14.067   7.004   3.477
  369    HB3  ARG  52           HB3      ARG  52  13.721   7.523   1.822
  370    HG2  ARG  52           HG2      ARG  52  15.355   9.126   3.831
  371    HG3  ARG  52           HG3      ARG  52  16.010   8.100   2.547
  372    HD2  ARG  52           HD2      ARG  52  14.784   9.467   0.856
  373    HD3  ARG  52           HD3      ARG  52  14.263  10.564   2.144
  374    HE   ARG  52           HE       ARG  52  16.955  10.296   0.981
  375   HH11  ARG  52          HH11      ARG  52  15.010  11.648   3.617
  376   HH12  ARG  52          HH12      ARG  52  16.206  12.857   4.021
  377   HH21  ARG  52          HH21      ARG  52  18.481  11.883   1.538
  378   HH22  ARG  52          HH22      ARG  52  18.159  12.990   2.851
  379    H    GLN  53           H        GLN  53  11.678   7.825   1.135
  380    HA   GLN  53           HA       GLN  53   9.186   6.746   2.120
  381    HB2  GLN  53           HB2      GLN  53   9.483   7.842  -0.080
  382    HB3  GLN  53           HB3      GLN  53  10.551   6.533  -0.603
  383    HG2  GLN  53           HG2      GLN  53   8.115   6.432  -1.389
  384    HG3  GLN  53           HG3      GLN  53   8.746   4.963  -0.654
  385   HE21  GLN  53          HE21      GLN  53   7.602   4.048   0.980
  386   HE22  GLN  53          HE22      GLN  53   6.381   4.866   1.932
  387    H    SER  54           H        SER  54  11.415   5.615   3.475
  388    HA   SER  54           HA       SER  54  12.221   3.081   2.449
  389    HB2  SER  54           HB2      SER  54  13.077   2.772   4.772
  390    HB3  SER  54           HB3      SER  54  13.537   4.336   4.066
  391    HG   SER  54           HG       SER  54  12.730   4.523   6.213
  392    H    GLY  55           H        GLY  55   9.228   3.539   2.574
  393    HA2  GLY  55           HA2      GLY  55   8.510   1.010   3.946
  394    HA3  GLY  55           HA3      GLY  55   7.602   2.493   4.294
  395    H    GLU  56           H        GLU  56   5.779   1.212   3.446
  396    HA   GLU  56           HA       GLU  56   5.721   1.003   0.468
  397    HB2  GLU  56           HB2      GLU  56   4.121  -0.513   2.555
  398    HB3  GLU  56           HB3      GLU  56   4.054  -0.771   0.806
  399    HG2  GLU  56           HG2      GLU  56   6.569  -1.152   2.477
  400    HG3  GLU  56           HG3      GLU  56   5.419  -2.440   2.116
  401    H    ALA  57           H        ALA  57   2.803   0.566   0.526
  402    HA   ALA  57           HA       ALA  57   1.697   3.090   1.562
  403    HB1  ALA  57           HB1      ALA  57   2.669   3.792  -0.558
  404    HB2  ALA  57           HB2      ALA  57   1.929   2.415  -1.398
  405    HB3  ALA  57           HB3      ALA  57   0.904   3.708  -0.749
  406    H    PHE  58           H        PHE  58  -0.685   3.244   0.806
  407    HA   PHE  58           HA       PHE  58  -1.952   0.586   0.400
  408    HB2  PHE  58           HB2      PHE  58  -2.812   2.604   2.503
  409    HB3  PHE  58           HB3      PHE  58  -3.635   1.108   2.115
  410    HD1  PHE  58           HD1      PHE  58  -2.641  -1.092   2.784
  411    HD2  PHE  58           HD2      PHE  58  -0.895   2.666   3.919
  412    HE1  PHE  58           HE1      PHE  58  -1.407  -2.216   4.626
  413    HE2  PHE  58           HE2      PHE  58   0.292   1.565   5.775
  414    HZ   PHE  58           HZ       PHE  58   0.044  -0.893   6.143
  415    H    VAL  59           H        VAL  59  -4.301   0.839  -0.085
  416    HA   VAL  59           HA       VAL  59  -5.161   3.477  -1.108
  417    HB   VAL  59           HB       VAL  59  -5.163   0.934  -2.799
  418   HG11  VAL  59          HG11      VAL  59  -7.130   2.374  -3.175
  419   HG12  VAL  59          HG12      VAL  59  -6.067   3.782  -3.403
  420   HG13  VAL  59          HG13      VAL  59  -6.033   2.436  -4.568
  421   HG21  VAL  59          HG21      VAL  59  -3.661   2.181  -4.313
  422   HG22  VAL  59          HG22      VAL  59  -3.572   3.511  -3.135
  423   HG23  VAL  59          HG23      VAL  59  -2.906   1.906  -2.734
  424    H    GLU  60           H        GLU  60  -7.103   3.762  -0.103
  425    HA   GLU  60           HA       GLU  60  -8.692   1.484   0.787
  426    HB2  GLU  60           HB2      GLU  60  -9.321   4.464   0.626
  427    HB3  GLU  60           HB3      GLU  60 -10.305   3.246   1.459
  428    HG2  GLU  60           HG2      GLU  60  -8.398   2.757   2.974
  429    HG3  GLU  60           HG3      GLU  60  -7.453   4.029   2.175
  430    H    LEU  61           H        LEU  61 -10.795   0.852  -0.084
  431    HA   LEU  61           HA       LEU  61 -11.308   1.985  -2.807
  432    HB2  LEU  61           HB2      LEU  61 -11.811  -0.869  -2.011
  433    HB3  LEU  61           HB3      LEU  61 -11.847  -0.178  -3.626
  434    HG   LEU  61           HG       LEU  61  -9.279  -0.238  -1.985
  435   HD11  LEU  61          HD11      LEU  61 -10.187  -2.516  -2.245
  436   HD12  LEU  61          HD12      LEU  61 -10.281  -2.256  -4.005
  437   HD13  LEU  61          HD13      LEU  61  -8.699  -2.270  -3.196
  438   HD21  LEU  61          HD21      LEU  61  -9.864  -0.057  -4.974
  439   HD22  LEU  61          HD22      LEU  61  -9.378   1.310  -3.942
  440   HD23  LEU  61          HD23      LEU  61  -8.253  -0.036  -4.222
  441    H    GLY  62           H        GLY  62 -13.593   0.756  -3.472
  442    HA2  GLY  62           HA2      GLY  62 -15.486   2.113  -1.642
  443    HA3  GLY  62           HA3      GLY  62 -15.709   1.716  -3.351
  444    H    SER  63           H        SER  63 -14.753  -1.156  -2.942
  445    HA   SER  63           HA       SER  63 -16.743  -2.274  -1.113
  446    HB2  SER  63           HB2      SER  63 -17.953  -1.593  -3.314
  447    HB3  SER  63           HB3      SER  63 -17.056  -2.947  -4.047
  448    HG   SER  63           HG       SER  63 -19.129  -3.543  -3.223
  449    H    GLU  64           H        GLU  64 -16.874  -4.715  -1.435
  450    HA   GLU  64           HA       GLU  64 -14.336  -5.964  -1.288
  451    HB2  GLU  64           HB2      GLU  64 -16.416  -6.883  -0.332
  452    HB3  GLU  64           HB3      GLU  64 -17.113  -7.020  -1.954
  453    HG2  GLU  64           HG2      GLU  64 -15.402  -8.667  -2.584
  454    HG3  GLU  64           HG3      GLU  64 -14.606  -8.473  -1.008
  455    H    ASP  65           H        ASP  65 -16.484  -5.268  -4.054
  456    HA   ASP  65           HA       ASP  65 -15.246  -7.169  -5.806
  457    HB2  ASP  65           HB2      ASP  65 -17.507  -6.130  -6.116
  458    HB3  ASP  65           HB3      ASP  65 -16.720  -4.579  -6.455
  459    H    ASP  66           H        ASP  66 -14.439  -3.856  -4.792
  460    HA   ASP  66           HA       ASP  66 -12.567  -3.398  -6.973
  461    HB2  ASP  66           HB2      ASP  66 -13.020  -2.037  -4.289
  462    HB3  ASP  66           HB3      ASP  66 -11.947  -1.441  -5.561
  463    H    VAL  67           H        VAL  67 -12.358  -4.606  -3.572
  464    HA   VAL  67           HA       VAL  67  -9.468  -4.563  -3.609
  465    HB   VAL  67           HB       VAL  67 -10.325  -4.538  -1.471
  466   HG11  VAL  67          HG11      VAL  67 -12.125  -6.883  -2.058
  467   HG12  VAL  67          HG12      VAL  67 -11.948  -6.041  -0.504
  468   HG13  VAL  67          HG13      VAL  67 -12.611  -5.163  -1.888
  469   HG21  VAL  67          HG21      VAL  67  -9.574  -6.545  -0.359
  470   HG22  VAL  67          HG22      VAL  67  -9.756  -7.497  -1.847
  471   HG23  VAL  67          HG23      VAL  67  -8.495  -6.245  -1.742
  472    H    LYS  68           H        LYS  68 -11.937  -7.050  -4.439
  473    HA   LYS  68           HA       LYS  68 -10.082  -9.137  -4.945
  474    HB2  LYS  68           HB2      LYS  68 -12.786  -8.396  -6.121
  475    HB3  LYS  68           HB3      LYS  68 -11.912  -9.869  -6.579
  476    HG2  LYS  68           HG2      LYS  68 -11.892 -10.655  -4.276
  477    HG3  LYS  68           HG3      LYS  68 -12.638  -9.151  -3.709
  478    HD2  LYS  68           HD2      LYS  68 -14.649  -9.626  -5.081
  479    HD3  LYS  68           HD3      LYS  68 -13.894 -11.122  -5.680
  480    HE2  LYS  68           HE2      LYS  68 -13.793 -12.002  -3.378
  481    HE3  LYS  68           HE3      LYS  68 -14.513 -10.499  -2.767
  482    HZ1  LYS  68           HZ1      LYS  68 -16.154 -12.222  -3.032
  483    HZ2  LYS  68           HZ2      LYS  68 -16.472 -10.979  -4.056
  484    HZ3  LYS  68           HZ3      LYS  68 -15.811 -12.373  -4.635
  485    H    MET  69           H        MET  69 -11.337  -6.523  -7.095
  486    HA   MET  69           HA       MET  69  -9.925  -7.440  -9.407
  487    HB2  MET  69           HB2      MET  69 -11.221  -4.821  -8.607
  488    HB3  MET  69           HB3      MET  69 -10.365  -5.010 -10.145
  489    HG2  MET  69           HG2      MET  69 -11.781  -7.054 -10.598
  490    HG3  MET  69           HG3      MET  69 -12.743  -6.632  -9.183
  491    HE1  MET  69           HE1      MET  69 -12.519  -3.314  -9.607
  492    HE2  MET  69           HE2      MET  69 -14.137  -3.077 -10.303
  493    HE3  MET  69           HE3      MET  69 -13.914  -4.202  -8.943
  494    H    ALA  70           H        ALA  70  -8.940  -5.371  -6.682
  495    HA   ALA  70           HA       ALA  70  -6.636  -4.276  -8.024
  496    HB1  ALA  70           HB1      ALA  70  -5.975  -3.601  -5.751
  497    HB2  ALA  70           HB2      ALA  70  -7.690  -3.245  -6.042
  498    HB3  ALA  70           HB3      ALA  70  -7.233  -4.658  -5.064
  499    H    LEU  71           H        LEU  71  -7.307  -7.280  -6.278
  500    HA   LEU  71           HA       LEU  71  -4.505  -8.004  -5.972
  501    HB2  LEU  71           HB2      LEU  71  -7.103  -9.538  -5.599
  502    HB3  LEU  71           HB3      LEU  71  -5.498 -10.122  -5.112
  503    HG   LEU  71           HG       LEU  71  -6.708  -7.506  -4.120
  504   HD11  LEU  71          HD11      LEU  71  -8.098  -9.376  -3.381
  505   HD12  LEU  71          HD12      LEU  71  -6.647 -10.235  -2.792
  506   HD13  LEU  71          HD13      LEU  71  -7.165  -8.714  -2.018
  507   HD21  LEU  71          HD21      LEU  71  -5.003  -7.667  -2.388
  508   HD22  LEU  71          HD22      LEU  71  -4.354  -9.141  -3.152
  509   HD23  LEU  71          HD23      LEU  71  -4.287  -7.577  -4.009
  510    H    LYS  72           H        LYS  72  -6.822  -8.193  -8.529
  511    HA   LYS  72           HA       LYS  72  -5.801 -10.551  -9.832
  512    HB2  LYS  72           HB2      LYS  72  -7.150  -8.116 -11.045
  513    HB3  LYS  72           HB3      LYS  72  -6.926  -9.685 -11.832
  514    HG2  LYS  72           HG2      LYS  72  -8.631  -9.101  -9.393
  515    HG3  LYS  72           HG3      LYS  72  -9.204  -9.520 -11.012
  516    HD2  LYS  72           HD2      LYS  72  -8.174 -11.767 -10.798
  517    HD3  LYS  72           HD3      LYS  72  -7.562 -11.331  -9.186
  518    HE2  LYS  72           HE2      LYS  72  -9.569 -12.614  -8.894
  519    HE3  LYS  72           HE3      LYS  72  -9.881 -10.937  -8.412
  520    HZ1  LYS  72           HZ1      LYS  72 -11.651 -11.835  -9.763
  521    HZ2  LYS  72           HZ2      LYS  72 -10.922 -10.592 -10.557
  522    HZ3  LYS  72           HZ3      LYS  72 -10.615 -12.147 -11.001
  523    H    LYS  73           H        LYS  73  -4.256  -7.548  -9.329
  524    HA   LYS  73           HA       LYS  73  -2.330  -8.228 -11.462
  525    HB2  LYS  73           HB2      LYS  73  -2.064  -5.881 -12.064
  526    HB3  LYS  73           HB3      LYS  73  -3.725  -6.392 -12.355
  527    HG2  LYS  73           HG2      LYS  73  -2.976  -5.103  -9.716
  528    HG3  LYS  73           HG3      LYS  73  -3.130  -4.113 -11.171
  529    HD2  LYS  73           HD2      LYS  73  -5.328  -5.968 -10.185
  530    HD3  LYS  73           HD3      LYS  73  -5.215  -4.258  -9.778
  531    HE2  LYS  73           HE2      LYS  73  -5.224  -3.692 -12.211
  532    HE3  LYS  73           HE3      LYS  73  -5.428  -5.413 -12.587
  533    HZ1  LYS  73           HZ1      LYS  73  -7.486  -5.356 -11.335
  534    HZ2  LYS  73           HZ2      LYS  73  -7.302  -3.751 -11.046
  535    HZ3  LYS  73           HZ3      LYS  73  -7.520  -4.284 -12.589
  536    H    ASP  74           H        ASP  74  -2.472  -8.757  -8.670
  537    HA   ASP  74           HA       ASP  74  -1.138  -7.154  -6.922
  538    HB2  ASP  74           HB2      ASP  74  -0.738  -9.116  -5.651
  539    HB3  ASP  74           HB3      ASP  74  -2.279  -9.321  -6.490
  540    H    ARG  75           H        ARG  75   0.487  -8.385  -9.722
  541    HA   ARG  75           HA       ARG  75   2.928  -7.179  -8.706
  542    HB2  ARG  75           HB2      ARG  75   4.353  -9.162  -9.227
  543    HB3  ARG  75           HB3      ARG  75   3.387  -9.232  -7.760
  544    HG2  ARG  75           HG2      ARG  75   1.726 -10.672  -8.888
  545    HG3  ARG  75           HG3      ARG  75   2.702 -10.613 -10.388
  546    HD2  ARG  75           HD2      ARG  75   4.622 -11.535  -9.164
  547    HD3  ARG  75           HD3      ARG  75   3.688 -11.533  -7.663
  548    HE   ARG  75           HE       ARG  75   3.236 -13.321 -10.014
  549   HH11  ARG  75          HH11      ARG  75   2.569 -12.500  -6.637
  550   HH12  ARG  75          HH12      ARG  75   1.869 -14.057  -6.272
  551   HH21  ARG  75          HH21      ARG  75   2.269 -15.328  -9.520
  552   HH22  ARG  75          HH22      ARG  75   1.657 -15.634  -7.911
  553    H    GLU  76           H        GLU  76   0.968  -6.759 -10.923
  554    HA   GLU  76           HA       GLU  76   2.378  -7.375 -13.378
  555    HB2  GLU  76           HB2      GLU  76   0.220  -5.304 -12.874
  556    HB3  GLU  76           HB3      GLU  76   0.761  -5.915 -14.450
  557    HG2  GLU  76           HG2      GLU  76  -0.633  -7.418 -12.259
  558    HG3  GLU  76           HG3      GLU  76  -1.241  -7.072 -13.884
  559    H    SER  77           H        SER  77   2.130  -4.910 -14.700
  560    HA   SER  77           HA       SER  77   4.091  -3.093 -13.424
  561    HB2  SER  77           HB2      SER  77   5.494  -4.663 -14.628
  562    HB3  SER  77           HB3      SER  77   4.453  -4.562 -16.063
  563    HG   SER  77           HG       SER  77   6.338  -3.264 -16.227
  564    H    MET  78           H        MET  78   4.001  -0.973 -14.225
  565    HA   MET  78           HA       MET  78   1.588  -0.159 -15.597
  566    HB2  MET  78           HB2      MET  78   4.174   1.302 -14.909
  567    HB3  MET  78           HB3      MET  78   2.749   2.081 -15.620
  568    HG2  MET  78           HG2      MET  78   1.383   1.428 -13.702
  569    HG3  MET  78           HG3      MET  78   2.760   0.588 -12.977
  570    HE1  MET  78           HE1      MET  78   0.881   2.904 -11.599
  571    HE2  MET  78           HE2      MET  78   2.124   1.933 -10.775
  572    HE3  MET  78           HE3      MET  78   2.144   3.709 -10.643
  573    H    GLY  79           H        GLY  79   4.567  -1.451 -16.649
  574    HA2  GLY  79           HA2      GLY  79   4.377  -1.962 -19.156
  575    HA3  GLY  79           HA3      GLY  79   4.347  -0.193 -19.333
  576    H    HIS  80           H        HIS  80   6.252  -0.324 -16.763
  577    HA   HIS  80           HA       HIS  80   8.723  -1.261 -18.013
  578    HB2  HIS  80           HB2      HIS  80   8.237   1.003 -19.002
  579    HB3  HIS  80           HB3      HIS  80   8.335   1.689 -17.377
  580    HD1  HIS  80           HD1      HIS  80  10.651   2.889 -17.261
  581    HD2  HIS  80           HD2      HIS  80  10.710  -0.809 -19.255
  582    HE1  HIS  80           HE1      HIS  80  13.083   2.444 -17.893
  583    H    ARG  81           H        ARG  81   6.880  -1.005 -15.252
  584    HA   ARG  81           HA       ARG  81   9.283  -1.358 -13.600
  585    HB2  ARG  81           HB2      ARG  81   8.848   1.091 -13.548
  586    HB3  ARG  81           HB3      ARG  81   7.200   0.776 -12.976
  587    HG2  ARG  81           HG2      ARG  81   8.620   1.363 -11.083
  588    HG3  ARG  81           HG3      ARG  81   8.136  -0.333 -10.946
  589    HD2  ARG  81           HD2      ARG  81  10.361  -0.942 -12.043
  590    HD3  ARG  81           HD3      ARG  81  10.812   0.763 -11.902
  591    HE   ARG  81           HE       ARG  81  10.042  -0.898  -9.527
  592   HH11  ARG  81          HH11      ARG  81  12.345   1.274 -11.124
  593   HH12  ARG  81          HH12      ARG  81  13.384   1.365  -9.722
  594   HH21  ARG  81          HH21      ARG  81  11.418  -0.784  -7.767
  595   HH22  ARG  81          HH22      ARG  81  12.849   0.228  -7.813
  596    H    TYR  82           H        TYR  82   9.015  -2.624 -11.883
  597    HA   TYR  82           HA       TYR  82   6.761  -4.388 -11.714
  598    HB2  TYR  82           HB2      TYR  82   9.126  -4.962 -11.408
  599    HB3  TYR  82           HB3      TYR  82   9.246  -3.851 -10.062
  600    HD1  TYR  82           HD1      TYR  82   6.199  -5.942  -9.866
  601    HD2  TYR  82           HD2      TYR  82  10.439  -5.736  -9.112
  602    HE1  TYR  82           HE1      TYR  82   6.019  -7.826  -8.256
  603    HE2  TYR  82           HE2      TYR  82  10.259  -7.588  -7.492
  604    HH   TYR  82           HH       TYR  82   7.118  -9.177  -6.768
  605    H    ILE  83           H        ILE  83   4.897  -3.936 -10.828
  606    HA   ILE  83           HA       ILE  83   4.801  -2.148  -8.449
  607    HB   ILE  83           HB       ILE  83   2.464  -2.934 -10.209
  608   HG12  ILE  83          HG12      ILE  83   4.043  -1.893 -11.731
  609   HG13  ILE  83          HG13      ILE  83   2.634  -0.874 -11.462
  610   HG21  ILE  83          HG21      ILE  83   1.842  -1.988  -8.059
  611   HG22  ILE  83          HG22      ILE  83   2.970  -0.638  -8.277
  612   HG23  ILE  83          HG23      ILE  83   1.529  -0.778  -9.310
  613   HD11  ILE  83          HD11      ILE  83   4.748   0.420 -11.512
  614   HD12  ILE  83          HD12      ILE  83   3.901   0.572  -9.962
  615   HD13  ILE  83          HD13      ILE  83   5.331  -0.488 -10.101
  616    H    GLU  84           H        GLU  84   3.202  -2.877  -6.762
  617    HA   GLU  84           HA       GLU  84   2.293  -5.669  -7.049
  618    HB2  GLU  84           HB2      GLU  84   4.388  -4.693  -5.135
  619    HB3  GLU  84           HB3      GLU  84   3.184  -5.870  -4.544
  620    HG2  GLU  84           HG2      GLU  84   3.725  -7.287  -6.577
  621    HG3  GLU  84           HG3      GLU  84   5.094  -6.209  -6.876
  622    H    VAL  85           H        VAL  85   0.737  -6.313  -5.515
  623    HA   VAL  85           HA       VAL  85  -0.547  -4.202  -3.879
  624    HB   VAL  85           HB       VAL  85  -2.203  -6.036  -5.635
  625   HG11  VAL  85          HG11      VAL  85  -2.752  -3.317  -4.388
  626   HG12  VAL  85          HG12      VAL  85  -3.910  -4.312  -5.293
  627   HG13  VAL  85          HG13      VAL  85  -3.287  -4.886  -3.734
  628   HG21  VAL  85          HG21      VAL  85  -1.237  -3.264  -6.400
  629   HG22  VAL  85          HG22      VAL  85  -0.841  -4.794  -7.234
  630   HG23  VAL  85          HG23      VAL  85  -2.505  -4.194  -7.242
  631    H    PHE  86           H        PHE  86  -1.714  -5.157  -2.107
  632    HA   PHE  86           HA       PHE  86  -1.808  -8.105  -1.936
  633    HB2  PHE  86           HB2      PHE  86   0.457  -7.331  -1.160
  634    HB3  PHE  86           HB3      PHE  86  -0.327  -6.432   0.126
  635    HD1  PHE  86           HD1      PHE  86  -1.657  -7.763   1.849
  636    HD2  PHE  86           HD2      PHE  86   1.057  -9.651  -0.905
  637    HE1  PHE  86           HE1      PHE  86  -1.510  -9.736   3.335
  638    HE2  PHE  86           HE2      PHE  86   1.219 -11.582   0.559
  639    HZ   PHE  86           HZ       PHE  86  -0.067 -11.663   2.696
  640    H    LYS  87           H        LYS  87  -3.264  -8.797  -0.179
  641    HA   LYS  87           HA       LYS  87  -5.509  -7.011  -0.080
  642    HB2  LYS  87           HB2      LYS  87  -5.560  -9.505  -0.283
  643    HB3  LYS  87           HB3      LYS  87  -5.039  -9.626   1.407
  644    HG2  LYS  87           HG2      LYS  87  -7.055  -8.354   2.084
  645    HG3  LYS  87           HG3      LYS  87  -7.550  -8.232   0.385
  646    HD2  LYS  87           HD2      LYS  87  -7.092 -10.857   1.858
  647    HD3  LYS  87           HD3      LYS  87  -8.686 -10.081   1.690
  648    HE2  LYS  87           HE2      LYS  87  -8.465 -10.188  -0.780
  649    HE3  LYS  87           HE3      LYS  87  -6.896 -10.998  -0.600
  650    HZ1  LYS  87           HZ1      LYS  87  -9.479 -12.033   0.362
  651    HZ2  LYS  87           HZ2      LYS  87  -8.659 -12.569  -0.958
  652    HZ3  LYS  87           HZ3      LYS  87  -8.023 -12.783   0.543
  653    H    SER  88           H        SER  88  -6.522  -6.071   1.725
  654    HA   SER  88           HA       SER  88  -5.002  -5.979   4.266
  655    HB2  SER  88           HB2      SER  88  -4.134  -4.140   2.836
  656    HB3  SER  88           HB3      SER  88  -5.773  -3.473   2.734
  657    HG   SER  88           HG       SER  88  -4.477  -2.547   4.417
  658    H    HIS  89           H        HIS  89  -6.337  -4.320   5.761
  659    HA   HIS  89           HA       HIS  89  -9.238  -4.749   5.470
  660    HB2  HIS  89           HB2      HIS  89  -9.307  -5.885   7.719
  661    HB3  HIS  89           HB3      HIS  89  -8.546  -6.837   6.438
  662    HD1  HIS  89           HD1      HIS  89  -7.688  -5.194   9.757
  663    HD2  HIS  89           HD2      HIS  89  -5.869  -7.209   6.549
  664    HE1  HIS  89           HE1      HIS  89  -5.319  -5.799  10.515
  665    H    ARG  90           H        ARG  90  -6.907  -2.653   5.972
  666    HA   ARG  90           HA       ARG  90  -6.983  -0.493   6.562
  667    HB2  ARG  90           HB2      ARG  90  -9.472  -0.817   6.049
  668    HB3  ARG  90           HB3      ARG  90  -9.718  -0.873   7.805
  669    HG2  ARG  90           HG2      ARG  90  -8.670   1.367   8.019
  670    HG3  ARG  90           HG3      ARG  90  -8.373   1.387   6.265
  671    HD2  ARG  90           HD2      ARG  90 -10.825   1.163   5.874
  672    HD3  ARG  90           HD3      ARG  90 -11.096   1.270   7.622
  673    HE   ARG  90           HE       ARG  90 -10.186   3.429   5.795
  674   HH11  ARG  90          HH11      ARG  90 -11.007   2.451   9.100
  675   HH12  ARG  90          HH12      ARG  90 -11.151   4.100   9.664
  676   HH21  ARG  90          HH21      ARG  90 -10.384   5.533   6.551
  677   HH22  ARG  90          HH22      ARG  90 -10.802   5.846   8.223
  678    H    THR  91           H        THR  91  -7.713  -2.886   9.086
  679    HA   THR  91           HA       THR  91  -7.119  -1.101  11.281
  680    HB   THR  91           HB       THR  91  -6.801  -4.124  11.134
  681    HG1  THR  91           HG1      THR  91  -9.050  -2.561  11.864
  682   HG21  THR  91          HG21      THR  91  -5.769  -3.130  13.112
  683   HG22  THR  91          HG22      THR  91  -7.254  -2.212  13.460
  684   HG23  THR  91          HG23      THR  91  -7.254  -3.993  13.571
  685    H    GLU  92           H        GLU  92  -5.193  -3.348   9.257
  686    HA   GLU  92           HA       GLU  92  -2.665  -2.858  10.571
  687    HB2  GLU  92           HB2      GLU  92  -3.219  -4.785   9.026
  688    HB3  GLU  92           HB3      GLU  92  -3.278  -3.618   7.693
  689    HG2  GLU  92           HG2      GLU  92  -1.108  -4.610   7.644
  690    HG3  GLU  92           HG3      GLU  92  -0.889  -2.979   8.281
  691    H    MET  93           H        MET  93  -4.478  -1.264   7.925
  692    HA   MET  93           HA       MET  93  -2.382   0.370   6.987
  693    HB2  MET  93           HB2      MET  93  -4.637   0.063   5.928
  694    HB3  MET  93           HB3      MET  93  -5.337   1.067   7.213
  695    HG2  MET  93           HG2      MET  93  -3.789   2.920   6.544
  696    HG3  MET  93           HG3      MET  93  -3.205   1.903   5.225
  697    HE1  MET  93           HE1      MET  93  -5.888   4.295   6.558
  698    HE2  MET  93           HE2      MET  93  -7.331   3.926   5.587
  699    HE3  MET  93           HE3      MET  93  -6.734   2.746   6.779
  700    H    ASP  94           H        ASP  94  -4.778   0.929   9.614
  701    HA   ASP  94           HA       ASP  94  -3.877   3.556  10.274
  702    HB2  ASP  94           HB2      ASP  94  -6.081   2.442  10.812
  703    HB3  ASP  94           HB3      ASP  94  -5.233   1.510  12.047
  704    H    TRP  95           H        TRP  95  -2.790   0.343  11.151
  705    HA   TRP  95           HA       TRP  95  -1.413   1.083  13.577
  706    HB2  TRP  95           HB2      TRP  95  -2.315  -1.165  13.084
  707    HB3  TRP  95           HB3      TRP  95  -1.179  -1.335  11.755
  708    HD1  TRP  95           HD1      TRP  95  -1.451  -1.694  15.494
  709    HE1  TRP  95           HE1      TRP  95   0.690  -2.705  16.448
  710    HE3  TRP  95           HE3      TRP  95   1.485  -1.414  11.329
  711    HZ2  TRP  95           HZ2      TRP  95   3.383  -3.269  15.527
  712    HZ3  TRP  95           HZ3      TRP  95   3.839  -2.151  11.397
  713    HH2  TRP  95           HH2      TRP  95   4.804  -3.087  13.489
  714    H    VAL  96           H        VAL  96  -0.554   1.315  10.195
  715    HA   VAL  96           HA       VAL  96   2.287   1.793  11.017
  716    HB   VAL  96           HB       VAL  96   2.114  -0.257   9.726
  717   HG11  VAL  96          HG11      VAL  96   1.425  -0.110   7.338
  718   HG12  VAL  96          HG12      VAL  96   0.118  -0.043   8.531
  719   HG13  VAL  96          HG13      VAL  96   0.658   1.457   7.733
  720   HG21  VAL  96          HG21      VAL  96   3.250   1.962   7.997
  721   HG22  VAL  96          HG22      VAL  96   4.081   1.225   9.386
  722   HG23  VAL  96          HG23      VAL  96   3.686   0.243   7.963
  723    H    LEU  97           H        LEU  97  -0.552   3.165   9.479
  724    HA   LEU  97           HA       LEU  97   0.794   5.185   7.980
  725    HB2  LEU  97           HB2      LEU  97  -1.922   4.517   8.807
  726    HB3  LEU  97           HB3      LEU  97  -1.644   6.247   8.976
  727    HG   LEU  97           HG       LEU  97  -2.585   5.657   6.793
  728   HD11  LEU  97          HD11      LEU  97  -1.140   7.650   7.014
  729   HD12  LEU  97          HD12      LEU  97   0.282   6.669   6.596
  730   HD13  LEU  97          HD13      LEU  97  -1.006   6.917   5.401
  731   HD21  LEU  97          HD21      LEU  97  -1.307   4.456   5.119
  732   HD22  LEU  97          HD22      LEU  97   0.035   4.208   6.255
  733   HD23  LEU  97          HD23      LEU  97  -1.535   3.423   6.537
  734    H    LYS  98           H        LYS  98   0.747   4.669  11.356
  735    HA   LYS  98           HA       LYS  98   0.680   7.348  12.315
  736    HB2  LYS  98           HB2      LYS  98   2.113   4.910  13.410
  737    HB3  LYS  98           HB3      LYS  98   1.789   6.404  14.303
  738    HG2  LYS  98           HG2      LYS  98  -0.260   4.447  13.196
  739    HG3  LYS  98           HG3      LYS  98   0.143   4.733  14.891
  740    HD2  LYS  98           HD2      LYS  98  -1.199   6.716  13.011
  741    HD3  LYS  98           HD3      LYS  98  -1.967   5.822  14.331
  742    HE2  LYS  98           HE2      LYS  98  -0.464   6.933  15.962
  743    HE3  LYS  98           HE3      LYS  98   0.285   7.853  14.640
  744    HZ1  LYS  98           HZ1      LYS  98  -1.858   8.835  14.193
  745    HZ2  LYS  98           HZ2      LYS  98  -2.554   7.981  15.416
  746    HZ3  LYS  98           HZ3      LYS  98  -1.416   9.117  15.752
  747    H    HIS  99           H        HIS  99   2.952   5.759  10.413
  748    HA   HIS  99           HA       HIS  99   4.555   7.533   9.425
  749    HB2  HIS  99           HB2      HIS  99   5.484   7.246  12.292
  750    HB3  HIS  99           HB3      HIS  99   6.645   7.498  11.003
  751    HD1  HIS  99           HD1      HIS  99   5.764   9.668  13.367
  752    HD2  HIS  99           HD2      HIS  99   4.853   9.640   9.264
  753    HE1  HIS  99           HE1      HIS  99   5.258  12.085  12.715
  754    H    SER 100           H        SER 100   4.989   4.702  11.565
  755    HA   SER 100           HA       SER 100   5.712   3.005   9.365
  756    HB2  SER 100           HB2      SER 100   8.029   2.520  10.043
  757    HB3  SER 100           HB3      SER 100   7.858   4.242   9.641
  758    HG   SER 100           HG       SER 100   7.721   4.701  11.844
  759    H    GLY 101           H        GLY 101   4.779   3.636  12.510
  760    HA2  GLY 101           HA2      GLY 101   3.676   1.146  13.028
  761    HA3  GLY 101           HA3      GLY 101   5.281   1.107  13.783
  762    HA   PRO 102           HA       PRO 102   1.950   2.929  16.665
  763    HB2  PRO 102           HB2      PRO 102   3.601   1.068  18.380
  764    HB3  PRO 102           HB3      PRO 102   1.855   1.467  18.518
  765    HG2  PRO 102           HG2      PRO 102   2.610  -0.842  17.332
  766    HG3  PRO 102           HG3      PRO 102   1.340   0.176  16.569
  767    HD2  PRO 102           HD2      PRO 102   4.270  -0.025  15.846
  768    HD3  PRO 102           HD3      PRO 102   2.840   0.048  14.769
  769    H5'    A   1           H5'        A   1  14.018  -0.855   4.726
  770   H5''    A   1          H5''        A   1  13.706   0.818   4.202
  771    H4'    A   1           H4'        A   1  15.082  -1.203   2.408
  772    H3'    A   1           H3'        A   1  16.151  -0.011   4.816
  773    H2'    A   1           H2'        A   1  16.164   2.053   3.571
  774   HO2'    A   1          HO2'        A   1  18.670   0.740   3.115
  775    H1'    A   1           H1'        A   1  16.829   0.290   1.265
  776    H8     A   1           H8         A   1  18.673   2.103   0.610
  777    H61    A   1           H61        A   1  15.720   7.153  -1.530
  778    H62    A   1           H62        A   1  17.281   6.362  -1.424
  779    H2     A   1           H2         A   1  12.813   4.579   0.632
  780   HO5'    A   1          HO5'        A   1  11.922  -0.549   3.778
  781    H5'    G   2           H5'        G   2  17.561  -4.097   1.182
  782   H5''    G   2          H5''        G   2  17.633  -2.320   1.049
  783    H4'    G   2           H4'        G   2  14.926  -3.265   0.580
  784    H3'    G   2           H3'        G   2  17.127  -4.385  -1.182
  785    H2'    G   2           H2'        G   2  15.761  -3.934  -2.984
  786   HO2'    G   2          HO2'        G   2  14.112  -5.433  -2.242
  787    H1'    G   2           H1'        G   2  13.981  -2.286  -1.303
  788    H8     G   2           H8         G   2  17.197  -1.437  -3.359
  789    H1     G   2           H1         G   2  11.611   0.809  -5.601
  790    H21    G   2           H21        G   2   9.957   0.122  -4.326
  791    H22    G   2           H22        G   2  10.220  -0.941  -2.960
  792    H5'    G   3           H5'        G   3  13.009  -6.815  -0.956
  793   H5''    G   3          H5''        G   3  13.581  -8.486  -1.063
  794    H4'    G   3           H4'        G   3  11.606  -8.356  -2.402
  795    H3'    G   3           H3'        G   3  14.186  -8.556  -3.911
  796    H2'    G   3           H2'        G   3  13.334  -7.551  -5.740
  797   HO2'    G   3          HO2'        G   3  12.442  -9.666  -6.213
  798    H1'    G   3           H1'        G   3  10.569  -7.393  -4.561
  799    H8     G   3           H8         G   3  13.567  -5.383  -5.997
  800    H1     G   3           H1         G   3   7.739  -3.121  -7.468
  801    H21    G   3           H21        G   3   6.205  -4.219  -6.313
  802    H22    G   3           H22        G   3   6.632  -5.524  -5.226
  803    H5'    G   4           H5'        G   4  11.207 -12.037  -1.193
  804   H5''    G   4          H5''        G   4  10.722 -10.507  -1.949
  805    H4'    G   4           H4'        G   4  11.475 -10.808   1.004
  806    H3'    G   4           H3'        G   4   9.284 -11.957  -0.001
  807    H2'    G   4           H2'        G   4   8.756 -10.121  -1.488
  808   HO2'    G   4          HO2'        G   4   6.843 -10.698  -0.277
  809    H1'    G   4           H1'        G   4   8.950  -8.357   0.932
  810    H8     G   4           H8         G   4   7.801  -8.384  -2.365
  811    H1     G   4           H1         G   4  11.172  -2.993  -1.436
  812    H21    G   4           H21        G   4  12.370  -3.180   0.439
  813    H22    G   4           H22        G   4  12.358  -4.644   1.398
  814    H5'    A   5           H5'        A   5   6.085 -11.041   1.882
  815   H5''    A   5          H5''        A   5   5.713 -12.352   3.017
  816    H4'    A   5           H4'        A   5   3.959 -12.294   1.391
  817    H3'    A   5           H3'        A   5   5.284 -14.648   1.861
  818    H2'    A   5           H2'        A   5   6.912 -14.300   0.124
  819   HO2'    A   5          HO2'        A   5   4.750 -15.752  -1.032
  820    H1'    A   5           H1'        A   5   4.648 -13.517  -1.720
  821    H8     A   5           H8         A   5   8.351 -13.275  -0.872
  822    H61    A   5           H61        A   5   9.099 -11.062  -6.611
  823    H62    A   5           H62        A   5   9.932 -11.711  -5.213
  824    H2     A   5           H2         A   5   4.759 -11.134  -5.721
  825    H5'    U   6           H5'        U   6   0.420 -13.367   0.486
  826   H5''    U   6          H5''        U   6  -0.687 -14.677   0.103
  827    H4'    U   6           H4'        U   6   0.180 -15.012  -2.040
  828    H3'    U   6           H3'        U   6   2.676 -13.583  -1.109
  829   HO3'    U   6          HO3'        U   6   2.643 -15.906  -0.898
  830    H2'    U   6           H2'        U   6   3.157 -13.216  -3.413
  831   HO2'    U   6          HO2'        U   6   2.391 -15.373  -4.089
  832    H1'    U   6           H1'        U   6   0.576 -12.544  -4.021
  833    H3     U   6           H3         U   6   1.085  -8.137  -3.521
  834    H5     U   6           H5         U   6   4.522  -9.804  -1.758
  835    H6     U   6           H6         U   6   3.510 -11.952  -1.951
  Start of MODEL    3
    1    H    MET   1           H        MET   1  -7.383  -8.188  10.021
    2    HA   MET   1           HA       MET   1  -5.171  -8.372  10.864
    3    HB2  MET   1           HB2      MET   1  -6.477 -10.076  13.021
    4    HB3  MET   1           HB3      MET   1  -4.733  -9.878  12.770
    5    HG2  MET   1           HG2      MET   1  -6.731  -7.706  13.499
    6    HG3  MET   1           HG3      MET   1  -5.503  -8.401  14.555
    7    HE1  MET   1           HE1      MET   1  -2.926  -8.581  12.678
    8    HE2  MET   1           HE2      MET   1  -2.160  -7.030  13.086
    9    HE3  MET   1           HE3      MET   1  -2.937  -7.998  14.361
   10    H    MET   2           H        MET   2  -4.307  -9.532   9.269
   11    HA   MET   2           HA       MET   2  -4.923 -12.394   9.046
   12    HB2  MET   2           HB2      MET   2  -6.658 -11.187   7.693
   13    HB3  MET   2           HB3      MET   2  -5.364 -10.472   6.718
   14    HG2  MET   2           HG2      MET   2  -6.412 -12.449   5.653
   15    HG3  MET   2           HG3      MET   2  -4.689 -12.665   5.927
   16    HE1  MET   2           HE1      MET   2  -6.551 -15.047   5.143
   17    HE2  MET   2           HE2      MET   2  -4.813 -15.209   5.491
   18    HE3  MET   2           HE3      MET   2  -5.981 -16.306   6.262
   19    H    LEU   3           H        LEU   3  -3.470 -13.354   7.234
   20    HA   LEU   3           HA       LEU   3  -0.867 -11.908   7.151
   21    HB2  LEU   3           HB2      LEU   3  -1.369 -14.808   7.928
   22    HB3  LEU   3           HB3      LEU   3   0.229 -14.096   7.669
   23    HG   LEU   3           HG       LEU   3  -1.753 -13.160   9.787
   24   HD11  LEU   3          HD11      LEU   3   0.772 -14.851  10.014
   25   HD12  LEU   3          HD12      LEU   3  -0.220 -14.264  11.369
   26   HD13  LEU   3          HD13      LEU   3  -0.895 -15.439  10.221
   27   HD21  LEU   3          HD21      LEU   3   1.185 -12.495   9.295
   28   HD22  LEU   3          HD22      LEU   3  -0.184 -11.383   9.067
   29   HD23  LEU   3          HD23      LEU   3   0.224 -11.961  10.694
   30    H    GLY   4           H        GLY   4  -3.222 -12.770   5.200
   31    HA2  GLY   4           HA2      GLY   4  -1.543 -13.052   2.904
   32    HA3  GLY   4           HA3      GLY   4  -2.249 -14.618   3.327
   33    HA   PRO   5           HA       PRO   5  -5.295 -11.905   0.923
   34    HB2  PRO   5           HB2      PRO   5  -5.142 -13.006  -1.567
   35    HB3  PRO   5           HB3      PRO   5  -3.971 -11.770  -0.998
   36    HG2  PRO   5           HG2      PRO   5  -3.640 -14.786  -0.983
   37    HG3  PRO   5           HG3      PRO   5  -2.498 -13.553  -1.623
   38    HD2  PRO   5           HD2      PRO   5  -2.240 -14.614   0.886
   39    HD3  PRO   5           HD3      PRO   5  -1.856 -12.898   0.551
   40    H    GLU   6           H        GLU   6  -4.867 -15.092   1.922
   41    HA   GLU   6           HA       GLU   6  -7.101 -16.388   0.662
   42    HB2  GLU   6           HB2      GLU   6  -5.621 -16.974   3.260
   43    HB3  GLU   6           HB3      GLU   6  -6.752 -18.077   2.456
   44    HG2  GLU   6           HG2      GLU   6  -4.148 -17.028   1.264
   45    HG3  GLU   6           HG3      GLU   6  -4.404 -18.640   1.946
   46    H    GLY   7           H        GLY   7  -7.129 -13.795   2.776
   47    HA2  GLY   7           HA2      GLY   7  -9.939 -14.000   3.280
   48    HA3  GLY   7           HA3      GLY   7  -9.023 -14.395   4.745
   49    H    GLY   8           H        GLY   8 -10.533 -12.252   5.065
   50    HA2  GLY   8           HA2      GLY   8  -8.752 -10.129   5.650
   51    HA3  GLY   8           HA3      GLY   8  -9.577  -9.750   4.130
   52    H    GLU   9           H        GLU   9 -10.161  -7.965   5.890
   53    HA   GLU   9           HA       GLU   9 -12.880  -8.622   6.856
   54    HB2  GLU   9           HB2      GLU   9 -10.671  -7.424   8.577
   55    HB3  GLU   9           HB3      GLU   9 -12.383  -7.497   9.021
   56    HG2  GLU   9           HG2      GLU   9 -12.310  -9.976   8.843
   57    HG3  GLU   9           HG3      GLU   9 -10.573  -9.884   8.487
   58    H    GLY  10           H        GLY  10 -11.293  -6.813   4.770
   59    HA2  GLY  10           HA2      GLY  10 -13.186  -4.617   4.980
   60    HA3  GLY  10           HA3      GLY  10 -11.518  -4.133   5.282
   61    H    PHE  11           H        PHE  11 -13.065  -3.147   3.184
   62    HA   PHE  11           HA       PHE  11 -12.151  -4.436   0.705
   63    HB2  PHE  11           HB2      PHE  11 -13.755  -1.892   1.092
   64    HB3  PHE  11           HB3      PHE  11 -13.577  -2.815  -0.394
   65    HD1  PHE  11           HD1      PHE  11 -13.895  -5.602   1.025
   66    HD2  PHE  11           HD2      PHE  11 -16.155  -1.945   1.141
   67    HE1  PHE  11           HE1      PHE  11 -15.934  -6.879   1.601
   68    HE2  PHE  11           HE2      PHE  11 -18.193  -3.225   1.732
   69    HZ   PHE  11           HZ       PHE  11 -18.086  -5.695   1.964
   70    H    VAL  12           H        VAL  12  -9.950  -3.819   2.000
   71    HA   VAL  12           HA       VAL  12  -8.938  -1.345   0.673
   72    HB   VAL  12           HB       VAL  12  -8.436  -2.242   3.546
   73   HG11  VAL  12          HG11      VAL  12  -7.292   0.115   1.989
   74   HG12  VAL  12          HG12      VAL  12  -7.127  -0.144   3.741
   75   HG13  VAL  12          HG13      VAL  12  -6.383  -1.283   2.614
   76   HG21  VAL  12          HG21      VAL  12  -9.400   0.029   4.047
   77   HG22  VAL  12          HG22      VAL  12  -9.883   0.152   2.344
   78   HG23  VAL  12          HG23      VAL  12 -10.574  -1.123   3.373
   79    H    VAL  13           H        VAL  13  -6.711  -1.419   0.144
   80    HA   VAL  13           HA       VAL  13  -5.359  -4.040   0.541
   81    HB   VAL  13           HB       VAL  13  -4.574  -4.003  -1.796
   82   HG11  VAL  13          HG11      VAL  13  -6.635  -4.828  -2.808
   83   HG12  VAL  13          HG12      VAL  13  -6.526  -5.371  -1.123
   84   HG13  VAL  13          HG13      VAL  13  -7.606  -4.026  -1.557
   85   HG21  VAL  13          HG21      VAL  13  -5.726  -2.616  -3.471
   86   HG22  VAL  13          HG22      VAL  13  -6.633  -1.789  -2.185
   87   HG23  VAL  13          HG23      VAL  13  -4.867  -1.606  -2.291
   88    H    LYS  14           H        LYS  14  -3.103  -3.997   0.285
   89    HA   LYS  14           HA       LYS  14  -1.836  -1.430   0.986
   90    HB2  LYS  14           HB2      LYS  14  -0.433  -4.079   0.575
   91    HB3  LYS  14           HB3      LYS  14   0.022  -2.733   1.631
   92    HG2  LYS  14           HG2      LYS  14  -2.054  -3.255   3.015
   93    HG3  LYS  14           HG3      LYS  14  -2.273  -4.702   2.009
   94    HD2  LYS  14           HD2      LYS  14   0.091  -5.391   2.632
   95    HD3  LYS  14           HD3      LYS  14   0.092  -4.052   3.806
   96    HE2  LYS  14           HE2      LYS  14  -1.978  -5.046   4.839
   97    HE3  LYS  14           HE3      LYS  14  -1.846  -6.399   3.703
   98    HZ1  LYS  14           HZ1      LYS  14   0.141  -5.627   5.728
   99    HZ2  LYS  14           HZ2      LYS  14  -0.857  -6.929   5.808
  100    HZ3  LYS  14           HZ3      LYS  14   0.324  -6.873   4.657
  101    H    LEU  15           H        LEU  15   0.166  -0.795  -0.195
  102    HA   LEU  15           HA       LEU  15   0.408  -1.820  -2.963
  103    HB2  LEU  15           HB2      LEU  15  -1.072   0.350  -2.503
  104    HB3  LEU  15           HB3      LEU  15   0.493   1.130  -2.320
  105    HG   LEU  15           HG       LEU  15  -0.292   1.484  -4.513
  106   HD11  LEU  15          HD11      LEU  15   1.723  -0.767  -4.805
  107   HD12  LEU  15          HD12      LEU  15   1.428   0.564  -5.934
  108   HD13  LEU  15          HD13      LEU  15   2.146   0.904  -4.342
  109   HD21  LEU  15          HD21      LEU  15  -0.911  -0.327  -6.068
  110   HD22  LEU  15          HD22      LEU  15  -0.612  -1.526  -4.789
  111   HD23  LEU  15          HD23      LEU  15  -1.928  -0.350  -4.608
  112    H    ARG  16           H        ARG  16   2.591  -1.922  -3.547
  113    HA   ARG  16           HA       ARG  16   4.580  -0.456  -1.905
  114    HB2  ARG  16           HB2      ARG  16   4.714  -3.465  -2.340
  115    HB3  ARG  16           HB3      ARG  16   5.898  -2.457  -1.492
  116    HG2  ARG  16           HG2      ARG  16   4.070  -1.857   0.168
  117    HG3  ARG  16           HG3      ARG  16   3.051  -3.083  -0.618
  118    HD2  ARG  16           HD2      ARG  16   5.720  -3.500   0.777
  119    HD3  ARG  16           HD3      ARG  16   4.134  -4.100   1.300
  120    HE   ARG  16           HE       ARG  16   4.377  -5.234  -1.165
  121   HH11  ARG  16          HH11      ARG  16   6.505  -5.176   1.668
  122   HH12  ARG  16          HH12      ARG  16   7.298  -6.672   1.218
  123   HH21  ARG  16          HH21      ARG  16   5.519  -7.124  -1.753
  124   HH22  ARG  16          HH22      ARG  16   6.755  -7.744  -0.680
  125    H    GLY  17           H        GLY  17   6.785  -0.624  -2.883
  126    HA2  GLY  17           HA2      GLY  17   8.149  -1.252  -4.786
  127    HA3  GLY  17           HA3      GLY  17   6.680  -1.306  -5.781
  128    H    LEU  18           H        LEU  18   7.036   0.180  -7.299
  129    HA   LEU  18           HA       LEU  18   6.946   2.224  -8.256
  130    HB2  LEU  18           HB2      LEU  18   6.851   3.570  -5.550
  131    HB3  LEU  18           HB3      LEU  18   6.162   4.110  -7.079
  132    HG   LEU  18           HG       LEU  18   5.169   1.818  -5.330
  133   HD11  LEU  18          HD11      LEU  18   3.179   3.207  -5.091
  134   HD12  LEU  18          HD12      LEU  18   4.619   4.096  -4.552
  135   HD13  LEU  18          HD13      LEU  18   3.895   4.451  -6.137
  136   HD21  LEU  18          HD21      LEU  18   4.196   2.782  -8.044
  137   HD22  LEU  18          HD22      LEU  18   4.868   1.176  -7.649
  138   HD23  LEU  18          HD23      LEU  18   3.304   1.675  -6.973
  139    HA   PRO  19           HA       PRO  19  11.119   3.859  -8.249
  140    HB2  PRO  19           HB2      PRO  19   9.823   6.546  -8.606
  141    HB3  PRO  19           HB3      PRO  19  11.140   5.796  -9.563
  142    HG2  PRO  19           HG2      PRO  19   8.617   5.886 -10.547
  143    HG3  PRO  19           HG3      PRO  19   9.601   4.393 -10.720
  144    HD2  PRO  19           HD2      PRO  19   7.452   4.992  -8.675
  145    HD3  PRO  19           HD3      PRO  19   7.717   3.501  -9.636
  146    H    TRP  20           H        TRP  20  12.350   5.912  -7.238
  147    HA   TRP  20           HA       TRP  20  12.049   5.860  -4.424
  148    HB2  TRP  20           HB2      TRP  20  13.648   7.294  -6.443
  149    HB3  TRP  20           HB3      TRP  20  13.299   8.280  -5.038
  150    HD1  TRP  20           HD1      TRP  20  15.836   8.373  -4.503
  151    HE1  TRP  20           HE1      TRP  20  17.460   6.810  -3.327
  152    HE3  TRP  20           HE3      TRP  20  13.028   4.078  -4.570
  153    HZ2  TRP  20           HZ2      TRP  20  17.534   4.019  -2.486
  154    HZ3  TRP  20           HZ3      TRP  20  13.882   2.068  -3.398
  155    HH2  TRP  20           HH2      TRP  20  16.119   2.002  -2.460
  156    H    SER  21           H        SER  21  10.044   7.420  -6.705
  157    HA   SER  21           HA       SER  21   8.636   8.807  -4.543
  158    HB2  SER  21           HB2      SER  21   8.558  10.946  -5.767
  159    HB3  SER  21           HB3      SER  21  10.220  10.520  -5.314
  160    HG   SER  21           HG       SER  21  10.054  11.212  -7.494
  161    H    CYS  22           H        CYS  22   6.456   9.496  -5.227
  162    HA   CYS  22           HA       CYS  22   5.449   8.716  -7.835
  163    HB2  CYS  22           HB2      CYS  22   5.739   6.535  -6.512
  164    HB3  CYS  22           HB3      CYS  22   4.451   7.127  -5.441
  165    HG   CYS  22           HG       CYS  22   4.415   6.752  -8.734
  166    H    SER  23           H        SER  23   2.819   8.725  -7.576
  167    HA   SER  23           HA       SER  23   1.954  10.680  -5.543
  168    HB2  SER  23           HB2      SER  23   0.988  12.187  -7.180
  169    HB3  SER  23           HB3      SER  23   2.728  12.027  -7.490
  170    HG   SER  23           HG       SER  23   1.507  11.839  -9.406
  171    H    VAL  24           H        VAL  24  -0.475  11.073  -5.750
  172    HA   VAL  24           HA       VAL  24  -1.688   8.510  -5.541
  173    HB   VAL  24           HB       VAL  24  -3.349   9.555  -4.490
  174   HG11  VAL  24          HG11      VAL  24  -1.620  12.039  -4.798
  175   HG12  VAL  24          HG12      VAL  24  -2.808  11.713  -3.522
  176   HG13  VAL  24          HG13      VAL  24  -1.334  10.727  -3.620
  177   HG21  VAL  24          HG21      VAL  24  -4.478  11.619  -5.168
  178   HG22  VAL  24          HG22      VAL  24  -3.405  11.734  -6.589
  179   HG23  VAL  24          HG23      VAL  24  -4.532  10.357  -6.400
  180    H    GLU  25           H        GLU  25  -1.155  10.493  -8.307
  181    HA   GLU  25           HA       GLU  25  -3.573   9.627  -9.717
  182    HB2  GLU  25           HB2      GLU  25  -1.091  11.117 -10.659
  183    HB3  GLU  25           HB3      GLU  25  -2.582  10.863 -11.587
  184    HG2  GLU  25           HG2      GLU  25  -3.854  12.067  -9.787
  185    HG3  GLU  25           HG3      GLU  25  -2.321  12.397  -8.963
  186    H    ASP  26           H        ASP  26  -0.189   8.582  -9.406
  187    HA   ASP  26           HA       ASP  26  -0.352   6.881 -11.789
  188    HB2  ASP  26           HB2      ASP  26   1.643   7.066  -9.501
  189    HB3  ASP  26           HB3      ASP  26   1.827   6.013 -10.913
  190    H    VAL  27           H        VAL  27  -0.779   6.525  -8.236
  191    HA   VAL  27           HA       VAL  27  -0.925   3.655  -8.382
  192    HB   VAL  27           HB       VAL  27  -0.370   4.859  -6.331
  193   HG11  VAL  27          HG11      VAL  27  -3.289   5.713  -6.249
  194   HG12  VAL  27          HG12      VAL  27  -2.047   6.010  -5.011
  195   HG13  VAL  27          HG13      VAL  27  -1.903   6.773  -6.609
  196   HG21  VAL  27          HG21      VAL  27  -2.956   3.279  -6.051
  197   HG22  VAL  27          HG22      VAL  27  -1.335   2.568  -6.242
  198   HG23  VAL  27          HG23      VAL  27  -1.720   3.535  -4.799
  199    H    GLN  28           H        GLN  28  -3.466   6.256  -8.518
  200    HA   GLN  28           HA       GLN  28  -5.582   4.307  -8.641
  201    HB2  GLN  28           HB2      GLN  28  -7.002   6.165  -9.290
  202    HB3  GLN  28           HB3      GLN  28  -5.958   6.627  -7.935
  203    HG2  GLN  28           HG2      GLN  28  -4.429   7.731  -9.561
  204    HG3  GLN  28           HG3      GLN  28  -5.555   7.353 -10.871
  205   HE21  GLN  28          HE21      GLN  28  -5.161   9.145  -7.815
  206   HE22  GLN  28          HE22      GLN  28  -6.428  10.318  -8.117
  207    H    ASN  29           H        ASN  29  -3.361   5.650 -11.034
  208    HA   ASN  29           HA       ASN  29  -4.847   4.798 -13.354
  209    HB2  ASN  29           HB2      ASN  29  -3.237   6.182 -14.128
  210    HB3  ASN  29           HB3      ASN  29  -2.256   5.977 -12.675
  211   HD21  ASN  29          HD21      ASN  29  -0.751   4.244 -12.511
  212   HD22  ASN  29          HD22      ASN  29  -0.119   3.475 -13.949
  213    H    PHE  30           H        PHE  30  -2.823   3.126 -10.990
  214    HA   PHE  30           HA       PHE  30  -2.274   0.898 -12.826
  215    HB2  PHE  30           HB2      PHE  30  -0.517   1.631 -11.390
  216    HB3  PHE  30           HB3      PHE  30  -1.543   1.549  -9.963
  217    HD1  PHE  30           HD1      PHE  30   0.226  -0.497 -12.522
  218    HD2  PHE  30           HD2      PHE  30  -1.869  -0.484  -8.771
  219    HE1  PHE  30           HE1      PHE  30   0.920  -2.842 -12.120
  220    HE2  PHE  30           HE2      PHE  30  -1.244  -2.836  -8.394
  221    HZ   PHE  30           HZ       PHE  30   0.183  -4.024 -10.063
  222    H    LEU  31           H        LEU  31  -4.351   1.514  -9.941
  223    HA   LEU  31           HA       LEU  31  -5.270  -1.268  -9.979
  224    HB2  LEU  31           HB2      LEU  31  -6.188   1.146  -8.373
  225    HB3  LEU  31           HB3      LEU  31  -6.915  -0.454  -8.270
  226    HG   LEU  31           HG       LEU  31  -5.506  -0.455  -6.457
  227   HD11  LEU  31          HD11      LEU  31  -3.766  -1.674  -8.627
  228   HD12  LEU  31          HD12      LEU  31  -3.714  -2.026  -6.888
  229   HD13  LEU  31          HD13      LEU  31  -5.149  -2.470  -7.836
  230   HD21  LEU  31          HD21      LEU  31  -3.217   0.369  -6.437
  231   HD22  LEU  31          HD22      LEU  31  -3.339   0.789  -8.161
  232   HD23  LEU  31          HD23      LEU  31  -4.357   1.625  -6.968
  233    H    SER  32           H        SER  32  -5.702  -0.987 -12.350
  234    HA   SER  32           HA       SER  32  -7.779   0.509 -13.430
  235    HB2  SER  32           HB2      SER  32  -7.828  -1.264 -15.163
  236    HB3  SER  32           HB3      SER  32  -6.172  -0.772 -14.748
  237    HG   SER  32           HG       SER  32  -6.429  -3.054 -14.831
  238    H    ASP  33           H        ASP  33  -9.877   0.066 -13.961
  239    HA   ASP  33           HA       ASP  33 -12.026  -0.341 -13.536
  240    HB2  ASP  33           HB2      ASP  33 -11.030  -3.140 -12.938
  241    HB3  ASP  33           HB3      ASP  33 -12.707  -2.685 -13.277
  242    H    CYS  34           H        CYS  34  -9.924  -0.292 -10.920
  243    HA   CYS  34           HA       CYS  34 -11.971  -0.956  -8.905
  244    HB2  CYS  34           HB2      CYS  34  -9.100   0.012  -8.633
  245    HB3  CYS  34           HB3      CYS  34 -10.139  -0.565  -7.316
  246    HG   CYS  34           HG       CYS  34  -9.277  -2.203 -10.052
  247    H    THR  35           H        THR  35 -11.705   0.706  -6.934
  248    HA   THR  35           HA       THR  35 -11.902   3.520  -7.866
  249    HB   THR  35           HB       THR  35 -13.898   1.993  -6.133
  250    HG1  THR  35           HG1      THR  35 -14.188   1.698  -8.345
  251   HG21  THR  35          HG21      THR  35 -13.640   4.235  -5.247
  252   HG22  THR  35          HG22      THR  35 -13.744   4.939  -6.881
  253   HG23  THR  35          HG23      THR  35 -15.164   4.150  -6.146
  254    H    ILE  36           H        ILE  36 -11.421   5.021  -6.092
  255    HA   ILE  36           HA       ILE  36  -9.761   3.692  -4.017
  256    HB   ILE  36           HB       ILE  36  -9.318   6.415  -5.301
  257   HG12  ILE  36          HG12      ILE  36  -7.128   5.016  -5.946
  258   HG13  ILE  36          HG13      ILE  36  -8.237   3.644  -5.823
  259   HG21  ILE  36          HG21      ILE  36  -8.399   6.442  -3.059
  260   HG22  ILE  36          HG22      ILE  36  -7.763   4.794  -3.248
  261   HG23  ILE  36          HG23      ILE  36  -7.062   6.150  -4.168
  262   HD11  ILE  36          HD11      ILE  36  -9.717   4.753  -7.515
  263   HD12  ILE  36          HD12      ILE  36  -8.582   6.122  -7.569
  264   HD13  ILE  36          HD13      ILE  36  -8.068   4.516  -8.128
  265    H    HIS  37           H        HIS  37 -12.414   3.867  -3.607
  266    HA   HIS  37           HA       HIS  37 -13.990   4.428  -2.113
  267    HB2  HIS  37           HB2      HIS  37 -12.045   3.935  -0.646
  268    HB3  HIS  37           HB3      HIS  37 -11.759   5.672  -0.525
  269    HD1  HIS  37           HD1      HIS  37 -14.074   2.940   0.746
  270    HD2  HIS  37           HD2      HIS  37 -13.651   7.113   0.837
  271    HE1  HIS  37           HE1      HIS  37 -15.634   3.785   2.589
  272    H    ASP  38           H        ASP  38 -11.991   7.116  -3.151
  273    HA   ASP  38           HA       ASP  38 -14.357   8.768  -3.610
  274    HB2  ASP  38           HB2      ASP  38 -12.164   9.553  -1.639
  275    HB3  ASP  38           HB3      ASP  38 -13.160  10.734  -2.497
  276    H    GLY  39           H        GLY  39 -10.920   8.026  -3.920
  277    HA2  GLY  39           HA2      GLY  39  -9.426   8.516  -5.595
  278    HA3  GLY  39           HA3      GLY  39 -10.675   9.420  -6.468
  279    H    ALA  40           H        ALA  40  -7.757   9.868  -5.335
  280    HA   ALA  40           HA       ALA  40  -6.519  11.438  -4.337
  281    HB1  ALA  40           HB1      ALA  40  -7.030  13.758  -4.950
  282    HB2  ALA  40           HB2      ALA  40  -7.320  12.659  -6.321
  283    HB3  ALA  40           HB3      ALA  40  -8.692  13.283  -5.370
  284    H    ALA  41           H        ALA  41  -9.100  10.399  -2.867
  285    HA   ALA  41           HA       ALA  41  -8.669  12.024  -0.448
  286    HB1  ALA  41           HB1      ALA  41 -10.584  13.077  -1.501
  287    HB2  ALA  41           HB2      ALA  41 -11.368  11.504  -1.726
  288    HB3  ALA  41           HB3      ALA  41 -11.138  12.152  -0.085
  289    H    GLY  42           H        GLY  42  -8.197   9.186  -1.643
  290    HA2  GLY  42           HA2      GLY  42  -8.904   7.792   0.877
  291    HA3  GLY  42           HA3      GLY  42  -9.373   7.060  -0.671
  292    H    VAL  43           H        VAL  43  -6.517   8.793  -1.168
  293    HA   VAL  43           HA       VAL  43  -4.930   6.365  -1.299
  294    HB   VAL  43           HB       VAL  43  -4.826   8.524  -2.829
  295   HG11  VAL  43          HG11      VAL  43  -4.481  10.099  -0.928
  296   HG12  VAL  43          HG12      VAL  43  -2.906   9.330  -0.607
  297   HG13  VAL  43          HG13      VAL  43  -3.187  10.164  -2.140
  298   HG21  VAL  43          HG21      VAL  43  -3.380   6.544  -3.045
  299   HG22  VAL  43          HG22      VAL  43  -2.473   8.041  -3.325
  300   HG23  VAL  43          HG23      VAL  43  -2.297   7.181  -1.784
  301    H    HIS  44           H        HIS  44  -2.863   6.081  -0.160
  302    HA   HIS  44           HA       HIS  44  -2.259   7.826   2.130
  303    HB2  HIS  44           HB2      HIS  44  -2.998   4.893   2.373
  304    HB3  HIS  44           HB3      HIS  44  -1.948   5.701   3.538
  305    HD1  HIS  44           HD1      HIS  44  -3.174   7.938   4.795
  306    HD2  HIS  44           HD2      HIS  44  -5.546   5.065   2.864
  307    HE1  HIS  44           HE1      HIS  44  -5.534   8.217   5.715
  308    H    PHE  45           H        PHE  45  -0.087   7.350   2.974
  309    HA   PHE  45           HA       PHE  45   1.608   5.541   1.373
  310    HB2  PHE  45           HB2      PHE  45   2.068   8.533   1.675
  311    HB3  PHE  45           HB3      PHE  45   3.274   7.386   1.092
  312    HD1  PHE  45           HD1      PHE  45   2.986   6.215  -1.077
  313    HD2  PHE  45           HD2      PHE  45   0.271   9.284   0.231
  314    HE1  PHE  45           HE1      PHE  45   2.107   6.421  -3.387
  315    HE2  PHE  45           HE2      PHE  45  -0.610   9.485  -2.076
  316    HZ   PHE  45           HZ       PHE  45   0.302   8.048  -3.888
  317    H    ILE  46           H        ILE  46   3.897   5.553   2.369
  318    HA   ILE  46           HA       ILE  46   3.768   6.045   5.296
  319    HB   ILE  46           HB       ILE  46   4.811   3.451   4.152
  320   HG12  ILE  46          HG12      ILE  46   2.009   4.115   5.153
  321   HG13  ILE  46          HG13      ILE  46   2.475   3.537   3.540
  322   HG21  ILE  46          HG21      ILE  46   3.876   4.269   6.945
  323   HG22  ILE  46          HG22      ILE  46   4.611   2.717   6.488
  324   HG23  ILE  46          HG23      ILE  46   5.575   4.196   6.420
  325   HD11  ILE  46          HD11      ILE  46   3.420   1.471   4.733
  326   HD12  ILE  46          HD12      ILE  46   2.502   2.029   6.149
  327   HD13  ILE  46          HD13      ILE  46   1.654   1.635   4.630
  328    H    TYR  47           H        TYR  47   5.769   6.485   6.224
  329    HA   TYR  47           HA       TYR  47   8.260   6.331   4.704
  330    HB2  TYR  47           HB2      TYR  47   8.658   8.770   4.855
  331    HB3  TYR  47           HB3      TYR  47   7.378   8.314   3.730
  332    HD1  TYR  47           HD1      TYR  47   8.066   9.841   7.038
  333    HD2  TYR  47           HD2      TYR  47   5.103   8.974   4.046
  334    HE1  TYR  47           HE1      TYR  47   6.477  11.363   8.183
  335    HE2  TYR  47           HE2      TYR  47   3.508  10.506   5.166
  336    HH   TYR  47           HH       TYR  47   3.160  11.937   6.932
  337    H    THR  48           H        THR  48   9.949   7.709   6.140
  338    HA   THR  48           HA       THR  48   9.274   7.559   9.020
  339    HB   THR  48           HB       THR  48  11.520   6.491   9.425
  340    HG1  THR  48           HG1      THR  48  12.426   5.395   7.660
  341   HG21  THR  48          HG21      THR  48  10.770   4.222   8.983
  342   HG22  THR  48          HG22      THR  48   9.401   5.220   9.521
  343   HG23  THR  48          HG23      THR  48   9.581   4.808   7.797
  344    H    ARG  49           H        ARG  49  11.169   8.484  10.318
  345    HA   ARG  49           HA       ARG  49  11.590  11.153   9.488
  346    HB2  ARG  49           HB2      ARG  49  12.952  11.315  11.518
  347    HB3  ARG  49           HB3      ARG  49  11.466  10.398  11.793
  348    HG2  ARG  49           HG2      ARG  49  12.989   9.110  12.931
  349    HG3  ARG  49           HG3      ARG  49  12.950   8.282  11.369
  350    HD2  ARG  49           HD2      ARG  49  15.013   9.565  10.713
  351    HD3  ARG  49           HD3      ARG  49  15.024  10.299  12.325
  352    HE   ARG  49           HE       ARG  49  14.919   7.467  12.595
  353   HH11  ARG  49          HH11      ARG  49  17.147  10.014  11.571
  354   HH12  ARG  49          HH12      ARG  49  18.573   9.094  11.983
  355   HH21  ARG  49          HH21      ARG  49  16.799   6.296  13.139
  356   HH22  ARG  49          HH22      ARG  49  18.377   6.998  12.875
  357    H    GLU  50           H        GLU  50  13.434   8.243   8.841
  358    HA   GLU  50           HA       GLU  50  14.920   9.599   6.793
  359    HB2  GLU  50           HB2      GLU  50  16.261  10.246   8.795
  360    HB3  GLU  50           HB3      GLU  50  16.479   8.529   9.193
  361    HG2  GLU  50           HG2      GLU  50  17.635   8.159   7.061
  362    HG3  GLU  50           HG3      GLU  50  17.244   9.811   6.551
  363    H    GLY  51           H        GLY  51  13.991   7.951   5.433
  364    HA2  GLY  51           HA2      GLY  51  15.679   5.615   5.313
  365    HA3  GLY  51           HA3      GLY  51  14.059   5.198   5.898
  366    H    ARG  52           H        ARG  52  12.271   6.518   4.424
  367    HA   ARG  52           HA       ARG  52  12.953   6.579   1.594
  368    HB2  ARG  52           HB2      ARG  52  11.479   4.723   0.948
  369    HB3  ARG  52           HB3      ARG  52  12.815   4.148   1.957
  370    HG2  ARG  52           HG2      ARG  52  11.314   4.117   3.926
  371    HG3  ARG  52           HG3      ARG  52   9.976   4.707   2.910
  372    HD2  ARG  52           HD2      ARG  52  10.202   2.711   1.467
  373    HD3  ARG  52           HD3      ARG  52  11.524   2.116   2.482
  374    HE   ARG  52           HE       ARG  52   8.652   2.053   3.069
  375   HH11  ARG  52          HH11      ARG  52  11.916   1.847   4.426
  376   HH12  ARG  52          HH12      ARG  52  11.379   1.032   5.876
  377   HH21  ARG  52          HH21      ARG  52   7.993   0.951   4.949
  378   HH22  ARG  52          HH22      ARG  52   9.173   0.521   6.168
  379    H    GLN  53           H        GLN  53  10.807   6.714   0.282
  380    HA   GLN  53           HA       GLN  53   8.548   7.834   1.786
  381    HB2  GLN  53           HB2      GLN  53  10.109   9.747   1.450
  382    HB3  GLN  53           HB3      GLN  53  10.108   9.438  -0.294
  383    HG2  GLN  53           HG2      GLN  53   8.578  11.286   0.346
  384    HG3  GLN  53           HG3      GLN  53   7.713   9.945  -0.422
  385   HE21  GLN  53          HE21      GLN  53   8.635  11.256   2.816
  386   HE22  GLN  53          HE22      GLN  53   7.224  10.631   3.647
  387    H    SER  54           H        SER  54   6.643   7.728   0.649
  388    HA   SER  54           HA       SER  54   5.199   6.623  -0.725
  389    HB2  SER  54           HB2      SER  54   5.060   7.730  -2.913
  390    HB3  SER  54           HB3      SER  54   5.359   8.882  -1.595
  391    HG   SER  54           HG       SER  54   7.343   7.775  -3.297
  392    H    GLY  55           H        GLY  55   7.025   4.707  -0.241
  393    HA2  GLY  55           HA2      GLY  55   7.298   3.356  -2.893
  394    HA3  GLY  55           HA3      GLY  55   8.556   3.258  -1.633
  395    H    GLU  56           H        GLU  56   5.696   3.568  -0.094
  396    HA   GLU  56           HA       GLU  56   4.698   0.828  -0.112
  397    HB2  GLU  56           HB2      GLU  56   6.653   0.698   1.417
  398    HB3  GLU  56           HB3      GLU  56   6.046   2.113   2.309
  399    HG2  GLU  56           HG2      GLU  56   3.982   0.886   2.822
  400    HG3  GLU  56           HG3      GLU  56   4.599  -0.546   1.977
  401    H    ALA  57           H        ALA  57   2.498   0.916   0.575
  402    HA   ALA  57           HA       ALA  57   1.372   3.383   1.652
  403    HB1  ALA  57           HB1      ALA  57   1.911   4.219  -0.541
  404    HB2  ALA  57           HB2      ALA  57   1.343   2.736  -1.321
  405    HB3  ALA  57           HB3      ALA  57   0.175   3.840  -0.584
  406    H    PHE  58           H        PHE  58  -1.081   3.408   1.057
  407    HA   PHE  58           HA       PHE  58  -2.241   0.679   0.789
  408    HB2  PHE  58           HB2      PHE  58  -3.106   2.793   2.794
  409    HB3  PHE  58           HB3      PHE  58  -3.961   1.301   2.466
  410    HD1  PHE  58           HD1      PHE  58  -2.927  -0.917   3.114
  411    HD2  PHE  58           HD2      PHE  58  -1.255   2.872   4.253
  412    HE1  PHE  58           HE1      PHE  58  -1.669  -2.024   4.953
  413    HE2  PHE  58           HE2      PHE  58  -0.039   1.787   6.097
  414    HZ   PHE  58           HZ       PHE  58  -0.234  -0.671   6.466
  415    H    VAL  59           H        VAL  59  -4.527   0.787   0.136
  416    HA   VAL  59           HA       VAL  59  -5.404   3.333  -1.093
  417    HB   VAL  59           HB       VAL  59  -5.192   0.699  -2.617
  418   HG11  VAL  59          HG11      VAL  59  -5.941   2.032  -4.540
  419   HG12  VAL  59          HG12      VAL  59  -7.145   2.110  -3.238
  420   HG13  VAL  59          HG13      VAL  59  -6.044   3.481  -3.519
  421   HG21  VAL  59          HG21      VAL  59  -3.627   3.291  -2.949
  422   HG22  VAL  59          HG22      VAL  59  -2.971   1.728  -2.405
  423   HG23  VAL  59          HG23      VAL  59  -3.581   1.902  -4.060
  424    H    GLU  60           H        GLU  60  -7.244   3.536   0.176
  425    HA   GLU  60           HA       GLU  60  -8.914   1.269   0.828
  426    HB2  GLU  60           HB2      GLU  60  -9.505   4.262   0.779
  427    HB3  GLU  60           HB3      GLU  60 -10.597   3.015   1.409
  428    HG2  GLU  60           HG2      GLU  60  -8.730   2.299   2.972
  429    HG3  GLU  60           HG3      GLU  60  -7.859   3.766   2.488
  430    H    LEU  61           H        LEU  61 -11.016   0.779  -0.055
  431    HA   LEU  61           HA       LEU  61 -11.420   1.796  -2.831
  432    HB2  LEU  61           HB2      LEU  61 -11.970  -1.043  -2.010
  433    HB3  LEU  61           HB3      LEU  61 -11.863  -0.385  -3.633
  434    HG   LEU  61           HG       LEU  61  -9.441  -0.492  -1.779
  435   HD11  LEU  61          HD11      LEU  61 -10.370  -2.747  -2.149
  436   HD12  LEU  61          HD12      LEU  61 -10.289  -2.464  -3.907
  437   HD13  LEU  61          HD13      LEU  61  -8.794  -2.518  -2.949
  438   HD21  LEU  61          HD21      LEU  61  -9.749  -0.292  -4.811
  439   HD22  LEU  61          HD22      LEU  61  -9.274   1.046  -3.734
  440   HD23  LEU  61          HD23      LEU  61  -8.208  -0.359  -3.923
  441    H    GLY  62           H        GLY  62 -13.715   0.550  -3.517
  442    HA2  GLY  62           HA2      GLY  62 -15.606   1.874  -1.649
  443    HA3  GLY  62           HA3      GLY  62 -15.827   1.576  -3.381
  444    H    SER  63           H        SER  63 -14.844  -1.345  -2.997
  445    HA   SER  63           HA       SER  63 -16.921  -2.486  -1.282
  446    HB2  SER  63           HB2      SER  63 -18.042  -1.776  -3.513
  447    HB3  SER  63           HB3      SER  63 -17.108  -3.108  -4.236
  448    HG   SER  63           HG       SER  63 -19.209  -3.739  -3.509
  449    H    GLU  64           H        GLU  64 -17.038  -4.910  -1.614
  450    HA   GLU  64           HA       GLU  64 -14.522  -6.184  -1.379
  451    HB2  GLU  64           HB2      GLU  64 -16.639  -7.087  -0.507
  452    HB3  GLU  64           HB3      GLU  64 -17.296  -7.185  -2.145
  453    HG2  GLU  64           HG2      GLU  64 -15.592  -8.859  -2.752
  454    HG3  GLU  64           HG3      GLU  64 -14.868  -8.726  -1.135
  455    H    ASP  65           H        ASP  65 -16.516  -5.407  -4.231
  456    HA   ASP  65           HA       ASP  65 -15.217  -7.318  -5.941
  457    HB2  ASP  65           HB2      ASP  65 -17.467  -6.296  -6.339
  458    HB3  ASP  65           HB3      ASP  65 -16.684  -4.735  -6.629
  459    H    ASP  66           H        ASP  66 -14.485  -3.992  -4.902
  460    HA   ASP  66           HA       ASP  66 -12.526  -3.497  -6.991
  461    HB2  ASP  66           HB2      ASP  66 -13.070  -2.189  -4.298
  462    HB3  ASP  66           HB3      ASP  66 -11.959  -1.570  -5.525
  463    H    VAL  67           H        VAL  67 -12.438  -4.766  -3.610
  464    HA   VAL  67           HA       VAL  67  -9.551  -4.682  -3.503
  465    HB   VAL  67           HB       VAL  67 -10.571  -4.708  -1.415
  466   HG11  VAL  67          HG11      VAL  67 -12.162  -6.316  -0.583
  467   HG12  VAL  67          HG12      VAL  67 -12.778  -5.472  -2.011
  468   HG13  VAL  67          HG13      VAL  67 -12.174  -7.154  -2.153
  469   HG21  VAL  67          HG21      VAL  67  -9.788  -7.616  -1.805
  470   HG22  VAL  67          HG22      VAL  67  -8.622  -6.290  -1.588
  471   HG23  VAL  67          HG23      VAL  67  -9.775  -6.687  -0.292
  472    H    LYS  68           H        LYS  68 -11.930  -7.172  -4.538
  473    HA   LYS  68           HA       LYS  68  -9.984  -9.203  -4.986
  474    HB2  LYS  68           HB2      LYS  68 -12.680  -8.558  -6.240
  475    HB3  LYS  68           HB3      LYS  68 -11.742 -10.008  -6.647
  476    HG2  LYS  68           HG2      LYS  68 -11.761 -10.749  -4.326
  477    HG3  LYS  68           HG3      LYS  68 -12.579  -9.261  -3.815
  478    HD2  LYS  68           HD2      LYS  68 -14.528  -9.844  -5.240
  479    HD3  LYS  68           HD3      LYS  68 -13.710 -11.341  -5.743
  480    HE2  LYS  68           HE2      LYS  68 -13.640 -12.097  -3.389
  481    HE3  LYS  68           HE3      LYS  68 -14.431 -10.594  -2.881
  482    HZ1  LYS  68           HZ1      LYS  68 -15.995 -12.393  -3.094
  483    HZ2  LYS  68           HZ2      LYS  68 -16.334 -11.218  -4.188
  484    HZ3  LYS  68           HZ3      LYS  68 -15.604 -12.610  -4.679
  485    H    MET  69           H        MET  69 -11.260  -6.596  -7.136
  486    HA   MET  69           HA       MET  69  -9.758  -7.428  -9.425
  487    HB2  MET  69           HB2      MET  69 -11.130  -4.850  -8.612
  488    HB3  MET  69           HB3      MET  69 -10.234  -5.000 -10.129
  489    HG2  MET  69           HG2      MET  69 -11.609  -7.056 -10.654
  490    HG3  MET  69           HG3      MET  69 -12.616  -6.666  -9.258
  491    HE1  MET  69           HE1      MET  69 -12.448  -3.314  -9.634
  492    HE2  MET  69           HE2      MET  69 -14.057  -3.134 -10.365
  493    HE3  MET  69           HE3      MET  69 -13.822  -4.264  -9.012
  494    H    ALA  70           H        ALA  70  -8.887  -5.433  -6.619
  495    HA   ALA  70           HA       ALA  70  -6.571  -4.253  -7.890
  496    HB1  ALA  70           HB1      ALA  70  -6.008  -3.573  -5.585
  497    HB2  ALA  70           HB2      ALA  70  -7.711  -3.226  -5.964
  498    HB3  ALA  70           HB3      ALA  70  -7.297  -4.629  -4.958
  499    H    LEU  71           H        LEU  71  -7.230  -7.267  -6.137
  500    HA   LEU  71           HA       LEU  71  -4.428  -7.920  -5.727
  501    HB2  LEU  71           HB2      LEU  71  -6.998  -9.521  -5.480
  502    HB3  LEU  71           HB3      LEU  71  -5.402 -10.078  -4.941
  503    HG   LEU  71           HG       LEU  71  -6.695  -7.502  -3.957
  504   HD11  LEU  71          HD11      LEU  71  -6.643 -10.247  -2.660
  505   HD12  LEU  71          HD12      LEU  71  -7.242  -8.746  -1.907
  506   HD13  LEU  71          HD13      LEU  71  -8.081  -9.424  -3.324
  507   HD21  LEU  71          HD21      LEU  71  -5.069  -7.679  -2.150
  508   HD22  LEU  71          HD22      LEU  71  -4.362  -9.127  -2.916
  509   HD23  LEU  71          HD23      LEU  71  -4.283  -7.545  -3.738
  510    H    LYS  72           H        LYS  72  -6.617  -8.154  -8.391
  511    HA   LYS  72           HA       LYS  72  -5.506 -10.488  -9.658
  512    HB2  LYS  72           HB2      LYS  72  -6.822  -8.062 -10.923
  513    HB3  LYS  72           HB3      LYS  72  -6.546  -9.624 -11.704
  514    HG2  LYS  72           HG2      LYS  72  -8.382  -9.063  -9.361
  515    HG3  LYS  72           HG3      LYS  72  -8.857  -9.501 -11.004
  516    HD2  LYS  72           HD2      LYS  72  -7.797 -11.729 -10.716
  517    HD3  LYS  72           HD3      LYS  72  -7.287 -11.273  -9.075
  518    HE2  LYS  72           HE2      LYS  72  -9.286 -12.593  -8.895
  519    HE3  LYS  72           HE3      LYS  72  -9.657 -10.919  -8.444
  520    HZ1  LYS  72           HZ1      LYS  72 -10.574 -10.602 -10.644
  521    HZ2  LYS  72           HZ2      LYS  72 -10.214 -12.152 -11.064
  522    HZ3  LYS  72           HZ3      LYS  72 -11.329 -11.855  -9.891
  523    H    LYS  73           H        LYS  73  -3.986  -7.503  -9.057
  524    HA   LYS  73           HA       LYS  73  -2.033  -8.082 -11.207
  525    HB2  LYS  73           HB2      LYS  73  -1.803  -5.705 -11.696
  526    HB3  LYS  73           HB3      LYS  73  -3.466  -6.219 -11.994
  527    HG2  LYS  73           HG2      LYS  73  -2.783  -5.136  -9.267
  528    HG3  LYS  73           HG3      LYS  73  -2.775  -4.014 -10.628
  529    HD2  LYS  73           HD2      LYS  73  -5.127  -5.836 -10.001
  530    HD3  LYS  73           HD3      LYS  73  -4.963  -4.190  -9.375
  531    HE2  LYS  73           HE2      LYS  73  -4.793  -3.328 -11.709
  532    HE3  LYS  73           HE3      LYS  73  -5.008  -4.976 -12.321
  533    HZ1  LYS  73           HZ1      LYS  73  -7.062  -3.768 -12.329
  534    HZ2  LYS  73           HZ2      LYS  73  -7.164  -5.017 -11.255
  535    HZ3  LYS  73           HZ3      LYS  73  -6.968  -3.479 -10.713
  536    H    ASP  74           H        ASP  74  -2.190  -8.719  -8.425
  537    HA   ASP  74           HA       ASP  74  -0.898  -7.191  -6.590
  538    HB2  ASP  74           HB2      ASP  74  -0.431  -9.230  -5.433
  539    HB3  ASP  74           HB3      ASP  74  -1.985  -9.384  -6.264
  540    H    ARG  75           H        ARG  75   0.815  -8.266  -9.442
  541    HA   ARG  75           HA       ARG  75   3.228  -7.142  -8.224
  542    HB2  ARG  75           HB2      ARG  75   3.089  -9.676  -7.788
  543    HB3  ARG  75           HB3      ARG  75   3.378  -9.858  -9.534
  544    HG2  ARG  75           HG2      ARG  75   5.510  -8.577  -9.268
  545    HG3  ARG  75           HG3      ARG  75   5.185  -8.449  -7.517
  546    HD2  ARG  75           HD2      ARG  75   5.194 -10.862  -7.291
  547    HD3  ARG  75           HD3      ARG  75   5.248 -11.056  -9.056
  548    HE   ARG  75           HE       ARG  75   7.517  -9.573  -8.443
  549   HH11  ARG  75          HH11      ARG  75   6.240 -12.707  -7.418
  550   HH12  ARG  75          HH12      ARG  75   7.821 -13.383  -7.119
  551   HH21  ARG  75          HH21      ARG  75   9.567 -10.482  -8.045
  552   HH22  ARG  75          HH22      ARG  75   9.700 -12.126  -7.471
  553    H    GLU  76           H        GLU  76   1.255  -6.528 -10.501
  554    HA   GLU  76           HA       GLU  76   2.692  -6.939 -12.964
  555    HB2  GLU  76           HB2      GLU  76   0.512  -4.942 -12.284
  556    HB3  GLU  76           HB3      GLU  76   1.110  -5.311 -13.914
  557    HG2  GLU  76           HG2      GLU  76  -0.287  -7.158 -12.001
  558    HG3  GLU  76           HG3      GLU  76  -0.883  -6.580 -13.560
  559    H    SER  77           H        SER  77   2.560  -4.420 -14.166
  560    HA   SER  77           HA       SER  77   4.644  -2.817 -12.790
  561    HB2  SER  77           HB2      SER  77   6.109  -2.946 -14.766
  562    HB3  SER  77           HB3      SER  77   5.841  -4.554 -14.063
  563    HG   SER  77           HG       SER  77   5.594  -4.542 -16.342
  564    H    MET  78           H        MET  78   5.328  -0.959 -14.416
  565    HA   MET  78           HA       MET  78   2.819   0.181 -15.586
  566    HB2  MET  78           HB2      MET  78   5.110   1.499 -14.087
  567    HB3  MET  78           HB3      MET  78   3.945   2.407 -15.062
  568    HG2  MET  78           HG2      MET  78   2.093   1.588 -13.696
  569    HG3  MET  78           HG3      MET  78   3.211   0.624 -12.718
  570    HE1  MET  78           HE1      MET  78   1.902   1.853 -10.666
  571    HE2  MET  78           HE2      MET  78   1.965   3.606 -10.367
  572    HE3  MET  78           HE3      MET  78   1.024   2.977 -11.734
  573    H    GLY  79           H        GLY  79   6.054  -0.854 -16.243
  574    HA2  GLY  79           HA2      GLY  79   6.255  -1.055 -18.778
  575    HA3  GLY  79           HA3      GLY  79   6.053   0.702 -18.790
  576    H    HIS  80           H        HIS  80   7.681   0.769 -16.144
  577    HA   HIS  80           HA       HIS  80  10.375   0.141 -17.210
  578    HB2  HIS  80           HB2      HIS  80   9.519   2.879 -16.200
  579    HB3  HIS  80           HB3      HIS  80  11.162   2.409 -16.643
  580    HD1  HIS  80           HD1      HIS  80   8.064   3.820 -18.167
  581    HD2  HIS  80           HD2      HIS  80  11.493   1.706 -19.368
  582    HE1  HIS  80           HE1      HIS  80   8.242   4.101 -20.696
  583    H    ARG  81           H        ARG  81   8.168   0.018 -14.697
  584    HA   ARG  81           HA       ARG  81  10.204  -0.913 -12.837
  585    HB2  ARG  81           HB2      ARG  81   9.903   1.673 -12.546
  586    HB3  ARG  81           HB3      ARG  81   8.302   1.270 -11.906
  587    HG2  ARG  81           HG2      ARG  81   9.820   1.469 -10.031
  588    HG3  ARG  81           HG3      ARG  81   9.468  -0.253 -10.244
  589    HD2  ARG  81           HD2      ARG  81  11.616  -0.330 -11.697
  590    HD3  ARG  81           HD3      ARG  81  11.967   1.275 -11.036
  591    HE   ARG  81           HE       ARG  81  11.366  -0.680  -8.970
  592   HH11  ARG  81          HH11      ARG  81  13.882   0.579 -11.117
  593   HH12  ARG  81          HH12      ARG  81  15.195   0.003 -10.118
  594   HH21  ARG  81          HH21      ARG  81  13.117  -1.483  -7.719
  595   HH22  ARG  81          HH22      ARG  81  14.767  -1.130  -8.190
  596    H    TYR  82           H        TYR  82   9.000  -1.877 -10.816
  597    HA   TYR  82           HA       TYR  82   6.375  -2.830 -11.810
  598    HB2  TYR  82           HB2      TYR  82   6.766  -4.945 -11.488
  599    HB3  TYR  82           HB3      TYR  82   8.378  -4.426 -11.913
  600    HD1  TYR  82           HD1      TYR  82  10.136  -4.204  -9.960
  601    HD2  TYR  82           HD2      TYR  82   6.237  -6.010  -9.482
  602    HE1  TYR  82           HE1      TYR  82  10.977  -5.544  -8.086
  603    HE2  TYR  82           HE2      TYR  82   7.077  -7.292  -7.537
  604    HH   TYR  82           HH       TYR  82  10.519  -7.146  -6.526
  605    H    ILE  83           H        ILE  83   4.971  -3.846 -10.163
  606    HA   ILE  83           HA       ILE  83   4.805  -1.938  -7.885
  607    HB   ILE  83           HB       ILE  83   2.451  -2.769  -9.589
  608   HG12  ILE  83          HG12      ILE  83   4.011  -1.682 -11.145
  609   HG13  ILE  83          HG13      ILE  83   2.549  -0.744 -10.888
  610   HG21  ILE  83          HG21      ILE  83   1.868  -1.819  -7.438
  611   HG22  ILE  83          HG22      ILE  83   2.977  -0.453  -7.689
  612   HG23  ILE  83          HG23      ILE  83   1.514  -0.614  -8.687
  613   HD11  ILE  83          HD11      ILE  83   5.155  -0.153  -9.440
  614   HD12  ILE  83          HD12      ILE  83   4.670   0.610 -10.960
  615   HD13  ILE  83          HD13      ILE  83   3.685   0.848  -9.503
  616    H    GLU  84           H        GLU  84   3.105  -2.738  -6.278
  617    HA   GLU  84           HA       GLU  84   2.562  -5.634  -6.436
  618    HB2  GLU  84           HB2      GLU  84   4.501  -4.294  -4.585
  619    HB3  GLU  84           HB3      GLU  84   3.419  -5.525  -3.887
  620    HG2  GLU  84           HG2      GLU  84   4.133  -7.088  -5.739
  621    HG3  GLU  84           HG3      GLU  84   5.359  -5.888  -6.196
  622    H    VAL  85           H        VAL  85   0.903  -6.325  -5.054
  623    HA   VAL  85           HA       VAL  85  -0.528  -4.256  -3.486
  624    HB   VAL  85           HB       VAL  85  -2.044  -6.132  -5.322
  625   HG11  VAL  85          HG11      VAL  85  -3.815  -4.446  -5.042
  626   HG12  VAL  85          HG12      VAL  85  -3.262  -5.047  -3.469
  627   HG13  VAL  85          HG13      VAL  85  -2.729  -3.452  -4.052
  628   HG21  VAL  85          HG21      VAL  85  -1.117  -3.324  -6.008
  629   HG22  VAL  85          HG22      VAL  85  -0.650  -4.832  -6.843
  630   HG23  VAL  85          HG23      VAL  85  -2.329  -4.266  -6.912
  631    H    PHE  86           H        PHE  86  -1.729  -5.177  -1.768
  632    HA   PHE  86           HA       PHE  86  -1.802  -8.118  -1.471
  633    HB2  PHE  86           HB2      PHE  86   0.416  -7.209  -0.617
  634    HB3  PHE  86           HB3      PHE  86  -0.483  -6.329   0.603
  635    HD1  PHE  86           HD1      PHE  86  -1.790  -7.659   2.314
  636    HD2  PHE  86           HD2      PHE  86   1.044  -9.523  -0.334
  637    HE1  PHE  86           HE1      PHE  86  -1.630  -9.602   3.841
  638    HE2  PHE  86           HE2      PHE  86   1.193 -11.437   1.149
  639    HZ   PHE  86           HZ       PHE  86  -0.123 -11.503   3.271
  640    H    LYS  87           H        LYS  87  -3.290  -8.690   0.398
  641    HA   LYS  87           HA       LYS  87  -5.498  -6.787   0.283
  642    HB2  LYS  87           HB2      LYS  87  -5.627  -9.280  -0.062
  643    HB3  LYS  87           HB3      LYS  87  -5.391  -9.482   1.686
  644    HG2  LYS  87           HG2      LYS  87  -7.411  -8.180   2.119
  645    HG3  LYS  87           HG3      LYS  87  -7.550  -7.772   0.392
  646    HD2  LYS  87           HD2      LYS  87  -7.871 -10.162  -0.158
  647    HD3  LYS  87           HD3      LYS  87  -7.729 -10.583   1.559
  648    HE2  LYS  87           HE2      LYS  87  -9.713  -9.191   2.068
  649    HE3  LYS  87           HE3      LYS  87  -9.843  -8.744   0.356
  650    HZ1  LYS  87           HZ1      LYS  87 -11.326 -10.538   0.917
  651    HZ2  LYS  87           HZ2      LYS  87 -10.199 -11.054  -0.165
  652    HZ3  LYS  87           HZ3      LYS  87 -10.076 -11.480   1.420
  653    H    SER  88           H        SER  88  -6.652  -5.979   2.119
  654    HA   SER  88           HA       SER  88  -5.102  -5.849   4.650
  655    HB2  SER  88           HB2      SER  88  -4.344  -4.000   3.168
  656    HB3  SER  88           HB3      SER  88  -6.012  -3.390   3.118
  657    HG   SER  88           HG       SER  88  -4.684  -2.397   4.742
  658    H    HIS  89           H        HIS  89  -6.431  -4.170   6.147
  659    HA   HIS  89           HA       HIS  89  -9.317  -4.708   6.026
  660    HB2  HIS  89           HB2      HIS  89  -9.172  -5.849   8.313
  661    HB3  HIS  89           HB3      HIS  89  -8.614  -6.797   6.927
  662    HD1  HIS  89           HD1      HIS  89  -7.123  -4.829   9.902
  663    HD2  HIS  89           HD2      HIS  89  -6.131  -7.644   6.945
  664    HE1  HIS  89           HE1      HIS  89  -4.748  -5.630  10.419
  665    H    ARG  90           H        ARG  90  -7.133  -2.475   6.417
  666    HA   ARG  90           HA       ARG  90  -7.285  -0.347   7.132
  667    HB2  ARG  90           HB2      ARG  90  -9.915  -1.186   8.399
  668    HB3  ARG  90           HB3      ARG  90  -9.226   0.434   8.512
  669    HG2  ARG  90           HG2      ARG  90  -9.132   0.585   6.055
  670    HG3  ARG  90           HG3      ARG  90  -9.939  -1.001   5.933
  671    HD2  ARG  90           HD2      ARG  90 -11.907  -0.133   7.072
  672    HD3  ARG  90           HD3      ARG  90 -11.072   1.385   7.445
  673    HE   ARG  90           HE       ARG  90 -11.145   2.017   5.133
  674   HH11  ARG  90          HH11      ARG  90 -13.054  -0.880   5.863
  675   HH12  ARG  90          HH12      ARG  90 -14.028  -0.726   4.423
  676   HH21  ARG  90          HH21      ARG  90 -12.410   2.176   3.293
  677   HH22  ARG  90          HH22      ARG  90 -13.656   0.994   2.954
  678    H    THR  91           H        THR  91  -7.707  -2.861   9.657
  679    HA   THR  91           HA       THR  91  -7.004  -1.184  11.860
  680    HB   THR  91           HB       THR  91  -6.402  -4.146  11.489
  681    HG1  THR  91           HG1      THR  91  -8.694  -2.850  12.541
  682   HG21  THR  91          HG21      THR  91  -5.262  -3.158  13.414
  683   HG22  THR  91          HG22      THR  91  -6.785  -2.421  13.967
  684   HG23  THR  91          HG23      THR  91  -6.601  -4.191  13.961
  685    H    GLU  92           H        GLU  92  -5.027  -3.078   9.547
  686    HA   GLU  92           HA       GLU  92  -2.494  -2.414  10.786
  687    HB2  GLU  92           HB2      GLU  92  -2.919  -4.354   9.251
  688    HB3  GLU  92           HB3      GLU  92  -3.147  -3.200   7.913
  689    HG2  GLU  92           HG2      GLU  92  -0.850  -2.353   8.264
  690    HG3  GLU  92           HG3      GLU  92  -0.642  -3.434   9.650
  691    H    MET  93           H        MET  93  -4.525  -0.992   8.223
  692    HA   MET  93           HA       MET  93  -2.610   0.848   7.223
  693    HB2  MET  93           HB2      MET  93  -4.724   0.187   6.090
  694    HB3  MET  93           HB3      MET  93  -5.642   1.042   7.346
  695    HG2  MET  93           HG2      MET  93  -4.468   3.158   6.712
  696    HG3  MET  93           HG3      MET  93  -3.662   2.283   5.408
  697    HE1  MET  93           HE1      MET  93  -6.908   3.833   6.809
  698    HE2  MET  93           HE2      MET  93  -8.170   3.279   5.684
  699    HE3  MET  93           HE3      MET  93  -7.389   2.122   6.783
  700    H    ASP  94           H        ASP  94  -5.017   1.104   9.878
  701    HA   ASP  94           HA       ASP  94  -4.630   3.905  10.329
  702    HB2  ASP  94           HB2      ASP  94  -6.568   2.429  11.029
  703    HB3  ASP  94           HB3      ASP  94  -5.515   1.767  12.279
  704    H    TRP  95           H        TRP  95  -2.917   1.022  11.351
  705    HA   TRP  95           HA       TRP  95  -1.643   2.254  13.659
  706    HB2  TRP  95           HB2      TRP  95  -2.128  -0.144  13.553
  707    HB3  TRP  95           HB3      TRP  95  -1.107  -0.321  12.136
  708    HD1  TRP  95           HD1      TRP  95  -0.745   0.694  15.851
  709    HE1  TRP  95           HE1      TRP  95   1.560  -0.001  16.695
  710    HE3  TRP  95           HE3      TRP  95   1.175  -1.151  11.489
  711    HZ2  TRP  95           HZ2      TRP  95   3.975  -1.171  15.596
  712    HZ3  TRP  95           HZ3      TRP  95   3.480  -2.027  11.409
  713    HH2  TRP  95           HH2      TRP  95   4.892  -2.048  13.451
  714    H    VAL  96           H        VAL  96  -0.256   0.963  10.557
  715    HA   VAL  96           HA       VAL  96   2.335   2.014  11.200
  716    HB   VAL  96           HB       VAL  96   1.964   0.009   9.830
  717   HG11  VAL  96          HG11      VAL  96  -0.013   0.621   8.648
  718   HG12  VAL  96          HG12      VAL  96   0.827   1.976   7.849
  719   HG13  VAL  96          HG13      VAL  96   1.282   0.290   7.477
  720   HG21  VAL  96          HG21      VAL  96   3.625   0.460   8.111
  721   HG22  VAL  96          HG22      VAL  96   3.376   2.210   8.283
  722   HG23  VAL  96          HG23      VAL  96   4.085   1.277   9.621
  723    H    LEU  97           H        LEU  97  -0.453   3.502   9.657
  724    HA   LEU  97           HA       LEU  97   0.929   5.522   8.198
  725    HB2  LEU  97           HB2      LEU  97  -1.803   4.934   9.112
  726    HB3  LEU  97           HB3      LEU  97  -1.451   6.651   9.191
  727    HG   LEU  97           HG       LEU  97  -2.500   6.040   7.074
  728   HD11  LEU  97          HD11      LEU  97   0.398   6.903   6.727
  729   HD12  LEU  97          HD12      LEU  97  -0.932   7.193   5.589
  730   HD13  LEU  97          HD13      LEU  97  -0.951   7.962   7.191
  731   HD21  LEU  97          HD21      LEU  97  -1.604   3.757   6.775
  732   HD22  LEU  97          HD22      LEU  97  -1.335   4.773   5.358
  733   HD23  LEU  97          HD23      LEU  97   0.014   4.437   6.471
  734    H    LYS  98           H        LYS  98   0.821   4.978  11.590
  735    HA   LYS  98           HA       LYS  98   1.780   7.735  12.116
  736    HB2  LYS  98           HB2      LYS  98  -0.414   6.274  13.631
  737    HB3  LYS  98           HB3      LYS  98   0.372   7.779  14.143
  738    HG2  LYS  98           HG2      LYS  98  -0.343   8.816  11.947
  739    HG3  LYS  98           HG3      LYS  98  -1.308   7.349  11.642
  740    HD2  LYS  98           HD2      LYS  98  -2.514   7.722  13.778
  741    HD3  LYS  98           HD3      LYS  98  -1.551   9.196  14.045
  742    HE2  LYS  98           HE2      LYS  98  -2.443  10.160  11.948
  743    HE3  LYS  98           HE3      LYS  98  -3.399   8.690  11.671
  744    HZ1  LYS  98           HZ1      LYS  98  -4.577   9.151  13.709
  745    HZ2  LYS  98           HZ2      LYS  98  -3.688  10.511  13.966
  746    HZ3  LYS  98           HZ3      LYS  98  -4.705  10.426  12.677
  747    H    HIS  99           H        HIS  99   2.674   4.610  12.147
  748    HA   HIS  99           HA       HIS  99   4.259   4.936  14.628
  749    HB2  HIS  99           HB2      HIS  99   2.559   2.502  13.975
  750    HB3  HIS  99           HB3      HIS  99   3.742   2.595  15.284
  751    HD1  HIS  99           HD1      HIS  99   0.221   3.744  14.426
  752    HD2  HIS  99           HD2      HIS  99   3.125   4.133  17.435
  753    HE1  HIS  99           HE1      HIS  99  -0.967   4.741  16.460
  754    H    SER 100           H        SER 100   4.488   4.623  11.418
  755    HA   SER 100           HA       SER 100   6.185   2.378  11.010
  756    HB2  SER 100           HB2      SER 100   5.137   3.749   9.212
  757    HB3  SER 100           HB3      SER 100   6.236   5.084   9.623
  758    HG   SER 100           HG       SER 100   7.061   3.807   7.926
  759    H    GLY 101           H        GLY 101   8.515   2.349  10.676
  760    HA2  GLY 101           HA2      GLY 101  10.254   4.384  11.608
  761    HA3  GLY 101           HA3      GLY 101   9.946   3.253  12.935
  762    HA   PRO 102           HA       PRO 102  12.091   3.411  13.582
  763    HB2  PRO 102           HB2      PRO 102  14.790   3.723  13.366
  764    HB3  PRO 102           HB3      PRO 102  14.035   2.179  13.880
  765    HG2  PRO 102           HG2      PRO 102  14.994   2.949  11.109
  766    HG3  PRO 102           HG3      PRO 102  15.342   1.441  12.024
  767    HD2  PRO 102           HD2      PRO 102  13.351   1.576  10.155
  768    HD3  PRO 102           HD3      PRO 102  13.166   0.607  11.650
  769    H5'    A   1           H5'        A   1  15.636   2.816   3.614
  770   H5''    A   1          H5''        A   1  14.503   2.950   2.251
  771    H4'    A   1           H4'        A   1  15.650   0.277   3.171
  772    H3'    A   1           H3'        A   1  17.410   2.060   2.274
  773    H2'    A   1           H2'        A   1  15.887   3.048   0.705
  774   HO2'    A   1          HO2'        A   1  17.667   1.261  -0.614
  775    H1'    A   1           H1'        A   1  15.432   0.348  -0.506
  776    H8     A   1           H8         A   1  12.898  -0.135  -1.088
  777    H61    A   1           H61        A   1  10.284   5.278  -2.661
  778    H62    A   1           H62        A   1  10.082   3.537  -2.697
  779    H2     A   1           H2         A   1  14.168   6.095  -0.700
  780   HO5'    A   1          HO5'        A   1  14.162   1.405   4.622
  781    H5'    G   2           H5'        G   2  18.912  -2.015  -0.728
  782   H5''    G   2          H5''        G   2  19.264  -1.144  -2.234
  783    H4'    G   2           H4'        G   2  16.572  -1.017  -0.818
  784    H3'    G   2           H3'        G   2  17.578  -2.700  -3.123
  785    H2'    G   2           H2'        G   2  15.508  -2.400  -4.159
  786   HO2'    G   2          HO2'        G   2  14.311  -3.341  -2.413
  787    H1'    G   2           H1'        G   2  14.893  -0.092  -2.452
  788    H8     G   2           H8         G   2  17.315   0.518  -5.281
  789    H1     G   2           H1         G   2  11.153   1.725  -6.523
  790    H21    G   2           H21        G   2   9.873   0.740  -5.063
  791    H22    G   2           H22        G   2  10.514  -0.323  -3.823
  792    H5'    G   3           H5'        G   3  13.708  -4.826  -1.191
  793   H5''    G   3          H5''        G   3  14.328  -6.490  -1.172
  794    H4'    G   3           H4'        G   3  12.116  -6.572  -2.091
  795    H3'    G   3           H3'        G   3  14.425  -7.291  -3.729
  796    H2'    G   3           H2'        G   3  13.771  -5.931  -5.476
  797   HO2'    G   3          HO2'        G   3  13.157  -8.053  -6.222
  798    H1'    G   3           H1'        G   3  10.917  -6.102  -4.447
  799    H8     G   3           H8         G   3  13.539  -3.948  -6.337
  800    H1     G   3           H1         G   3   7.418  -2.334  -7.294
  801    H21    G   3           H21        G   3   6.106  -3.534  -5.963
  802    H22    G   3           H22        G   3   6.775  -4.778  -4.920
  803    H5'    G   4           H5'        G   4  13.582  -8.128   0.253
  804   H5''    G   4          H5''        G   4  12.997  -9.787   0.474
  805    H4'    G   4           H4'        G   4  12.069  -8.377   2.218
  806    H3'    G   4           H3'        G   4  10.531 -10.079   0.729
  807    H2'    G   4           H2'        G   4   9.863  -8.443  -0.888
  808   HO2'    G   4          HO2'        G   4   7.981  -9.363   0.283
  809    H1'    G   4           H1'        G   4   9.377  -6.528   1.372
  810    H8     G   4           H8         G   4   8.443  -6.907  -1.870
  811    H1     G   4           H1         G   4  11.479  -1.262  -1.564
  812    H21    G   4           H21        G   4  12.721  -1.187   0.340
  813    H22    G   4           H22        G   4  12.779  -2.547   1.433
  814    H5'    A   5           H5'        A   5   6.715  -9.690   2.548
  815   H5''    A   5          H5''        A   5   6.690 -10.974   3.766
  816    H4'    A   5           H4'        A   5   4.820 -11.341   2.327
  817    H3'    A   5           H3'        A   5   6.574 -13.379   2.759
  818    H2'    A   5           H2'        A   5   8.021 -12.855   0.933
  819   HO2'    A   5          HO2'        A   5   7.326 -15.045   0.687
  820    H1'    A   5           H1'        A   5   5.648 -12.520  -0.895
  821    H8     A   5           H8         A   5   9.194 -11.506   0.044
  822    H61    A   5           H61        A   5   9.539  -8.936  -5.578
  823    H62    A   5           H62        A   5  10.468  -9.465  -4.190
  824    H2     A   5           H2         A   5   5.312 -10.055  -4.833
  825    H5'    U   6           H5'        U   6   0.560 -13.851   1.160
  826   H5''    U   6          H5''        U   6   1.775 -15.129   1.198
  827    H4'    U   6           H4'        U   6   1.504 -14.733  -1.090
  828    H3'    U   6           H3'        U   6   3.748 -12.927  -0.183
  829   HO3'    U   6          HO3'        U   6   4.319 -15.067   0.080
  830    H2'    U   6           H2'        U   6   4.126 -12.464  -2.466
  831   HO2'    U   6          HO2'        U   6   3.838 -14.709  -3.178
  832    H1'    U   6           H1'        U   6   1.461 -12.349  -3.115
  833    H3     U   6           H3         U   6   1.313  -7.888  -2.981
  834    H5     U   6           H5         U   6   4.569  -8.870  -0.492
  835    H6     U   6           H6         U   6   4.044 -11.159  -0.797
  Start of MODEL    4
    1    H    MET   1           H        MET   1 -18.466 -21.026  12.066
    2    HA   MET   1           HA       MET   1 -16.357 -20.117  12.676
    3    HB2  MET   1           HB2      MET   1 -16.069 -21.512  14.707
    4    HB3  MET   1           HB3      MET   1 -15.776 -22.931  13.680
    5    HG2  MET   1           HG2      MET   1 -13.810 -21.816  12.691
    6    HG3  MET   1           HG3      MET   1 -14.144 -20.364  13.640
    7    HE1  MET   1           HE1      MET   1 -14.321 -24.183  14.761
    8    HE2  MET   1           HE2      MET   1 -12.936 -24.072  13.650
    9    HE3  MET   1           HE3      MET   1 -12.668 -24.398  15.378
   10    H    MET   2           H        MET   2 -14.964 -19.965  10.969
   11    HA   MET   2           HA       MET   2 -14.558 -22.263   9.176
   12    HB2  MET   2           HB2      MET   2 -16.665 -21.172   8.409
   13    HB3  MET   2           HB3      MET   2 -15.800 -19.635   8.242
   14    HG2  MET   2           HG2      MET   2 -14.341 -20.614   6.533
   15    HG3  MET   2           HG3      MET   2 -15.091 -22.201   6.770
   16    HE1  MET   2           HE1      MET   2 -14.659 -20.809   3.959
   17    HE2  MET   2           HE2      MET   2 -15.410 -22.409   4.179
   18    HE3  MET   2           HE3      MET   2 -16.210 -21.181   3.169
   19    H    LEU   3           H        LEU   3 -12.823 -21.837   7.624
   20    HA   LEU   3           HA       LEU   3 -11.220 -19.411   7.974
   21    HB2  LEU   3           HB2      LEU   3  -9.175 -20.734   8.555
   22    HB3  LEU   3           HB3      LEU   3 -10.391 -20.635   9.823
   23    HG   LEU   3           HG       LEU   3 -11.178 -22.928   9.262
   24   HD11  LEU   3          HD11      LEU   3 -10.483 -23.190   6.936
   25   HD12  LEU   3          HD12      LEU   3  -8.777 -22.914   7.379
   26   HD13  LEU   3          HD13      LEU   3  -9.627 -24.377   7.926
   27   HD21  LEU   3          HD21      LEU   3  -9.217 -24.049  10.246
   28   HD22  LEU   3          HD22      LEU   3  -8.204 -22.644   9.848
   29   HD23  LEU   3          HD23      LEU   3  -9.521 -22.486  11.035
   30    H    GLY   4           H        GLY   4  -9.017 -19.874   6.637
   31    HA2  GLY   4           HA2      GLY   4  -9.216 -21.593   4.357
   32    HA3  GLY   4           HA3      GLY   4  -9.767 -19.964   3.942
   33    HA   PRO   5           HA       PRO   5  -5.094 -20.213   3.667
   34    HB2  PRO   5           HB2      PRO   5  -4.800 -19.669   1.007
   35    HB3  PRO   5           HB3      PRO   5  -5.192 -21.313   1.614
   36    HG2  PRO   5           HG2      PRO   5  -7.115 -19.210   0.573
   37    HG3  PRO   5           HG3      PRO   5  -6.996 -20.935   0.086
   38    HD2  PRO   5           HD2      PRO   5  -8.797 -20.076   1.948
   39    HD3  PRO   5           HD3      PRO   5  -7.977 -21.660   2.110
   40    H    GLU   6           H        GLU   6  -7.572 -17.920   3.380
   41    HA   GLU   6           HA       GLU   6  -5.682 -15.723   3.816
   42    HB2  GLU   6           HB2      GLU   6  -6.619 -14.314   2.063
   43    HB3  GLU   6           HB3      GLU   6  -5.910 -15.768   1.348
   44    HG2  GLU   6           HG2      GLU   6  -8.135 -16.779   1.115
   45    HG3  GLU   6           HG3      GLU   6  -8.878 -15.393   1.937
   46    H    GLY   7           H        GLY   7  -7.090 -13.603   4.077
   47    HA2  GLY   7           HA2      GLY   7  -9.816 -13.892   4.949
   48    HA3  GLY   7           HA3      GLY   7  -8.704 -13.841   6.328
   49    H    GLY   8           H        GLY   8 -10.346 -11.806   6.395
   50    HA2  GLY   8           HA2      GLY   8  -8.750  -9.502   6.304
   51    HA3  GLY   8           HA3      GLY   8  -9.703  -9.517   4.810
   52    H    GLU   9           H        GLU   9 -10.160  -7.446   6.433
   53    HA   GLU   9           HA       GLU   9 -12.878  -7.960   7.470
   54    HB2  GLU   9           HB2      GLU   9 -10.662  -6.648   9.103
   55    HB3  GLU   9           HB3      GLU   9 -12.375  -6.681   9.536
   56    HG2  GLU   9           HG2      GLU   9 -12.308  -9.170   9.567
   57    HG3  GLU   9           HG3      GLU   9 -10.566  -9.109   9.227
   58    H    GLY  10           H        GLY  10 -11.202  -6.349   5.268
   59    HA2  GLY  10           HA2      GLY  10 -13.026  -4.087   5.294
   60    HA3  GLY  10           HA3      GLY  10 -11.349  -3.634   5.602
   61    H    PHE  11           H        PHE  11 -12.911  -2.799   3.398
   62    HA   PHE  11           HA       PHE  11 -11.932  -4.238   1.032
   63    HB2  PHE  11           HB2      PHE  11 -13.556  -1.685   1.228
   64    HB3  PHE  11           HB3      PHE  11 -13.341  -2.699  -0.200
   65    HD1  PHE  11           HD1      PHE  11 -13.664  -5.403   1.313
   66    HD2  PHE  11           HD2      PHE  11 -15.946  -1.755   1.297
   67    HE1  PHE  11           HE1      PHE  11 -15.692  -6.670   1.938
   68    HE2  PHE  11           HE2      PHE  11 -17.978  -3.029   1.934
   69    HZ   PHE  11           HZ       PHE  11 -17.852  -5.488   2.260
   70    H    VAL  12           H        VAL  12  -9.729  -3.612   2.209
   71    HA   VAL  12           HA       VAL  12  -8.725  -1.138   0.873
   72    HB   VAL  12           HB       VAL  12  -8.170  -2.074   3.723
   73   HG11  VAL  12          HG11      VAL  12  -6.851   0.014   3.917
   74   HG12  VAL  12          HG12      VAL  12  -6.139  -1.112   2.752
   75   HG13  VAL  12          HG13      VAL  12  -7.060   0.301   2.174
   76   HG21  VAL  12          HG21      VAL  12  -9.617   0.365   2.608
   77   HG22  VAL  12          HG22      VAL  12 -10.323  -0.949   3.573
   78   HG23  VAL  12          HG23      VAL  12  -9.148   0.164   4.308
   79    H    VAL  13           H        VAL  13  -6.523  -1.233   0.266
   80    HA   VAL  13           HA       VAL  13  -5.149  -3.850   0.607
   81    HB   VAL  13           HB       VAL  13  -4.481  -3.844  -1.769
   82   HG11  VAL  13          HG11      VAL  13  -7.495  -3.846  -1.380
   83   HG12  VAL  13          HG12      VAL  13  -6.587  -4.668  -2.668
   84   HG13  VAL  13          HG13      VAL  13  -6.395  -5.189  -0.982
   85   HG21  VAL  13          HG21      VAL  13  -5.725  -2.480  -3.404
   86   HG22  VAL  13          HG22      VAL  13  -6.528  -1.611  -2.076
   87   HG23  VAL  13          HG23      VAL  13  -4.770  -1.466  -2.301
   88    H    LYS  14           H        LYS  14  -2.851  -3.690  -0.256
   89    HA   LYS  14           HA       LYS  14  -1.692  -1.064   0.567
   90    HB2  LYS  14           HB2      LYS  14  -0.101  -3.602   0.412
   91    HB3  LYS  14           HB3      LYS  14   0.159  -2.175   1.421
   92    HG2  LYS  14           HG2      LYS  14  -1.872  -2.836   2.771
   93    HG3  LYS  14           HG3      LYS  14  -1.985  -4.311   1.784
   94    HD2  LYS  14           HD2      LYS  14   0.432  -4.800   2.454
   95    HD3  LYS  14           HD3      LYS  14   0.273  -3.490   3.646
   96    HE2  LYS  14           HE2      LYS  14  -1.721  -4.687   4.607
   97    HE3  LYS  14           HE3      LYS  14  -1.461  -5.990   3.439
   98    HZ1  LYS  14           HZ1      LYS  14  -0.478  -6.514   5.536
   99    HZ2  LYS  14           HZ2      LYS  14   0.726  -6.310   4.429
  100    HZ3  LYS  14           HZ3      LYS  14   0.405  -5.131   5.542
  101    H    LEU  15           H        LEU  15   0.354  -0.467  -0.583
  102    HA   LEU  15           HA       LEU  15   0.586  -1.593  -3.323
  103    HB2  LEU  15           HB2      LEU  15  -0.855   0.622  -2.877
  104    HB3  LEU  15           HB3      LEU  15   0.738   1.366  -2.820
  105    HG   LEU  15           HG       LEU  15  -0.148   1.635  -4.978
  106   HD11  LEU  15          HD11      LEU  15   2.279   0.992  -4.890
  107   HD12  LEU  15          HD12      LEU  15   1.789  -0.682  -5.274
  108   HD13  LEU  15          HD13      LEU  15   1.481   0.619  -6.434
  109   HD21  LEU  15          HD21      LEU  15  -1.843  -0.141  -4.922
  110   HD22  LEU  15          HD22      LEU  15  -0.887  -0.230  -6.418
  111   HD23  LEU  15          HD23      LEU  15  -0.573  -1.374  -5.092
  112    H    ARG  16           H        ARG  16   2.658  -1.746  -3.985
  113    HA   ARG  16           HA       ARG  16   4.874  -0.256  -2.678
  114    HB2  ARG  16           HB2      ARG  16   4.551  -3.289  -2.736
  115    HB3  ARG  16           HB3      ARG  16   6.126  -2.488  -2.602
  116    HG2  ARG  16           HG2      ARG  16   5.355  -1.293  -0.582
  117    HG3  ARG  16           HG3      ARG  16   3.812  -2.180  -0.645
  118    HD2  ARG  16           HD2      ARG  16   4.919  -4.289  -0.339
  119    HD3  ARG  16           HD3      ARG  16   6.521  -3.557  -0.568
  120    HE   ARG  16           HE       ARG  16   5.588  -2.188   1.590
  121   HH11  ARG  16          HH11      ARG  16   5.741  -5.659   0.890
  122   HH12  ARG  16          HH12      ARG  16   5.933  -6.095   2.572
  123   HH21  ARG  16          HH21      ARG  16   5.903  -2.782   3.735
  124   HH22  ARG  16          HH22      ARG  16   5.996  -4.473   4.188
  125    H    GLY  17           H        GLY  17   6.638  -0.041  -4.153
  126    HA2  GLY  17           HA2      GLY  17   7.560  -1.440  -6.173
  127    HA3  GLY  17           HA3      GLY  17   6.045  -0.924  -6.929
  128    H    LEU  18           H        LEU  18   7.896  -0.166  -8.391
  129    HA   LEU  18           HA       LEU  18   9.034   1.473  -9.399
  130    HB2  LEU  18           HB2      LEU  18   7.388   3.315  -7.635
  131    HB3  LEU  18           HB3      LEU  18   8.257   3.782  -9.098
  132    HG   LEU  18           HG       LEU  18   5.862   1.917  -8.890
  133   HD11  LEU  18          HD11      LEU  18   6.337   4.559 -10.333
  134   HD12  LEU  18          HD12      LEU  18   4.827   3.623 -10.337
  135   HD13  LEU  18          HD13      LEU  18   5.411   4.351  -8.825
  136   HD21  LEU  18          HD21      LEU  18   7.726   2.517 -11.215
  137   HD22  LEU  18          HD22      LEU  18   7.269   0.923 -10.542
  138   HD23  LEU  18          HD23      LEU  18   6.083   1.894 -11.438
  139    HA   PRO  19           HA       PRO  19  12.763   2.654  -7.419
  140    HB2  PRO  19           HB2      PRO  19  12.391   5.250  -8.924
  141    HB3  PRO  19           HB3      PRO  19  13.866   4.237  -8.767
  142    HG2  PRO  19           HG2      PRO  19  12.362   4.088 -11.002
  143    HG3  PRO  19           HG3      PRO  19  12.951   2.578 -10.226
  144    HD2  PRO  19           HD2      PRO  19  10.209   3.841 -10.018
  145    HD3  PRO  19           HD3      PRO  19  10.659   2.123 -10.252
  146    H    TRP  20           H        TRP  20  11.868   2.754  -5.315
  147    HA   TRP  20           HA       TRP  20  11.420   3.633  -3.305
  148    HB2  TRP  20           HB2      TRP  20  13.185   5.786  -4.511
  149    HB3  TRP  20           HB3      TRP  20  12.655   5.838  -2.846
  150    HD1  TRP  20           HD1      TRP  20  15.482   6.041  -3.018
  151    HE1  TRP  20           HE1      TRP  20  17.150   4.274  -2.262
  152    HE3  TRP  20           HE3      TRP  20  12.536   1.850  -3.494
  153    HZ2  TRP  20           HZ2      TRP  20  17.143   1.428  -1.705
  154    HZ3  TRP  20           HZ3      TRP  20  13.419  -0.332  -2.753
  155    HH2  TRP  20           HH2      TRP  20  15.682  -0.547  -1.847
  156    H    SER  21           H        SER  21   9.642   4.996  -5.790
  157    HA   SER  21           HA       SER  21   8.194   6.667  -3.851
  158    HB2  SER  21           HB2      SER  21  10.037   8.122  -4.689
  159    HB3  SER  21           HB3      SER  21   9.423   7.903  -6.343
  160    HG   SER  21           HG       SER  21   8.630   9.809  -5.333
  161    H    CYS  22           H        CYS  22   6.212   7.561  -4.659
  162    HA   CYS  22           HA       CYS  22   5.094   6.745  -7.213
  163    HB2  CYS  22           HB2      CYS  22   5.017   4.649  -5.827
  164    HB3  CYS  22           HB3      CYS  22   4.041   5.513  -4.623
  165    HG   CYS  22           HG       CYS  22   2.051   6.072  -6.173
  166    H    SER  23           H        SER  23   2.646   7.441  -7.182
  167    HA   SER  23           HA       SER  23   2.064   9.542  -5.168
  168    HB2  SER  23           HB2      SER  23   3.141  10.715  -7.042
  169    HB3  SER  23           HB3      SER  23   2.006   9.968  -8.186
  170    HG   SER  23           HG       SER  23   1.412  12.100  -7.511
  171    H    VAL  24           H        VAL  24  -0.223  10.323  -5.407
  172    HA   VAL  24           HA       VAL  24  -1.960   8.071  -5.491
  173    HB   VAL  24           HB       VAL  24  -3.345   9.380  -4.407
  174   HG11  VAL  24          HG11      VAL  24  -2.690  11.610  -3.683
  175   HG12  VAL  24          HG12      VAL  24  -1.303  10.506  -3.612
  176   HG13  VAL  24          HG13      VAL  24  -1.440  11.688  -4.944
  177   HG21  VAL  24          HG21      VAL  24  -3.310  11.365  -6.676
  178   HG22  VAL  24          HG22      VAL  24  -4.484  10.044  -6.387
  179   HG23  VAL  24          HG23      VAL  24  -4.386  11.395  -5.254
  180    H    GLU  25           H        GLU  25  -0.756  10.190  -7.976
  181    HA   GLU  25           HA       GLU  25  -3.013   9.723  -9.790
  182    HB2  GLU  25           HB2      GLU  25  -0.252  10.945 -10.198
  183    HB3  GLU  25           HB3      GLU  25  -1.547  10.892 -11.412
  184    HG2  GLU  25           HG2      GLU  25  -3.023  12.179  -9.882
  185    HG3  GLU  25           HG3      GLU  25  -1.713  12.261  -8.691
  186    H    ASP  26           H        ASP  26   0.078   8.177  -9.032
  187    HA   ASP  26           HA       ASP  26   0.118   6.696 -11.567
  188    HB2  ASP  26           HB2      ASP  26   1.740   6.420  -9.005
  189    HB3  ASP  26           HB3      ASP  26   2.047   5.548 -10.517
  190    H    VAL  27           H        VAL  27  -0.781   6.160  -8.136
  191    HA   VAL  27           HA       VAL  27  -1.187   3.339  -8.438
  192    HB   VAL  27           HB       VAL  27  -0.737   4.488  -6.309
  193   HG11  VAL  27          HG11      VAL  27  -3.607   5.490  -6.488
  194   HG12  VAL  27          HG12      VAL  27  -2.473   5.720  -5.140
  195   HG13  VAL  27          HG13      VAL  27  -2.149   6.483  -6.711
  196   HG21  VAL  27          HG21      VAL  27  -3.428   3.077  -6.278
  197   HG22  VAL  27          HG22      VAL  27  -1.843   2.262  -6.340
  198   HG23  VAL  27          HG23      VAL  27  -2.276   3.258  -4.928
  199    H    GLN  28           H        GLN  28  -3.341   6.196  -8.865
  200    HA   GLN  28           HA       GLN  28  -5.658   4.507  -9.305
  201    HB2  GLN  28           HB2      GLN  28  -6.769   6.569  -9.974
  202    HB3  GLN  28           HB3      GLN  28  -5.853   6.812  -8.479
  203    HG2  GLN  28           HG2      GLN  28  -3.994   7.789  -9.845
  204    HG3  GLN  28           HG3      GLN  28  -5.009   7.669 -11.283
  205   HE21  GLN  28          HE21      GLN  28  -5.641   8.758  -7.863
  206   HE22  GLN  28          HE22      GLN  28  -6.239  10.327  -8.317
  207    H    ASN  29           H        ASN  29  -3.024   5.798 -11.279
  208    HA   ASN  29           HA       ASN  29  -4.183   5.181 -13.844
  209    HB2  ASN  29           HB2      ASN  29  -2.419   6.557 -14.195
  210    HB3  ASN  29           HB3      ASN  29  -1.643   6.093 -12.679
  211   HD21  ASN  29          HD21      ASN  29  -0.348   4.190 -12.561
  212   HD22  ASN  29          HD22      ASN  29   0.445   3.577 -13.997
  213    H    PHE  30           H        PHE  30  -2.982   3.179 -11.289
  214    HA   PHE  30           HA       PHE  30  -2.360   0.986 -13.210
  215    HB2  PHE  30           HB2      PHE  30  -0.543   1.595 -11.829
  216    HB3  PHE  30           HB3      PHE  30  -1.520   1.527 -10.362
  217    HD1  PHE  30           HD1      PHE  30  -0.059  -0.548 -13.106
  218    HD2  PHE  30           HD2      PHE  30  -1.801  -0.498  -9.176
  219    HE1  PHE  30           HE1      PHE  30   0.553  -2.928 -12.801
  220    HE2  PHE  30           HE2      PHE  30  -1.244  -2.887  -8.889
  221    HZ   PHE  30           HZ       PHE  30  -0.033  -4.104 -10.695
  222    H    LEU  31           H        LEU  31  -4.464   1.893 -10.498
  223    HA   LEU  31           HA       LEU  31  -5.733  -0.769 -10.463
  224    HB2  LEU  31           HB2      LEU  31  -5.912   1.744  -8.832
  225    HB3  LEU  31           HB3      LEU  31  -7.327   0.721  -8.895
  226    HG   LEU  31           HG       LEU  31  -6.137  -1.199  -8.061
  227   HD11  LEU  31          HD11      LEU  31  -3.966  -0.954  -9.087
  228   HD12  LEU  31          HD12      LEU  31  -3.640   0.525  -8.135
  229   HD13  LEU  31          HD13      LEU  31  -3.780  -1.057  -7.332
  230   HD21  LEU  31          HD21      LEU  31  -5.524  -0.336  -5.825
  231   HD22  LEU  31          HD22      LEU  31  -5.435   1.315  -6.490
  232   HD23  LEU  31          HD23      LEU  31  -6.995   0.462  -6.434
  233    H    SER  32           H        SER  32  -5.773   0.015 -12.957
  234    HA   SER  32           HA       SER  32  -7.799   1.779 -13.839
  235    HB2  SER  32           HB2      SER  32  -6.482  -0.575 -15.247
  236    HB3  SER  32           HB3      SER  32  -7.333   0.775 -16.028
  237    HG   SER  32           HG       SER  32  -5.065   1.089 -15.966
  238    H    ASP  33           H        ASP  33  -8.519  -0.822 -12.067
  239    HA   ASP  33           HA       ASP  33 -11.000  -1.405 -13.601
  240    HB2  ASP  33           HB2      ASP  33  -9.511  -3.514 -12.015
  241    HB3  ASP  33           HB3      ASP  33 -10.809  -3.739 -13.187
  242    H    CYS  34           H        CYS  34  -9.849   0.104 -11.009
  243    HA   CYS  34           HA       CYS  34 -11.789  -1.006  -9.027
  244    HB2  CYS  34           HB2      CYS  34  -8.832  -0.418  -8.833
  245    HB3  CYS  34           HB3      CYS  34  -9.843  -0.481  -7.389
  246    HG   CYS  34           HG       CYS  34 -10.798  -2.874  -7.847
  247    H    THR  35           H        THR  35 -11.800   0.544  -7.079
  248    HA   THR  35           HA       THR  35 -11.707   3.401  -7.914
  249    HB   THR  35           HB       THR  35 -13.950   1.886  -6.497
  250    HG1  THR  35           HG1      THR  35 -13.986   1.804  -8.755
  251   HG21  THR  35          HG21      THR  35 -13.589   4.873  -6.946
  252   HG22  THR  35          HG22      THR  35 -15.111   4.098  -6.442
  253   HG23  THR  35          HG23      THR  35 -13.694   4.022  -5.381
  254    H    ILE  36           H        ILE  36 -11.419   4.837  -6.097
  255    HA   ILE  36           HA       ILE  36  -9.785   3.477  -4.013
  256    HB   ILE  36           HB       ILE  36  -9.232   5.923  -5.694
  257   HG12  ILE  36          HG12      ILE  36  -7.496   3.468  -5.401
  258   HG13  ILE  36          HG13      ILE  36  -8.921   3.390  -6.445
  259   HG21  ILE  36          HG21      ILE  36  -8.249   6.505  -3.592
  260   HG22  ILE  36          HG22      ILE  36  -7.742   4.827  -3.285
  261   HG23  ILE  36          HG23      ILE  36  -6.935   5.800  -4.540
  262   HD11  ILE  36          HD11      ILE  36  -8.187   5.308  -7.724
  263   HD12  ILE  36          HD12      ILE  36  -6.733   5.471  -6.701
  264   HD13  ILE  36          HD13      ILE  36  -6.950   4.029  -7.725
  265    H    HIS  37           H        HIS  37 -12.425   3.943  -3.635
  266    HA   HIS  37           HA       HIS  37 -13.960   4.790  -2.241
  267    HB2  HIS  37           HB2      HIS  37 -12.039   4.218  -0.711
  268    HB3  HIS  37           HB3      HIS  37 -11.672   5.940  -0.663
  269    HD1  HIS  37           HD1      HIS  37 -14.015   3.348   0.755
  270    HD2  HIS  37           HD2      HIS  37 -13.665   7.526   0.517
  271    HE1  HIS  37           HE1      HIS  37 -15.630   4.311   2.489
  272    H    ASP  38           H        ASP  38 -11.742   7.044  -3.651
  273    HA   ASP  38           HA       ASP  38 -13.884   9.011  -4.040
  274    HB2  ASP  38           HB2      ASP  38 -11.306   9.616  -2.545
  275    HB3  ASP  38           HB3      ASP  38 -12.294  10.853  -3.336
  276    H    GLY  39           H        GLY  39 -10.494   7.977  -4.436
  277    HA2  GLY  39           HA2      GLY  39  -9.908   7.456  -6.804
  278    HA3  GLY  39           HA3      GLY  39 -10.487   9.079  -7.211
  279    H    ALA  40           H        ALA  40  -9.488  10.376  -4.942
  280    HA   ALA  40           HA       ALA  40  -6.541  10.131  -4.991
  281    HB1  ALA  40           HB1      ALA  40  -8.108  12.626  -5.774
  282    HB2  ALA  40           HB2      ALA  40  -6.342  12.540  -5.576
  283    HB3  ALA  40           HB3      ALA  40  -7.136  11.625  -6.880
  284    H    ALA  41           H        ALA  41  -9.168  10.108  -3.203
  285    HA   ALA  41           HA       ALA  41  -7.961  11.708  -1.007
  286    HB1  ALA  41           HB1      ALA  41  -9.901  12.908  -1.957
  287    HB2  ALA  41           HB2      ALA  41 -10.928  11.499  -1.623
  288    HB3  ALA  41           HB3      ALA  41 -10.191  12.390  -0.280
  289    H    GLY  42           H        GLY  42  -8.118   8.752  -1.933
  290    HA2  GLY  42           HA2      GLY  42  -8.714   7.671   0.783
  291    HA3  GLY  42           HA3      GLY  42  -9.148   6.799  -0.704
  292    H    VAL  43           H        VAL  43  -6.334   8.521  -1.298
  293    HA   VAL  43           HA       VAL  43  -4.649   6.175  -1.281
  294    HB   VAL  43           HB       VAL  43  -4.598   8.216  -2.905
  295   HG11  VAL  43          HG11      VAL  43  -4.587   9.936  -1.100
  296   HG12  VAL  43          HG12      VAL  43  -2.954   9.398  -0.631
  297   HG13  VAL  43          HG13      VAL  43  -3.236  10.095  -2.234
  298   HG21  VAL  43          HG21      VAL  43  -2.909   6.411  -2.861
  299   HG22  VAL  43          HG22      VAL  43  -2.196   7.990  -3.237
  300   HG23  VAL  43          HG23      VAL  43  -1.998   7.298  -1.616
  301    H    HIS  44           H        HIS  44  -2.605   6.011  -0.093
  302    HA   HIS  44           HA       HIS  44  -2.108   7.859   2.144
  303    HB2  HIS  44           HB2      HIS  44  -2.686   4.901   2.460
  304    HB3  HIS  44           HB3      HIS  44  -1.718   5.805   3.624
  305    HD1  HIS  44           HD1      HIS  44  -3.102   7.969   4.812
  306    HD2  HIS  44           HD2      HIS  44  -5.261   4.935   2.872
  307    HE1  HIS  44           HE1      HIS  44  -5.498   8.119   5.676
  308    H    PHE  45           H        PHE  45   0.072   7.478   3.051
  309    HA   PHE  45           HA       PHE  45   1.860   5.698   1.528
  310    HB2  PHE  45           HB2      PHE  45   2.164   8.717   1.693
  311    HB3  PHE  45           HB3      PHE  45   3.459   7.613   1.219
  312    HD1  PHE  45           HD1      PHE  45   3.246   6.232  -0.855
  313    HD2  PHE  45           HD2      PHE  45   0.430   9.323   0.136
  314    HE1  PHE  45           HE1      PHE  45   2.323   6.128  -3.157
  315    HE2  PHE  45           HE2      PHE  45  -0.479   9.232  -2.163
  316    HZ   PHE  45           HZ       PHE  45   0.416   7.583  -3.800
  317    H    ILE  46           H        ILE  46   4.139   5.812   2.616
  318    HA   ILE  46           HA       ILE  46   3.706   6.136   5.550
  319    HB   ILE  46           HB       ILE  46   5.127   3.768   4.335
  320   HG12  ILE  46          HG12      ILE  46   2.207   4.043   5.181
  321   HG13  ILE  46          HG13      ILE  46   2.807   3.747   3.536
  322   HG21  ILE  46          HG21      ILE  46   3.905   4.325   7.087
  323   HG22  ILE  46          HG22      ILE  46   4.768   2.847   6.614
  324   HG23  ILE  46          HG23      ILE  46   5.640   4.383   6.701
  325   HD11  ILE  46          HD11      ILE  46   3.859   1.624   4.370
  326   HD12  ILE  46          HD12      ILE  46   2.986   1.881   5.905
  327   HD13  ILE  46          HD13      ILE  46   2.080   1.662   4.387
  328    H    TYR  47           H        TYR  47   5.479   6.771   6.731
  329    HA   TYR  47           HA       TYR  47   8.125   7.152   5.529
  330    HB2  TYR  47           HB2      TYR  47   7.994   9.626   5.830
  331    HB3  TYR  47           HB3      TYR  47   6.961   9.014   4.533
  332    HD1  TYR  47           HD1      TYR  47   6.946  10.323   8.014
  333    HD2  TYR  47           HD2      TYR  47   4.606   9.256   4.568
  334    HE1  TYR  47           HE1      TYR  47   4.964  11.412   9.031
  335    HE2  TYR  47           HE2      TYR  47   2.617  10.346   5.568
  336    HH   TYR  47           HH       TYR  47   1.783  11.505   7.363
  337    H    THR  48           H        THR  48   9.519   8.410   7.140
  338    HA   THR  48           HA       THR  48   8.548   8.350   9.928
  339    HB   THR  48           HB       THR  48  10.651   7.163  10.633
  340    HG1  THR  48           HG1      THR  48  11.697   5.954   9.005
  341   HG21  THR  48          HG21      THR  48   9.853   4.929  10.153
  342   HG22  THR  48          HG22      THR  48   8.472   6.007  10.469
  343   HG23  THR  48          HG23      THR  48   8.869   5.527   8.795
  344    H    ARG  49           H        ARG  49  10.406   9.144  11.383
  345    HA   ARG  49           HA       ARG  49  11.142  11.748  10.411
  346    HB2  ARG  49           HB2      ARG  49  12.005  12.037  12.711
  347    HB3  ARG  49           HB3      ARG  49  10.341  11.449  12.624
  348    HG2  ARG  49           HG2      ARG  49  11.481  10.317  14.408
  349    HG3  ARG  49           HG3      ARG  49  11.071   9.161  13.137
  350    HD2  ARG  49           HD2      ARG  49  13.332   8.779  14.071
  351    HD3  ARG  49           HD3      ARG  49  13.378   9.149  12.348
  352    HE   ARG  49           HE       ARG  49  14.410  11.209  12.797
  353   HH11  ARG  49          HH11      ARG  49  13.489   9.601  15.814
  354   HH12  ARG  49          HH12      ARG  49  14.457  10.664  16.807
  355   HH21  ARG  49          HH21      ARG  49  15.656  12.573  14.120
  356   HH22  ARG  49          HH22      ARG  49  15.677  12.341  15.853
  357    H    GLU  50           H        GLU  50  12.627   8.895   9.687
  358    HA   GLU  50           HA       GLU  50  15.086  10.229   8.985
  359    HB2  GLU  50           HB2      GLU  50  15.359   9.603  11.439
  360    HB3  GLU  50           HB3      GLU  50  15.318   7.897  10.940
  361    HG2  GLU  50           HG2      GLU  50  17.306   8.197   9.595
  362    HG3  GLU  50           HG3      GLU  50  17.129   9.957   9.661
  363    H    GLY  51           H        GLY  51  13.010   9.075   7.519
  364    HA2  GLY  51           HA2      GLY  51  14.069   6.437   6.601
  365    HA3  GLY  51           HA3      GLY  51  12.384   6.964   6.499
  366    H    ARG  52           H        ARG  52  11.834   7.287   4.479
  367    HA   ARG  52           HA       ARG  52  13.582   8.859   2.687
  368    HB2  ARG  52           HB2      ARG  52  13.344   7.208   0.879
  369    HB3  ARG  52           HB3      ARG  52  14.297   6.608   2.233
  370    HG2  ARG  52           HG2      ARG  52  11.342   5.952   1.942
  371    HG3  ARG  52           HG3      ARG  52  12.616   5.023   1.138
  372    HD2  ARG  52           HD2      ARG  52  13.695   4.801   3.467
  373    HD3  ARG  52           HD3      ARG  52  12.124   5.302   4.111
  374    HE   ARG  52           HE       ARG  52  12.834   2.763   2.837
  375   HH11  ARG  52          HH11      ARG  52  10.137   4.869   3.755
  376   HH12  ARG  52          HH12      ARG  52   8.984   3.556   3.774
  377   HH21  ARG  52          HH21      ARG  52  11.309   1.094   2.882
  378   HH22  ARG  52          HH22      ARG  52   9.642   1.426   3.284
  379    H    GLN  53           H        GLN  53  10.765   8.765   4.070
  380    HA   GLN  53           HA       GLN  53   8.770   9.665   3.776
  381    HB2  GLN  53           HB2      GLN  53  10.018  11.157   1.457
  382    HB3  GLN  53           HB3      GLN  53   8.585  11.623   2.390
  383    HG2  GLN  53           HG2      GLN  53  11.446  11.427   3.404
  384    HG3  GLN  53           HG3      GLN  53  10.482  12.895   3.210
  385   HE21  GLN  53          HE21      GLN  53  11.602  10.717   5.456
  386   HE22  GLN  53          HE22      GLN  53  10.364  10.866   6.685
  387    H    SER  54           H        SER  54   9.778   7.538   1.340
  388    HA   SER  54           HA       SER  54   7.026   6.929   0.732
  389    HB2  SER  54           HB2      SER  54   7.447   8.929  -0.751
  390    HB3  SER  54           HB3      SER  54   8.725   7.995  -1.560
  391    HG   SER  54           HG       SER  54   6.602   7.898  -2.553
  392    H    GLY  55           H        GLY  55   6.842   5.013  -0.652
  393    HA2  GLY  55           HA2      GLY  55   8.518   3.539  -2.064
  394    HA3  GLY  55           HA3      GLY  55   9.176   3.233  -0.435
  395    H    GLU  56           H        GLU  56   6.230   3.780   0.476
  396    HA   GLU  56           HA       GLU  56   4.927   1.231  -0.260
  397    HB2  GLU  56           HB2      GLU  56   5.713   2.079   2.563
  398    HB3  GLU  56           HB3      GLU  56   4.628   0.725   2.176
  399    HG2  GLU  56           HG2      GLU  56   6.402  -0.422   0.984
  400    HG3  GLU  56           HG3      GLU  56   7.485   0.943   1.161
  401    H    ALA  57           H        ALA  57   2.683   1.187   0.491
  402    HA   ALA  57           HA       ALA  57   1.453   3.669   1.405
  403    HB1  ALA  57           HB1      ALA  57   1.379   2.797  -1.510
  404    HB2  ALA  57           HB2      ALA  57   0.233   3.957  -0.820
  405    HB3  ALA  57           HB3      ALA  57   1.973   4.337  -0.870
  406    H    PHE  58           H        PHE  58  -0.946   3.570   1.130
  407    HA   PHE  58           HA       PHE  58  -2.062   0.824   0.867
  408    HB2  PHE  58           HB2      PHE  58  -2.889   2.928   2.897
  409    HB3  PHE  58           HB3      PHE  58  -3.723   1.415   2.607
  410    HD1  PHE  58           HD1      PHE  58  -2.661  -0.761   3.253
  411    HD2  PHE  58           HD2      PHE  58  -0.932   3.045   4.241
  412    HE1  PHE  58           HE1      PHE  58  -1.312  -1.837   5.042
  413    HE2  PHE  58           HE2      PHE  58   0.378   1.996   6.041
  414    HZ   PHE  58           HZ       PHE  58   0.199  -0.469   6.449
  415    H    VAL  59           H        VAL  59  -4.392   0.892   0.333
  416    HA   VAL  59           HA       VAL  59  -5.300   3.405  -0.948
  417    HB   VAL  59           HB       VAL  59  -5.215   0.722  -2.389
  418   HG11  VAL  59          HG11      VAL  59  -7.095   2.220  -3.012
  419   HG12  VAL  59          HG12      VAL  59  -5.930   3.530  -3.324
  420   HG13  VAL  59          HG13      VAL  59  -5.914   2.067  -4.330
  421   HG21  VAL  59          HG21      VAL  59  -3.506   3.203  -2.833
  422   HG22  VAL  59          HG22      VAL  59  -2.932   1.626  -2.238
  423   HG23  VAL  59          HG23      VAL  59  -3.561   1.769  -3.888
  424    H    GLU  60           H        GLU  60  -7.149   3.702   0.243
  425    HA   GLU  60           HA       GLU  60  -8.852   1.477   1.001
  426    HB2  GLU  60           HB2      GLU  60  -9.405   4.473   0.830
  427    HB3  GLU  60           HB3      GLU  60 -10.474   3.266   1.574
  428    HG2  GLU  60           HG2      GLU  60  -8.617   2.646   3.140
  429    HG3  GLU  60           HG3      GLU  60  -7.655   3.979   2.475
  430    H    LEU  61           H        LEU  61 -10.875   0.902   0.056
  431    HA   LEU  61           HA       LEU  61 -11.284   1.917  -2.726
  432    HB2  LEU  61           HB2      LEU  61 -11.791  -0.918  -1.857
  433    HB3  LEU  61           HB3      LEU  61 -11.751  -0.287  -3.493
  434    HG   LEU  61           HG       LEU  61  -9.262  -0.291  -1.730
  435   HD11  LEU  61          HD11      LEU  61 -10.147  -2.585  -1.980
  436   HD12  LEU  61          HD12      LEU  61 -10.152  -2.364  -3.748
  437   HD13  LEU  61          HD13      LEU  61  -8.616  -2.351  -2.857
  438   HD21  LEU  61          HD21      LEU  61  -9.693  -0.219  -4.756
  439   HD22  LEU  61          HD22      LEU  61  -9.220   1.176  -3.749
  440   HD23  LEU  61          HD23      LEU  61  -8.119  -0.208  -3.925
  441    H    GLY  62           H        GLY  62 -13.571   0.587  -3.377
  442    HA2  GLY  62           HA2      GLY  62 -15.484   1.987  -1.589
  443    HA3  GLY  62           HA3      GLY  62 -15.707   1.550  -3.290
  444    H    SER  63           H        SER  63 -14.775  -1.265  -2.959
  445    HA   SER  63           HA       SER  63 -16.812  -2.429  -1.165
  446    HB2  SER  63           HB2      SER  63 -16.909  -2.745  -4.194
  447    HB3  SER  63           HB3      SER  63 -17.890  -3.660  -3.027
  448    HG   SER  63           HG       SER  63 -19.002  -1.854  -3.889
  449    H    GLU  64           H        GLU  64 -16.830  -4.859  -1.361
  450    HA   GLU  64           HA       GLU  64 -14.254  -6.005  -1.106
  451    HB2  GLU  64           HB2      GLU  64 -16.299  -6.989  -0.156
  452    HB3  GLU  64           HB3      GLU  64 -16.966  -7.232  -1.770
  453    HG2  GLU  64           HG2      GLU  64 -15.179  -8.817  -2.318
  454    HG3  GLU  64           HG3      GLU  64 -14.406  -8.515  -0.744
  455    H    ASP  65           H        ASP  65 -16.322  -5.481  -3.959
  456    HA   ASP  65           HA       ASP  65 -14.958  -7.393  -5.600
  457    HB2  ASP  65           HB2      ASP  65 -17.239  -6.421  -6.004
  458    HB3  ASP  65           HB3      ASP  65 -16.476  -4.877  -6.415
  459    H    ASP  66           H        ASP  66 -14.233  -4.064  -4.623
  460    HA   ASP  66           HA       ASP  66 -12.304  -3.620  -6.765
  461    HB2  ASP  66           HB2      ASP  66 -12.897  -2.192  -4.141
  462    HB3  ASP  66           HB3      ASP  66 -11.741  -1.627  -5.348
  463    H    VAL  67           H        VAL  67 -12.191  -4.693  -3.305
  464    HA   VAL  67           HA       VAL  67  -9.307  -4.606  -3.242
  465    HB   VAL  67           HB       VAL  67 -10.255  -4.580  -1.127
  466   HG11  VAL  67          HG11      VAL  67 -11.941  -7.001  -1.764
  467   HG12  VAL  67          HG12      VAL  67 -11.880  -6.114  -0.223
  468   HG13  VAL  67          HG13      VAL  67 -12.501  -5.300  -1.668
  469   HG21  VAL  67          HG21      VAL  67  -9.489  -6.556   0.029
  470   HG22  VAL  67          HG22      VAL  67  -9.580  -7.522  -1.457
  471   HG23  VAL  67          HG23      VAL  67  -8.360  -6.236  -1.309
  472    H    LYS  68           H        LYS  68 -11.698  -7.171  -4.050
  473    HA   LYS  68           HA       LYS  68  -9.768  -9.225  -4.403
  474    HB2  LYS  68           HB2      LYS  68 -12.504  -8.682  -5.612
  475    HB3  LYS  68           HB3      LYS  68 -11.598 -10.185  -5.887
  476    HG2  LYS  68           HG2      LYS  68 -11.580 -10.714  -3.533
  477    HG3  LYS  68           HG3      LYS  68 -12.201  -9.118  -3.103
  478    HD2  LYS  68           HD2      LYS  68 -13.992 -10.779  -2.958
  479    HD3  LYS  68           HD3      LYS  68 -14.329  -9.594  -4.229
  480    HE2  LYS  68           HE2      LYS  68 -14.903 -11.804  -5.012
  481    HE3  LYS  68           HE3      LYS  68 -13.516 -11.199  -5.935
  482    HZ1  LYS  68           HZ1      LYS  68 -12.093 -12.532  -4.521
  483    HZ2  LYS  68           HZ2      LYS  68 -13.389 -13.077  -3.665
  484    HZ3  LYS  68           HZ3      LYS  68 -13.222 -13.480  -5.249
  485    H    MET  69           H        MET  69 -11.088  -6.782  -6.718
  486    HA   MET  69           HA       MET  69  -9.600  -7.848  -8.944
  487    HB2  MET  69           HB2      MET  69 -11.128  -5.290  -8.418
  488    HB3  MET  69           HB3      MET  69 -10.216  -5.538  -9.913
  489    HG2  MET  69           HG2      MET  69 -11.435  -7.760 -10.167
  490    HG3  MET  69           HG3      MET  69 -12.493  -7.242  -8.853
  491    HE1  MET  69           HE1      MET  69 -12.351  -4.007  -9.714
  492    HE2  MET  69           HE2      MET  69 -13.932  -3.885 -10.514
  493    HE3  MET  69           HE3      MET  69 -13.773  -4.803  -8.997
  494    H    ALA  70           H        ALA  70  -8.805  -5.453  -6.422
  495    HA   ALA  70           HA       ALA  70  -6.557  -4.323  -7.826
  496    HB1  ALA  70           HB1      ALA  70  -5.917  -3.513  -5.592
  497    HB2  ALA  70           HB2      ALA  70  -7.646  -3.247  -5.892
  498    HB3  ALA  70           HB3      ALA  70  -7.124  -4.589  -4.848
  499    H    LEU  71           H        LEU  71  -7.061  -7.266  -5.911
  500    HA   LEU  71           HA       LEU  71  -4.229  -7.863  -5.657
  501    HB2  LEU  71           HB2      LEU  71  -6.725  -9.543  -5.233
  502    HB3  LEU  71           HB3      LEU  71  -5.086 -10.002  -4.737
  503    HG   LEU  71           HG       LEU  71  -6.465  -7.452  -3.807
  504   HD11  LEU  71          HD11      LEU  71  -6.886  -8.617  -1.692
  505   HD12  LEU  71          HD12      LEU  71  -7.728  -9.415  -3.038
  506   HD13  LEU  71          HD13      LEU  71  -6.226 -10.122  -2.380
  507   HD21  LEU  71          HD21      LEU  71  -4.040  -7.380  -3.681
  508   HD22  LEU  71          HD22      LEU  71  -4.781  -7.443  -2.069
  509   HD23  LEU  71          HD23      LEU  71  -4.029  -8.908  -2.761
  510    H    LYS  72           H        LYS  72  -6.643  -8.279  -8.134
  511    HA   LYS  72           HA       LYS  72  -5.480 -10.587  -9.405
  512    HB2  LYS  72           HB2      LYS  72  -7.164  -8.351 -10.577
  513    HB3  LYS  72           HB3      LYS  72  -6.786  -9.879 -11.383
  514    HG2  LYS  72           HG2      LYS  72  -8.333  -9.591  -8.791
  515    HG3  LYS  72           HG3      LYS  72  -9.037  -9.921 -10.377
  516    HD2  LYS  72           HD2      LYS  72  -7.873 -12.074 -10.490
  517    HD3  LYS  72           HD3      LYS  72  -7.044 -11.739  -8.948
  518    HE2  LYS  72           HE2      LYS  72  -9.179 -11.608  -7.777
  519    HE3  LYS  72           HE3      LYS  72 -10.059 -11.897  -9.293
  520    HZ1  LYS  72           HZ1      LYS  72  -8.985 -14.042  -9.430
  521    HZ2  LYS  72           HZ2      LYS  72  -8.178 -13.776  -8.020
  522    HZ3  LYS  72           HZ3      LYS  72  -9.817 -13.908  -8.017
  523    H    LYS  73           H        LYS  73  -4.181  -7.427  -9.104
  524    HA   LYS  73           HA       LYS  73  -2.393  -8.068 -11.369
  525    HB2  LYS  73           HB2      LYS  73  -2.301  -5.797 -12.080
  526    HB3  LYS  73           HB3      LYS  73  -4.004  -6.248 -12.010
  527    HG2  LYS  73           HG2      LYS  73  -2.749  -4.960  -9.584
  528    HG3  LYS  73           HG3      LYS  73  -2.986  -3.982 -11.018
  529    HD2  LYS  73           HD2      LYS  73  -5.163  -5.482  -9.534
  530    HD3  LYS  73           HD3      LYS  73  -4.841  -3.759  -9.444
  531    HE2  LYS  73           HE2      LYS  73  -5.831  -5.335 -11.854
  532    HE3  LYS  73           HE3      LYS  73  -6.709  -4.100 -10.939
  533    HZ1  LYS  73           HZ1      LYS  73  -4.342  -3.657 -12.631
  534    HZ2  LYS  73           HZ2      LYS  73  -5.891  -3.206 -12.956
  535    HZ3  LYS  73           HZ3      LYS  73  -5.063  -2.493 -11.721
  536    H    ASP  74           H        ASP  74  -2.350  -8.483  -8.487
  537    HA   ASP  74           HA       ASP  74  -0.700  -6.904  -6.993
  538    HB2  ASP  74           HB2      ASP  74  -0.289  -8.899  -5.679
  539    HB3  ASP  74           HB3      ASP  74  -1.971  -8.815  -6.226
  540    H    ARG  75           H        ARG  75   0.526  -8.068  -9.926
  541    HA   ARG  75           HA       ARG  75   3.241  -7.507  -8.956
  542    HB2  ARG  75           HB2      ARG  75   2.639 -10.019  -8.755
  543    HB3  ARG  75           HB3      ARG  75   2.705 -10.013 -10.534
  544    HG2  ARG  75           HG2      ARG  75   5.086  -9.202 -10.347
  545    HG3  ARG  75           HG3      ARG  75   4.954  -9.419  -8.577
  546    HD2  ARG  75           HD2      ARG  75   4.391 -11.763  -8.863
  547    HD3  ARG  75           HD3      ARG  75   4.327 -11.554 -10.625
  548    HE   ARG  75           HE       ARG  75   6.902 -10.754  -9.774
  549   HH11  ARG  75          HH11      ARG  75   4.962 -13.710  -9.834
  550   HH12  ARG  75          HH12      ARG  75   6.354 -14.761  -9.944
  551   HH21  ARG  75          HH21      ARG  75   8.700 -12.151  -9.929
  552   HH22  ARG  75          HH22      ARG  75   8.463 -13.881 -10.001
  553    H    GLU  76           H        GLU  76   0.951  -6.671 -11.058
  554    HA   GLU  76           HA       GLU  76   2.209  -7.051 -13.625
  555    HB2  GLU  76           HB2      GLU  76   0.039  -5.097 -12.806
  556    HB3  GLU  76           HB3      GLU  76   0.498  -5.532 -14.465
  557    HG2  GLU  76           HG2      GLU  76  -0.719  -7.287 -12.351
  558    HG3  GLU  76           HG3      GLU  76  -1.430  -6.805 -13.897
  559    H    SER  77           H        SER  77   1.876  -4.572 -14.800
  560    HA   SER  77           HA       SER  77   3.911  -2.795 -13.570
  561    HB2  SER  77           HB2      SER  77   5.225  -4.288 -14.948
  562    HB3  SER  77           HB3      SER  77   4.066  -4.153 -16.289
  563    HG   SER  77           HG       SER  77   5.918  -2.828 -16.564
  564    H    MET  78           H        MET  78   3.803  -0.647 -14.312
  565    HA   MET  78           HA       MET  78   1.243   0.210 -15.384
  566    HB2  MET  78           HB2      MET  78   3.845   1.672 -14.765
  567    HB3  MET  78           HB3      MET  78   2.350   2.476 -15.279
  568    HG2  MET  78           HG2      MET  78   1.154   1.577 -13.353
  569    HG3  MET  78           HG3      MET  78   2.596   0.696 -12.837
  570    HE1  MET  78           HE1      MET  78   0.774   2.792 -11.042
  571    HE2  MET  78           HE2      MET  78   2.038   1.671 -10.501
  572    HE3  MET  78           HE3      MET  78   2.130   3.393 -10.059
  573    H    GLY  79           H        GLY  79   4.083  -0.990 -16.803
  574    HA2  GLY  79           HA2      GLY  79   3.731  -1.312 -19.291
  575    HA3  GLY  79           HA3      GLY  79   3.585   0.458 -19.361
  576    H    HIS  80           H        HIS  80   5.723   0.304 -16.992
  577    HA   HIS  80           HA       HIS  80   8.112  -0.257 -18.645
  578    HB2  HIS  80           HB2      HIS  80   7.526   2.413 -17.322
  579    HB3  HIS  80           HB3      HIS  80   9.068   1.951 -18.052
  580    HD1  HIS  80           HD1      HIS  80   9.257   2.242 -20.675
  581    HD2  HIS  80           HD2      HIS  80   5.398   2.700 -19.080
  582    HE1  HIS  80           HE1      HIS  80   7.792   3.134 -22.565
  583    H    ARG  81           H        ARG  81   6.531  -0.364 -15.578
  584    HA   ARG  81           HA       ARG  81   8.965  -1.430 -14.386
  585    HB2  ARG  81           HB2      ARG  81   9.194   1.046 -14.082
  586    HB3  ARG  81           HB3      ARG  81   7.663   1.048 -13.197
  587    HG2  ARG  81           HG2      ARG  81   9.534   1.052 -11.640
  588    HG3  ARG  81           HG3      ARG  81   8.668  -0.484 -11.498
  589    HD2  ARG  81           HD2      ARG  81  10.391  -1.567 -12.933
  590    HD3  ARG  81           HD3      ARG  81  11.238  -0.012 -13.059
  591    HE   ARG  81           HE       ARG  81  10.770  -0.878 -10.310
  592   HH11  ARG  81          HH11      ARG  81  12.945  -1.187 -13.085
  593   HH12  ARG  81          HH12      ARG  81  14.329  -1.585 -12.097
  594   HH21  ARG  81          HH21      ARG  81  12.591  -1.349  -9.054
  595   HH22  ARG  81          HH22      ARG  81  14.125  -1.703  -9.816
  596    H    TYR  82           H        TYR  82   8.634  -2.640 -12.593
  597    HA   TYR  82           HA       TYR  82   6.096  -3.963 -12.377
  598    HB2  TYR  82           HB2      TYR  82   8.097  -5.196 -12.392
  599    HB3  TYR  82           HB3      TYR  82   8.873  -4.110 -11.261
  600    HD1  TYR  82           HD1      TYR  82   5.570  -5.950 -10.639
  601    HD2  TYR  82           HD2      TYR  82   9.790  -5.509  -9.809
  602    HE1  TYR  82           HE1      TYR  82   5.368  -7.438  -8.702
  603    HE2  TYR  82           HE2      TYR  82   9.592  -7.091  -7.928
  604    HH   TYR  82           HH       TYR  82   8.169  -8.424  -6.703
  605    H    ILE  83           H        ILE  83   4.643  -4.039 -10.873
  606    HA   ILE  83           HA       ILE  83   4.785  -2.158  -8.578
  607    HB   ILE  83           HB       ILE  83   2.320  -2.803 -10.237
  608   HG12  ILE  83          HG12      ILE  83   3.869  -1.548 -11.669
  609   HG13  ILE  83          HG13      ILE  83   2.419  -0.634 -11.254
  610   HG21  ILE  83          HG21      ILE  83   2.883  -0.770  -8.043
  611   HG22  ILE  83          HG22      ILE  83   1.456  -0.700  -9.100
  612   HG23  ILE  83          HG23      ILE  83   1.688  -2.085  -8.032
  613   HD11  ILE  83          HD11      ILE  83   5.155  -0.282  -9.966
  614   HD12  ILE  83          HD12      ILE  83   4.384   0.794 -11.154
  615   HD13  ILE  83          HD13      ILE  83   3.687   0.625  -9.533
  616    H    GLU  84           H        GLU  84   3.128  -2.830  -6.875
  617    HA   GLU  84           HA       GLU  84   2.422  -5.703  -6.956
  618    HB2  GLU  84           HB2      GLU  84   4.445  -4.351  -5.214
  619    HB3  GLU  84           HB3      GLU  84   3.348  -5.506  -4.429
  620    HG2  GLU  84           HG2      GLU  84   3.978  -7.188  -6.215
  621    HG3  GLU  84           HG3      GLU  84   5.223  -6.043  -6.755
  622    H    VAL  85           H        VAL  85   0.798  -6.291  -5.467
  623    HA   VAL  85           HA       VAL  85  -0.499  -4.109  -3.944
  624    HB   VAL  85           HB       VAL  85  -2.123  -5.980  -5.704
  625   HG11  VAL  85          HG11      VAL  85  -2.721  -3.354  -4.280
  626   HG12  VAL  85          HG12      VAL  85  -3.870  -4.273  -5.269
  627   HG13  VAL  85          HG13      VAL  85  -3.256  -4.970  -3.758
  628   HG21  VAL  85          HG21      VAL  85  -2.482  -4.048  -7.214
  629   HG22  VAL  85          HG22      VAL  85  -1.234  -3.143  -6.325
  630   HG23  VAL  85          HG23      VAL  85  -0.801  -4.612  -7.241
  631    H    PHE  86           H        PHE  86  -1.398  -4.841  -2.053
  632    HA   PHE  86           HA       PHE  86  -1.280  -7.782  -1.545
  633    HB2  PHE  86           HB2      PHE  86   0.767  -6.363  -0.867
  634    HB3  PHE  86           HB3      PHE  86  -0.257  -5.692   0.392
  635    HD1  PHE  86           HD1      PHE  86  -1.196  -7.328   2.148
  636    HD2  PHE  86           HD2      PHE  86   1.876  -8.409  -0.647
  637    HE1  PHE  86           HE1      PHE  86  -0.502  -9.186   3.625
  638    HE2  PHE  86           HE2      PHE  86   2.573 -10.262   0.791
  639    HZ   PHE  86           HZ       PHE  86   1.387 -10.670   2.959
  640    H    LYS  87           H        LYS  87  -2.676  -8.470   0.200
  641    HA   LYS  87           HA       LYS  87  -5.123  -6.909   0.198
  642    HB2  LYS  87           HB2      LYS  87  -4.953  -9.388  -0.047
  643    HB3  LYS  87           HB3      LYS  87  -4.463  -9.501   1.655
  644    HG2  LYS  87           HG2      LYS  87  -6.592  -8.447   2.324
  645    HG3  LYS  87           HG3      LYS  87  -7.036  -8.259   0.610
  646    HD2  LYS  87           HD2      LYS  87  -6.897 -10.752   0.349
  647    HD3  LYS  87           HD3      LYS  87  -6.588 -10.884   2.096
  648    HE2  LYS  87           HE2      LYS  87  -8.764  -9.723   2.522
  649    HE3  LYS  87           HE3      LYS  87  -9.066  -9.698   0.773
  650    HZ1  LYS  87           HZ1      LYS  87  -8.735 -12.098   2.443
  651    HZ2  LYS  87           HZ2      LYS  87 -10.145 -11.560   1.782
  652    HZ3  LYS  87           HZ3      LYS  87  -8.936 -12.122   0.813
  653    H    SER  88           H        SER  88  -6.157  -5.959   1.920
  654    HA   SER  88           HA       SER  88  -4.723  -5.812   4.514
  655    HB2  SER  88           HB2      SER  88  -3.944  -3.922   3.095
  656    HB3  SER  88           HB3      SER  88  -5.621  -3.359   2.965
  657    HG   SER  88           HG       SER  88  -4.400  -2.354   4.664
  658    H    HIS  89           H        HIS  89  -6.182  -4.181   5.940
  659    HA   HIS  89           HA       HIS  89  -9.041  -4.840   5.672
  660    HB2  HIS  89           HB2      HIS  89  -8.972  -5.894   7.994
  661    HB3  HIS  89           HB3      HIS  89  -8.252  -6.851   6.696
  662    HD1  HIS  89           HD1      HIS  89  -7.251  -5.021   9.888
  663    HD2  HIS  89           HD2      HIS  89  -5.570  -7.166   6.691
  664    HE1  HIS  89           HE1      HIS  89  -4.820  -5.508  10.528
  665    H    ARG  90           H        ARG  90  -6.838  -2.576   6.158
  666    HA   ARG  90           HA       ARG  90  -7.097  -0.405   6.689
  667    HB2  ARG  90           HB2      ARG  90  -9.553  -0.846   6.230
  668    HB3  ARG  90           HB3      ARG  90  -9.767  -1.022   7.981
  669    HG2  ARG  90           HG2      ARG  90  -8.867   1.267   8.319
  670    HG3  ARG  90           HG3      ARG  90  -8.627   1.423   6.565
  671    HD2  ARG  90           HD2      ARG  90 -10.693   2.535   7.210
  672    HD3  ARG  90           HD3      ARG  90 -11.068   1.110   6.221
  673    HE   ARG  90           HE       ARG  90 -11.120   0.303   8.929
  674   HH11  ARG  90          HH11      ARG  90 -12.899   2.467   6.776
  675   HH12  ARG  90          HH12      ARG  90 -14.400   2.309   7.658
  676   HH21  ARG  90          HH21      ARG  90 -13.094   0.110  10.064
  677   HH22  ARG  90          HH22      ARG  90 -14.508   0.976   9.513
  678    H    THR  91           H        THR  91  -7.678  -2.795   9.270
  679    HA   THR  91           HA       THR  91  -7.182  -0.975  11.437
  680    HB   THR  91           HB       THR  91  -6.649  -3.969  11.292
  681    HG1  THR  91           HG1      THR  91  -8.752  -4.079  12.179
  682   HG21  THR  91          HG21      THR  91  -5.604  -2.898  13.231
  683   HG22  THR  91          HG22      THR  91  -7.130  -2.075  13.628
  684   HG23  THR  91          HG23      THR  91  -7.013  -3.849  13.748
  685    H    GLU  92           H        GLU  92  -5.050  -3.033   9.406
  686    HA   GLU  92           HA       GLU  92  -2.612  -2.336  10.794
  687    HB2  GLU  92           HB2      GLU  92  -2.924  -4.301   9.248
  688    HB3  GLU  92           HB3      GLU  92  -3.052  -3.152   7.892
  689    HG2  GLU  92           HG2      GLU  92  -0.792  -2.277   8.460
  690    HG3  GLU  92           HG3      GLU  92  -0.676  -3.447   9.782
  691    H    MET  93           H        MET  93  -4.420  -0.976   8.026
  692    HA   MET  93           HA       MET  93  -2.447   0.863   7.177
  693    HB2  MET  93           HB2      MET  93  -4.427   0.192   5.885
  694    HB3  MET  93           HB3      MET  93  -5.488   1.016   7.035
  695    HG2  MET  93           HG2      MET  93  -3.289   2.446   5.516
  696    HG3  MET  93           HG3      MET  93  -4.913   2.242   4.860
  697    HE1  MET  93           HE1      MET  93  -7.163   4.369   7.179
  698    HE2  MET  93           HE2      MET  93  -7.064   3.287   5.771
  699    HE3  MET  93           HE3      MET  93  -6.815   2.642   7.410
  700    H    ASP  94           H        ASP  94  -5.100   1.188   9.588
  701    HA   ASP  94           HA       ASP  94  -4.696   3.960  10.104
  702    HB2  ASP  94           HB2      ASP  94  -6.711   2.596  10.644
  703    HB3  ASP  94           HB3      ASP  94  -5.782   1.783  11.907
  704    H    TRP  95           H        TRP  95  -3.133   1.042  11.297
  705    HA   TRP  95           HA       TRP  95  -2.038   2.220  13.697
  706    HB2  TRP  95           HB2      TRP  95  -2.458  -0.178  13.443
  707    HB3  TRP  95           HB3      TRP  95  -1.310  -0.265  12.116
  708    HD1  TRP  95           HD1      TRP  95  -1.378   0.386  15.910
  709    HE1  TRP  95           HE1      TRP  95   0.866  -0.270  16.928
  710    HE3  TRP  95           HE3      TRP  95   1.136  -0.758  11.612
  711    HZ2  TRP  95           HZ2      TRP  95   3.458  -1.172  15.988
  712    HZ3  TRP  95           HZ3      TRP  95   3.495  -1.488  11.699
  713    HH2  TRP  95           HH2      TRP  95   4.668  -1.699  13.877
  714    H    VAL  96           H        VAL  96  -0.460   1.235  10.569
  715    HA   VAL  96           HA       VAL  96   2.070   2.366  11.411
  716    HB   VAL  96           HB       VAL  96   1.994   0.442   9.962
  717   HG11  VAL  96          HG11      VAL  96   1.290   0.723   7.599
  718   HG12  VAL  96          HG12      VAL  96  -0.031   0.702   8.783
  719   HG13  VAL  96          HG13      VAL  96   0.495   2.251   8.070
  720   HG21  VAL  96          HG21      VAL  96   3.897   2.037   9.747
  721   HG22  VAL  96          HG22      VAL  96   3.552   1.153   8.246
  722   HG23  VAL  96          HG23      VAL  96   3.033   2.843   8.417
  723    H    LEU  97           H        LEU  97  -0.719   3.709   9.655
  724    HA   LEU  97           HA       LEU  97   0.720   5.989   8.635
  725    HB2  LEU  97           HB2      LEU  97  -2.081   5.062   8.899
  726    HB3  LEU  97           HB3      LEU  97  -1.906   6.807   9.033
  727    HG   LEU  97           HG       LEU  97  -2.426   6.182   6.768
  728   HD11  LEU  97          HD11      LEU  97  -0.653   7.356   5.599
  729   HD12  LEU  97          HD12      LEU  97  -0.939   8.128   7.174
  730   HD13  LEU  97          HD13      LEU  97   0.477   7.078   6.939
  731   HD21  LEU  97          HD21      LEU  97  -1.512   3.923   6.689
  732   HD22  LEU  97          HD22      LEU  97  -0.882   4.909   5.361
  733   HD23  LEU  97          HD23      LEU  97   0.149   4.571   6.775
  734    H    LYS  98           H        LYS  98   0.122   5.069  11.843
  735    HA   LYS  98           HA       LYS  98   0.221   7.883  12.787
  736    HB2  LYS  98           HB2      LYS  98  -1.700   5.723  13.711
  737    HB3  LYS  98           HB3      LYS  98  -1.487   7.317  14.462
  738    HG2  LYS  98           HG2      LYS  98  -2.127   8.405  12.314
  739    HG3  LYS  98           HG3      LYS  98  -2.398   6.799  11.597
  740    HD2  LYS  98           HD2      LYS  98  -4.075   6.304  13.339
  741    HD3  LYS  98           HD3      LYS  98  -3.833   7.933  14.021
  742    HE2  LYS  98           HE2      LYS  98  -4.629   8.972  11.977
  743    HE3  LYS  98           HE3      LYS  98  -4.655   7.409  11.133
  744    HZ1  LYS  98           HZ1      LYS  98  -6.347   8.081  13.444
  745    HZ2  LYS  98           HZ2      LYS  98  -6.838   8.102  11.873
  746    HZ3  LYS  98           HZ3      LYS  98  -6.386   6.683  12.568
  747    H    HIS  99           H        HIS  99   1.891   5.080  12.738
  748    HA   HIS  99           HA       HIS  99   3.007   5.531  15.419
  749    HB2  HIS  99           HB2      HIS  99   1.073   3.914  15.638
  750    HB3  HIS  99           HB3      HIS  99   1.965   2.793  14.603
  751    HD1  HIS  99           HD1      HIS  99   3.458   1.139  15.945
  752    HD2  HIS  99           HD2      HIS  99   2.590   4.719  17.968
  753    HE1  HIS  99           HE1      HIS  99   4.473   0.920  18.278
  754    H    SER 100           H        SER 100   3.678   5.373  12.286
  755    HA   SER 100           HA       SER 100   5.633   3.356  11.959
  756    HB2  SER 100           HB2      SER 100   6.484   4.795  10.147
  757    HB3  SER 100           HB3      SER 100   4.713   4.671  10.100
  758    HG   SER 100           HG       SER 100   5.623   6.837   9.887
  759    H    GLY 101           H        GLY 101   7.952   3.518  11.890
  760    HA2  GLY 101           HA2      GLY 101   9.444   5.654  12.950
  761    HA3  GLY 101           HA3      GLY 101   9.106   4.532  14.280
  762    HA   PRO 102           HA       PRO 102  13.061   3.421  11.854
  763    HB2  PRO 102           HB2      PRO 102  13.789   3.167  14.773
  764    HB3  PRO 102           HB3      PRO 102  14.833   3.653  13.394
  765    HG2  PRO 102           HG2      PRO 102  13.798   5.546  15.023
  766    HG3  PRO 102           HG3      PRO 102  13.754   5.784  13.242
  767    HD2  PRO 102           HD2      PRO 102  11.529   4.863  15.071
  768    HD3  PRO 102           HD3      PRO 102  11.464   6.020  13.705
  769    H5'    A   1           H5'        A   1  19.593   1.337   0.075
  770   H5''    A   1          H5''        A   1  18.053   2.164  -0.254
  771    H4'    A   1           H4'        A   1  18.327   0.303   2.114
  772    H3'    A   1           H3'        A   1  17.657  -0.457  -0.750
  773    H2'    A   1           H2'        A   1  16.306  -2.138   0.216
  774   HO2'    A   1          HO2'        A   1  17.870  -2.958   1.673
  775    H1'    A   1           H1'        A   1  15.825  -0.564   2.564
  776    H8     A   1           H8         A   1  14.322  -2.651   1.070
  777    H61    A   1           H61        A   1   9.598   0.779  -1.074
  778    H62    A   1           H62        A   1  10.109  -0.848  -0.667
  779    H2     A   1           H2         A   1  13.005   3.475  -0.169
  780   HO5'    A   1          HO5'        A   1  18.144   3.018   1.861
  781    H5'    G   2           H5'        G   2  18.774  -4.432  -2.547
  782   H5''    G   2          H5''        G   2  18.552  -3.229  -3.829
  783    H4'    G   2           H4'        G   2  16.668  -3.407  -1.438
  784    H3'    G   2           H3'        G   2  16.510  -4.713  -4.176
  785    H2'    G   2           H2'        G   2  14.130  -4.488  -3.951
  786   HO2'    G   2          HO2'        G   2  14.205  -5.293  -1.696
  787    H1'    G   2           H1'        G   2  14.349  -2.107  -2.419
  788    H8     G   2           H8         G   2  16.154  -1.942  -5.724
  789    H1     G   2           H1         G   2  10.046  -0.099  -5.984
  790    H21    G   2           H21        G   2   8.987  -0.673  -4.129
  791    H22    G   2           H22        G   2   9.781  -1.587  -2.866
  792    H5'    G   3           H5'        G   3  13.489  -6.824  -2.128
  793   H5''    G   3          H5''        G   3  13.817  -8.548  -2.395
  794    H4'    G   3           H4'        G   3  11.563  -8.103  -3.142
  795    H3'    G   3           H3'        G   3  13.658  -8.860  -5.083
  796    H2'    G   3           H2'        G   3  12.919  -7.429  -6.673
  797   HO2'    G   3          HO2'        G   3  11.776  -9.341  -7.323
  798    H1'    G   3           H1'        G   3  10.285  -7.046  -5.233
  799    H8     G   3           H8         G   3  13.270  -5.269  -6.988
  800    H1     G   3           H1         G   3   7.473  -2.738  -8.097
  801    H21    G   3           H21        G   3   6.020  -3.540  -6.605
  802    H22    G   3           H22        G   3   6.485  -4.792  -5.470
  803    H5'    G   4           H5'        G   4  13.130 -10.439  -0.974
  804   H5''    G   4          H5''        G   4  12.486 -12.075  -1.184
  805    H4'    G   4           H4'        G   4  11.759 -11.144   0.952
  806    H3'    G   4           H3'        G   4  10.110 -12.483  -0.723
  807    H2'    G   4           H2'        G   4   9.355 -10.591  -1.956
  808   HO2'    G   4          HO2'        G   4   7.487 -11.616  -0.903
  809    H1'    G   4           H1'        G   4   8.958  -9.028   0.559
  810    H8     G   4           H8         G   4   8.172  -8.952  -2.730
  811    H1     G   4           H1         G   4  11.261  -3.459  -1.535
  812    H21    G   4           H21        G   4  12.340  -3.610   0.403
  813    H22    G   4           H22        G   4  12.335  -5.083   1.356
  814    H5'    A   5           H5'        A   5   6.371 -11.692   1.420
  815   H5''    A   5          H5''        A   5   5.907 -13.249   2.125
  816    H4'    A   5           H4'        A   5   4.149 -12.277   0.663
  817    H3'    A   5           H3'        A   5   4.648 -14.935   0.712
  818    H2'    A   5           H2'        A   5   6.515 -14.786  -0.848
  819   HO2'    A   5          HO2'        A   5   5.034 -16.430  -1.545
  820    H1'    A   5           H1'        A   5   4.675 -13.212  -2.661
  821    H8     A   5           H8         A   5   8.333 -13.730  -1.501
  822    H61    A   5           H61        A   5   9.813 -11.223  -6.985
  823    H62    A   5           H62        A   5  10.449 -12.002  -5.548
  824    H2     A   5           H2         A   5   5.405 -10.904  -6.452
  825    H5'    U   6           H5'        U   6   1.462 -11.598  -0.207
  826   H5''    U   6          H5''        U   6  -0.273 -11.738  -0.536
  827    H4'    U   6           H4'        U   6   0.184 -11.993  -2.943
  828    H3'    U   6           H3'        U   6   3.027 -12.116  -1.952
  829   HO3'    U   6          HO3'        U   6   2.046 -14.071  -2.609
  830    H2'    U   6           H2'        U   6   3.775 -11.029  -3.889
  831   HO2'    U   6          HO2'        U   6   2.407 -12.320  -5.337
  832    H1'    U   6           H1'        U   6   1.686  -9.275  -4.139
  833    H3     U   6           H3         U   6   3.719  -5.848  -1.991
  834    H5     U   6           H5         U   6   5.896  -9.243  -0.839
  835    H6     U   6           H6         U   6   4.329 -10.599  -2.019
  Start of MODEL    5
    1    H    MET   1           H        MET   1  -9.946 -12.215  12.288
    2    HA   MET   1           HA       MET   1 -10.531 -12.816  10.065
    3    HB2  MET   1           HB2      MET   1  -8.151 -12.502  10.699
    4    HB3  MET   1           HB3      MET   1  -8.027 -14.240  11.040
    5    HG2  MET   1           HG2      MET   1  -8.601 -14.741   8.687
    6    HG3  MET   1           HG3      MET   1  -8.809 -13.016   8.365
    7    HE1  MET   1           HE1      MET   1  -4.769 -15.123   9.206
    8    HE2  MET   1           HE2      MET   1  -5.992 -14.899  10.477
    9    HE3  MET   1           HE3      MET   1  -6.345 -15.939   9.075
   10    H    MET   2           H        MET   2 -12.059 -14.112   9.252
   11    HA   MET   2           HA       MET   2 -11.644 -17.007   9.251
   12    HB2  MET   2           HB2      MET   2 -12.791 -16.392  11.443
   13    HB3  MET   2           HB3      MET   2 -14.185 -15.866  10.485
   14    HG2  MET   2           HG2      MET   2 -14.428 -18.145   9.581
   15    HG3  MET   2           HG3      MET   2 -12.940 -18.641  10.391
   16    HE1  MET   2           HE1      MET   2 -16.684 -17.601  10.767
   17    HE2  MET   2           HE2      MET   2 -16.927 -17.628  12.531
   18    HE3  MET   2           HE3      MET   2 -15.900 -16.378  11.797
   19    H    LEU   3           H        LEU   3 -12.340 -14.292   7.596
   20    HA   LEU   3           HA       LEU   3 -14.087 -15.716   5.680
   21    HB2  LEU   3           HB2      LEU   3 -15.431 -14.273   7.240
   22    HB3  LEU   3           HB3      LEU   3 -14.542 -12.866   6.653
   23    HG   LEU   3           HG       LEU   3 -15.480 -13.192   4.393
   24   HD11  LEU   3          HD11      LEU   3 -16.884 -15.598   5.636
   25   HD12  LEU   3          HD12      LEU   3 -17.254 -14.908   4.041
   26   HD13  LEU   3          HD13      LEU   3 -15.669 -15.645   4.336
   27   HD21  LEU   3          HD21      LEU   3 -17.586 -13.355   6.586
   28   HD22  LEU   3          HD22      LEU   3 -16.742 -11.880   6.054
   29   HD23  LEU   3          HD23      LEU   3 -17.833 -12.731   4.938
   30    H    GLY   4           H        GLY   4 -11.148 -14.501   6.120
   31    HA2  GLY   4           HA2      GLY   4 -10.705 -14.022   3.321
   32    HA3  GLY   4           HA3      GLY   4 -10.652 -12.509   4.239
   33    HA   PRO   5           HA       PRO   5  -7.080 -14.929   6.249
   34    HB2  PRO   5           HB2      PRO   5  -6.630 -17.576   5.711
   35    HB3  PRO   5           HB3      PRO   5  -7.808 -17.016   6.946
   36    HG2  PRO   5           HG2      PRO   5  -8.364 -17.797   4.066
   37    HG3  PRO   5           HG3      PRO   5  -9.205 -18.372   5.547
   38    HD2  PRO   5           HD2      PRO   5 -10.206 -16.340   4.044
   39    HD3  PRO   5           HD3      PRO   5 -10.293 -16.291   5.834
   40    H    GLU   6           H        GLU   6  -7.852 -14.863   2.964
   41    HA   GLU   6           HA       GLU   6  -5.371 -15.718   1.805
   42    HB2  GLU   6           HB2      GLU   6  -7.512 -13.800   0.799
   43    HB3  GLU   6           HB3      GLU   6  -6.211 -14.486  -0.189
   44    HG2  GLU   6           HG2      GLU   6  -8.381 -16.079   1.244
   45    HG3  GLU   6           HG3      GLU   6  -8.337 -15.712  -0.485
   46    H    GLY   7           H        GLY   7  -6.242 -12.847   3.593
   47    HA2  GLY   7           HA2      GLY   7  -3.746 -11.869   3.963
   48    HA3  GLY   7           HA3      GLY   7  -4.140 -11.217   2.364
   49    H    GLY   8           H        GLY   8  -7.144 -11.203   3.580
   50    HA2  GLY   8           HA2      GLY   8  -7.126  -9.182   5.577
   51    HA3  GLY   8           HA3      GLY   8  -7.176  -8.400   3.993
   52    H    GLU   9           H        GLU   9  -9.264  -7.849   5.486
   53    HA   GLU   9           HA       GLU   9 -11.494  -9.526   4.480
   54    HB2  GLU   9           HB2      GLU   9 -11.023  -8.752   7.388
   55    HB3  GLU   9           HB3      GLU   9 -12.516  -9.467   6.749
   56    HG2  GLU   9           HG2      GLU   9 -11.227 -11.444   5.979
   57    HG3  GLU   9           HG3      GLU   9  -9.762 -10.767   6.713
   58    H    GLY  10           H        GLY  10 -10.295  -6.715   4.013
   59    HA2  GLY  10           HA2      GLY  10 -12.863  -5.243   4.358
   60    HA3  GLY  10           HA3      GLY  10 -11.322  -4.496   4.791
   61    H    PHE  11           H        PHE  11 -12.868  -3.248   2.967
   62    HA   PHE  11           HA       PHE  11 -12.050  -4.001   0.254
   63    HB2  PHE  11           HB2      PHE  11 -13.570  -1.539   1.130
   64    HB3  PHE  11           HB3      PHE  11 -13.515  -2.248  -0.477
   65    HD1  PHE  11           HD1      PHE  11 -13.819  -5.208   0.729
   66    HD2  PHE  11           HD2      PHE  11 -16.004  -1.522   1.135
   67    HE1  PHE  11           HE1      PHE  11 -15.870  -6.480   1.265
   68    HE2  PHE  11           HE2      PHE  11 -18.060  -2.804   1.661
   69    HZ   PHE  11           HZ       PHE  11 -17.996  -5.287   1.733
   70    H    VAL  12           H        VAL  12  -9.866  -3.574   1.799
   71    HA   VAL  12           HA       VAL  12  -8.749  -0.999   0.781
   72    HB   VAL  12           HB       VAL  12  -8.391  -2.251   3.542
   73   HG11  VAL  12          HG11      VAL  12  -6.289  -1.237   2.775
   74   HG12  VAL  12          HG12      VAL  12  -7.151   0.264   2.354
   75   HG13  VAL  12          HG13      VAL  12  -7.027  -0.257   4.049
   76   HG21  VAL  12          HG21      VAL  12  -9.369  -0.091   4.333
   77   HG22  VAL  12          HG22      VAL  12  -9.701   0.348   2.644
   78   HG23  VAL  12          HG23      VAL  12 -10.514  -1.057   3.378
   79    H    VAL  13           H        VAL  13  -6.530  -1.153   0.200
   80    HA   VAL  13           HA       VAL  13  -5.325  -3.869   0.404
   81    HB   VAL  13           HB       VAL  13  -4.586  -3.748  -1.944
   82   HG11  VAL  13          HG11      VAL  13  -6.594  -5.038  -1.286
   83   HG12  VAL  13          HG12      VAL  13  -7.609  -3.619  -1.646
   84   HG13  VAL  13          HG13      VAL  13  -6.696  -4.419  -2.946
   85   HG21  VAL  13          HG21      VAL  13  -5.704  -2.223  -3.519
   86   HG22  VAL  13          HG22      VAL  13  -6.539  -1.420  -2.173
   87   HG23  VAL  13          HG23      VAL  13  -4.768  -1.313  -2.315
   88    H    LYS  14           H        LYS  14  -3.093  -3.973   0.036
   89    HA   LYS  14           HA       LYS  14  -1.609  -1.552   0.837
   90    HB2  LYS  14           HB2      LYS  14  -0.455  -4.294   0.258
   91    HB3  LYS  14           HB3      LYS  14   0.168  -3.035   1.338
   92    HG2  LYS  14           HG2      LYS  14  -1.877  -3.420   2.803
   93    HG3  LYS  14           HG3      LYS  14  -2.292  -4.787   1.753
   94    HD2  LYS  14           HD2      LYS  14   0.016  -5.743   2.236
   95    HD3  LYS  14           HD3      LYS  14   0.199  -4.472   3.470
   96    HE2  LYS  14           HE2      LYS  14  -1.960  -5.310   4.506
   97    HE3  LYS  14           HE3      LYS  14  -1.942  -6.631   3.327
   98    HZ1  LYS  14           HZ1      LYS  14   0.103  -6.084   5.368
   99    HZ2  LYS  14           HZ2      LYS  14  -0.976  -7.320   5.383
  100    HZ3  LYS  14           HZ3      LYS  14   0.208  -7.284   4.236
  101    H    LEU  15           H        LEU  15   0.312  -0.890  -0.410
  102    HA   LEU  15           HA       LEU  15   0.458  -1.863  -3.203
  103    HB2  LEU  15           HB2      LEU  15  -0.976   0.288  -2.739
  104    HB3  LEU  15           HB3      LEU  15   0.579   1.073  -2.459
  105    HG   LEU  15           HG       LEU  15  -0.019   1.517  -4.673
  106   HD11  LEU  15          HD11      LEU  15   1.811  -0.890  -4.961
  107   HD12  LEU  15          HD12      LEU  15   1.672   0.490  -6.064
  108   HD13  LEU  15          HD13      LEU  15   2.352   0.728  -4.438
  109   HD21  LEU  15          HD21      LEU  15  -0.593  -1.450  -4.997
  110   HD22  LEU  15          HD22      LEU  15  -1.802  -0.154  -4.889
  111   HD23  LEU  15          HD23      LEU  15  -0.714  -0.236  -6.294
  112    H    ARG  16           H        ARG  16   2.591  -2.315  -3.630
  113    HA   ARG  16           HA       ARG  16   4.677  -0.940  -1.984
  114    HB2  ARG  16           HB2      ARG  16   4.860  -3.890  -2.590
  115    HB3  ARG  16           HB3      ARG  16   5.728  -2.940  -1.384
  116    HG2  ARG  16           HG2      ARG  16   3.518  -2.655  -0.153
  117    HG3  ARG  16           HG3      ARG  16   2.790  -3.753  -1.342
  118    HD2  ARG  16           HD2      ARG  16   3.385  -5.044   0.600
  119    HD3  ARG  16           HD3      ARG  16   4.489  -5.482  -0.716
  120    HE   ARG  16           HE       ARG  16   5.475  -3.354   1.042
  121   HH11  ARG  16          HH11      ARG  16   5.344  -6.836   0.472
  122   HH12  ARG  16          HH12      ARG  16   6.728  -7.179   1.480
  123   HH21  ARG  16          HH21      ARG  16   7.264  -3.799   2.336
  124   HH22  ARG  16          HH22      ARG  16   7.840  -5.445   2.525
  125    H    GLY  17           H        GLY  17   6.891  -1.150  -2.966
  126    HA2  GLY  17           HA2      GLY  17   8.266  -1.899  -4.811
  127    HA3  GLY  17           HA3      GLY  17   6.839  -1.881  -5.858
  128    H    LEU  18           H        LEU  18   7.766  -0.596  -7.386
  129    HA   LEU  18           HA       LEU  18   8.596   1.218  -8.431
  130    HB2  LEU  18           HB2      LEU  18   7.108   3.170  -8.281
  131    HB3  LEU  18           HB3      LEU  18   6.332   1.636  -8.655
  132    HG   LEU  18           HG       LEU  18   6.373   2.582  -5.782
  133   HD11  LEU  18          HD11      LEU  18   4.291   3.825  -6.244
  134   HD12  LEU  18          HD12      LEU  18   5.680   4.516  -7.115
  135   HD13  LEU  18          HD13      LEU  18   4.496   3.511  -7.986
  136   HD21  LEU  18          HD21      LEU  18   5.418   0.303  -6.468
  137   HD22  LEU  18          HD22      LEU  18   4.262   1.394  -5.679
  138   HD23  LEU  18          HD23      LEU  18   4.229   1.189  -7.440
  139    HA   PRO  19           HA       PRO  19  11.415   2.980  -5.352
  140    HB2  PRO  19           HB2      PRO  19  13.542   3.331  -7.014
  141    HB3  PRO  19           HB3      PRO  19  13.088   1.749  -6.303
  142    HG2  PRO  19           HG2      PRO  19  12.420   2.815  -9.057
  143    HG3  PRO  19           HG3      PRO  19  13.076   1.204  -8.619
  144    HD2  PRO  19           HD2      PRO  19  10.419   1.635  -9.062
  145    HD3  PRO  19           HD3      PRO  19  10.976   0.480  -7.813
  146    H    TRP  20           H        TRP  20  10.828   6.455  -6.106
  147    HA   TRP  20           HA       TRP  20  10.424   4.107  -4.332
  148    HB2  TRP  20           HB2      TRP  20  11.960   6.619  -3.606
  149    HB3  TRP  20           HB3      TRP  20  11.614   5.259  -2.545
  150    HD1  TRP  20           HD1      TRP  20  13.869   6.308  -5.431
  151    HE1  TRP  20           HE1      TRP  20  15.880   4.753  -5.589
  152    HE3  TRP  20           HE3      TRP  20  12.430   2.775  -2.012
  153    HZ2  TRP  20           HZ2      TRP  20  16.804   2.293  -4.303
  154    HZ3  TRP  20           HZ3      TRP  20  13.957   0.910  -1.455
  155    HH2  TRP  20           HH2      TRP  20  16.110   0.670  -2.595
  156    H    SER  21           H        SER  21   9.086   6.731  -5.804
  157    HA   SER  21           HA       SER  21   6.893   6.805  -3.886
  158    HB2  SER  21           HB2      SER  21   6.974   9.251  -3.580
  159    HB3  SER  21           HB3      SER  21   8.424   8.477  -2.910
  160    HG   SER  21           HG       SER  21   8.919  10.320  -4.183
  161    H    CYS  22           H        CYS  22   5.087   8.183  -4.736
  162    HA   CYS  22           HA       CYS  22   5.171   8.973  -7.547
  163    HB2  CYS  22           HB2      CYS  22   3.322   7.475  -8.144
  164    HB3  CYS  22           HB3      CYS  22   4.740   6.529  -7.649
  165    HG   CYS  22           HG       CYS  22   2.083   7.403  -5.874
  166    H    SER  23           H        SER  23   2.577   9.426  -8.057
  167    HA   SER  23           HA       SER  23   1.595  11.021  -5.726
  168    HB2  SER  23           HB2      SER  23   1.057  11.354  -8.702
  169    HB3  SER  23           HB3      SER  23   0.414  12.377  -7.399
  170    HG   SER  23           HG       SER  23   3.147  12.003  -8.093
  171    H    VAL  24           H        VAL  24  -0.840  11.199  -5.630
  172    HA   VAL  24           HA       VAL  24  -1.877   8.571  -5.403
  173    HB   VAL  24           HB       VAL  24  -3.597   9.508  -4.305
  174   HG11  VAL  24          HG11      VAL  24  -1.944  12.048  -4.598
  175   HG12  VAL  24          HG12      VAL  24  -3.113  11.686  -3.319
  176   HG13  VAL  24          HG13      VAL  24  -1.620  10.731  -3.435
  177   HG21  VAL  24          HG21      VAL  24  -3.768  11.737  -6.342
  178   HG22  VAL  24          HG22      VAL  24  -4.828  10.304  -6.194
  179   HG23  VAL  24          HG23      VAL  24  -4.821  11.524  -4.917
  180    H    GLU  25           H        GLU  25  -1.671  10.698  -8.104
  181    HA   GLU  25           HA       GLU  25  -3.988   9.681  -9.529
  182    HB2  GLU  25           HB2      GLU  25  -1.564  11.259 -10.471
  183    HB3  GLU  25           HB3      GLU  25  -3.058  10.966 -11.386
  184    HG2  GLU  25           HG2      GLU  25  -4.341  12.111  -9.544
  185    HG3  GLU  25           HG3      GLU  25  -2.801  12.499  -8.763
  186    H    ASP  26           H        ASP  26  -0.602   8.732  -9.150
  187    HA   ASP  26           HA       ASP  26  -0.569   7.127 -11.600
  188    HB2  ASP  26           HB2      ASP  26   1.296   7.175  -9.192
  189    HB3  ASP  26           HB3      ASP  26   1.622   6.386 -10.744
  190    H    VAL  27           H        VAL  27  -1.012   6.607  -8.082
  191    HA   VAL  27           HA       VAL  27  -1.040   3.737  -8.326
  192    HB   VAL  27           HB       VAL  27  -0.437   4.935  -6.268
  193   HG11  VAL  27          HG11      VAL  27  -2.083   6.758  -6.405
  194   HG12  VAL  27          HG12      VAL  27  -3.393   5.609  -6.034
  195   HG13  VAL  27          HG13      VAL  27  -2.124   5.931  -4.833
  196   HG21  VAL  27          HG21      VAL  27  -2.896   3.174  -5.931
  197   HG22  VAL  27          HG22      VAL  27  -1.239   2.590  -6.200
  198   HG23  VAL  27          HG23      VAL  27  -1.634   3.486  -4.714
  199    H    GLN  28           H        GLN  28  -3.626   6.266  -8.377
  200    HA   GLN  28           HA       GLN  28  -5.730   4.289  -8.418
  201    HB2  GLN  28           HB2      GLN  28  -7.180   6.133  -9.036
  202    HB3  GLN  28           HB3      GLN  28  -6.118   6.584  -7.688
  203    HG2  GLN  28           HG2      GLN  28  -4.635   7.734  -9.330
  204    HG3  GLN  28           HG3      GLN  28  -5.784   7.351 -10.621
  205   HE21  GLN  28          HE21      GLN  28  -5.970   8.705  -7.229
  206   HE22  GLN  28          HE22      GLN  28  -7.037  10.011  -7.670
  207    H    ASN  29           H        ASN  29  -3.601   5.730 -10.861
  208    HA   ASN  29           HA       ASN  29  -5.140   4.923 -13.162
  209    HB2  ASN  29           HB2      ASN  29  -3.595   6.384 -13.936
  210    HB3  ASN  29           HB3      ASN  29  -2.569   6.160 -12.517
  211   HD21  ASN  29          HD21      ASN  29  -0.965   4.543 -12.463
  212   HD22  ASN  29          HD22      ASN  29  -0.346   3.835 -13.937
  213    H    PHE  30           H        PHE  30  -2.918   3.272 -10.974
  214    HA   PHE  30           HA       PHE  30  -2.345   1.127 -12.884
  215    HB2  PHE  30           HB2      PHE  30  -0.608   1.934 -11.458
  216    HB3  PHE  30           HB3      PHE  30  -1.587   1.715 -10.013
  217    HD1  PHE  30           HD1      PHE  30   0.084  -0.143 -12.796
  218    HD2  PHE  30           HD2      PHE  30  -1.544  -0.311  -8.825
  219    HE1  PHE  30           HE1      PHE  30   1.002  -2.427 -12.517
  220    HE2  PHE  30           HE2      PHE  30  -0.696  -2.619  -8.568
  221    HZ   PHE  30           HZ       PHE  30   0.607  -3.674 -10.397
  222    H    LEU  31           H        LEU  31  -4.445   1.655 -10.044
  223    HA   LEU  31           HA       LEU  31  -5.358  -1.133 -10.064
  224    HB2  LEU  31           HB2      LEU  31  -5.972   1.337  -8.468
  225    HB3  LEU  31           HB3      LEU  31  -7.151   0.029  -8.498
  226    HG   LEU  31           HG       LEU  31  -5.657  -1.567  -7.591
  227   HD11  LEU  31          HD11      LEU  31  -3.473   0.524  -7.820
  228   HD12  LEU  31          HD12      LEU  31  -3.334  -1.018  -6.940
  229   HD13  LEU  31          HD13      LEU  31  -3.584  -1.033  -8.692
  230   HD21  LEU  31          HD21      LEU  31  -5.140  -0.544  -5.412
  231   HD22  LEU  31          HD22      LEU  31  -5.320   1.077  -6.121
  232   HD23  LEU  31          HD23      LEU  31  -6.728  -0.004  -6.005
  233    H    SER  32           H        SER  32  -5.677  -0.801 -12.487
  234    HA   SER  32           HA       SER  32  -7.691   0.687 -13.650
  235    HB2  SER  32           HB2      SER  32  -7.763  -1.140 -15.335
  236    HB3  SER  32           HB3      SER  32  -6.105  -0.661 -14.908
  237    HG   SER  32           HG       SER  32  -6.406  -2.941 -14.929
  238    H    ASP  33           H        ASP  33  -9.795   0.428 -14.092
  239    HA   ASP  33           HA       ASP  33 -11.965   0.117 -13.678
  240    HB2  ASP  33           HB2      ASP  33 -11.119  -2.760 -13.247
  241    HB3  ASP  33           HB3      ASP  33 -12.772  -2.200 -13.545
  242    H    CYS  34           H        CYS  34  -9.852  -0.193 -11.028
  243    HA   CYS  34           HA       CYS  34 -11.837  -0.963  -9.055
  244    HB2  CYS  34           HB2      CYS  34  -9.145   0.429  -8.789
  245    HB3  CYS  34           HB3      CYS  34 -10.068  -0.289  -7.460
  246    HG   CYS  34           HG       CYS  34  -9.053  -1.815 -10.209
  247    H    THR  35           H        THR  35 -12.060   0.622  -7.117
  248    HA   THR  35           HA       THR  35 -12.410   3.436  -7.973
  249    HB   THR  35           HB       THR  35 -14.516   1.719  -6.608
  250    HG1  THR  35           HG1      THR  35 -14.469   1.437  -8.844
  251   HG21  THR  35          HG21      THR  35 -14.483   4.674  -7.305
  252   HG22  THR  35          HG22      THR  35 -15.917   3.772  -6.750
  253   HG23  THR  35          HG23      THR  35 -14.520   3.954  -5.674
  254    H    ILE  36           H        ILE  36 -11.113   4.445  -6.701
  255    HA   ILE  36           HA       ILE  36 -10.368   3.567  -4.034
  256    HB   ILE  36           HB       ILE  36  -9.918   6.231  -5.449
  257   HG12  ILE  36          HG12      ILE  36  -7.537   4.945  -5.586
  258   HG13  ILE  36          HG13      ILE  36  -8.611   3.536  -5.660
  259   HG21  ILE  36          HG21      ILE  36  -7.988   6.417  -3.942
  260   HG22  ILE  36          HG22      ILE  36  -9.488   6.287  -2.994
  261   HG23  ILE  36          HG23      ILE  36  -8.413   4.876  -3.174
  262   HD11  ILE  36          HD11      ILE  36  -9.761   4.539  -7.624
  263   HD12  ILE  36          HD12      ILE  36  -8.717   5.975  -7.480
  264   HD13  ILE  36          HD13      ILE  36  -8.015   4.394  -7.896
  265    H    HIS  37           H        HIS  37 -10.934   4.443  -2.098
  266    HA   HIS  37           HA       HIS  37 -13.632   4.846  -1.654
  267    HB2  HIS  37           HB2      HIS  37 -11.836   4.083  -0.123
  268    HB3  HIS  37           HB3      HIS  37 -11.330   5.761   0.053
  269    HD1  HIS  37           HD1      HIS  37 -13.853   3.253   1.309
  270    HD2  HIS  37           HD2      HIS  37 -13.246   7.406   1.321
  271    HE1  HIS  37           HE1      HIS  37 -15.409   4.207   3.097
  272    H    ASP  38           H        ASP  38 -11.341   7.325  -2.652
  273    HA   ASP  38           HA       ASP  38 -13.609   9.229  -2.732
  274    HB2  ASP  38           HB2      ASP  38 -10.969   9.747  -1.350
  275    HB3  ASP  38           HB3      ASP  38 -12.052  11.036  -1.904
  276    H    GLY  39           H        GLY  39 -10.641   7.967  -4.073
  277    HA2  GLY  39           HA2      GLY  39  -9.989   8.194  -6.276
  278    HA3  GLY  39           HA3      GLY  39 -11.121   9.554  -6.478
  279    H    ALA  40           H        ALA  40  -9.438  10.162  -3.765
  280    HA   ALA  40           HA       ALA  40  -6.861  10.992  -4.528
  281    HB1  ALA  40           HB1      ALA  40  -8.982  13.180  -4.683
  282    HB2  ALA  40           HB2      ALA  40  -7.226  13.465  -4.675
  283    HB3  ALA  40           HB3      ALA  40  -7.968  12.595  -6.028
  284    H    ALA  41           H        ALA  41  -9.285  10.469  -2.328
  285    HA   ALA  41           HA       ALA  41  -7.702  11.756  -0.165
  286    HB1  ALA  41           HB1      ALA  41  -9.678  13.170  -0.682
  287    HB2  ALA  41           HB2      ALA  41 -10.741  11.782  -0.349
  288    HB3  ALA  41           HB3      ALA  41  -9.750  12.473   0.954
  289    H    GLY  42           H        GLY  42  -8.366   8.940  -1.423
  290    HA2  GLY  42           HA2      GLY  42  -8.802   7.564   1.195
  291    HA3  GLY  42           HA3      GLY  42  -9.301   6.911  -0.386
  292    H    VAL  43           H        VAL  43  -6.504   8.541  -0.982
  293    HA   VAL  43           HA       VAL  43  -4.860   6.168  -1.159
  294    HB   VAL  43           HB       VAL  43  -4.900   8.317  -2.679
  295   HG11  VAL  43          HG11      VAL  43  -3.401  10.087  -2.021
  296   HG12  VAL  43          HG12      VAL  43  -4.667   9.918  -0.797
  297   HG13  VAL  43          HG13      VAL  43  -3.027   9.287  -0.483
  298   HG21  VAL  43          HG21      VAL  43  -2.530   8.024  -3.210
  299   HG22  VAL  43          HG22      VAL  43  -2.264   7.171  -1.677
  300   HG23  VAL  43          HG23      VAL  43  -3.320   6.460  -2.926
  301    H    HIS  44           H        HIS  44  -2.776   5.912  -0.056
  302    HA   HIS  44           HA       HIS  44  -2.176   7.644   2.243
  303    HB2  HIS  44           HB2      HIS  44  -2.919   4.713   2.456
  304    HB3  HIS  44           HB3      HIS  44  -1.833   5.485   3.613
  305    HD1  HIS  44           HD1      HIS  44  -2.992   7.727   4.922
  306    HD2  HIS  44           HD2      HIS  44  -5.453   4.910   3.019
  307    HE1  HIS  44           HE1      HIS  44  -5.326   8.031   5.901
  308    H    PHE  45           H        PHE  45  -0.014   7.104   3.131
  309    HA   PHE  45           HA       PHE  45   1.724   5.391   1.489
  310    HB2  PHE  45           HB2      PHE  45   2.134   8.389   1.837
  311    HB3  PHE  45           HB3      PHE  45   3.331   7.270   1.186
  312    HD1  PHE  45           HD1      PHE  45   2.933   6.128  -1.004
  313    HD2  PHE  45           HD2      PHE  45   0.338   9.223   0.470
  314    HE1  PHE  45           HE1      PHE  45   1.968   6.397  -3.272
  315    HE2  PHE  45           HE2      PHE  45  -0.622   9.496  -1.797
  316    HZ   PHE  45           HZ       PHE  45   0.179   8.070  -3.669
  317    H    ILE  46           H        ILE  46   4.001   5.388   2.513
  318    HA   ILE  46           HA       ILE  46   3.833   5.921   5.444
  319    HB   ILE  46           HB       ILE  46   5.131   3.477   4.245
  320   HG12  ILE  46          HG12      ILE  46   2.332   3.709   5.452
  321   HG13  ILE  46          HG13      ILE  46   2.687   3.471   3.731
  322   HG21  ILE  46          HG21      ILE  46   5.062   2.695   6.577
  323   HG22  ILE  46          HG22      ILE  46   5.839   4.290   6.519
  324   HG23  ILE  46          HG23      ILE  46   4.151   4.135   7.066
  325   HD11  ILE  46          HD11      ILE  46   3.990   1.414   4.363
  326   HD12  ILE  46          HD12      ILE  46   3.276   1.562   5.987
  327   HD13  ILE  46          HD13      ILE  46   2.227   1.326   4.560
  328    H    TYR  47           H        TYR  47   5.644   7.016   6.202
  329    HA   TYR  47           HA       TYR  47   8.133   7.034   4.660
  330    HB2  TYR  47           HB2      TYR  47   8.023   9.404   4.114
  331    HB3  TYR  47           HB3      TYR  47   6.676   8.539   3.376
  332    HD1  TYR  47           HD1      TYR  47   4.374   8.794   4.239
  333    HD2  TYR  47           HD2      TYR  47   7.654  11.092   5.802
  334    HE1  TYR  47           HE1      TYR  47   2.763  10.366   5.288
  335    HE2  TYR  47           HE2      TYR  47   6.053  12.672   6.855
  336    HH   TYR  47           HH       TYR  47   2.502  12.254   6.559
  337    H    THR  48           H        THR  48   9.531   8.987   5.536
  338    HA   THR  48           HA       THR  48   9.126   9.400   8.447
  339    HB   THR  48           HB       THR  48  11.537   8.933   8.820
  340    HG1  THR  48           HG1      THR  48  12.641   7.817   7.175
  341   HG21  THR  48          HG21      THR  48  10.055   6.580   7.596
  342   HG22  THR  48          HG22      THR  48  11.398   6.505   8.764
  343   HG23  THR  48          HG23      THR  48   9.836   7.197   9.255
  344    H    ARG  49           H        ARG  49  10.805  10.998   9.261
  345    HA   ARG  49           HA       ARG  49  10.582  13.405   7.779
  346    HB2  ARG  49           HB2      ARG  49  11.823  14.371   9.615
  347    HB3  ARG  49           HB3      ARG  49  10.678  13.168  10.223
  348    HG2  ARG  49           HG2      ARG  49  12.556  12.716  11.480
  349    HG3  ARG  49           HG3      ARG  49  12.686  11.514  10.189
  350    HD2  ARG  49           HD2      ARG  49  14.317  12.987   9.015
  351    HD3  ARG  49           HD3      ARG  49  14.122  14.203  10.292
  352    HE   ARG  49           HE       ARG  49  14.853  11.760  11.517
  353   HH11  ARG  49          HH11      ARG  49  16.237  14.165   9.328
  354   HH12  ARG  49          HH12      ARG  49  17.879  13.850   9.832
  355   HH21  ARG  49          HH21      ARG  49  17.008  11.367  12.155
  356   HH22  ARG  49          HH22      ARG  49  18.314  12.269  11.425
  357    H    GLU  50           H        GLU  50  12.905  10.839   7.575
  358    HA   GLU  50           HA       GLU  50  15.133  12.340   6.610
  359    HB2  GLU  50           HB2      GLU  50  15.250  10.046   7.482
  360    HB3  GLU  50           HB3      GLU  50  14.340   9.449   6.075
  361    HG2  GLU  50           HG2      GLU  50  16.112  10.040   4.573
  362    HG3  GLU  50           HG3      GLU  50  16.887  11.062   5.793
  363    H    GLY  51           H        GLY  51  12.221  11.088   4.967
  364    HA2  GLY  51           HA2      GLY  51  11.298  12.187   3.116
  365    HA3  GLY  51           HA3      GLY  51  12.856  12.947   2.767
  366    H    ARG  52           H        ARG  52  12.018   9.430   3.144
  367    HA   ARG  52           HA       ARG  52  12.498   9.014   0.282
  368    HB2  ARG  52           HB2      ARG  52  14.212   7.194   0.859
  369    HB3  ARG  52           HB3      ARG  52  14.739   8.871   0.887
  370    HG2  ARG  52           HG2      ARG  52  15.662   7.640   2.772
  371    HG3  ARG  52           HG3      ARG  52  14.602   8.940   3.327
  372    HD2  ARG  52           HD2      ARG  52  12.813   7.344   3.787
  373    HD3  ARG  52           HD3      ARG  52  13.781   6.020   3.094
  374    HE   ARG  52           HE       ARG  52  15.329   7.215   5.121
  375   HH11  ARG  52          HH11      ARG  52  12.281   5.431   4.893
  376   HH12  ARG  52          HH12      ARG  52  12.454   4.723   6.484
  377   HH21  ARG  52          HH21      ARG  52  15.514   6.325   7.152
  378   HH22  ARG  52          HH22      ARG  52  14.288   5.241   7.781
  379    H    GLN  53           H        GLN  53  10.247   8.746   2.128
  380    HA   GLN  53           HA       GLN  53   8.597   7.324   2.740
  381    HB2  GLN  53           HB2      GLN  53   9.576   5.671   0.391
  382    HB3  GLN  53           HB3      GLN  53   7.971   5.624   1.136
  383    HG2  GLN  53           HG2      GLN  53   9.213   7.971  -0.350
  384    HG3  GLN  53           HG3      GLN  53   7.865   6.956  -0.883
  385   HE21  GLN  53          HE21      GLN  53   5.912   6.903   0.642
  386   HE22  GLN  53          HE22      GLN  53   5.474   8.423   1.397
  387    H    SER  54           H        SER  54   8.189   4.618   2.882
  388    HA   SER  54           HA       SER  54  10.501   3.665   4.519
  389    HB2  SER  54           HB2      SER  54   7.538   3.280   5.070
  390    HB3  SER  54           HB3      SER  54   8.878   2.604   6.023
  391    HG   SER  54           HG       SER  54   8.134   4.548   6.930
  392    H    GLY  55           H        GLY  55   8.424   3.040   1.851
  393    HA2  GLY  55           HA2      GLY  55   9.720   1.254   0.519
  394    HA3  GLY  55           HA3      GLY  55   9.235   0.182   1.846
  395    H    GLU  56           H        GLU  56   6.554   1.740   2.039
  396    HA   GLU  56           HA       GLU  56   5.269   1.028  -0.474
  397    HB2  GLU  56           HB2      GLU  56   3.836  -0.715   0.482
  398    HB3  GLU  56           HB3      GLU  56   5.526  -1.194   0.391
  399    HG2  GLU  56           HG2      GLU  56   4.218  -0.133   2.914
  400    HG3  GLU  56           HG3      GLU  56   4.242  -1.844   2.464
  401    H    ALA  57           H        ALA  57   2.706   0.688   0.286
  402    HA   ALA  57           HA       ALA  57   1.819   3.048   1.793
  403    HB1  ALA  57           HB1      ALA  57   0.771   3.974  -0.305
  404    HB2  ALA  57           HB2      ALA  57   2.549   3.990  -0.353
  405    HB3  ALA  57           HB3      ALA  57   1.639   2.746  -1.238
  406    H    PHE  58           H        PHE  58  -0.698   3.302   1.117
  407    HA   PHE  58           HA       PHE  58  -1.940   0.639   0.641
  408    HB2  PHE  58           HB2      PHE  58  -2.813   2.574   2.809
  409    HB3  PHE  58           HB3      PHE  58  -3.570   1.044   2.416
  410    HD1  PHE  58           HD1      PHE  58  -2.470  -1.111   3.054
  411    HD2  PHE  58           HD2      PHE  58  -0.841   2.712   4.142
  412    HE1  PHE  58           HE1      PHE  58  -1.124  -2.193   4.846
  413    HE2  PHE  58           HE2      PHE  58   0.461   1.656   5.943
  414    HZ   PHE  58           HZ       PHE  58   0.327  -0.813   6.309
  415    H    VAL  59           H        VAL  59  -4.313   0.878   0.201
  416    HA   VAL  59           HA       VAL  59  -5.200   3.547  -0.712
  417    HB   VAL  59           HB       VAL  59  -5.204   1.070  -2.498
  418   HG11  VAL  59          HG11      VAL  59  -7.176   2.506  -2.820
  419   HG12  VAL  59          HG12      VAL  59  -6.127   3.932  -2.984
  420   HG13  VAL  59          HG13      VAL  59  -6.077   2.640  -4.206
  421   HG21  VAL  59          HG21      VAL  59  -3.621   3.660  -2.749
  422   HG22  VAL  59          HG22      VAL  59  -2.948   2.044  -2.419
  423   HG23  VAL  59          HG23      VAL  59  -3.721   2.377  -3.978
  424    H    GLU  60           H        GLU  60  -7.218   3.828   0.104
  425    HA   GLU  60           HA       GLU  60  -8.827   1.507   0.926
  426    HB2  GLU  60           HB2      GLU  60  -9.402   4.502   0.910
  427    HB3  GLU  60           HB3      GLU  60 -10.442   3.256   1.626
  428    HG2  GLU  60           HG2      GLU  60  -8.599   2.618   3.164
  429    HG3  GLU  60           HG3      GLU  60  -7.606   3.932   2.501
  430    H    LEU  61           H        LEU  61 -10.893   0.986  -0.001
  431    HA   LEU  61           HA       LEU  61 -11.388   2.202  -2.688
  432    HB2  LEU  61           HB2      LEU  61 -11.882  -0.688  -2.017
  433    HB3  LEU  61           HB3      LEU  61 -11.902   0.069  -3.599
  434    HG   LEU  61           HG       LEU  61  -9.349  -0.049  -1.938
  435   HD11  LEU  61          HD11      LEU  61 -10.244  -2.323  -2.307
  436   HD12  LEU  61          HD12      LEU  61 -10.316  -1.987  -4.054
  437   HD13  LEU  61          HD13      LEU  61  -8.743  -2.026  -3.223
  438   HD21  LEU  61          HD21      LEU  61  -9.435   1.573  -3.840
  439   HD22  LEU  61          HD22      LEU  61  -8.306   0.241  -4.161
  440   HD23  LEU  61          HD23      LEU  61  -9.909   0.246  -4.928
  441    H    GLY  62           H        GLY  62 -13.674   1.016  -3.406
  442    HA2  GLY  62           HA2      GLY  62 -15.557   2.260  -1.486
  443    HA3  GLY  62           HA3      GLY  62 -15.800   1.949  -3.211
  444    H    SER  63           H        SER  63 -14.933  -0.882  -3.151
  445    HA   SER  63           HA       SER  63 -16.943  -2.158  -1.397
  446    HB2  SER  63           HB2      SER  63 -17.113  -2.213  -4.438
  447    HB3  SER  63           HB3      SER  63 -18.084  -3.209  -3.336
  448    HG   SER  63           HG       SER  63 -19.177  -1.310  -4.014
  449    H    GLU  64           H        GLU  64 -17.030  -4.563  -1.818
  450    HA   GLU  64           HA       GLU  64 -14.469  -5.762  -1.658
  451    HB2  GLU  64           HB2      GLU  64 -16.532  -6.770  -0.768
  452    HB3  GLU  64           HB3      GLU  64 -17.199  -6.908  -2.396
  453    HG2  GLU  64           HG2      GLU  64 -15.409  -8.462  -3.039
  454    HG3  GLU  64           HG3      GLU  64 -14.653  -8.276  -1.439
  455    H    ASP  65           H        ASP  65 -16.530  -4.993  -4.462
  456    HA   ASP  65           HA       ASP  65 -15.212  -6.823  -6.234
  457    HB2  ASP  65           HB2      ASP  65 -17.476  -5.794  -6.573
  458    HB3  ASP  65           HB3      ASP  65 -16.694  -4.233  -6.862
  459    H    ASP  66           H        ASP  66 -14.420  -3.601  -5.013
  460    HA   ASP  66           HA       ASP  66 -12.516  -3.005  -7.145
  461    HB2  ASP  66           HB2      ASP  66 -13.026  -1.767  -4.409
  462    HB3  ASP  66           HB3      ASP  66 -11.978  -1.088  -5.661
  463    H    VAL  67           H        VAL  67 -12.402  -4.341  -3.791
  464    HA   VAL  67           HA       VAL  67  -9.511  -4.277  -3.719
  465    HB   VAL  67           HB       VAL  67 -10.465  -4.368  -1.616
  466   HG11  VAL  67          HG11      VAL  67 -12.192  -6.705  -2.421
  467   HG12  VAL  67          HG12      VAL  67 -12.103  -5.959  -0.811
  468   HG13  VAL  67          HG13      VAL  67 -12.715  -5.005  -2.171
  469   HG21  VAL  67          HG21      VAL  67  -9.816  -7.292  -2.126
  470   HG22  VAL  67          HG22      VAL  67  -8.592  -6.023  -1.879
  471   HG23  VAL  67          HG23      VAL  67  -9.739  -6.424  -0.579
  472    H    LYS  68           H        LYS  68 -11.933  -6.730  -4.763
  473    HA   LYS  68           HA       LYS  68 -10.030  -8.778  -5.279
  474    HB2  LYS  68           HB2      LYS  68 -12.722  -8.050  -6.489
  475    HB3  LYS  68           HB3      LYS  68 -11.812  -9.501  -6.962
  476    HG2  LYS  68           HG2      LYS  68 -11.797 -10.312  -4.663
  477    HG3  LYS  68           HG3      LYS  68 -12.632  -8.852  -4.101
  478    HD2  LYS  68           HD2      LYS  68 -14.577  -9.386  -5.507
  479    HD3  LYS  68           HD3      LYS  68 -13.756 -10.826  -6.144
  480    HE2  LYS  68           HE2      LYS  68 -14.422 -10.351  -3.210
  481    HE3  LYS  68           HE3      LYS  68 -15.399 -11.328  -4.320
  482    HZ1  LYS  68           HZ1      LYS  68 -13.919 -12.687  -3.040
  483    HZ2  LYS  68           HZ2      LYS  68 -13.505 -12.765  -4.628
  484    HZ3  LYS  68           HZ3      LYS  68 -12.599 -11.869  -3.586
  485    H    MET  69           H        MET  69 -11.236  -6.083  -7.359
  486    HA   MET  69           HA       MET  69  -9.737  -6.909  -9.659
  487    HB2  MET  69           HB2      MET  69 -11.128  -4.354  -8.825
  488    HB3  MET  69           HB3      MET  69 -10.191  -4.460 -10.324
  489    HG2  MET  69           HG2      MET  69 -11.515  -6.537 -10.908
  490    HG3  MET  69           HG3      MET  69 -12.571  -6.174  -9.543
  491    HE1  MET  69           HE1      MET  69 -13.917  -3.882  -9.333
  492    HE2  MET  69           HE2      MET  69 -12.541  -2.863  -9.821
  493    HE3  MET  69           HE3      MET  69 -14.103  -2.707 -10.654
  494    H    ALA  70           H        ALA  70  -8.867  -4.955  -6.818
  495    HA   ALA  70           HA       ALA  70  -6.505  -3.800  -8.012
  496    HB1  ALA  70           HB1      ALA  70  -7.241  -4.337  -5.106
  497    HB2  ALA  70           HB2      ALA  70  -5.931  -3.271  -5.670
  498    HB3  ALA  70           HB3      ALA  70  -7.623  -2.861  -6.025
  499    H    LEU  71           H        LEU  71  -7.258  -6.893  -6.457
  500    HA   LEU  71           HA       LEU  71  -4.476  -7.664  -6.108
  501    HB2  LEU  71           HB2      LEU  71  -7.088  -9.204  -5.937
  502    HB3  LEU  71           HB3      LEU  71  -5.503  -9.819  -5.420
  503    HG   LEU  71           HG       LEU  71  -6.746  -7.267  -4.321
  504   HD11  LEU  71          HD11      LEU  71  -6.751 -10.058  -3.131
  505   HD12  LEU  71          HD12      LEU  71  -7.351  -8.576  -2.340
  506   HD13  LEU  71          HD13      LEU  71  -8.168  -9.201  -3.793
  507   HD21  LEU  71          HD21      LEU  71  -4.460  -8.990  -3.337
  508   HD22  LEU  71          HD22      LEU  71  -4.330  -7.379  -4.096
  509   HD23  LEU  71          HD23      LEU  71  -5.135  -7.551  -2.523
  510    H    LYS  72           H        LYS  72  -6.678  -7.629  -8.755
  511    HA   LYS  72           HA       LYS  72  -5.635  -9.912 -10.180
  512    HB2  LYS  72           HB2      LYS  72  -6.987  -7.408 -11.232
  513    HB3  LYS  72           HB3      LYS  72  -6.714  -8.894 -12.153
  514    HG2  LYS  72           HG2      LYS  72  -8.421  -8.633  -9.655
  515    HG3  LYS  72           HG3      LYS  72  -9.026  -8.787 -11.307
  516    HD2  LYS  72           HD2      LYS  72  -8.084 -11.038 -11.492
  517    HD3  LYS  72           HD3      LYS  72  -7.335 -10.894  -9.883
  518    HE2  LYS  72           HE2      LYS  72  -9.520 -10.626  -8.837
  519    HE3  LYS  72           HE3      LYS  72 -10.318 -10.721 -10.423
  520    HZ1  LYS  72           HZ1      LYS  72  -8.721 -12.863  -9.185
  521    HZ2  LYS  72           HZ2      LYS  72 -10.362 -12.825  -9.283
  522    HZ3  LYS  72           HZ3      LYS  72  -9.460 -12.948 -10.652
  523    H    LYS  73           H        LYS  73  -4.039  -7.022  -9.407
  524    HA   LYS  73           HA       LYS  73  -2.110  -7.549 -11.594
  525    HB2  LYS  73           HB2      LYS  73  -1.730  -5.170 -11.900
  526    HB3  LYS  73           HB3      LYS  73  -3.417  -5.548 -12.234
  527    HG2  LYS  73           HG2      LYS  73  -2.601  -4.643  -9.462
  528    HG3  LYS  73           HG3      LYS  73  -2.644  -3.473 -10.778
  529    HD2  LYS  73           HD2      LYS  73  -4.991  -5.209  -9.949
  530    HD3  LYS  73           HD3      LYS  73  -4.744  -3.531  -9.473
  531    HE2  LYS  73           HE2      LYS  73  -4.753  -2.843 -11.864
  532    HE3  LYS  73           HE3      LYS  73  -5.014  -4.527 -12.345
  533    HZ1  LYS  73           HZ1      LYS  73  -7.059  -3.308 -12.303
  534    HZ2  LYS  73           HZ2      LYS  73  -7.090  -4.487 -11.149
  535    HZ3  LYS  73           HZ3      LYS  73  -6.863  -2.919 -10.717
  536    H    ASP  74           H        ASP  74  -2.360  -8.351  -8.841
  537    HA   ASP  74           HA       ASP  74  -0.951  -7.032  -6.922
  538    HB2  ASP  74           HB2      ASP  74  -0.709  -9.146  -5.854
  539    HB3  ASP  74           HB3      ASP  74  -2.259  -9.117  -6.706
  540    H    ARG  75           H        ARG  75   0.682  -8.159  -9.809
  541    HA   ARG  75           HA       ARG  75   3.140  -7.240  -8.540
  542    HB2  ARG  75           HB2      ARG  75   2.839  -9.793  -8.171
  543    HB3  ARG  75           HB3      ARG  75   3.248  -9.909  -9.908
  544    HG2  ARG  75           HG2      ARG  75   5.357  -8.639  -9.398
  545    HG3  ARG  75           HG3      ARG  75   4.909  -8.719  -7.667
  546    HD2  ARG  75           HD2      ARG  75   4.896 -11.140  -7.728
  547    HD3  ARG  75           HD3      ARG  75   5.064 -11.126  -9.494
  548    HE   ARG  75           HE       ARG  75   7.292  -9.750  -8.435
  549   HH11  ARG  75          HH11      ARG  75   5.962 -13.024  -8.375
  550   HH12  ARG  75          HH12      ARG  75   7.523 -13.781  -8.167
  551   HH21  ARG  75          HH21      ARG  75   9.310 -10.761  -8.123
  552   HH22  ARG  75          HH22      ARG  75   9.413 -12.504  -8.039
  553    H    GLU  76           H        GLU  76   1.300  -6.363 -10.763
  554    HA   GLU  76           HA       GLU  76   2.663  -6.769 -13.255
  555    HB2  GLU  76           HB2      GLU  76   0.854  -4.521 -12.351
  556    HB3  GLU  76           HB3      GLU  76   1.427  -4.758 -14.013
  557    HG2  GLU  76           HG2      GLU  76  -0.296  -6.609 -12.383
  558    HG3  GLU  76           HG3      GLU  76  -0.763  -5.710 -13.831
  559    H    SER  77           H        SER  77   3.033  -4.127 -14.196
  560    HA   SER  77           HA       SER  77   5.564  -3.441 -12.768
  561    HB2  SER  77           HB2      SER  77   5.298  -4.254 -15.688
  562    HB3  SER  77           HB3      SER  77   6.788  -3.679 -14.917
  563    HG   SER  77           HG       SER  77   6.669  -5.961 -14.977
  564    H    MET  78           H        MET  78   2.806  -2.072 -13.878
  565    HA   MET  78           HA       MET  78   2.171  -0.172 -14.955
  566    HB2  MET  78           HB2      MET  78   4.699   0.719 -13.552
  567    HB3  MET  78           HB3      MET  78   3.757   1.838 -14.547
  568    HG2  MET  78           HG2      MET  78   1.768   1.463 -13.222
  569    HG3  MET  78           HG3      MET  78   2.614   0.284 -12.211
  570    HE1  MET  78           HE1      MET  78   1.946   3.599 -10.009
  571    HE2  MET  78           HE2      MET  78   0.987   3.210 -11.450
  572    HE3  MET  78           HE3      MET  78   1.427   1.921 -10.298
  573    H    GLY  79           H        GLY  79   4.582  -1.970 -16.247
  574    HA2  GLY  79           HA2      GLY  79   4.692  -2.049 -18.654
  575    HA3  GLY  79           HA3      GLY  79   4.672  -0.279 -18.689
  576    H    HIS  80           H        HIS  80   6.706  -0.613 -16.189
  577    HA   HIS  80           HA       HIS  80   9.105  -1.246 -17.791
  578    HB2  HIS  80           HB2      HIS  80   8.546   1.516 -16.645
  579    HB3  HIS  80           HB3      HIS  80  10.065   1.000 -17.386
  580    HD1  HIS  80           HD1      HIS  80   6.804   2.534 -18.314
  581    HD2  HIS  80           HD2      HIS  80   9.846   0.262 -20.116
  582    HE1  HIS  80           HE1      HIS  80   6.519   2.808 -20.837
  583    H    ARG  81           H        ARG  81   7.627  -1.655 -14.855
  584    HA   ARG  81           HA       ARG  81  10.238  -1.869 -13.511
  585    HB2  ARG  81           HB2      ARG  81   9.424   0.405 -13.078
  586    HB3  ARG  81           HB3      ARG  81   7.945  -0.233 -12.364
  587    HG2  ARG  81           HG2      ARG  81   9.817   0.552 -10.789
  588    HG3  ARG  81           HG3      ARG  81   9.098  -1.007 -10.431
  589    HD2  ARG  81           HD2      ARG  81  11.021  -2.093 -11.686
  590    HD3  ARG  81           HD3      ARG  81  11.772  -0.485 -11.764
  591    HE   ARG  81           HE       ARG  81  10.942  -1.438  -9.092
  592   HH11  ARG  81          HH11      ARG  81  13.582  -1.125 -11.432
  593   HH12  ARG  81          HH12      ARG  81  14.827  -1.343 -10.226
  594   HH21  ARG  81          HH21      ARG  81  12.581  -1.733  -7.554
  595   HH22  ARG  81          HH22      ARG  81  14.258  -1.669  -8.032
  596    H    TYR  82           H        TYR  82   8.069  -1.967 -11.092
  597    HA   TYR  82           HA       TYR  82   6.992  -4.641 -11.255
  598    HB2  TYR  82           HB2      TYR  82   9.338  -5.232 -11.117
  599    HB3  TYR  82           HB3      TYR  82   9.619  -4.027  -9.876
  600    HD1  TYR  82           HD1      TYR  82   6.641  -6.272  -9.262
  601    HD2  TYR  82           HD2      TYR  82  10.915  -5.679  -8.799
  602    HE1  TYR  82           HE1      TYR  82   6.711  -7.910  -7.440
  603    HE2  TYR  82           HE2      TYR  82  10.962  -7.400  -7.035
  604    HH   TYR  82           HH       TYR  82   7.979  -9.065  -5.930
  605    H    ILE  83           H        ILE  83   5.267  -4.481 -10.051
  606    HA   ILE  83           HA       ILE  83   5.221  -2.504  -7.831
  607    HB   ILE  83           HB       ILE  83   2.888  -3.228  -9.632
  608   HG12  ILE  83          HG12      ILE  83   4.621  -2.246 -11.075
  609   HG13  ILE  83          HG13      ILE  83   3.201  -1.219 -10.915
  610   HG21  ILE  83          HG21      ILE  83   2.046  -0.987  -8.816
  611   HG22  ILE  83          HG22      ILE  83   2.186  -2.217  -7.552
  612   HG23  ILE  83          HG23      ILE  83   3.420  -0.947  -7.691
  613   HD11  ILE  83          HD11      ILE  83   5.351   0.042 -10.839
  614   HD12  ILE  83          HD12      ILE  83   4.361   0.271  -9.386
  615   HD13  ILE  83          HD13      ILE  83   5.776  -0.809  -9.341
  616    H    GLU  84           H        GLU  84   3.308  -3.100  -6.290
  617    HA   GLU  84           HA       GLU  84   2.611  -5.962  -6.359
  618    HB2  GLU  84           HB2      GLU  84   4.528  -4.690  -4.479
  619    HB3  GLU  84           HB3      GLU  84   3.271  -5.703  -3.728
  620    HG2  GLU  84           HG2      GLU  84   3.899  -7.541  -5.348
  621    HG3  GLU  84           HG3      GLU  84   5.225  -6.520  -5.910
  622    H    VAL  85           H        VAL  85   0.712  -6.439  -5.290
  623    HA   VAL  85           HA       VAL  85  -0.620  -4.300  -3.740
  624    HB   VAL  85           HB       VAL  85  -2.185  -5.824  -5.839
  625   HG11  VAL  85          HG11      VAL  85  -2.590  -3.168  -4.408
  626   HG12  VAL  85          HG12      VAL  85  -3.719  -3.912  -5.559
  627   HG13  VAL  85          HG13      VAL  85  -3.395  -4.703  -4.003
  628   HG21  VAL  85          HG21      VAL  85  -0.775  -3.171  -6.216
  629   HG22  VAL  85          HG22      VAL  85  -0.500  -4.677  -7.133
  630   HG23  VAL  85          HG23      VAL  85  -2.048  -3.817  -7.286
  631    H    PHE  86           H        PHE  86  -1.486  -5.199  -1.955
  632    HA   PHE  86           HA       PHE  86  -2.115  -8.119  -1.994
  633    HB2  PHE  86           HB2      PHE  86   0.182  -7.620  -1.093
  634    HB3  PHE  86           HB3      PHE  86  -0.565  -6.697   0.198
  635    HD1  PHE  86           HD1      PHE  86  -1.776  -7.829   1.975
  636    HD2  PHE  86           HD2      PHE  86   0.153 -10.087  -1.132
  637    HE1  PHE  86           HE1      PHE  86  -1.982  -9.875   3.342
  638    HE2  PHE  86           HE2      PHE  86  -0.081 -12.127   0.192
  639    HZ   PHE  86           HZ       PHE  86  -1.152 -12.053   2.445
  640    H    LYS  87           H        LYS  87  -3.660  -8.752  -0.322
  641    HA   LYS  87           HA       LYS  87  -5.726  -6.756  -0.149
  642    HB2  LYS  87           HB2      LYS  87  -5.945  -9.276  -0.481
  643    HB3  LYS  87           HB3      LYS  87  -5.651  -9.447   1.260
  644    HG2  LYS  87           HG2      LYS  87  -7.584  -7.929   1.681
  645    HG3  LYS  87           HG3      LYS  87  -7.838  -7.790  -0.070
  646    HD2  LYS  87           HD2      LYS  87  -8.246 -10.240  -0.196
  647    HD3  LYS  87           HD3      LYS  87  -7.994 -10.360   1.561
  648    HE2  LYS  87           HE2      LYS  87  -9.872  -8.716   1.881
  649    HE3  LYS  87           HE3      LYS  87 -10.166  -8.769   0.134
  650    HZ1  LYS  87           HZ1      LYS  87 -11.602 -10.274   1.308
  651    HZ2  LYS  87           HZ2      LYS  87 -10.571 -11.138   0.361
  652    HZ3  LYS  87           HZ3      LYS  87 -10.320 -11.051   1.989
  653    H    SER  88           H        SER  88  -6.745  -5.986   1.810
  654    HA   SER  88           HA       SER  88  -5.073  -6.093   4.257
  655    HB2  SER  88           HB2      SER  88  -4.329  -4.139   2.898
  656    HB3  SER  88           HB3      SER  88  -5.978  -3.486   2.987
  657    HG   SER  88           HG       SER  88  -4.533  -2.678   4.618
  658    H    HIS  89           H        HIS  89  -6.303  -4.497   5.918
  659    HA   HIS  89           HA       HIS  89  -9.209  -5.008   5.840
  660    HB2  HIS  89           HB2      HIS  89  -9.040  -6.092   8.129
  661    HB3  HIS  89           HB3      HIS  89  -8.404  -7.054   6.793
  662    HD1  HIS  89           HD1      HIS  89  -7.235  -5.359   9.986
  663    HD2  HIS  89           HD2      HIS  89  -5.703  -7.340   6.610
  664    HE1  HIS  89           HE1      HIS  89  -4.779  -5.881  10.490
  665    H    ARG  90           H        ARG  90  -6.830  -2.868   6.224
  666    HA   ARG  90           HA       ARG  90  -6.963  -0.685   6.743
  667    HB2  ARG  90           HB2      ARG  90  -9.482  -1.108   6.393
  668    HB3  ARG  90           HB3      ARG  90  -9.604  -1.088   8.163
  669    HG2  ARG  90           HG2      ARG  90  -8.576   1.179   8.188
  670    HG3  ARG  90           HG3      ARG  90  -8.447   1.119   6.413
  671    HD2  ARG  90           HD2      ARG  90 -10.923   0.837   6.282
  672    HD3  ARG  90           HD3      ARG  90 -11.023   1.031   8.039
  673    HE   ARG  90           HE       ARG  90 -10.355   3.107   6.023
  674   HH11  ARG  90          HH11      ARG  90 -10.770   2.291   9.444
  675   HH12  ARG  90          HH12      ARG  90 -10.874   3.964   9.940
  676   HH21  ARG  90          HH21      ARG  90 -10.475   5.237   6.689
  677   HH22  ARG  90          HH22      ARG  90 -10.708   5.639   8.378
  678    H    THR  91           H        THR  91  -7.459  -3.078   9.298
  679    HA   THR  91           HA       THR  91  -6.828  -1.275  11.466
  680    HB   THR  91           HB       THR  91  -6.379  -4.279  11.304
  681    HG1  THR  91           HG1      THR  91  -8.673  -2.822  12.115
  682   HG21  THR  91          HG21      THR  91  -5.323  -3.215  13.239
  683   HG22  THR  91          HG22      THR  91  -6.848  -2.390  13.645
  684   HG23  THR  91          HG23      THR  91  -6.735  -4.163  13.754
  685    H    GLU  92           H        GLU  92  -4.903  -3.467   9.362
  686    HA   GLU  92           HA       GLU  92  -2.359  -2.860  10.589
  687    HB2  GLU  92           HB2      GLU  92  -2.871  -4.821   9.062
  688    HB3  GLU  92           HB3      GLU  92  -2.969  -3.654   7.714
  689    HG2  GLU  92           HG2      GLU  92  -0.651  -2.950   8.153
  690    HG3  GLU  92           HG3      GLU  92  -0.547  -4.073   9.517
  691    H    MET  93           H        MET  93  -4.309  -1.357   8.001
  692    HA   MET  93           HA       MET  93  -2.310   0.370   7.001
  693    HB2  MET  93           HB2      MET  93  -4.571  -0.053   5.997
  694    HB3  MET  93           HB3      MET  93  -5.292   0.905   7.306
  695    HG2  MET  93           HG2      MET  93  -3.884   2.852   6.615
  696    HG3  MET  93           HG3      MET  93  -3.260   1.885   5.275
  697    HE1  MET  93           HE1      MET  93  -6.807   2.386   6.900
  698    HE2  MET  93           HE2      MET  93  -6.152   4.024   6.702
  699    HE3  MET  93           HE3      MET  93  -7.560   3.504   5.741
  700    H    ASP  94           H        ASP  94  -4.692   0.817   9.668
  701    HA   ASP  94           HA       ASP  94  -3.844   3.457  10.351
  702    HB2  ASP  94           HB2      ASP  94  -6.028   2.322  10.889
  703    HB3  ASP  94           HB3      ASP  94  -5.163   1.362  12.091
  704    H    TRP  95           H        TRP  95  -2.765   0.232  11.233
  705    HA   TRP  95           HA       TRP  95  -1.406   0.885  13.663
  706    HB2  TRP  95           HB2      TRP  95  -2.168  -1.369  13.036
  707    HB3  TRP  95           HB3      TRP  95  -1.011  -1.400  11.710
  708    HD1  TRP  95           HD1      TRP  95  -1.274  -1.894  15.446
  709    HE1  TRP  95           HE1      TRP  95   0.921  -2.807  16.376
  710    HE3  TRP  95           HE3      TRP  95   1.629  -1.388  11.276
  711    HZ2  TRP  95           HZ2      TRP  95   3.636  -3.218  15.438
  712    HZ3  TRP  95           HZ3      TRP  95   4.021  -1.995  11.330
  713    HH2  TRP  95           HH2      TRP  95   5.037  -2.926  13.398
  714    H    VAL  96           H        VAL  96  -0.495   1.374  10.317
  715    HA   VAL  96           HA       VAL  96   2.303   1.953  11.230
  716    HB   VAL  96           HB       VAL  96   2.279  -0.022   9.832
  717   HG11  VAL  96          HG11      VAL  96   0.756   1.722   7.909
  718   HG12  VAL  96          HG12      VAL  96   1.617   0.231   7.434
  719   HG13  VAL  96          HG13      VAL  96   0.288   0.150   8.605
  720   HG21  VAL  96          HG21      VAL  96   3.867   0.676   8.155
  721   HG22  VAL  96          HG22      VAL  96   3.304   2.357   8.248
  722   HG23  VAL  96          HG23      VAL  96   4.151   1.621   9.631
  723    H    LEU  97           H        LEU  97  -0.577   3.208   9.620
  724    HA   LEU  97           HA       LEU  97   0.722   5.474   8.426
  725    HB2  LEU  97           HB2      LEU  97  -2.006   4.508   8.949
  726    HB3  LEU  97           HB3      LEU  97  -1.877   6.249   9.158
  727    HG   LEU  97           HG       LEU  97  -2.569   5.684   6.899
  728   HD11  LEU  97          HD11      LEU  97   0.278   6.769   6.923
  729   HD12  LEU  97          HD12      LEU  97  -0.942   7.016   5.662
  730   HD13  LEU  97          HD13      LEU  97  -1.189   7.709   7.280
  731   HD21  LEU  97          HD21      LEU  97   0.105   4.262   6.623
  732   HD22  LEU  97          HD22      LEU  97  -1.503   3.495   6.644
  733   HD23  LEU  97          HD23      LEU  97  -1.063   4.578   5.319
  734    H    LYS  98           H        LYS  98   0.454   4.608  11.686
  735    HA   LYS  98           HA       LYS  98   0.739   7.437  12.565
  736    HB2  LYS  98           HB2      LYS  98  -0.726   5.146  13.908
  737    HB3  LYS  98           HB3      LYS  98  -0.425   6.725  14.645
  738    HG2  LYS  98           HG2      LYS  98  -1.995   6.286  12.065
  739    HG3  LYS  98           HG3      LYS  98  -2.693   6.512  13.671
  740    HD2  LYS  98           HD2      LYS  98  -1.627   8.748  13.834
  741    HD3  LYS  98           HD3      LYS  98  -0.968   8.544  12.194
  742    HE2  LYS  98           HE2      LYS  98  -3.265   8.289  11.305
  743    HE3  LYS  98           HE3      LYS  98  -3.922   8.505  12.937
  744    HZ1  LYS  98           HZ1      LYS  98  -2.334  10.496  11.459
  745    HZ2  LYS  98           HZ2      LYS  98  -3.962  10.547  11.691
  746    HZ3  LYS  98           HZ3      LYS  98  -2.943  10.695  12.975
  747    H    HIS  99           H        HIS  99   2.465   4.748  12.032
  748    HA   HIS  99           HA       HIS  99   4.285   5.252  14.308
  749    HB2  HIS  99           HB2      HIS  99   3.296   2.495  13.484
  750    HB3  HIS  99           HB3      HIS  99   4.559   2.824  14.675
  751    HD1  HIS  99           HD1      HIS  99   1.034   2.019  14.630
  752    HD2  HIS  99           HD2      HIS  99   3.512   4.651  16.771
  753    HE1  HIS  99           HE1      HIS  99  -0.225   2.624  16.776
  754    H    SER 100           H        SER 100   4.073   5.701  11.276
  755    HA   SER 100           HA       SER 100   5.849   3.988   9.905
  756    HB2  SER 100           HB2      SER 100   5.904   5.844   8.256
  757    HB3  SER 100           HB3      SER 100   4.254   5.519   8.834
  758    HG   SER 100           HG       SER 100   4.803   7.767   8.830
  759    H    GLY 101           H        GLY 101   6.532   6.254  12.326
  760    HA2  GLY 101           HA2      GLY 101   9.333   5.718  12.266
  761    HA3  GLY 101           HA3      GLY 101   9.031   7.321  11.581
  762    HA   PRO 102           HA       PRO 102   9.657   7.467  16.282
  763    HB2  PRO 102           HB2      PRO 102  11.096   9.877  15.169
  764    HB3  PRO 102           HB3      PRO 102  11.521   8.878  16.601
  765    HG2  PRO 102           HG2      PRO 102  12.818   8.488  14.264
  766    HG3  PRO 102           HG3      PRO 102  12.242   7.071  15.208
  767    HD2  PRO 102           HD2      PRO 102  10.976   8.343  12.779
  768    HD3  PRO 102           HD3      PRO 102  11.175   6.606  13.173
  769    H5'    A   1           H5'        A   1  20.636   3.476  -0.077
  770   H5''    A   1          H5''        A   1  18.945   3.054   0.286
  771    H4'    A   1           H4'        A   1  21.220   1.028   0.364
  772    H3'    A   1           H3'        A   1  20.547   2.210  -1.960
  773    H2'    A   1           H2'        A   1  18.292   2.278  -1.836
  774   HO2'    A   1          HO2'        A   1  18.777  -0.349  -2.803
  775    H1'    A   1           H1'        A   1  17.791  -0.377  -0.693
  776    H8     A   1           H8         A   1  16.495  -0.337   1.641
  777    H61    A   1           H61        A   1  12.851   4.685   1.518
  778    H62    A   1           H62        A   1  13.138   3.145   2.314
  779    H2     A   1           H2         A   1  16.018   5.190  -1.535
  780   HO5'    A   1          HO5'        A   1  20.102   3.820   2.132
  781    H5'    G   2           H5'        G   2  19.086  -3.692  -1.793
  782   H5''    G   2          H5''        G   2  18.848  -2.450  -3.057
  783    H4'    G   2           H4'        G   2  17.156  -2.341  -0.560
  784    H3'    G   2           H3'        G   2  16.516  -4.124  -2.935
  785    H2'    G   2           H2'        G   2  14.251  -3.630  -2.357
  786   HO2'    G   2          HO2'        G   2  14.635  -4.139  -0.067
  787    H1'    G   2           H1'        G   2  15.012  -1.069  -1.212
  788    H8     G   2           H8         G   2  15.646  -1.087  -4.859
  789    H1     G   2           H1         G   2   9.477  -0.201  -3.392
  790    H21    G   2           H21        G   2   9.181  -0.513  -1.191
  791    H22    G   2           H22        G   2  10.504  -0.991  -0.151
  792    H5'    G   3           H5'        G   3  13.779  -6.189  -0.613
  793   H5''    G   3          H5''        G   3  14.375  -7.865  -0.614
  794    H4'    G   3           H4'        G   3  12.156  -7.943  -1.474
  795    H3'    G   3           H3'        G   3  14.389  -8.704  -3.122
  796    H2'    G   3           H2'        G   3  13.962  -7.046  -4.715
  797   HO2'    G   3          HO2'        G   3  12.079  -9.109  -5.258
  798    H1'    G   3           H1'        G   3  11.015  -7.289  -4.006
  799    H8     G   3           H8         G   3  13.818  -4.925  -5.302
  800    H1     G   3           H1         G   3   7.809  -3.300  -6.913
  801    H21    G   3           H21        G   3   6.382  -4.576  -5.801
  802    H22    G   3           H22        G   3   6.945  -5.874  -4.765
  803    H5'    G   4           H5'        G   4  10.710 -11.486  -0.516
  804   H5''    G   4          H5''        G   4  10.439  -9.797  -0.985
  805    H4'    G   4           H4'        G   4  11.592 -10.633   1.722
  806    H3'    G   4           H3'        G   4   9.130 -11.383   1.043
  807    H2'    G   4           H2'        G   4   8.384  -9.436  -0.037
  808   HO2'    G   4          HO2'        G   4   6.895  -9.631   1.710
  809    H1'    G   4           H1'        G   4   9.432  -7.550   1.978
  810    H8     G   4           H8         G   4   8.349  -8.171  -1.485
  811    H1     G   4           H1         G   4  11.770  -2.780  -0.892
  812    H21    G   4           H21        G   4  12.770  -2.738   1.100
  813    H22    G   4           H22        G   4  12.558  -4.031   2.264
  814    H5'    A   5           H5'        A   5   6.382 -10.186   3.753
  815   H5''    A   5          H5''        A   5   5.673 -11.710   4.323
  816    H4'    A   5           H4'        A   5   4.074 -10.542   2.884
  817    H3'    A   5           H3'        A   5   5.291 -13.026   1.666
  818    H2'    A   5           H2'        A   5   4.031 -12.638  -0.287
  819   HO2'    A   5          HO2'        A   5   2.046 -12.051   0.839
  820    H1'    A   5           H1'        A   5   4.321  -9.926  -0.414
  821    H8     A   5           H8         A   5   7.336 -12.011   0.666
  822    H61    A   5           H61        A   5   8.764 -12.241  -5.379
  823    H62    A   5           H62        A   5   9.348 -12.594  -3.765
  824    H2     A   5           H2         A   5   4.737 -10.401  -4.937
  825    H5'    U   6           H5'        U   6  -0.353 -14.457   0.522
  826   H5''    U   6          H5''        U   6   0.919 -15.684   0.600
  827    H4'    U   6           H4'        U   6   0.554 -15.515  -1.706
  828    H3'    U   6           H3'        U   6   2.675 -13.506  -0.991
  829   HO3'    U   6          HO3'        U   6   3.336 -15.597  -0.536
  830    H2'    U   6           H2'        U   6   3.038 -13.174  -3.283
  831   HO2'    U   6          HO2'        U   6   2.897 -15.461  -3.868
  832    H1'    U   6           H1'        U   6   0.370 -13.283  -3.921
  833    H3     U   6           H3         U   6  -0.242  -8.871  -4.079
  834    H5     U   6           H5         U   6   3.326  -9.339  -1.919
  835    H6     U   6           H6         U   6   2.934 -11.694  -1.870
  Start of MODEL    6
    1    H    MET   1           H        MET   1  -3.287 -15.758  11.772
    2    HA   MET   1           HA       MET   1  -4.322 -17.223  10.217
    3    HB2  MET   1           HB2      MET   1  -5.316 -16.581  12.474
    4    HB3  MET   1           HB3      MET   1  -6.453 -15.552  11.591
    5    HG2  MET   1           HG2      MET   1  -6.033 -18.540  11.150
    6    HG3  MET   1           HG3      MET   1  -7.307 -17.840  12.148
    7    HE1  MET   1           HE1      MET   1  -9.082 -19.296  10.910
    8    HE2  MET   1           HE2      MET   1  -9.275 -19.341   9.142
    9    HE3  MET   1           HE3      MET   1  -7.799 -19.991   9.891
   10    H    MET   2           H        MET   2  -6.372 -14.244  10.103
   11    HA   MET   2           HA       MET   2  -6.049 -14.102   7.194
   12    HB2  MET   2           HB2      MET   2  -7.842 -15.832   7.735
   13    HB3  MET   2           HB3      MET   2  -8.820 -14.506   8.385
   14    HG2  MET   2           HG2      MET   2  -8.736 -13.394   6.168
   15    HG3  MET   2           HG3      MET   2  -7.706 -14.690   5.553
   16    HE1  MET   2           HE1      MET   2  -8.468 -17.134   5.114
   17    HE2  MET   2           HE2      MET   2  -9.045 -17.330   6.789
   18    HE3  MET   2           HE3      MET   2 -10.104 -17.759   5.426
   19    H    LEU   3           H        LEU   3  -5.627 -12.496   9.765
   20    HA   LEU   3           HA       LEU   3  -6.969 -10.023   8.874
   21    HB2  LEU   3           HB2      LEU   3  -8.257 -11.220  10.741
   22    HB3  LEU   3           HB3      LEU   3  -6.867 -10.901  11.785
   23    HG   LEU   3           HG       LEU   3  -7.182  -8.429  11.328
   24   HD11  LEU   3          HD11      LEU   3  -8.384  -8.590   9.169
   25   HD12  LEU   3          HD12      LEU   3  -9.734  -9.413   9.980
   26   HD13  LEU   3          HD13      LEU   3  -9.356  -7.720  10.369
   27   HD21  LEU   3          HD21      LEU   3  -9.601  -9.919  12.423
   28   HD22  LEU   3          HD22      LEU   3  -8.127  -9.516  13.334
   29   HD23  LEU   3          HD23      LEU   3  -9.187  -8.218  12.743
   30    H    GLY   4           H        GLY   4  -4.389 -10.849   8.311
   31    HA2  GLY   4           HA2      GLY   4  -2.732  -8.776   9.437
   32    HA3  GLY   4           HA3      GLY   4  -2.327 -10.376  10.089
   33    HA   PRO   5           HA       PRO   5   0.280  -9.880   6.282
   34    HB2  PRO   5           HB2      PRO   5   1.758 -11.867   7.998
   35    HB3  PRO   5           HB3      PRO   5   2.421 -10.532   6.999
   36    HG2  PRO   5           HG2      PRO   5   2.209 -10.236   9.677
   37    HG3  PRO   5           HG3      PRO   5   1.701  -8.898   8.588
   38    HD2  PRO   5           HD2      PRO   5  -0.038 -10.969   9.952
   39    HD3  PRO   5           HD3      PRO   5  -0.283  -9.198   9.824
   40    H    GLU   6           H        GLU   6  -2.016 -12.021   6.954
   41    HA   GLU   6           HA       GLU   6  -1.011 -14.064   5.037
   42    HB2  GLU   6           HB2      GLU   6  -2.515 -14.590   7.628
   43    HB3  GLU   6           HB3      GLU   6  -2.075 -15.812   6.421
   44    HG2  GLU   6           HG2      GLU   6   0.321 -15.337   6.800
   45    HG3  GLU   6           HG3      GLU   6  -0.110 -14.122   8.022
   46    H    GLY   7           H        GLY   7  -3.336 -11.712   5.612
   47    HA2  GLY   7           HA2      GLY   7  -4.981 -12.414   3.473
   48    HA3  GLY   7           HA3      GLY   7  -5.725 -13.156   4.894
   49    H    GLY   8           H        GLY   8  -7.459 -11.587   4.045
   50    HA2  GLY   8           HA2      GLY   8  -7.553  -9.345   5.878
   51    HA3  GLY   8           HA3      GLY   8  -7.426  -8.840   4.185
   52    H    GLU   9           H        GLU   9  -9.650  -8.072   5.494
   53    HA   GLU   9           HA       GLU   9 -11.806  -9.723   4.331
   54    HB2  GLU   9           HB2      GLU   9 -11.629  -8.961   7.278
   55    HB3  GLU   9           HB3      GLU   9 -13.068  -9.611   6.477
   56    HG2  GLU   9           HG2      GLU   9 -11.751 -11.647   5.844
   57    HG3  GLU   9           HG3      GLU   9 -10.396 -11.024   6.807
   58    H    GLY  10           H        GLY  10 -10.486  -6.928   4.023
   59    HA2  GLY  10           HA2      GLY  10 -13.012  -5.350   4.264
   60    HA3  GLY  10           HA3      GLY  10 -11.431  -4.682   4.676
   61    H    PHE  11           H        PHE  11 -12.942  -3.394   2.835
   62    HA   PHE  11           HA       PHE  11 -12.103  -4.194   0.137
   63    HB2  PHE  11           HB2      PHE  11 -13.630  -1.729   0.995
   64    HB3  PHE  11           HB3      PHE  11 -13.524  -2.408  -0.625
   65    HD1  PHE  11           HD1      PHE  11 -13.873  -5.385   0.533
   66    HD2  PHE  11           HD2      PHE  11 -16.067  -1.702   0.899
   67    HE1  PHE  11           HE1      PHE  11 -15.948  -6.663   0.963
   68    HE2  PHE  11           HE2      PHE  11 -18.145  -2.985   1.332
   69    HZ   PHE  11           HZ       PHE  11 -18.086  -5.468   1.370
   70    H    VAL  12           H        VAL  12  -9.952  -3.785   1.729
   71    HA   VAL  12           HA       VAL  12  -8.777  -1.243   0.697
   72    HB   VAL  12           HB       VAL  12  -8.474  -2.456   3.484
   73   HG11  VAL  12          HG11      VAL  12  -7.086  -0.466   3.970
   74   HG12  VAL  12          HG12      VAL  12  -6.343  -1.496   2.740
   75   HG13  VAL  12          HG13      VAL  12  -7.165   0.008   2.256
   76   HG21  VAL  12          HG21      VAL  12  -9.725   0.154   2.534
   77   HG22  VAL  12          HG22      VAL  12 -10.570  -1.226   3.280
   78   HG23  VAL  12          HG23      VAL  12  -9.414  -0.266   4.231
   79    H    VAL  13           H        VAL  13  -6.548  -1.437   0.168
   80    HA   VAL  13           HA       VAL  13  -5.371  -4.153   0.456
   81    HB   VAL  13           HB       VAL  13  -4.577  -4.082  -1.877
   82   HG11  VAL  13          HG11      VAL  13  -7.608  -3.926  -1.644
   83   HG12  VAL  13          HG12      VAL  13  -6.683  -4.742  -2.923
   84   HG13  VAL  13          HG13      VAL  13  -6.610  -5.348  -1.254
   85   HG21  VAL  13          HG21      VAL  13  -6.501  -1.740  -2.197
   86   HG22  VAL  13          HG22      VAL  13  -4.725  -1.648  -2.276
   87   HG23  VAL  13          HG23      VAL  13  -5.624  -2.563  -3.502
   88    H    LYS  14           H        LYS  14  -3.116  -4.246   0.168
   89    HA   LYS  14           HA       LYS  14  -1.704  -1.798   1.020
   90    HB2  LYS  14           HB2      LYS  14  -0.472  -4.510   0.486
   91    HB3  LYS  14           HB3      LYS  14   0.050  -3.259   1.628
   92    HG2  LYS  14           HG2      LYS  14  -2.068  -3.719   2.953
   93    HG3  LYS  14           HG3      LYS  14  -2.402  -5.063   1.842
   94    HD2  LYS  14           HD2      LYS  14  -0.119  -5.998   2.423
   95    HD3  LYS  14           HD3      LYS  14  -0.027  -4.774   3.713
   96    HE2  LYS  14           HE2      LYS  14  -2.230  -5.695   4.584
   97    HE3  LYS  14           HE3      LYS  14  -2.107  -6.965   3.350
   98    HZ1  LYS  14           HZ1      LYS  14  -1.239  -7.716   5.437
   99    HZ2  LYS  14           HZ2      LYS  14  -0.003  -7.605   4.346
  100    HZ3  LYS  14           HZ3      LYS  14  -0.186  -6.454   5.515
  101    H    LEU  15           H        LEU  15   0.229  -1.049  -0.193
  102    HA   LEU  15           HA       LEU  15   0.485  -2.104  -2.948
  103    HB2  LEU  15           HB2      LEU  15  -1.058   0.042  -2.555
  104    HB3  LEU  15           HB3      LEU  15   0.521   0.849  -2.488
  105    HG   LEU  15           HG       LEU  15   1.043  -0.478  -4.667
  106   HD11  LEU  15          HD11      LEU  15  -0.949  -1.059  -6.007
  107   HD12  LEU  15          HD12      LEU  15  -0.935  -2.005  -4.501
  108   HD13  LEU  15          HD13      LEU  15  -2.010  -0.599  -4.654
  109   HD21  LEU  15          HD21      LEU  15  -0.107   1.261  -5.998
  110   HD22  LEU  15          HD22      LEU  15  -1.079   1.676  -4.552
  111   HD23  LEU  15          HD23      LEU  15   0.684   1.917  -4.531
  112    H    ARG  16           H        ARG  16   2.586  -1.946  -3.744
  113    HA   ARG  16           HA       ARG  16   4.636  -0.495  -2.187
  114    HB2  ARG  16           HB2      ARG  16   4.926  -3.464  -2.780
  115    HB3  ARG  16           HB3      ARG  16   6.046  -2.438  -1.887
  116    HG2  ARG  16           HG2      ARG  16   4.355  -2.213  -0.065
  117    HG3  ARG  16           HG3      ARG  16   3.240  -3.228  -1.006
  118    HD2  ARG  16           HD2      ARG  16   4.291  -4.654   0.589
  119    HD3  ARG  16           HD3      ARG  16   4.963  -5.040  -1.006
  120    HE   ARG  16           HE       ARG  16   6.351  -3.408   1.079
  121   HH11  ARG  16          HH11      ARG  16   6.504  -5.718  -1.633
  122   HH12  ARG  16          HH12      ARG  16   8.237  -5.878  -1.511
  123   HH21  ARG  16          HH21      ARG  16   8.587  -3.715   1.220
  124   HH22  ARG  16          HH22      ARG  16   9.395  -4.798   0.109
  125    H    GLY  17           H        GLY  17   6.710  -0.417  -3.387
  126    HA2  GLY  17           HA2      GLY  17   7.933  -1.272  -5.356
  127    HA3  GLY  17           HA3      GLY  17   6.416  -1.214  -6.266
  128    H    LEU  18           H        LEU  18   7.764   0.006  -7.790
  129    HA   LEU  18           HA       LEU  18   8.410   1.909  -8.832
  130    HB2  LEU  18           HB2      LEU  18   6.555   3.212  -6.790
  131    HB3  LEU  18           HB3      LEU  18   7.168   3.993  -8.240
  132    HG   LEU  18           HG       LEU  18   5.370   1.551  -8.154
  133   HD11  LEU  18          HD11      LEU  18   4.996   4.383  -9.211
  134   HD12  LEU  18          HD12      LEU  18   3.810   3.060  -9.308
  135   HD13  LEU  18          HD13      LEU  18   4.277   3.712  -7.725
  136   HD21  LEU  18          HD21      LEU  18   6.892   2.903 -10.409
  137   HD22  LEU  18          HD22      LEU  18   6.808   1.167  -9.991
  138   HD23  LEU  18          HD23      LEU  18   5.403   1.991 -10.709
  139    HA   PRO  19           HA       PRO  19  11.932   3.950  -7.119
  140    HB2  PRO  19           HB2      PRO  19  10.469   6.570  -7.399
  141    HB3  PRO  19           HB3      PRO  19  12.183   6.189  -7.785
  142    HG2  PRO  19           HG2      PRO  19  10.383   6.242  -9.782
  143    HG3  PRO  19           HG3      PRO  19  11.516   4.846  -9.675
  144    HD2  PRO  19           HD2      PRO  19   8.657   5.034  -8.732
  145    HD3  PRO  19           HD3      PRO  19   9.431   3.713  -9.667
  146    H    TRP  20           H        TRP  20  12.672   5.594  -5.349
  147    HA   TRP  20           HA       TRP  20  11.661   4.621  -2.921
  148    HB2  TRP  20           HB2      TRP  20  13.184   7.204  -3.370
  149    HB3  TRP  20           HB3      TRP  20  13.070   6.310  -1.865
  150    HD1  TRP  20           HD1      TRP  20  15.521   7.138  -4.105
  151    HE1  TRP  20           HE1      TRP  20  17.409   5.448  -4.355
  152    HE3  TRP  20           HE3      TRP  20  13.139   2.955  -2.311
  153    HZ2  TRP  20           HZ2      TRP  20  17.912   2.674  -3.630
  154    HZ3  TRP  20           HZ3      TRP  20  14.413   0.829  -2.073
  155    HH2  TRP  20           HH2      TRP  20  16.784   0.730  -2.652
  156    H    SER  21           H        SER  21  10.057   6.792  -4.915
  157    HA   SER  21           HA       SER  21   8.268   7.617  -2.729
  158    HB2  SER  21           HB2      SER  21   8.251   9.957  -3.504
  159    HB3  SER  21           HB3      SER  21   9.863   9.485  -2.923
  160    HG   SER  21           HG       SER  21   9.941  10.599  -4.928
  161    H    CYS  22           H        CYS  22   6.223   8.630  -3.707
  162    HA   CYS  22           HA       CYS  22   5.630   7.878  -6.476
  163    HB2  CYS  22           HB2      CYS  22   5.531   5.742  -5.130
  164    HB3  CYS  22           HB3      CYS  22   4.232   6.472  -4.164
  165    HG   CYS  22           HG       CYS  22   4.373   5.988  -7.438
  166    H    SER  23           H        SER  23   3.078   8.157  -6.765
  167    HA   SER  23           HA       SER  23   2.014  10.300  -5.022
  168    HB2  SER  23           HB2      SER  23   2.240  10.512  -8.049
  169    HB3  SER  23           HB3      SER  23   1.434  11.671  -6.974
  170    HG   SER  23           HG       SER  23   3.584  12.293  -7.501
  171    H    VAL  24           H        VAL  24  -0.284  10.722  -5.429
  172    HA   VAL  24           HA       VAL  24  -1.650   8.214  -5.380
  173    HB   VAL  24           HB       VAL  24  -3.228   9.353  -4.316
  174   HG11  VAL  24          HG11      VAL  24  -1.502  11.827  -4.720
  175   HG12  VAL  24          HG12      VAL  24  -2.713  11.560  -3.449
  176   HG13  VAL  24          HG13      VAL  24  -1.232  10.583  -3.472
  177   HG21  VAL  24          HG21      VAL  24  -4.400  10.066  -6.257
  178   HG22  VAL  24          HG22      VAL  24  -4.329  11.405  -5.107
  179   HG23  VAL  24          HG23      VAL  24  -3.257  11.417  -6.526
  180    H    GLU  25           H        GLU  25  -0.943  10.367  -8.041
  181    HA   GLU  25           HA       GLU  25  -3.295   9.587  -9.590
  182    HB2  GLU  25           HB2      GLU  25  -0.718  11.022 -10.350
  183    HB3  GLU  25           HB3      GLU  25  -2.136  10.808 -11.398
  184    HG2  GLU  25           HG2      GLU  25  -3.531  12.027  -9.734
  185    HG3  GLU  25           HG3      GLU  25  -2.095  12.283  -8.729
  186    H    ASP  26           H        ASP  26   0.005   8.377  -9.128
  187    HA   ASP  26           HA       ASP  26  -0.072   6.785 -11.585
  188    HB2  ASP  26           HB2      ASP  26   1.770   6.732  -9.157
  189    HB3  ASP  26           HB3      ASP  26   2.022   5.829 -10.662
  190    H    VAL  27           H        VAL  27  -0.618   6.300  -8.068
  191    HA   VAL  27           HA       VAL  27  -0.880   3.461  -8.227
  192    HB   VAL  27           HB       VAL  27  -1.906   3.745  -5.963
  193   HG11  VAL  27          HG11      VAL  27   0.112   4.635  -4.911
  194   HG12  VAL  27          HG12      VAL  27   0.560   3.636  -6.314
  195   HG13  VAL  27          HG13      VAL  27   0.595   5.410  -6.435
  196   HG21  VAL  27          HG21      VAL  27  -1.543   6.673  -6.549
  197   HG22  VAL  27          HG22      VAL  27  -3.098   5.843  -6.289
  198   HG23  VAL  27          HG23      VAL  27  -1.931   5.982  -4.956
  199    H    GLN  28           H        GLN  28  -3.259   6.139  -8.685
  200    HA   GLN  28           HA       GLN  28  -5.457   4.217  -8.766
  201    HB2  GLN  28           HB2      GLN  28  -6.825   6.130  -9.385
  202    HB3  GLN  28           HB3      GLN  28  -5.812   6.509  -7.981
  203    HG2  GLN  28           HG2      GLN  28  -4.212   7.659  -9.500
  204    HG3  GLN  28           HG3      GLN  28  -5.297   7.359 -10.864
  205   HE21  GLN  28          HE21      GLN  28  -5.015   8.990  -7.696
  206   HE22  GLN  28          HE22      GLN  28  -6.240  10.202  -8.005
  207    H    ASN  29           H        ASN  29  -3.190   5.646 -11.086
  208    HA   ASN  29           HA       ASN  29  -4.656   4.922 -13.453
  209    HB2  ASN  29           HB2      ASN  29  -3.004   6.260 -14.198
  210    HB3  ASN  29           HB3      ASN  29  -2.081   6.055 -12.706
  211   HD21  ASN  29          HD21      ASN  29  -0.598   4.280 -12.487
  212   HD22  ASN  29          HD22      ASN  29   0.105   3.553 -13.915
  213    H    PHE  30           H        PHE  30  -2.738   3.112 -11.144
  214    HA   PHE  30           HA       PHE  30  -2.216   0.900 -13.010
  215    HB2  PHE  30           HB2      PHE  30  -0.480   1.550 -11.534
  216    HB3  PHE  30           HB3      PHE  30  -1.545   1.548 -10.134
  217    HD1  PHE  30           HD1      PHE  30  -0.462  -0.889 -12.809
  218    HD2  PHE  30           HD2      PHE  30  -1.283  -0.165  -8.650
  219    HE1  PHE  30           HE1      PHE  30   0.229  -3.213 -12.265
  220    HE2  PHE  30           HE2      PHE  30  -0.610  -2.482  -8.108
  221    HZ   PHE  30           HZ       PHE  30   0.175  -4.002  -9.916
  222    H    LEU  31           H        LEU  31  -4.380   1.658 -10.269
  223    HA   LEU  31           HA       LEU  31  -5.558  -1.054 -10.400
  224    HB2  LEU  31           HB2      LEU  31  -5.845   1.321  -8.569
  225    HB3  LEU  31           HB3      LEU  31  -7.117   0.107  -8.632
  226    HG   LEU  31           HG       LEU  31  -5.695  -1.662  -7.948
  227   HD11  LEU  31          HD11      LEU  31  -3.616  -1.133  -9.078
  228   HD12  LEU  31          HD12      LEU  31  -3.396   0.321  -8.063
  229   HD13  LEU  31          HD13      LEU  31  -3.320  -1.307  -7.343
  230   HD21  LEU  31          HD21      LEU  31  -5.134   0.822  -6.281
  231   HD22  LEU  31          HD22      LEU  31  -6.608  -0.172  -6.199
  232   HD23  LEU  31          HD23      LEU  31  -5.042  -0.862  -5.714
  233    H    SER  32           H        SER  32  -5.883  -0.287 -12.809
  234    HA   SER  32           HA       SER  32  -7.934   1.478 -13.514
  235    HB2  SER  32           HB2      SER  32  -6.359   0.345 -15.072
  236    HB3  SER  32           HB3      SER  32  -7.237  -1.181 -14.817
  237    HG   SER  32           HG       SER  32  -7.961  -0.026 -16.672
  238    H    ASP  33           H        ASP  33 -10.090   1.136 -14.074
  239    HA   ASP  33           HA       ASP  33 -12.229   0.688 -13.602
  240    HB2  ASP  33           HB2      ASP  33 -11.253  -2.174 -13.360
  241    HB3  ASP  33           HB3      ASP  33 -12.934  -1.665 -13.552
  242    H    CYS  34           H        CYS  34  -9.962   0.329 -11.090
  243    HA   CYS  34           HA       CYS  34 -11.921  -0.472  -9.056
  244    HB2  CYS  34           HB2      CYS  34  -9.084   0.586  -8.836
  245    HB3  CYS  34           HB3      CYS  34 -10.025  -0.131  -7.523
  246    HG   CYS  34           HG       CYS  34  -9.241  -1.523 -10.416
  247    H    THR  35           H        THR  35 -11.618   1.062  -6.982
  248    HA   THR  35           HA       THR  35 -11.867   3.928  -7.707
  249    HB   THR  35           HB       THR  35 -13.795   2.277  -6.012
  250    HG1  THR  35           HG1      THR  35 -14.133   3.755  -8.414
  251   HG21  THR  35          HG21      THR  35 -15.053   4.423  -5.799
  252   HG22  THR  35          HG22      THR  35 -13.486   4.448  -4.970
  253   HG23  THR  35          HG23      THR  35 -13.671   5.273  -6.539
  254    H    ILE  36           H        ILE  36 -11.281   5.302  -5.878
  255    HA   ILE  36           HA       ILE  36  -9.573   3.815  -3.950
  256    HB   ILE  36           HB       ILE  36  -9.028   6.545  -5.175
  257   HG12  ILE  36          HG12      ILE  36  -6.960   5.044  -5.964
  258   HG13  ILE  36          HG13      ILE  36  -8.142   3.736  -5.833
  259   HG21  ILE  36          HG21      ILE  36  -8.014   6.449  -2.979
  260   HG22  ILE  36          HG22      ILE  36  -7.487   4.774  -3.241
  261   HG23  ILE  36          HG23      ILE  36  -6.746   6.115  -4.153
  262   HD11  ILE  36          HD11      ILE  36  -8.412   6.287  -7.484
  263   HD12  ILE  36          HD12      ILE  36  -8.034   4.671  -8.115
  264   HD13  ILE  36          HD13      ILE  36  -9.632   4.994  -7.415
  265    H    HIS  37           H        HIS  37 -12.186   4.120  -3.419
  266    HA   HIS  37           HA       HIS  37 -13.646   4.682  -1.811
  267    HB2  HIS  37           HB2      HIS  37 -11.628   4.105  -0.467
  268    HB3  HIS  37           HB3      HIS  37 -11.300   5.832  -0.320
  269    HD1  HIS  37           HD1      HIS  37 -13.599   3.113   1.006
  270    HD2  HIS  37           HD2      HIS  37 -13.088   7.274   1.173
  271    HE1  HIS  37           HE1      HIS  37 -15.048   3.944   2.944
  272    H    ASP  38           H        ASP  38 -11.443   7.465  -2.374
  273    HA   ASP  38           HA       ASP  38 -13.780   9.089  -3.129
  274    HB2  ASP  38           HB2      ASP  38 -11.801   9.848  -0.936
  275    HB3  ASP  38           HB3      ASP  38 -12.785  11.025  -1.815
  276    H    GLY  39           H        GLY  39 -10.698   7.914  -3.786
  277    HA2  GLY  39           HA2      GLY  39  -9.523   8.511  -5.781
  278    HA3  GLY  39           HA3      GLY  39 -10.157  10.155  -5.656
  279    H    ALA  40           H        ALA  40  -8.480  11.478  -5.337
  280    HA   ALA  40           HA       ALA  40  -6.075  10.872  -3.960
  281    HB1  ALA  40           HB1      ALA  40  -7.437  13.539  -4.510
  282    HB2  ALA  40           HB2      ALA  40  -5.720  13.318  -4.098
  283    HB3  ALA  40           HB3      ALA  40  -6.354  12.677  -5.630
  284    H    ALA  41           H        ALA  41  -9.012  10.831  -2.580
  285    HA   ALA  41           HA       ALA  41  -8.078  11.973   0.002
  286    HB1  ALA  41           HB1      ALA  41 -10.485  12.328   0.504
  287    HB2  ALA  41           HB2      ALA  41  -9.930  13.254  -0.911
  288    HB3  ALA  41           HB3      ALA  41 -10.880  11.772  -1.140
  289    H    GLY  42           H        GLY  42  -7.951   9.177  -1.396
  290    HA2  GLY  42           HA2      GLY  42  -8.636   7.713   1.098
  291    HA3  GLY  42           HA3      GLY  42  -9.185   7.088  -0.467
  292    H    VAL  43           H        VAL  43  -6.280   8.628  -1.081
  293    HA   VAL  43           HA       VAL  43  -4.788   6.150  -1.266
  294    HB   VAL  43           HB       VAL  43  -4.621   8.308  -2.753
  295   HG11  VAL  43          HG11      VAL  43  -2.968   9.933  -2.037
  296   HG12  VAL  43          HG12      VAL  43  -4.271   9.867  -0.837
  297   HG13  VAL  43          HG13      VAL  43  -2.708   9.080  -0.510
  298   HG21  VAL  43          HG21      VAL  43  -2.106   6.949  -1.704
  299   HG22  VAL  43          HG22      VAL  43  -3.190   6.310  -2.961
  300   HG23  VAL  43          HG23      VAL  43  -2.276   7.802  -3.245
  301    H    HIS  44           H        HIS  44  -2.634   5.845  -0.182
  302    HA   HIS  44           HA       HIS  44  -2.117   7.469   2.226
  303    HB2  HIS  44           HB2      HIS  44  -2.693   4.490   2.247
  304    HB3  HIS  44           HB3      HIS  44  -1.762   5.301   3.509
  305    HD1  HIS  44           HD1      HIS  44  -3.205   7.360   4.831
  306    HD2  HIS  44           HD2      HIS  44  -5.270   4.464   2.601
  307    HE1  HIS  44           HE1      HIS  44  -5.626   7.423   5.630
  308    H    PHE  45           H        PHE  45   0.042   7.286   2.953
  309    HA   PHE  45           HA       PHE  45   1.922   5.468   1.607
  310    HB2  PHE  45           HB2      PHE  45   2.154   8.506   1.535
  311    HB3  PHE  45           HB3      PHE  45   3.424   7.379   1.069
  312    HD1  PHE  45           HD1      PHE  45   3.141   5.925  -0.958
  313    HD2  PHE  45           HD2      PHE  45   0.379   9.071   0.025
  314    HE1  PHE  45           HE1      PHE  45   2.247   5.867  -3.273
  315    HE2  PHE  45           HE2      PHE  45  -0.498   9.021  -2.289
  316    HZ   PHE  45           HZ       PHE  45   0.428   7.418  -3.943
  317    H    ILE  46           H        ILE  46   4.058   5.541   2.738
  318    HA   ILE  46           HA       ILE  46   3.960   6.803   5.422
  319    HB   ILE  46           HB       ILE  46   4.702   3.882   4.954
  320   HG12  ILE  46          HG12      ILE  46   2.645   3.751   6.674
  321   HG13  ILE  46          HG13      ILE  46   2.138   5.206   5.828
  322   HG21  ILE  46          HG21      ILE  46   4.777   3.830   7.431
  323   HG22  ILE  46          HG22      ILE  46   5.945   4.996   6.775
  324   HG23  ILE  46          HG23      ILE  46   4.413   5.568   7.478
  325   HD11  ILE  46          HD11      ILE  46   2.252   3.899   3.680
  326   HD12  ILE  46          HD12      ILE  46   2.774   2.475   4.622
  327   HD13  ILE  46          HD13      ILE  46   1.160   3.156   4.860
  328    H    TYR  47           H        TYR  47   5.763   7.902   5.778
  329    HA   TYR  47           HA       TYR  47   8.325   7.165   4.525
  330    HB2  TYR  47           HB2      TYR  47   8.492   9.344   3.389
  331    HB3  TYR  47           HB3      TYR  47   7.176   8.354   2.755
  332    HD1  TYR  47           HD1      TYR  47   8.033  11.381   4.674
  333    HD2  TYR  47           HD2      TYR  47   4.852   8.975   3.072
  334    HE1  TYR  47           HE1      TYR  47   6.438  13.237   5.079
  335    HE2  TYR  47           HE2      TYR  47   3.245  10.831   3.462
  336    HH   TYR  47           HH       TYR  47   2.956  12.964   4.245
  337    H    THR  48           H        THR  48   9.864   9.233   4.980
  338    HA   THR  48           HA       THR  48   9.285  10.384   7.656
  339    HB   THR  48           HB       THR  48  11.606   9.864   8.365
  340    HG1  THR  48           HG1      THR  48  12.740   8.309   7.147
  341   HG21  THR  48          HG21      THR  48   9.723   8.393   9.014
  342   HG22  THR  48          HG22      THR  48  10.044   7.382   7.580
  343   HG23  THR  48          HG23      THR  48  11.263   7.512   8.873
  344    H    ARG  49           H        ARG  49  11.110  11.972   8.231
  345    HA   ARG  49           HA       ARG  49  11.144  14.034   6.306
  346    HB2  ARG  49           HB2      ARG  49  12.517  15.212   7.909
  347    HB3  ARG  49           HB3      ARG  49  11.264  14.284   8.743
  348    HG2  ARG  49           HG2      ARG  49  13.103  13.888  10.071
  349    HG3  ARG  49           HG3      ARG  49  13.100  12.453   9.036
  350    HD2  ARG  49           HD2      ARG  49  14.850  13.505   7.610
  351    HD3  ARG  49           HD3      ARG  49  14.788  14.961   8.618
  352    HE   ARG  49           HE       ARG  49  15.298  12.697  10.275
  353   HH11  ARG  49          HH11      ARG  49  16.874  14.678   7.804
  354   HH12  ARG  49          HH12      ARG  49  18.482  14.358   8.407
  355   HH21  ARG  49          HH21      ARG  49  17.413  12.302  11.043
  356   HH22  ARG  49          HH22      ARG  49  18.784  13.025  10.236
  357    H    GLU  50           H        GLU  50  13.263  11.304   6.720
  358    HA   GLU  50           HA       GLU  50  15.560  12.179   5.353
  359    HB2  GLU  50           HB2      GLU  50  14.229   9.445   5.315
  360    HB3  GLU  50           HB3      GLU  50  15.898   9.791   4.823
  361    HG2  GLU  50           HG2      GLU  50  16.397  10.632   7.104
  362    HG3  GLU  50           HG3      GLU  50  14.738  10.258   7.604
  363    H    GLY  51           H        GLY  51  12.333  11.564   4.022
  364    HA2  GLY  51           HA2      GLY  51  11.738  12.638   2.006
  365    HA3  GLY  51           HA3      GLY  51  13.413  12.577   1.454
  366    H    ARG  52           H        ARG  52  12.001   9.590   2.741
  367    HA   ARG  52           HA       ARG  52  11.328   8.604   0.041
  368    HB2  ARG  52           HB2      ARG  52  13.402   7.321   1.871
  369    HB3  ARG  52           HB3      ARG  52  12.776   6.625   0.369
  370    HG2  ARG  52           HG2      ARG  52  13.699   8.570  -0.898
  371    HG3  ARG  52           HG3      ARG  52  14.387   9.205   0.612
  372    HD2  ARG  52           HD2      ARG  52  15.019   6.508  -0.647
  373    HD3  ARG  52           HD3      ARG  52  16.072   7.932  -0.681
  374    HE   ARG  52           HE       ARG  52  15.630   6.090   1.548
  375   HH11  ARG  52          HH11      ARG  52  16.753   9.314   0.623
  376   HH12  ARG  52          HH12      ARG  52  17.713   9.521   2.069
  377   HH21  ARG  52          HH21      ARG  52  16.886   6.387   3.421
  378   HH22  ARG  52          HH22      ARG  52  17.791   7.864   3.647
  379    H    GLN  53           H        GLN  53  10.320   6.393   0.207
  380    HA   GLN  53           HA       GLN  53   8.379   6.308   2.301
  381    HB2  GLN  53           HB2      GLN  53   9.327   4.128   0.392
  382    HB3  GLN  53           HB3      GLN  53   7.875   4.040   1.402
  383    HG2  GLN  53           HG2      GLN  53   8.396   6.082  -0.795
  384    HG3  GLN  53           HG3      GLN  53   7.303   4.699  -0.898
  385   HE21  GLN  53          HE21      GLN  53   7.630   8.000   0.011
  386   HE22  GLN  53          HE22      GLN  53   6.078   8.187   0.800
  387    H    SER  54           H        SER  54   8.104   4.648   3.934
  388    HA   SER  54           HA       SER  54  10.556   3.247   4.817
  389    HB2  SER  54           HB2      SER  54  10.305   4.132   7.103
  390    HB3  SER  54           HB3      SER  54  10.587   5.450   5.945
  391    HG   SER  54           HG       SER  54   8.835   5.835   7.434
  392    H    GLY  55           H        GLY  55   7.453   3.009   3.931
  393    HA2  GLY  55           HA2      GLY  55   7.020   0.509   5.307
  394    HA3  GLY  55           HA3      GLY  55   5.925   1.793   5.874
  395    H    GLU  56           H        GLU  56   7.122   1.867   2.571
  396    HA   GLU  56           HA       GLU  56   5.968   2.018   0.613
  397    HB2  GLU  56           HB2      GLU  56   4.749  -0.546   1.665
  398    HB3  GLU  56           HB3      GLU  56   4.735   0.013  -0.020
  399    HG2  GLU  56           HG2      GLU  56   7.224  -0.577   1.635
  400    HG3  GLU  56           HG3      GLU  56   6.560  -1.593   0.353
  401    H    ALA  57           H        ALA  57   2.996   0.716   0.643
  402    HA   ALA  57           HA       ALA  57   1.653   3.080   1.800
  403    HB1  ALA  57           HB1      ALA  57   0.752   3.674  -0.484
  404    HB2  ALA  57           HB2      ALA  57   2.511   3.881  -0.355
  405    HB3  ALA  57           HB3      ALA  57   1.838   2.464  -1.185
  406    H    PHE  58           H        PHE  58  -0.728   3.082   0.843
  407    HA   PHE  58           HA       PHE  58  -1.853   0.370   0.485
  408    HB2  PHE  58           HB2      PHE  58  -2.836   2.336   2.588
  409    HB3  PHE  58           HB3      PHE  58  -3.596   0.814   2.171
  410    HD1  PHE  58           HD1      PHE  58  -0.791   2.416   3.890
  411    HD2  PHE  58           HD2      PHE  58  -2.701  -1.322   2.975
  412    HE1  PHE  58           HE1      PHE  58   0.459   1.341   5.716
  413    HE2  PHE  58           HE2      PHE  58  -1.407  -2.427   4.792
  414    HZ   PHE  58           HZ       PHE  58   0.170  -1.104   6.168
  415    H    VAL  59           H        VAL  59  -4.246   0.589  -0.019
  416    HA   VAL  59           HA       VAL  59  -5.044   3.216  -1.116
  417    HB   VAL  59           HB       VAL  59  -5.064   0.655  -2.776
  418   HG11  VAL  59          HG11      VAL  59  -5.791   2.165  -4.585
  419   HG12  VAL  59          HG12      VAL  59  -6.930   2.236  -3.226
  420   HG13  VAL  59          HG13      VAL  59  -5.741   3.542  -3.467
  421   HG21  VAL  59          HG21      VAL  59  -3.323   3.145  -3.047
  422   HG22  VAL  59          HG22      VAL  59  -2.759   1.508  -2.628
  423   HG23  VAL  59          HG23      VAL  59  -3.430   1.822  -4.236
  424    H    GLU  60           H        GLU  60  -6.879   3.492   0.125
  425    HA   GLU  60           HA       GLU  60  -8.626   1.294   0.833
  426    HB2  GLU  60           HB2      GLU  60  -9.125   4.302   0.727
  427    HB3  GLU  60           HB3      GLU  60 -10.203   3.103   1.464
  428    HG2  GLU  60           HG2      GLU  60  -8.369   2.448   3.024
  429    HG3  GLU  60           HG3      GLU  60  -7.362   3.740   2.347
  430    H    LEU  61           H        LEU  61 -10.748   0.856  -0.059
  431    HA   LEU  61           HA       LEU  61 -11.196   2.004  -2.775
  432    HB2  LEU  61           HB2      LEU  61 -11.807  -0.865  -2.128
  433    HB3  LEU  61           HB3      LEU  61 -11.684  -0.099  -3.701
  434    HG   LEU  61           HG       LEU  61  -9.245  -0.378  -1.890
  435   HD11  LEU  61          HD11      LEU  61 -10.197  -2.255  -4.060
  436   HD12  LEU  61          HD12      LEU  61  -8.688  -2.390  -3.133
  437   HD13  LEU  61          HD13      LEU  61 -10.256  -2.591  -2.312
  438   HD21  LEU  61          HD21      LEU  61  -9.595  -0.067  -4.909
  439   HD22  LEU  61          HD22      LEU  61  -9.076   1.220  -3.796
  440   HD23  LEU  61          HD23      LEU  61  -8.045  -0.204  -4.046
  441    H    GLY  62           H        GLY  62 -13.559   0.725  -3.398
  442    HA2  GLY  62           HA2      GLY  62 -15.333   1.987  -1.354
  443    HA3  GLY  62           HA3      GLY  62 -15.610   1.938  -3.102
  444    H    SER  63           H        SER  63 -14.777  -1.006  -3.234
  445    HA   SER  63           HA       SER  63 -16.985  -2.280  -1.729
  446    HB2  SER  63           HB2      SER  63 -16.851  -2.222  -4.774
  447    HB3  SER  63           HB3      SER  63 -17.961  -3.219  -3.810
  448    HG   SER  63           HG       SER  63 -18.917  -1.260  -4.520
  449    H    GLU  64           H        GLU  64 -17.066  -4.657  -2.146
  450    HA   GLU  64           HA       GLU  64 -14.538  -5.917  -1.885
  451    HB2  GLU  64           HB2      GLU  64 -16.639  -6.899  -1.084
  452    HB3  GLU  64           HB3      GLU  64 -17.273  -6.970  -2.730
  453    HG2  GLU  64           HG2      GLU  64 -15.555  -8.586  -3.373
  454    HG3  GLU  64           HG3      GLU  64 -14.788  -8.447  -1.775
  455    H    ASP  65           H        ASP  65 -16.473  -5.085  -4.770
  456    HA   ASP  65           HA       ASP  65 -15.078  -6.913  -6.483
  457    HB2  ASP  65           HB2      ASP  65 -17.324  -5.842  -6.911
  458    HB3  ASP  65           HB3      ASP  65 -16.478  -4.322  -7.249
  459    H    ASP  66           H        ASP  66 -14.318  -3.701  -5.206
  460    HA   ASP  66           HA       ASP  66 -12.324  -3.092  -7.237
  461    HB2  ASP  66           HB2      ASP  66 -12.858  -1.961  -4.459
  462    HB3  ASP  66           HB3      ASP  66 -11.740  -1.276  -5.639
  463    H    VAL  67           H        VAL  67 -12.336  -4.516  -3.915
  464    HA   VAL  67           HA       VAL  67  -9.452  -4.568  -3.765
  465    HB   VAL  67           HB       VAL  67 -10.492  -4.637  -1.695
  466   HG11  VAL  67          HG11      VAL  67 -12.239  -6.935  -2.564
  467   HG12  VAL  67          HG12      VAL  67 -12.192  -6.186  -0.953
  468   HG13  VAL  67          HG13      VAL  67 -12.738  -5.225  -2.335
  469   HG21  VAL  67          HG21      VAL  67  -8.643  -6.312  -1.888
  470   HG22  VAL  67          HG22      VAL  67  -9.856  -6.723  -0.652
  471   HG23  VAL  67          HG23      VAL  67  -9.870  -7.563  -2.216
  472    H    LYS  68           H        LYS  68 -11.934  -6.903  -4.892
  473    HA   LYS  68           HA       LYS  68 -10.158  -9.038  -5.445
  474    HB2  LYS  68           HB2      LYS  68 -12.745  -8.067  -6.712
  475    HB3  LYS  68           HB3      LYS  68 -11.949  -9.585  -7.180
  476    HG2  LYS  68           HG2      LYS  68 -12.186 -10.514  -4.996
  477    HG3  LYS  68           HG3      LYS  68 -12.601  -8.954  -4.287
  478    HD2  LYS  68           HD2      LYS  68 -14.567 -10.359  -4.447
  479    HD3  LYS  68           HD3      LYS  68 -14.755  -8.934  -5.476
  480    HE2  LYS  68           HE2      LYS  68 -13.832 -11.625  -6.544
  481    HE3  LYS  68           HE3      LYS  68 -15.540 -11.176  -6.395
  482    HZ1  LYS  68           HZ1      LYS  68 -13.553  -9.721  -7.999
  483    HZ2  LYS  68           HZ2      LYS  68 -14.737 -10.705  -8.576
  484    HZ3  LYS  68           HZ3      LYS  68 -15.136  -9.300  -7.820
  485    H    MET  69           H        MET  69 -11.185  -6.248  -7.502
  486    HA   MET  69           HA       MET  69  -9.626  -7.057  -9.762
  487    HB2  MET  69           HB2      MET  69 -10.922  -4.461  -8.890
  488    HB3  MET  69           HB3      MET  69  -9.940  -4.565 -10.360
  489    HG2  MET  69           HG2      MET  69 -11.357  -6.528 -11.078
  490    HG3  MET  69           HG3      MET  69 -12.438  -6.170  -9.731
  491    HE1  MET  69           HE1      MET  69 -12.196  -2.835  -9.860
  492    HE2  MET  69           HE2      MET  69 -13.714  -2.552 -10.737
  493    HE3  MET  69           HE3      MET  69 -13.650  -3.784  -9.454
  494    H    ALA  70           H        ALA  70  -8.807  -5.183  -6.843
  495    HA   ALA  70           HA       ALA  70  -6.402  -4.054  -7.962
  496    HB1  ALA  70           HB1      ALA  70  -7.575  -3.078  -6.033
  497    HB2  ALA  70           HB2      ALA  70  -7.244  -4.544  -5.080
  498    HB3  ALA  70           HB3      ALA  70  -5.901  -3.502  -5.611
  499    H    LEU  71           H        LEU  71  -7.207  -7.149  -6.434
  500    HA   LEU  71           HA       LEU  71  -4.432  -7.872  -5.938
  501    HB2  LEU  71           HB2      LEU  71  -7.037  -9.436  -5.880
  502    HB3  LEU  71           HB3      LEU  71  -5.471 -10.057  -5.317
  503    HG   LEU  71           HG       LEU  71  -6.752  -7.510  -4.239
  504   HD11  LEU  71          HD11      LEU  71  -6.792 -10.320  -3.085
  505   HD12  LEU  71          HD12      LEU  71  -7.382  -8.848  -2.273
  506   HD13  LEU  71          HD13      LEU  71  -8.191  -9.431  -3.746
  507   HD21  LEU  71          HD21      LEU  71  -4.479  -9.229  -3.217
  508   HD22  LEU  71          HD22      LEU  71  -4.347  -7.609  -3.951
  509   HD23  LEU  71          HD23      LEU  71  -5.187  -7.805  -2.402
  510    H    LYS  72           H        LYS  72  -6.530  -7.935  -8.683
  511    HA   LYS  72           HA       LYS  72  -5.377 -10.179 -10.053
  512    HB2  LYS  72           HB2      LYS  72  -6.608  -7.661 -11.220
  513    HB3  LYS  72           HB3      LYS  72  -6.331  -9.185 -12.076
  514    HG2  LYS  72           HG2      LYS  72  -8.228  -8.718  -9.752
  515    HG3  LYS  72           HG3      LYS  72  -8.665  -9.049 -11.434
  516    HD2  LYS  72           HD2      LYS  72  -7.631 -11.309 -11.248
  517    HD3  LYS  72           HD3      LYS  72  -7.190 -10.957  -9.564
  518    HE2  LYS  72           HE2      LYS  72  -9.202 -12.261  -9.544
  519    HE3  LYS  72           HE3      LYS  72  -9.588 -10.612  -9.017
  520    HZ1  LYS  72           HZ1      LYS  72 -10.400 -10.172 -11.240
  521    HZ2  LYS  72           HZ2      LYS  72 -10.022 -11.701 -11.724
  522    HZ3  LYS  72           HZ3      LYS  72 -11.191 -11.464 -10.593
  523    H    LYS  73           H        LYS  73  -3.807  -7.306  -9.171
  524    HA   LYS  73           HA       LYS  73  -1.778  -7.751 -11.293
  525    HB2  LYS  73           HB2      LYS  73  -1.450  -5.354 -11.524
  526    HB3  LYS  73           HB3      LYS  73  -3.101  -5.789 -11.958
  527    HG2  LYS  73           HG2      LYS  73  -2.480  -4.904  -9.135
  528    HG3  LYS  73           HG3      LYS  73  -2.487  -3.715 -10.438
  529    HD2  LYS  73           HD2      LYS  73  -4.828  -5.539  -9.828
  530    HD3  LYS  73           HD3      LYS  73  -4.653  -3.882  -9.243
  531    HE2  LYS  73           HE2      LYS  73  -4.491  -3.074 -11.599
  532    HE3  LYS  73           HE3      LYS  73  -4.719  -4.735 -12.169
  533    HZ1  LYS  73           HZ1      LYS  73  -6.775  -3.542 -12.200
  534    HZ2  LYS  73           HZ2      LYS  73  -6.865  -4.736 -11.070
  535    HZ3  LYS  73           HZ3      LYS  73  -6.662  -3.178 -10.599
  536    H    ASP  74           H        ASP  74  -2.120  -8.613  -8.532
  537    HA   ASP  74           HA       ASP  74  -0.841  -7.267  -6.566
  538    HB2  ASP  74           HB2      ASP  74  -0.596  -9.349  -5.456
  539    HB3  ASP  74           HB3      ASP  74  -2.072  -9.415  -6.428
  540    H    ARG  75           H        ARG  75   1.004  -8.537  -9.289
  541    HA   ARG  75           HA       ARG  75   3.372  -7.371  -7.966
  542    HB2  ARG  75           HB2      ARG  75   3.521 -10.165  -9.085
  543    HB3  ARG  75           HB3      ARG  75   4.830  -9.206  -8.359
  544    HG2  ARG  75           HG2      ARG  75   3.769  -9.239  -6.187
  545    HG3  ARG  75           HG3      ARG  75   2.380 -10.147  -6.850
  546    HD2  ARG  75           HD2      ARG  75   3.947 -11.662  -5.790
  547    HD3  ARG  75           HD3      ARG  75   3.862 -11.955  -7.540
  548    HE   ARG  75           HE       ARG  75   6.112 -10.684  -6.056
  549   HH11  ARG  75          HH11      ARG  75   4.878 -12.169  -9.029
  550   HH12  ARG  75          HH12      ARG  75   6.456 -12.252  -9.770
  551   HH21  ARG  75          HH21      ARG  75   8.145 -10.803  -7.057
  552   HH22  ARG  75          HH22      ARG  75   8.298 -11.490  -8.656
  553    H    GLU  76           H        GLU  76   1.441  -7.413 -10.618
  554    HA   GLU  76           HA       GLU  76   3.524  -7.608 -12.674
  555    HB2  GLU  76           HB2      GLU  76   1.775  -7.168 -14.262
  556    HB3  GLU  76           HB3      GLU  76   1.287  -8.441 -13.131
  557    HG2  GLU  76           HG2      GLU  76  -0.059  -6.831 -11.865
  558    HG3  GLU  76           HG3      GLU  76   0.491  -5.523 -12.894
  559    H    SER  77           H        SER  77   2.749  -5.540 -14.425
  560    HA   SER  77           HA       SER  77   3.965  -3.231 -12.972
  561    HB2  SER  77           HB2      SER  77   4.739  -4.475 -15.633
  562    HB3  SER  77           HB3      SER  77   5.422  -2.968 -14.980
  563    HG   SER  77           HG       SER  77   6.690  -4.848 -14.528
  564    H    MET  78           H        MET  78   3.663  -1.163 -13.950
  565    HA   MET  78           HA       MET  78   1.100  -0.693 -15.164
  566    HB2  MET  78           HB2      MET  78   3.619   1.012 -14.935
  567    HB3  MET  78           HB3      MET  78   2.057   1.618 -15.505
  568    HG2  MET  78           HG2      MET  78   1.023   1.187 -13.366
  569    HG3  MET  78           HG3      MET  78   2.478   0.374 -12.771
  570    HE1  MET  78           HE1      MET  78   2.078   1.933 -10.649
  571    HE2  MET  78           HE2      MET  78   2.286   3.701 -10.652
  572    HE3  MET  78           HE3      MET  78   0.843   2.983 -11.382
  573    H    GLY  79           H        GLY  79   4.182  -1.622 -16.427
  574    HA2  GLY  79           HA2      GLY  79   3.980  -2.343 -18.865
  575    HA3  GLY  79           HA3      GLY  79   3.502  -0.653 -19.156
  576    H    HIS  80           H        HIS  80   5.563  -0.269 -16.679
  577    HA   HIS  80           HA       HIS  80   8.079  -0.534 -18.181
  578    HB2  HIS  80           HB2      HIS  80   7.041   1.628 -18.865
  579    HB3  HIS  80           HB3      HIS  80   7.037   2.139 -17.171
  580    HD1  HIS  80           HD1      HIS  80   8.986   3.854 -16.929
  581    HD2  HIS  80           HD2      HIS  80   9.872   0.553 -19.374
  582    HE1  HIS  80           HE1      HIS  80  11.421   4.114 -17.643
  583    H    ARG  81           H        ARG  81   6.350  -0.472 -15.162
  584    HA   ARG  81           HA       ARG  81   8.876  -1.103 -13.835
  585    HB2  ARG  81           HB2      ARG  81   8.645   1.400 -13.666
  586    HB3  ARG  81           HB3      ARG  81   7.122   1.158 -12.793
  587    HG2  ARG  81           HG2      ARG  81   8.921   1.553 -11.198
  588    HG3  ARG  81           HG3      ARG  81   8.369  -0.119 -11.037
  589    HD2  ARG  81           HD2      ARG  81  10.296  -0.800 -12.556
  590    HD3  ARG  81           HD3      ARG  81  10.865   0.877 -12.465
  591    HE   ARG  81           HE       ARG  81  10.407  -0.561  -9.913
  592   HH11  ARG  81          HH11      ARG  81  12.724   0.640 -12.304
  593   HH12  ARG  81          HH12      ARG  81  14.097   0.439 -11.240
  594   HH21  ARG  81          HH21      ARG  81  12.218  -0.868  -8.580
  595   HH22  ARG  81          HH22      ARG  81  13.805  -0.380  -9.129
  596    H    TYR  82           H        TYR  82   8.688  -2.234 -11.972
  597    HA   TYR  82           HA       TYR  82   6.420  -3.984 -11.701
  598    HB2  TYR  82           HB2      TYR  82   8.745  -4.655 -11.595
  599    HB3  TYR  82           HB3      TYR  82   9.069  -3.501 -10.322
  600    HD1  TYR  82           HD1      TYR  82   6.028  -5.596  -9.787
  601    HD2  TYR  82           HD2      TYR  82  10.295  -5.255  -9.309
  602    HE1  TYR  82           HE1      TYR  82   5.984  -7.356  -8.049
  603    HE2  TYR  82           HE2      TYR  82  10.254  -6.999  -7.577
  604    HH   TYR  82           HH       TYR  82   7.189  -8.598  -6.571
  605    H    ILE  83           H        ILE  83   4.790  -3.953 -10.365
  606    HA   ILE  83           HA       ILE  83   4.823  -2.056  -8.079
  607    HB   ILE  83           HB       ILE  83   2.281  -2.910  -9.440
  608   HG12  ILE  83          HG12      ILE  83   3.636  -2.009 -11.292
  609   HG13  ILE  83          HG13      ILE  83   2.223  -1.024 -10.914
  610   HG21  ILE  83          HG21      ILE  83   1.588  -0.606  -8.616
  611   HG22  ILE  83          HG22      ILE  83   2.018  -1.749  -7.336
  612   HG23  ILE  83          HG23      ILE  83   3.172  -0.488  -7.823
  613   HD11  ILE  83          HD11      ILE  83   3.596   0.603  -9.732
  614   HD12  ILE  83          HD12      ILE  83   5.043  -0.400  -9.968
  615   HD13  ILE  83          HD13      ILE  83   4.235   0.334 -11.368
  616    H    GLU  84           H        GLU  84   3.079  -2.802  -6.423
  617    HA   GLU  84           HA       GLU  84   2.719  -5.741  -6.382
  618    HB2  GLU  84           HB2      GLU  84   4.531  -4.095  -4.698
  619    HB3  GLU  84           HB3      GLU  84   3.490  -5.243  -3.815
  620    HG2  GLU  84           HG2      GLU  84   4.335  -7.055  -5.355
  621    HG3  GLU  84           HG3      GLU  84   5.440  -5.869  -6.063
  622    H    VAL  85           H        VAL  85   0.999  -6.424  -5.115
  623    HA   VAL  85           HA       VAL  85  -0.507  -4.450  -3.527
  624    HB   VAL  85           HB       VAL  85  -2.052  -6.181  -5.456
  625   HG11  VAL  85          HG11      VAL  85  -3.714  -4.379  -5.189
  626   HG12  VAL  85          HG12      VAL  85  -3.242  -5.065  -3.625
  627   HG13  VAL  85          HG13      VAL  85  -2.591  -3.492  -4.144
  628   HG21  VAL  85          HG21      VAL  85  -0.935  -3.436  -6.111
  629   HG22  VAL  85          HG22      VAL  85  -0.585  -4.961  -6.964
  630   HG23  VAL  85          HG23      VAL  85  -2.218  -4.265  -7.021
  631    H    PHE  86           H        PHE  86  -1.952  -5.479  -2.035
  632    HA   PHE  86           HA       PHE  86  -2.099  -8.396  -1.905
  633    HB2  PHE  86           HB2      PHE  86   0.158  -7.740  -1.040
  634    HB3  PHE  86           HB3      PHE  86  -0.622  -6.847   0.256
  635    HD1  PHE  86           HD1      PHE  86  -2.047  -8.167   1.891
  636    HD2  PHE  86           HD2      PHE  86   0.696 -10.048  -0.834
  637    HE1  PHE  86           HE1      PHE  86  -2.055 -10.201   3.304
  638    HE2  PHE  86           HE2      PHE  86   0.663 -12.092   0.556
  639    HZ   PHE  86           HZ       PHE  86  -0.704 -12.178   2.627
  640    H    LYS  87           H        LYS  87  -3.664  -9.057  -0.252
  641    HA   LYS  87           HA       LYS  87  -5.788  -7.125  -0.102
  642    HB2  LYS  87           HB2      LYS  87  -5.956  -9.636  -0.436
  643    HB3  LYS  87           HB3      LYS  87  -5.630  -9.818   1.301
  644    HG2  LYS  87           HG2      LYS  87  -7.593  -8.336   1.757
  645    HG3  LYS  87           HG3      LYS  87  -7.890  -8.235   0.011
  646    HD2  LYS  87           HD2      LYS  87  -8.195 -10.711  -0.052
  647    HD3  LYS  87           HD3      LYS  87  -7.939 -10.770   1.709
  648    HE2  LYS  87           HE2      LYS  87  -9.879  -9.199   1.990
  649    HE3  LYS  87           HE3      LYS  87 -10.164  -9.290   0.243
  650    HZ1  LYS  87           HZ1      LYS  87 -11.553 -10.831   1.417
  651    HZ2  LYS  87           HZ2      LYS  87 -10.472 -11.674   0.509
  652    HZ3  LYS  87           HZ3      LYS  87 -10.259 -11.543   2.139
  653    H    SER  88           H        SER  88  -6.803  -6.262   1.766
  654    HA   SER  88           HA       SER  88  -5.207  -6.354   4.270
  655    HB2  SER  88           HB2      SER  88  -4.426  -4.436   2.879
  656    HB3  SER  88           HB3      SER  88  -6.070  -3.765   2.945
  657    HG   SER  88           HG       SER  88  -4.630  -2.950   4.575
  658    H    HIS  89           H        HIS  89  -6.430  -4.727   5.872
  659    HA   HIS  89           HA       HIS  89  -9.342  -5.198   5.799
  660    HB2  HIS  89           HB2      HIS  89  -9.157  -6.235   8.123
  661    HB3  HIS  89           HB3      HIS  89  -8.571  -7.242   6.792
  662    HD1  HIS  89           HD1      HIS  89  -7.307  -5.535   9.935
  663    HD2  HIS  89           HD2      HIS  89  -5.867  -7.546   6.536
  664    HE1  HIS  89           HE1      HIS  89  -4.846  -6.075  10.387
  665    H    ARG  90           H        ARG  90  -6.912  -3.099   6.173
  666    HA   ARG  90           HA       ARG  90  -7.016  -0.909   6.648
  667    HB2  ARG  90           HB2      ARG  90  -9.533  -1.286   6.298
  668    HB3  ARG  90           HB3      ARG  90  -9.666  -1.235   8.069
  669    HG2  ARG  90           HG2      ARG  90  -8.601   1.007   8.075
  670    HG3  ARG  90           HG3      ARG  90  -8.429   0.918   6.307
  671    HD2  ARG  90           HD2      ARG  90 -10.920   0.671   6.133
  672    HD3  ARG  90           HD3      ARG  90 -11.032   0.940   7.881
  673    HE   ARG  90           HE       ARG  90  -9.998   2.914   5.874
  674   HH11  ARG  90          HH11      ARG  90 -11.538   2.262   9.003
  675   HH12  ARG  90          HH12      ARG  90 -11.811   3.956   9.329
  676   HH21  ARG  90          HH21      ARG  90 -10.355   5.055   6.325
  677   HH22  ARG  90          HH22      ARG  90 -11.145   5.549   7.809
  678    H    THR  91           H        THR  91  -7.558  -3.238   9.265
  679    HA   THR  91           HA       THR  91  -6.917  -1.404  11.396
  680    HB   THR  91           HB       THR  91  -6.528  -4.423  11.266
  681    HG1  THR  91           HG1      THR  91  -8.592  -4.413  12.258
  682   HG21  THR  91          HG21      THR  91  -5.349  -3.370  13.143
  683   HG22  THR  91          HG22      THR  91  -6.823  -2.485  13.598
  684   HG23  THR  91          HG23      THR  91  -6.767  -4.260  13.732
  685    H    GLU  92           H        GLU  92  -4.980  -3.604   9.317
  686    HA   GLU  92           HA       GLU  92  -2.446  -3.009  10.573
  687    HB2  GLU  92           HB2      GLU  92  -2.947  -4.976   9.073
  688    HB3  GLU  92           HB3      GLU  92  -3.065  -3.836   7.706
  689    HG2  GLU  92           HG2      GLU  92  -0.746  -3.127   8.078
  690    HG3  GLU  92           HG3      GLU  92  -0.620  -4.188   9.489
  691    H    MET  93           H        MET  93  -4.319  -1.605   7.876
  692    HA   MET  93           HA       MET  93  -2.309   0.135   6.913
  693    HB2  MET  93           HB2      MET  93  -4.380  -0.467   5.729
  694    HB3  MET  93           HB3      MET  93  -5.342   0.425   6.915
  695    HG2  MET  93           HG2      MET  93  -3.142   1.741   5.303
  696    HG3  MET  93           HG3      MET  93  -4.779   1.571   4.671
  697    HE1  MET  93           HE1      MET  93  -6.669   2.089   7.185
  698    HE2  MET  93           HE2      MET  93  -6.951   3.823   6.919
  699    HE3  MET  93           HE3      MET  93  -6.876   2.712   5.530
  700    H    ASP  94           H        ASP  94  -4.842   0.623   9.430
  701    HA   ASP  94           HA       ASP  94  -4.310   3.388   9.849
  702    HB2  ASP  94           HB2      ASP  94  -6.353   2.129  10.510
  703    HB3  ASP  94           HB3      ASP  94  -5.409   1.302  11.752
  704    H    TRP  95           H        TRP  95  -2.842   0.441  11.120
  705    HA   TRP  95           HA       TRP  95  -1.622   1.648  13.430
  706    HB2  TRP  95           HB2      TRP  95  -2.093  -0.748  13.229
  707    HB3  TRP  95           HB3      TRP  95  -0.983  -0.878  11.872
  708    HD1  TRP  95           HD1      TRP  95  -1.007  -0.372  15.667
  709    HE1  TRP  95           HE1      TRP  95   1.281  -0.952  16.639
  710    HE3  TRP  95           HE3      TRP  95   1.545  -1.124  11.303
  711    HZ2  TRP  95           HZ2      TRP  95   3.917  -1.629  15.642
  712    HZ3  TRP  95           HZ3      TRP  95   3.944  -1.714  11.342
  713    HH2  TRP  95           HH2      TRP  95   5.144  -1.967  13.500
  714    H    VAL  96           H        VAL  96  -0.292   0.769  10.169
  715    HA   VAL  96           HA       VAL  96   2.307   1.880  10.917
  716    HB   VAL  96           HB       VAL  96   2.220  -0.109   9.530
  717   HG11  VAL  96          HG11      VAL  96   0.539   1.570   7.703
  718   HG12  VAL  96          HG12      VAL  96   1.383   0.074   7.201
  719   HG13  VAL  96          HG13      VAL  96   0.148   0.010   8.472
  720   HG21  VAL  96          HG21      VAL  96   3.161   2.196   7.822
  721   HG22  VAL  96          HG22      VAL  96   4.085   1.482   9.163
  722   HG23  VAL  96          HG23      VAL  96   3.679   0.504   7.735
  723    H    LEU  97           H        LEU  97  -0.624   3.133   9.455
  724    HA   LEU  97           HA       LEU  97   0.670   5.387   8.182
  725    HB2  LEU  97           HB2      LEU  97  -2.054   4.387   8.687
  726    HB3  LEU  97           HB3      LEU  97  -1.946   6.143   8.832
  727    HG   LEU  97           HG       LEU  97  -2.595   5.486   6.591
  728   HD11  LEU  97          HD11      LEU  97  -0.949   6.751   5.313
  729   HD12  LEU  97          HD12      LEU  97  -1.206   7.517   6.894
  730   HD13  LEU  97          HD13      LEU  97   0.258   6.551   6.597
  731   HD21  LEU  97          HD21      LEU  97   0.045   3.989   6.517
  732   HD22  LEU  97          HD22      LEU  97  -1.589   3.291   6.415
  733   HD23  LEU  97          HD23      LEU  97  -0.985   4.306   5.103
  734    H    LYS  98           H        LYS  98   0.513   4.530  11.412
  735    HA   LYS  98           HA       LYS  98   0.765   7.350  12.289
  736    HB2  LYS  98           HB2      LYS  98  -0.963   5.195  13.552
  737    HB3  LYS  98           HB3      LYS  98  -0.556   6.754  14.298
  738    HG2  LYS  98           HG2      LYS  98  -1.532   7.913  12.290
  739    HG3  LYS  98           HG3      LYS  98  -2.080   6.328  11.695
  740    HD2  LYS  98           HD2      LYS  98  -3.397   6.001  13.754
  741    HD3  LYS  98           HD3      LYS  98  -2.791   7.550  14.384
  742    HE2  LYS  98           HE2      LYS  98  -5.048   7.839  13.470
  743    HE3  LYS  98           HE3      LYS  98  -3.866   8.746  12.507
  744    HZ1  LYS  98           HZ1      LYS  98  -4.997   6.113  11.807
  745    HZ2  LYS  98           HZ2      LYS  98  -5.405   7.551  11.123
  746    HZ3  LYS  98           HZ3      LYS  98  -3.890   6.943  10.915
  747    H    HIS  99           H        HIS  99   2.293   4.453  11.984
  748    HA   HIS  99           HA       HIS  99   4.204   5.063  14.110
  749    HB2  HIS  99           HB2      HIS  99   2.419   3.729  15.259
  750    HB3  HIS  99           HB3      HIS  99   2.678   2.424  14.095
  751    HD1  HIS  99           HD1      HIS  99   4.487   0.683  14.811
  752    HD2  HIS  99           HD2      HIS  99   4.740   4.384  16.790
  753    HE1  HIS  99           HE1      HIS  99   6.308   0.438  16.583
  754    H    SER 100           H        SER 100   6.129   3.545  13.936
  755    HA   SER 100           HA       SER 100   6.300   1.935  11.494
  756    HB2  SER 100           HB2      SER 100   8.159   3.216  10.540
  757    HB3  SER 100           HB3      SER 100   6.707   4.226  10.652
  758    HG   SER 100           HG       SER 100   8.582   5.298  11.422
  759    H    GLY 101           H        GLY 101   8.406   0.849  11.295
  760    HA2  GLY 101           HA2      GLY 101  10.410   0.885  13.247
  761    HA3  GLY 101           HA3      GLY 101   9.204  -0.296  13.786
  762    HA   PRO 102           HA       PRO 102  12.474  -2.264  10.961
  763    HB2  PRO 102           HB2      PRO 102  11.945  -4.269  13.156
  764    HB3  PRO 102           HB3      PRO 102  13.475  -3.949  12.275
  765    HG2  PRO 102           HG2      PRO 102  13.108  -2.907  14.741
  766    HG3  PRO 102           HG3      PRO 102  13.789  -1.878  13.435
  767    HD2  PRO 102           HD2      PRO 102  10.954  -1.955  14.479
  768    HD3  PRO 102           HD3      PRO 102  11.962  -0.540  14.040
  769    H5'    A   1           H5'        A   1  20.135   2.063   1.980
  770   H5''    A   1          H5''        A   1  18.455   1.665   1.563
  771    H4'    A   1           H4'        A   1  20.687  -0.407   1.640
  772    H3'    A   1           H3'        A   1  20.763   1.592  -0.158
  773    H2'    A   1           H2'        A   1  18.631   1.806  -0.816
  774   HO2'    A   1          HO2'        A   1  19.421  -0.413  -2.396
  775    H1'    A   1           H1'        A   1  17.740  -0.980  -0.886
  776    H8     A   1           H8         A   1  15.903  -1.525   1.073
  777    H61    A   1           H61        A   1  12.638   3.690   1.848
  778    H62    A   1           H62        A   1  12.672   1.964   2.139
  779    H2     A   1           H2         A   1  16.393   4.696  -0.314
  780   HO5'    A   1          HO5'        A   1  18.481   0.166   3.310
  781    H5'    G   2           H5'        G   2  19.704  -3.717  -2.796
  782   H5''    G   2          H5''        G   2  19.781  -2.050  -3.426
  783    H4'    G   2           H4'        G   2  17.318  -2.996  -1.919
  784    H3'    G   2           H3'        G   2  17.858  -3.316  -4.893
  785    H2'    G   2           H2'        G   2  15.534  -3.008  -5.144
  786   HO2'    G   2          HO2'        G   2  14.908  -4.646  -3.648
  787    H1'    G   2           H1'        G   2  15.394  -1.478  -2.644
  788    H8     G   2           H8         G   2  17.335   0.261  -5.272
  789    H1     G   2           H1         G   2  11.026   0.990  -5.943
  790    H21    G   2           H21        G   2   9.950  -0.399  -4.593
  791    H22    G   2           H22        G   2  10.795  -1.546  -3.576
  792    H5'    G   3           H5'        G   3  14.815  -6.318  -2.957
  793   H5''    G   3          H5''        G   3  15.361  -7.851  -3.660
  794    H4'    G   3           H4'        G   3  12.925  -7.834  -3.541
  795    H3'    G   3           H3'        G   3  14.404  -8.490  -5.823
  796    H2'    G   3           H2'        G   3  13.961  -6.359  -6.827
  797   HO2'    G   3          HO2'        G   3  13.236  -8.032  -8.256
  798    H1'    G   3           H1'        G   3  11.147  -6.747  -5.724
  799    H8     G   3           H8         G   3  13.696  -4.294  -7.220
  800    H1     G   3           H1         G   3   7.561  -2.448  -7.496
  801    H21    G   3           H21        G   3   6.365  -3.632  -6.054
  802    H22    G   3           H22        G   3   7.087  -4.958  -5.159
  803    H5'    G   4           H5'        G   4  11.940 -11.479  -2.628
  804   H5''    G   4          H5''        G   4  11.748  -9.727  -2.875
  805    H4'    G   4           H4'        G   4  14.116 -10.988  -1.441
  806    H3'    G   4           H3'        G   4  11.422 -10.286  -0.437
  807    H2'    G   4           H2'        G   4  12.104  -8.702   1.178
  808   HO2'    G   4          HO2'        G   4  13.842 -10.037   2.014
  809    H1'    G   4           H1'        G   4  14.064  -7.505  -0.133
  810    H8     G   4           H8         G   4  10.626  -8.626  -1.590
  811    H1     G   4           H1         G   4  11.911  -2.339  -1.584
  812    H21    G   4           H21        G   4  13.868  -1.976  -0.589
  813    H22    G   4           H22        G   4  14.872  -3.301  -0.035
  814    H5'    A   5           H5'        A   5  11.557  -9.443   2.845
  815   H5''    A   5          H5''        A   5  10.373 -10.267   3.866
  816    H4'    A   5           H4'        A   5   9.427  -8.248   2.746
  817    H3'    A   5           H3'        A   5   8.243 -10.890   1.898
  818    H2'    A   5           H2'        A   5   6.592  -9.454   0.791
  819   HO2'    A   5          HO2'        A   5   6.595  -7.267   1.095
  820    H1'    A   5           H1'        A   5   8.443  -7.991  -0.465
  821    H8     A   5           H8         A   5   9.769 -11.513   0.196
  822    H61    A   5           H61        A   5   7.058 -12.998  -5.193
  823    H62    A   5           H62        A   5   8.106 -13.586  -3.918
  824    H2     A   5           H2         A   5   5.904  -8.847  -4.143
  825    H5'    U   6           H5'        U   6   5.880  -7.611   3.480
  826   H5''    U   6          H5''        U   6   4.374  -8.084   4.281
  827    H4'    U   6           H4'        U   6   4.010  -6.295   2.598
  828    H3'    U   6           H3'        U   6   2.777  -8.998   1.991
  829   HO3'    U   6          HO3'        U   6   2.137  -7.969   3.953
  830    H2'    U   6           H2'        U   6   1.605  -7.860   0.262
  831   HO2'    U   6          HO2'        U   6   1.289  -5.883   1.607
  832    H1'    U   6           H1'        U   6   3.781  -6.447  -0.630
  833    H3     U   6           H3         U   6   2.458  -9.460  -3.744
  834    H5     U   6           H5         U   6   4.746 -11.634  -0.971
  835    H6     U   6           H6         U   6   4.833  -9.688   0.423
  Start of MODEL    7
    1    H    MET   1           H        MET   1   4.186 -16.534   9.388
    2    HA   MET   1           HA       MET   1   5.224 -14.590  10.290
    3    HB2  MET   1           HB2      MET   1   2.512 -14.094   8.999
    4    HB3  MET   1           HB3      MET   1   3.785 -12.871   9.186
    5    HG2  MET   1           HG2      MET   1   4.025 -15.472   7.628
    6    HG3  MET   1           HG3      MET   1   3.828 -13.857   6.943
    7    HE1  MET   1           HE1      MET   1   6.057 -15.829   5.979
    8    HE2  MET   1           HE2      MET   1   5.856 -14.176   5.353
    9    HE3  MET   1           HE3      MET   1   7.461 -14.741   5.874
   10    H    MET   2           H        MET   2   5.117 -12.713  11.581
   11    HA   MET   2           HA       MET   2   2.815 -12.394  13.384
   12    HB2  MET   2           HB2      MET   2   4.423 -14.091  14.380
   13    HB3  MET   2           HB3      MET   2   5.638 -12.808  14.454
   14    HG2  MET   2           HG2      MET   2   4.508 -13.117  16.606
   15    HG3  MET   2           HG3      MET   2   4.184 -11.512  15.964
   16    HE1  MET   2           HE1      MET   2   2.277 -11.169  17.699
   17    HE2  MET   2           HE2      MET   2   0.941 -12.312  17.967
   18    HE3  MET   2           HE3      MET   2   2.609 -12.783  18.373
   19    H    LEU   3           H        LEU   3   4.804 -11.042  11.231
   20    HA   LEU   3           HA       LEU   3   5.914  -8.779  12.555
   21    HB2  LEU   3           HB2      LEU   3   6.634  -9.722  10.371
   22    HB3  LEU   3           HB3      LEU   3   5.111  -9.193   9.645
   23    HG   LEU   3           HG       LEU   3   5.707  -6.835  10.066
   24   HD11  LEU   3          HD11      LEU   3   7.063  -7.083  12.108
   25   HD12  LEU   3          HD12      LEU   3   8.289  -7.999  11.196
   26   HD13  LEU   3          HD13      LEU   3   8.006  -6.278  10.841
   27   HD21  LEU   3          HD21      LEU   3   6.405  -7.925   7.972
   28   HD22  LEU   3          HD22      LEU   3   7.590  -6.702   8.485
   29   HD23  LEU   3          HD23      LEU   3   7.930  -8.430   8.736
   30    H    GLY   4           H        GLY   4   2.628  -9.523  11.757
   31    HA2  GLY   4           HA2      GLY   4   1.627  -7.117  12.872
   32    HA3  GLY   4           HA3      GLY   4   1.613  -6.960  11.110
   33    HA   PRO   5           HA       PRO   5  -2.246  -9.224  12.576
   34    HB2  PRO   5           HB2      PRO   5  -4.104  -7.342  11.931
   35    HB3  PRO   5           HB3      PRO   5  -3.165  -7.268  13.457
   36    HG2  PRO   5           HG2      PRO   5  -2.588  -5.830  10.850
   37    HG3  PRO   5           HG3      PRO   5  -2.685  -5.122  12.500
   38    HD2  PRO   5           HD2      PRO   5  -0.307  -5.831  11.370
   39    HD3  PRO   5           HD3      PRO   5  -0.612  -6.074  13.120
   40    H    GLU   6           H        GLU   6  -4.362  -9.428  11.085
   41    HA   GLU   6           HA       GLU   6  -3.737  -9.238   8.211
   42    HB2  GLU   6           HB2      GLU   6  -2.756 -11.393   9.009
   43    HB3  GLU   6           HB3      GLU   6  -4.354 -11.879   9.606
   44    HG2  GLU   6           HG2      GLU   6  -5.254 -11.792   7.313
   45    HG3  GLU   6           HG3      GLU   6  -3.691 -11.206   6.707
   46    H    GLY   7           H        GLY   7  -5.642  -9.573   6.885
   47    HA2  GLY   7           HA2      GLY   7  -8.224 -10.186   7.832
   48    HA3  GLY   7           HA3      GLY   7  -8.012  -8.432   7.964
   49    H    GLY   8           H        GLY   8  -9.931  -8.870   6.314
   50    HA2  GLY   8           HA2      GLY   8  -9.046  -8.073   3.727
   51    HA3  GLY   8           HA3      GLY   8  -9.445  -9.804   3.703
   52    H    GLU   9           H        GLU   9 -10.987  -7.145   5.586
   53    HA   GLU   9           HA       GLU   9 -13.524  -7.660   4.116
   54    HB2  GLU   9           HB2      GLU   9 -13.133  -7.639   7.137
   55    HB3  GLU   9           HB3      GLU   9 -14.696  -7.704   6.300
   56    HG2  GLU   9           HG2      GLU   9 -14.006  -9.832   5.205
   57    HG3  GLU   9           HG3      GLU   9 -12.479  -9.784   6.109
   58    H    GLY  10           H        GLY  10 -11.435  -5.401   4.285
   59    HA2  GLY  10           HA2      GLY  10 -13.245  -3.237   5.277
   60    HA3  GLY  10           HA3      GLY  10 -11.479  -3.150   5.222
   61    H    PHE  11           H        PHE  11 -12.273  -4.683   2.408
   62    HA   PHE  11           HA       PHE  11 -11.990  -4.090   0.269
   63    HB2  PHE  11           HB2      PHE  11 -13.721  -1.695   0.853
   64    HB3  PHE  11           HB3      PHE  11 -13.506  -2.519  -0.683
   65    HD1  PHE  11           HD1      PHE  11 -13.691  -5.402   0.491
   66    HD2  PHE  11           HD2      PHE  11 -16.099  -1.872   0.971
   67    HE1  PHE  11           HE1      PHE  11 -15.670  -6.817   0.971
   68    HE2  PHE  11           HE2      PHE  11 -18.077  -3.290   1.463
   69    HZ   PHE  11           HZ       PHE  11 -17.862  -5.763   1.464
   70    H    VAL  12           H        VAL  12  -9.894  -3.518   1.767
   71    HA   VAL  12           HA       VAL  12  -8.804  -1.025   0.541
   72    HB   VAL  12           HB       VAL  12  -8.255  -2.147   3.329
   73   HG11  VAL  12          HG11      VAL  12  -7.160   0.340   1.958
   74   HG12  VAL  12          HG12      VAL  12  -6.910  -0.108   3.661
   75   HG13  VAL  12          HG13      VAL  12  -6.232  -1.119   2.378
   76   HG21  VAL  12          HG21      VAL  12  -9.755   0.321   2.381
   77   HG22  VAL  12          HG22      VAL  12 -10.360  -1.013   3.384
   78   HG23  VAL  12          HG23      VAL  12  -9.157   0.111   4.037
   79    H    VAL  13           H        VAL  13  -6.556  -1.207  -0.032
   80    HA   VAL  13           HA       VAL  13  -5.373  -3.918   0.263
   81    HB   VAL  13           HB       VAL  13  -4.576  -3.843  -2.074
   82   HG11  VAL  13          HG11      VAL  13  -7.606  -3.768  -1.806
   83   HG12  VAL  13          HG12      VAL  13  -6.669  -4.579  -3.083
   84   HG13  VAL  13          HG13      VAL  13  -6.565  -5.156  -1.409
   85   HG21  VAL  13          HG21      VAL  13  -6.567  -1.557  -2.391
   86   HG22  VAL  13          HG22      VAL  13  -4.797  -1.419  -2.505
   87   HG23  VAL  13          HG23      VAL  13  -5.692  -2.371  -3.705
   88    H    LYS  14           H        LYS  14  -3.138  -4.019   0.065
   89    HA   LYS  14           HA       LYS  14  -1.715  -1.563   0.841
   90    HB2  LYS  14           HB2      LYS  14  -0.493  -4.297   0.374
   91    HB3  LYS  14           HB3      LYS  14   0.040  -3.011   1.468
   92    HG2  LYS  14           HG2      LYS  14  -2.097  -3.417   2.802
   93    HG3  LYS  14           HG3      LYS  14  -2.387  -4.827   1.766
   94    HD2  LYS  14           HD2      LYS  14  -0.106  -5.699   2.433
   95    HD3  LYS  14           HD3      LYS  14  -0.009  -4.365   3.607
   96    HE2  LYS  14           HE2      LYS  14  -2.188  -5.199   4.595
   97    HE3  LYS  14           HE3      LYS  14  -2.093  -6.583   3.492
   98    HZ1  LYS  14           HZ1      LYS  14  -0.111  -5.872   5.545
   99    HZ2  LYS  14           HZ2      LYS  14  -1.197  -7.099   5.652
  100    HZ3  LYS  14           HZ3      LYS  14   0.002  -7.167   4.524
  101    H    LEU  15           H        LEU  15   0.290  -0.973  -0.281
  102    HA   LEU  15           HA       LEU  15   0.599  -1.975  -3.056
  103    HB2  LEU  15           HB2      LEU  15  -0.709   0.320  -2.568
  104    HB3  LEU  15           HB3      LEU  15   0.923   0.938  -2.368
  105    HG   LEU  15           HG       LEU  15   0.227   1.408  -4.556
  106   HD11  LEU  15          HD11      LEU  15   1.941  -1.079  -4.859
  107   HD12  LEU  15          HD12      LEU  15   1.822   0.280  -5.988
  108   HD13  LEU  15          HD13      LEU  15   2.563   0.527  -4.392
  109   HD21  LEU  15          HD21      LEU  15  -0.606  -0.281  -6.152
  110   HD22  LEU  15          HD22      LEU  15  -0.491  -1.528  -4.887
  111   HD23  LEU  15          HD23      LEU  15  -1.640  -0.184  -4.707
  112    H    ARG  16           H        ARG  16   2.826  -2.118  -3.609
  113    HA   ARG  16           HA       ARG  16   4.802  -0.857  -1.786
  114    HB2  ARG  16           HB2      ARG  16   5.074  -3.775  -2.557
  115    HB3  ARG  16           HB3      ARG  16   6.041  -2.843  -1.421
  116    HG2  ARG  16           HG2      ARG  16   4.018  -2.680   0.077
  117    HG3  ARG  16           HG3      ARG  16   3.161  -3.759  -1.051
  118    HD2  ARG  16           HD2      ARG  16   4.955  -5.450  -0.778
  119    HD3  ARG  16           HD3      ARG  16   5.791  -4.383   0.354
  120    HE   ARG  16           HE       ARG  16   3.955  -4.633   1.921
  121   HH11  ARG  16          HH11      ARG  16   3.928  -6.923  -0.808
  122   HH12  ARG  16          HH12      ARG  16   2.952  -8.086   0.068
  123   HH21  ARG  16          HH21      ARG  16   2.694  -6.194   2.986
  124   HH22  ARG  16          HH22      ARG  16   2.262  -7.683   2.172
  125    H    GLY  17           H        GLY  17   6.992  -0.848  -2.731
  126    HA2  GLY  17           HA2      GLY  17   8.460  -1.196  -4.585
  127    HA3  GLY  17           HA3      GLY  17   7.058  -1.416  -5.645
  128    H    LEU  18           H        LEU  18   8.114   0.055  -7.043
  129    HA   LEU  18           HA       LEU  18   7.759   1.966  -8.191
  130    HB2  LEU  18           HB2      LEU  18   6.958   3.453  -5.673
  131    HB3  LEU  18           HB3      LEU  18   6.669   3.904  -7.348
  132    HG   LEU  18           HG       LEU  18   5.327   1.665  -5.788
  133   HD11  LEU  18          HD11      LEU  18   4.307   4.086  -7.306
  134   HD12  LEU  18          HD12      LEU  18   3.309   2.884  -6.451
  135   HD13  LEU  18          HD13      LEU  18   4.421   3.921  -5.534
  136   HD21  LEU  18          HD21      LEU  18   5.815   0.705  -7.949
  137   HD22  LEU  18          HD22      LEU  18   4.107   1.179  -7.890
  138   HD23  LEU  18          HD23      LEU  18   5.272   2.192  -8.778
  139    HA   PRO  19           HA       PRO  19  11.636   4.112  -7.920
  140    HB2  PRO  19           HB2      PRO  19  10.027   6.557  -8.651
  141    HB3  PRO  19           HB3      PRO  19  11.538   5.938  -9.394
  142    HG2  PRO  19           HG2      PRO  19   9.164   5.520 -10.608
  143    HG3  PRO  19           HG3      PRO  19  10.341   4.165 -10.474
  144    HD2  PRO  19           HD2      PRO  19   7.952   4.749  -8.705
  145    HD3  PRO  19           HD3      PRO  19   8.449   3.197  -9.453
  146    H    TRP  20           H        TRP  20  10.430   3.995  -5.276
  147    HA   TRP  20           HA       TRP  20  10.625   4.897  -3.233
  148    HB2  TRP  20           HB2      TRP  20  12.483   7.033  -4.220
  149    HB3  TRP  20           HB3      TRP  20  12.515   6.143  -2.702
  150    HD1  TRP  20           HD1      TRP  20  13.848   6.204  -6.171
  151    HE1  TRP  20           HE1      TRP  20  15.422   4.260  -6.646
  152    HE3  TRP  20           HE3      TRP  20  13.134   3.541  -1.857
  153    HZ2  TRP  20           HZ2      TRP  20  16.231   1.797  -5.337
  154    HZ3  TRP  20           HZ3      TRP  20  14.465   1.472  -1.468
  155    HH2  TRP  20           HH2      TRP  20  15.870   0.543  -3.253
  156    H    SER  21           H        SER  21   8.916   6.360  -5.515
  157    HA   SER  21           HA       SER  21   7.722   8.265  -3.662
  158    HB2  SER  21           HB2      SER  21   9.597   9.576  -4.652
  159    HB3  SER  21           HB3      SER  21   8.959   9.227  -6.277
  160    HG   SER  21           HG       SER  21   8.253  11.256  -5.435
  161    H    CYS  22           H        CYS  22   5.674   9.121  -4.551
  162    HA   CYS  22           HA       CYS  22   4.626   8.096  -7.051
  163    HB2  CYS  22           HB2      CYS  22   4.644   6.079  -5.510
  164    HB3  CYS  22           HB3      CYS  22   3.506   6.945  -4.461
  165    HG   CYS  22           HG       CYS  22   2.254   5.143  -5.904
  166    H    SER  23           H        SER  23   2.154   8.531  -7.089
  167    HA   SER  23           HA       SER  23   1.252  10.643  -5.226
  168    HB2  SER  23           HB2      SER  23   1.178  10.917  -8.256
  169    HB3  SER  23           HB3      SER  23   0.491  12.055  -7.083
  170    HG   SER  23           HG       SER  23   2.617  12.384  -6.286
  171    H    VAL  24           H        VAL  24  -1.148  10.979  -5.462
  172    HA   VAL  24           HA       VAL  24  -2.321   8.399  -5.317
  173    HB   VAL  24           HB       VAL  24  -3.962   9.415  -4.242
  174   HG11  VAL  24          HG11      VAL  24  -2.412  11.984  -4.741
  175   HG12  VAL  24          HG12      VAL  24  -3.597  11.698  -3.453
  176   HG13  VAL  24          HG13      VAL  24  -2.070  10.793  -3.454
  177   HG21  VAL  24          HG21      VAL  24  -5.223   9.972  -6.190
  178   HG22  VAL  24          HG22      VAL  24  -5.289  11.301  -5.026
  179   HG23  VAL  24          HG23      VAL  24  -4.242  11.443  -6.461
  180    H    GLU  25           H        GLU  25  -1.926  10.548  -8.040
  181    HA   GLU  25           HA       GLU  25  -4.201   9.453  -9.508
  182    HB2  GLU  25           HB2      GLU  25  -1.852  11.187 -10.371
  183    HB3  GLU  25           HB3      GLU  25  -3.268  10.786 -11.363
  184    HG2  GLU  25           HG2      GLU  25  -4.742  11.849  -9.652
  185    HG3  GLU  25           HG3      GLU  25  -3.303  12.309  -8.724
  186    H    ASP  26           H        ASP  26  -0.769   8.669  -9.114
  187    HA   ASP  26           HA       ASP  26  -0.690   7.069 -11.571
  188    HB2  ASP  26           HB2      ASP  26   1.219   7.344  -9.215
  189    HB3  ASP  26           HB3      ASP  26   1.540   6.391 -10.675
  190    H    VAL  27           H        VAL  27  -1.233   6.544  -8.074
  191    HA   VAL  27           HA       VAL  27  -1.022   3.673  -8.303
  192    HB   VAL  27           HB       VAL  27  -0.611   4.921  -6.223
  193   HG11  VAL  27          HG11      VAL  27  -3.623   5.352  -6.134
  194   HG12  VAL  27          HG12      VAL  27  -2.447   5.772  -4.869
  195   HG13  VAL  27          HG13      VAL  27  -2.392   6.604  -6.438
  196   HG21  VAL  27          HG21      VAL  27  -1.195   2.525  -6.158
  197   HG22  VAL  27          HG22      VAL  27  -1.782   3.393  -4.720
  198   HG23  VAL  27          HG23      VAL  27  -2.919   2.955  -6.018
  199    H    GLN  28           H        GLN  28  -3.789   6.022  -8.431
  200    HA   GLN  28           HA       GLN  28  -5.682   3.842  -8.703
  201    HB2  GLN  28           HB2      GLN  28  -7.311   5.578  -9.174
  202    HB3  GLN  28           HB3      GLN  28  -6.317   6.017  -7.771
  203    HG2  GLN  28           HG2      GLN  28  -4.926   7.449  -9.251
  204    HG3  GLN  28           HG3      GLN  28  -5.991   7.072 -10.611
  205   HE21  GLN  28          HE21      GLN  28  -6.335   8.181  -7.139
  206   HE22  GLN  28          HE22      GLN  28  -7.534   9.387  -7.516
  207    H    ASN  29           H        ASN  29  -3.541   5.548 -10.900
  208    HA   ASN  29           HA       ASN  29  -4.912   4.855 -13.336
  209    HB2  ASN  29           HB2      ASN  29  -3.330   6.361 -13.931
  210    HB3  ASN  29           HB3      ASN  29  -2.389   6.054 -12.468
  211   HD21  ASN  29          HD21      ASN  29  -0.782   4.446 -12.414
  212   HD22  ASN  29          HD22      ASN  29  -0.090   3.809 -13.885
  213    H    PHE  30           H        PHE  30  -2.759   3.127 -11.120
  214    HA   PHE  30           HA       PHE  30  -2.262   0.957 -13.027
  215    HB2  PHE  30           HB2      PHE  30  -0.524   1.651 -11.581
  216    HB3  PHE  30           HB3      PHE  30  -1.524   1.473 -10.140
  217    HD1  PHE  30           HD1      PHE  30  -0.116  -0.540 -12.995
  218    HD2  PHE  30           HD2      PHE  30  -1.430  -0.481  -8.906
  219    HE1  PHE  30           HE1      PHE  30   0.647  -2.884 -12.719
  220    HE2  PHE  30           HE2      PHE  30  -0.696  -2.833  -8.635
  221    HZ   PHE  30           HZ       PHE  30   0.364  -4.033 -10.535
  222    H    LEU  31           H        LEU  31  -4.577   1.776 -10.571
  223    HA   LEU  31           HA       LEU  31  -5.625  -1.006 -10.452
  224    HB2  LEU  31           HB2      LEU  31  -5.920   1.463  -8.754
  225    HB3  LEU  31           HB3      LEU  31  -7.172   0.222  -8.708
  226    HG   LEU  31           HG       LEU  31  -5.679  -1.458  -7.934
  227   HD11  LEU  31          HD11      LEU  31  -3.443   0.563  -8.282
  228   HD12  LEU  31          HD12      LEU  31  -3.294  -0.988  -7.429
  229   HD13  LEU  31          HD13      LEU  31  -3.662  -0.969  -9.170
  230   HD21  LEU  31          HD21      LEU  31  -6.586   0.129  -6.263
  231   HD22  LEU  31          HD22      LEU  31  -4.989  -0.481  -5.778
  232   HD23  LEU  31          HD23      LEU  31  -5.145   1.152  -6.460
  233    H    SER  32           H        SER  32  -5.997  -0.356 -12.896
  234    HA   SER  32           HA       SER  32  -8.057   1.325 -13.699
  235    HB2  SER  32           HB2      SER  32  -7.330  -1.433 -14.764
  236    HB3  SER  32           HB3      SER  32  -8.234  -0.175 -15.638
  237    HG   SER  32           HG       SER  32  -5.998  -0.172 -16.154
  238    H    ASP  33           H        ASP  33 -10.209   1.099 -14.028
  239    HA   ASP  33           HA       ASP  33 -12.342   0.648 -13.561
  240    HB2  ASP  33           HB2      ASP  33 -11.412  -2.234 -13.417
  241    HB3  ASP  33           HB3      ASP  33 -13.083  -1.686 -13.597
  242    H    CYS  34           H        CYS  34 -10.041   0.146 -11.091
  243    HA   CYS  34           HA       CYS  34 -11.916  -0.697  -9.031
  244    HB2  CYS  34           HB2      CYS  34  -9.171   0.603  -8.908
  245    HB3  CYS  34           HB3      CYS  34 -10.027  -0.086  -7.522
  246    HG   CYS  34           HG       CYS  34 -10.248  -2.495  -8.442
  247    H    THR  35           H        THR  35 -11.775   0.868  -6.979
  248    HA   THR  35           HA       THR  35 -12.332   3.683  -7.745
  249    HB   THR  35           HB       THR  35 -14.023   1.883  -5.954
  250    HG1  THR  35           HG1      THR  35 -15.586   2.283  -7.530
  251   HG21  THR  35          HG21      THR  35 -15.527   3.880  -5.819
  252   HG22  THR  35          HG22      THR  35 -13.967   4.124  -5.014
  253   HG23  THR  35          HG23      THR  35 -14.262   4.844  -6.618
  254    H    ILE  36           H        ILE  36 -12.035   5.132  -5.855
  255    HA   ILE  36           HA       ILE  36  -9.865   4.029  -4.126
  256    HB   ILE  36           HB       ILE  36 -10.132   6.865  -5.152
  257   HG12  ILE  36          HG12      ILE  36  -9.942   5.421  -7.116
  258   HG13  ILE  36          HG13      ILE  36  -8.492   6.394  -6.869
  259   HG21  ILE  36          HG21      ILE  36  -7.654   6.874  -4.708
  260   HG22  ILE  36          HG22      ILE  36  -8.661   6.728  -3.260
  261   HG23  ILE  36          HG23      ILE  36  -7.866   5.285  -3.913
  262   HD11  ILE  36          HD11      ILE  36  -8.792   3.492  -6.009
  263   HD12  ILE  36          HD12      ILE  36  -7.963   4.050  -7.481
  264   HD13  ILE  36          HD13      ILE  36  -7.321   4.490  -5.884
  265    H    HIS  37           H        HIS  37 -12.687   4.073  -3.531
  266    HA   HIS  37           HA       HIS  37 -14.189   4.623  -1.942
  267    HB2  HIS  37           HB2      HIS  37 -12.175   3.922  -0.608
  268    HB3  HIS  37           HB3      HIS  37 -11.844   5.630  -0.345
  269    HD1  HIS  37           HD1      HIS  37 -14.024   2.806   0.862
  270    HD2  HIS  37           HD2      HIS  37 -13.797   6.989   1.145
  271    HE1  HIS  37           HE1      HIS  37 -15.539   3.486   2.806
  272    H    ASP  38           H        ASP  38 -12.192   7.163  -3.163
  273    HA   ASP  38           HA       ASP  38 -14.408   9.085  -2.968
  274    HB2  ASP  38           HB2      ASP  38 -11.673   9.523  -1.727
  275    HB3  ASP  38           HB3      ASP  38 -12.770  10.843  -2.159
  276    H    GLY  39           H        GLY  39 -11.211   8.084  -4.198
  277    HA2  GLY  39           HA2      GLY  39 -10.862   8.180  -6.570
  278    HA3  GLY  39           HA3      GLY  39 -11.739   9.721  -6.620
  279    H    ALA  40           H        ALA  40 -10.018  10.009  -3.966
  280    HA   ALA  40           HA       ALA  40  -7.314  10.420  -4.692
  281    HB1  ALA  40           HB1      ALA  40  -9.095  12.897  -4.782
  282    HB2  ALA  40           HB2      ALA  40  -7.317  12.918  -4.799
  283    HB3  ALA  40           HB3      ALA  40  -8.200  12.201  -6.156
  284    H    ALA  41           H        ALA  41  -9.714  10.045  -2.516
  285    HA   ALA  41           HA       ALA  41  -8.177  11.373  -0.344
  286    HB1  ALA  41           HB1      ALA  41 -10.257  12.003   0.749
  287    HB2  ALA  41           HB2      ALA  41 -10.214  12.669  -0.897
  288    HB3  ALA  41           HB3      ALA  41 -11.207  11.240  -0.540
  289    H    GLY  42           H        GLY  42  -8.493   8.513  -1.515
  290    HA2  GLY  42           HA2      GLY  42  -8.889   7.184   1.135
  291    HA3  GLY  42           HA3      GLY  42  -9.315   6.433  -0.420
  292    H    VAL  43           H        VAL  43  -6.635   8.300  -0.985
  293    HA   VAL  43           HA       VAL  43  -4.831   6.050  -1.186
  294    HB   VAL  43           HB       VAL  43  -4.979   8.093  -2.740
  295   HG11  VAL  43          HG11      VAL  43  -3.841  10.123  -2.055
  296   HG12  VAL  43          HG12      VAL  43  -5.163   9.784  -0.931
  297   HG13  VAL  43          HG13      VAL  43  -3.479   9.443  -0.461
  298   HG21  VAL  43          HG21      VAL  43  -3.059   6.518  -2.733
  299   HG22  VAL  43          HG22      VAL  43  -2.579   8.182  -3.124
  300   HG23  VAL  43          HG23      VAL  43  -2.251   7.527  -1.509
  301    H    HIS  44           H        HIS  44  -2.785   5.852  -0.097
  302    HA   HIS  44           HA       HIS  44  -2.099   7.682   2.094
  303    HB2  HIS  44           HB2      HIS  44  -2.776   4.751   2.486
  304    HB3  HIS  44           HB3      HIS  44  -1.661   5.605   3.555
  305    HD1  HIS  44           HD1      HIS  44  -2.803   7.810   4.883
  306    HD2  HIS  44           HD2      HIS  44  -5.313   4.975   3.071
  307    HE1  HIS  44           HE1      HIS  44  -5.111   8.120   5.920
  308    H    PHE  45           H        PHE  45   0.114   7.199   2.881
  309    HA   PHE  45           HA       PHE  45   1.760   5.413   1.213
  310    HB2  PHE  45           HB2      PHE  45   2.206   8.414   1.467
  311    HB3  PHE  45           HB3      PHE  45   3.346   7.266   0.769
  312    HD1  PHE  45           HD1      PHE  45   2.569   5.878  -1.271
  313    HD2  PHE  45           HD2      PHE  45   0.591   9.445   0.089
  314    HE1  PHE  45           HE1      PHE  45   1.490   6.124  -3.491
  315    HE2  PHE  45           HE2      PHE  45  -0.466   9.706  -2.137
  316    HZ   PHE  45           HZ       PHE  45  -0.031   8.036  -3.926
  317    H    ILE  46           H        ILE  46   4.055   5.350   2.145
  318    HA   ILE  46           HA       ILE  46   4.042   5.988   5.058
  319    HB   ILE  46           HB       ILE  46   5.012   3.367   3.907
  320   HG12  ILE  46          HG12      ILE  46   2.361   4.005   5.282
  321   HG13  ILE  46          HG13      ILE  46   2.568   3.593   3.568
  322   HG21  ILE  46          HG21      ILE  46   5.992   4.186   6.077
  323   HG22  ILE  46          HG22      ILE  46   4.347   4.236   6.759
  324   HG23  ILE  46          HG23      ILE  46   5.058   2.689   6.262
  325   HD11  ILE  46          HD11      ILE  46   3.598   1.426   4.267
  326   HD12  ILE  46          HD12      ILE  46   3.113   1.806   5.939
  327   HD13  ILE  46          HD13      ILE  46   1.880   1.611   4.669
  328    H    TYR  47           H        TYR  47   5.922   6.907   5.725
  329    HA   TYR  47           HA       TYR  47   8.438   6.642   4.218
  330    HB2  TYR  47           HB2      TYR  47   8.605   9.034   3.794
  331    HB3  TYR  47           HB3      TYR  47   7.209   8.352   2.960
  332    HD1  TYR  47           HD1      TYR  47   4.918   8.848   3.707
  333    HD2  TYR  47           HD2      TYR  47   8.341  10.631   5.599
  334    HE1  TYR  47           HE1      TYR  47   3.440  10.537   4.771
  335    HE2  TYR  47           HE2      TYR  47   6.873  12.317   6.679
  336    HH   TYR  47           HH       TYR  47   3.326  12.361   6.156
  337    H    THR  48           H        THR  48  10.036   8.362   5.299
  338    HA   THR  48           HA       THR  48   9.474   8.607   8.204
  339    HB   THR  48           HB       THR  48  11.703   7.716   8.739
  340    HG1  THR  48           HG1      THR  48  12.822   6.619   7.065
  341   HG21  THR  48          HG21      THR  48   9.739   6.200   8.724
  342   HG22  THR  48          HG22      THR  48  10.123   5.762   7.037
  343   HG23  THR  48          HG23      THR  48  11.262   5.361   8.346
  344    H    ARG  49           H        ARG  49  11.350   9.792   9.276
  345    HA   ARG  49           HA       ARG  49  11.617  12.357   8.105
  346    HB2  ARG  49           HB2      ARG  49  12.921  12.867  10.067
  347    HB3  ARG  49           HB3      ARG  49  11.574  11.805  10.501
  348    HG2  ARG  49           HG2      ARG  49  13.317  10.904  11.722
  349    HG3  ARG  49           HG3      ARG  49  13.263   9.855  10.301
  350    HD2  ARG  49           HD2      ARG  49  15.571  10.421  10.871
  351    HD3  ARG  49           HD3      ARG  49  15.161  11.162   9.319
  352    HE   ARG  49           HE       ARG  49  14.620  13.012  11.428
  353   HH11  ARG  49          HH11      ARG  49  17.331  11.503   9.738
  354   HH12  ARG  49          HH12      ARG  49  18.413  12.843  10.031
  355   HH21  ARG  49          HH21      ARG  49  16.053  14.749  11.797
  356   HH22  ARG  49          HH22      ARG  49  17.691  14.675  11.193
  357    H    GLU  50           H        GLU  50  13.447   9.466   7.620
  358    HA   GLU  50           HA       GLU  50  15.965  10.455   6.884
  359    HB2  GLU  50           HB2      GLU  50  15.382   8.080   7.108
  360    HB3  GLU  50           HB3      GLU  50  14.370   8.177   5.647
  361    HG2  GLU  50           HG2      GLU  50  16.305   8.702   4.275
  362    HG3  GLU  50           HG3      GLU  50  17.331   8.857   5.709
  363    H    GLY  51           H        GLY  51  12.984  10.212   4.827
  364    HA2  GLY  51           HA2      GLY  51  12.788  12.443   3.593
  365    HA3  GLY  51           HA3      GLY  51  14.372  12.051   2.922
  366    H    ARG  52           H        ARG  52  12.551   9.119   3.097
  367    HA   ARG  52           HA       ARG  52  11.308   9.543   0.454
  368    HB2  ARG  52           HB2      ARG  52  13.562   7.554   0.989
  369    HB3  ARG  52           HB3      ARG  52  12.488   7.493  -0.417
  370    HG2  ARG  52           HG2      ARG  52  13.206   9.810  -1.034
  371    HG3  ARG  52           HG3      ARG  52  14.381   9.765   0.300
  372    HD2  ARG  52           HD2      ARG  52  15.460   7.791  -0.699
  373    HD3  ARG  52           HD3      ARG  52  14.263   7.793  -2.012
  374    HE   ARG  52           HE       ARG  52  15.836  10.264  -1.646
  375   HH11  ARG  52          HH11      ARG  52  15.421   7.238  -3.432
  376   HH12  ARG  52          HH12      ARG  52  16.420   7.758  -4.770
  377   HH21  ARG  52          HH21      ARG  52  17.116  10.918  -3.415
  378   HH22  ARG  52          HH22      ARG  52  17.361   9.837  -4.765
  379    H    GLN  53           H        GLN  53  10.145   7.480  -0.221
  380    HA   GLN  53           HA       GLN  53   8.404   6.703   1.894
  381    HB2  GLN  53           HB2      GLN  53   8.861   5.333  -0.787
  382    HB3  GLN  53           HB3      GLN  53   7.431   5.190   0.249
  383    HG2  GLN  53           HG2      GLN  53   8.396   7.675  -1.221
  384    HG3  GLN  53           HG3      GLN  53   6.936   6.727  -1.554
  385   HE21  GLN  53          HE21      GLN  53   5.613   6.424   0.721
  386   HE22  GLN  53          HE22      GLN  53   5.280   7.958   1.500
  387    H    SER  54           H        SER  54   8.183   4.738   3.025
  388    HA   SER  54           HA       SER  54  10.658   3.413   3.676
  389    HB2  SER  54           HB2      SER  54   7.783   2.658   4.337
  390    HB3  SER  54           HB3      SER  54   9.247   2.053   5.147
  391    HG   SER  54           HG       SER  54   8.336   3.784   6.300
  392    H    GLY  55           H        GLY  55   8.207   2.897   1.268
  393    HA2  GLY  55           HA2      GLY  55   9.018   1.435  -0.577
  394    HA3  GLY  55           HA3      GLY  55   9.331   0.199   0.661
  395    H    GLU  56           H        GLU  56   6.564   1.901   1.590
  396    HA   GLU  56           HA       GLU  56   4.736   0.076   0.143
  397    HB2  GLU  56           HB2      GLU  56   4.956   0.225   3.171
  398    HB3  GLU  56           HB3      GLU  56   3.758  -0.702   2.246
  399    HG2  GLU  56           HG2      GLU  56   5.666  -1.970   1.193
  400    HG3  GLU  56           HG3      GLU  56   6.770  -1.116   2.270
  401    H    ALA  57           H        ALA  57   2.463   0.469   0.745
  402    HA   ALA  57           HA       ALA  57   1.627   3.049   1.775
  403    HB1  ALA  57           HB1      ALA  57   1.648   2.493  -1.223
  404    HB2  ALA  57           HB2      ALA  57   0.748   3.815  -0.459
  405    HB3  ALA  57           HB3      ALA  57   2.523   3.785  -0.379
  406    H    PHE  58           H        PHE  58  -0.843   3.307   0.982
  407    HA   PHE  58           HA       PHE  58  -2.141   0.650   0.667
  408    HB2  PHE  58           HB2      PHE  58  -2.895   2.709   2.766
  409    HB3  PHE  58           HB3      PHE  58  -3.788   1.245   2.419
  410    HD1  PHE  58           HD1      PHE  58  -2.669  -1.026   2.903
  411    HD2  PHE  58           HD2      PHE  58  -1.111   2.743   4.251
  412    HE1  PHE  58           HE1      PHE  58  -1.379  -2.194   4.680
  413    HE2  PHE  58           HE2      PHE  58   0.134   1.597   6.031
  414    HZ   PHE  58           HZ       PHE  58   0.020  -0.884   6.264
  415    H    VAL  59           H        VAL  59  -4.413   0.832   0.086
  416    HA   VAL  59           HA       VAL  59  -5.355   3.463  -0.887
  417    HB   VAL  59           HB       VAL  59  -5.255   0.970  -2.641
  418   HG11  VAL  59          HG11      VAL  59  -7.212   2.420  -3.040
  419   HG12  VAL  59          HG12      VAL  59  -6.140   3.831  -3.202
  420   HG13  VAL  59          HG13      VAL  59  -6.071   2.513  -4.393
  421   HG21  VAL  59          HG21      VAL  59  -3.664   3.557  -2.863
  422   HG22  VAL  59          HG22      VAL  59  -3.004   1.949  -2.470
  423   HG23  VAL  59          HG23      VAL  59  -3.710   2.245  -4.067
  424    H    GLU  60           H        GLU  60  -7.287   3.639   0.167
  425    HA   GLU  60           HA       GLU  60  -8.894   1.293   0.811
  426    HB2  GLU  60           HB2      GLU  60  -9.558   4.272   0.854
  427    HB3  GLU  60           HB3      GLU  60 -10.559   2.976   1.536
  428    HG2  GLU  60           HG2      GLU  60  -8.664   2.360   3.052
  429    HG3  GLU  60           HG3      GLU  60  -7.757   3.754   2.438
  430    H    LEU  61           H        LEU  61 -10.929   0.704  -0.171
  431    HA   LEU  61           HA       LEU  61 -11.358   1.983  -2.842
  432    HB2  LEU  61           HB2      LEU  61 -11.908  -0.913  -2.258
  433    HB3  LEU  61           HB3      LEU  61 -11.773  -0.125  -3.821
  434    HG   LEU  61           HG       LEU  61  -9.377  -0.360  -1.949
  435   HD11  LEU  61          HD11      LEU  61 -10.303  -2.590  -2.444
  436   HD12  LEU  61          HD12      LEU  61 -10.215  -2.217  -4.185
  437   HD13  LEU  61          HD13      LEU  61  -8.724  -2.325  -3.225
  438   HD21  LEU  61          HD21      LEU  61  -8.122  -0.087  -4.059
  439   HD22  LEU  61          HD22      LEU  61  -9.651   0.004  -4.966
  440   HD23  LEU  61          HD23      LEU  61  -9.215   1.289  -3.810
  441    H    GLY  62           H        GLY  62 -13.653   0.719  -3.614
  442    HA2  GLY  62           HA2      GLY  62 -15.549   1.951  -1.684
  443    HA3  GLY  62           HA3      GLY  62 -15.759   1.766  -3.431
  444    H    SER  63           H        SER  63 -14.794  -1.172  -3.249
  445    HA   SER  63           HA       SER  63 -16.872  -2.409  -1.595
  446    HB2  SER  63           HB2      SER  63 -17.975  -1.589  -3.801
  447    HB3  SER  63           HB3      SER  63 -17.026  -2.880  -4.583
  448    HG   SER  63           HG       SER  63 -19.134  -3.548  -3.910
  449    H    GLU  64           H        GLU  64 -16.973  -4.817  -2.056
  450    HA   GLU  64           HA       GLU  64 -14.451  -6.084  -1.863
  451    HB2  GLU  64           HB2      GLU  64 -16.547  -7.053  -1.047
  452    HB3  GLU  64           HB3      GLU  64 -17.217  -7.050  -2.682
  453    HG2  GLU  64           HG2      GLU  64 -15.549  -8.695  -3.408
  454    HG3  GLU  64           HG3      GLU  64 -14.767  -8.641  -1.812
  455    H    ASP  65           H        ASP  65 -16.442  -5.193  -4.688
  456    HA   ASP  65           HA       ASP  65 -15.129  -6.987  -6.495
  457    HB2  ASP  65           HB2      ASP  65 -17.367  -5.916  -6.846
  458    HB3  ASP  65           HB3      ASP  65 -16.559  -4.354  -7.043
  459    H    ASP  66           H        ASP  66 -14.378  -3.737  -5.259
  460    HA   ASP  66           HA       ASP  66 -12.389  -3.144  -7.295
  461    HB2  ASP  66           HB2      ASP  66 -12.920  -1.989  -4.530
  462    HB3  ASP  66           HB3      ASP  66 -11.830  -1.299  -5.741
  463    H    VAL  67           H        VAL  67 -12.356  -4.572  -3.980
  464    HA   VAL  67           HA       VAL  67  -9.466  -4.543  -3.864
  465    HB   VAL  67           HB       VAL  67 -10.485  -4.584  -1.779
  466   HG11  VAL  67          HG11      VAL  67 -12.164  -6.956  -2.579
  467   HG12  VAL  67          HG12      VAL  67 -12.120  -6.175  -0.980
  468   HG13  VAL  67          HG13      VAL  67 -12.715  -5.260  -2.369
  469   HG21  VAL  67          HG21      VAL  67  -9.776  -7.499  -2.229
  470   HG22  VAL  67          HG22      VAL  67  -8.585  -6.202  -1.969
  471   HG23  VAL  67          HG23      VAL  67  -9.755  -6.611  -0.693
  472    H    LYS  68           H        LYS  68 -11.911  -6.974  -4.913
  473    HA   LYS  68           HA       LYS  68 -10.034  -9.050  -5.402
  474    HB2  LYS  68           HB2      LYS  68 -12.697  -8.278  -6.648
  475    HB3  LYS  68           HB3      LYS  68 -11.800  -9.732  -7.127
  476    HG2  LYS  68           HG2      LYS  68 -11.825 -10.578  -4.844
  477    HG3  LYS  68           HG3      LYS  68 -12.641  -9.111  -4.270
  478    HD2  LYS  68           HD2      LYS  68 -14.579  -9.588  -5.706
  479    HD3  LYS  68           HD3      LYS  68 -13.778 -11.035  -6.352
  480    HE2  LYS  68           HE2      LYS  68 -14.468 -10.585  -3.421
  481    HE3  LYS  68           HE3      LYS  68 -15.451 -11.529  -4.555
  482    HZ1  LYS  68           HZ1      LYS  68 -14.006 -12.932  -3.275
  483    HZ2  LYS  68           HZ2      LYS  68 -13.587 -13.000  -4.863
  484    HZ3  LYS  68           HZ3      LYS  68 -12.669 -12.133  -3.804
  485    H    MET  69           H        MET  69 -11.205  -6.378  -7.540
  486    HA   MET  69           HA       MET  69  -9.671  -7.169  -9.809
  487    HB2  MET  69           HB2      MET  69 -10.949  -4.573  -8.906
  488    HB3  MET  69           HB3      MET  69 -10.001  -4.674 -10.396
  489    HG2  MET  69           HG2      MET  69 -11.432  -6.639 -11.085
  490    HG3  MET  69           HG3      MET  69 -12.482  -6.282  -9.715
  491    HE1  MET  69           HE1      MET  69 -13.682  -3.898  -9.413
  492    HE2  MET  69           HE2      MET  69 -12.245  -2.944  -9.858
  493    HE3  MET  69           HE3      MET  69 -13.790  -2.668 -10.693
  494    H    ALA  70           H        ALA  70  -8.791  -5.335  -6.897
  495    HA   ALA  70           HA       ALA  70  -6.376  -4.245  -8.068
  496    HB1  ALA  70           HB1      ALA  70  -7.546  -3.178  -6.179
  497    HB2  ALA  70           HB2      ALA  70  -7.248  -4.613  -5.175
  498    HB3  ALA  70           HB3      ALA  70  -5.885  -3.611  -5.723
  499    H    LEU  71           H        LEU  71  -7.228  -7.271  -6.416
  500    HA   LEU  71           HA       LEU  71  -4.458  -8.014  -5.926
  501    HB2  LEU  71           HB2      LEU  71  -7.084  -9.535  -5.800
  502    HB3  LEU  71           HB3      LEU  71  -5.527 -10.169  -5.234
  503    HG   LEU  71           HG       LEU  71  -6.750  -7.570  -4.214
  504   HD11  LEU  71          HD11      LEU  71  -6.828 -10.347  -2.995
  505   HD12  LEU  71          HD12      LEU  71  -7.379  -8.846  -2.205
  506   HD13  LEU  71          HD13      LEU  71  -8.215  -9.444  -3.661
  507   HD21  LEU  71          HD21      LEU  71  -4.488  -9.303  -3.183
  508   HD22  LEU  71          HD22      LEU  71  -4.344  -7.698  -3.945
  509   HD23  LEU  71          HD23      LEU  71  -5.161  -7.860  -2.376
  510    H    LYS  72           H        LYS  72  -6.507  -8.053  -8.681
  511    HA   LYS  72           HA       LYS  72  -5.482 -10.425  -9.957
  512    HB2  LYS  72           HB2      LYS  72  -6.634  -7.907 -11.197
  513    HB3  LYS  72           HB3      LYS  72  -6.402  -9.458 -12.016
  514    HG2  LYS  72           HG2      LYS  72  -8.250  -8.916  -9.675
  515    HG3  LYS  72           HG3      LYS  72  -8.742  -9.202 -11.345
  516    HD2  LYS  72           HD2      LYS  72  -7.905 -11.499 -11.249
  517    HD3  LYS  72           HD3      LYS  72  -7.264 -11.234  -9.607
  518    HE2  LYS  72           HE2      LYS  72  -9.495 -10.796  -8.749
  519    HE3  LYS  72           HE3      LYS  72 -10.189 -10.976 -10.375
  520    HZ1  LYS  72           HZ1      LYS  72 -10.418 -12.983  -9.086
  521    HZ2  LYS  72           HZ2      LYS  72  -9.433 -13.253 -10.374
  522    HZ3  LYS  72           HZ3      LYS  72  -8.792 -13.088  -8.868
  523    H    LYS  73           H        LYS  73  -3.878  -7.448  -9.319
  524    HA   LYS  73           HA       LYS  73  -1.861  -8.172 -11.356
  525    HB2  LYS  73           HB2      LYS  73  -1.486  -5.878 -11.955
  526    HB3  LYS  73           HB3      LYS  73  -3.166  -6.309 -12.273
  527    HG2  LYS  73           HG2      LYS  73  -2.383  -5.008  -9.648
  528    HG3  LYS  73           HG3      LYS  73  -2.526  -4.057 -11.127
  529    HD2  LYS  73           HD2      LYS  73  -4.841  -4.892 -11.445
  530    HD3  LYS  73           HD3      LYS  73  -4.737  -5.712  -9.862
  531    HE2  LYS  73           HE2      LYS  73  -4.364  -2.762 -10.460
  532    HE3  LYS  73           HE3      LYS  73  -5.779  -3.498  -9.671
  533    HZ1  LYS  73           HZ1      LYS  73  -4.322  -2.601  -8.021
  534    HZ2  LYS  73           HZ2      LYS  73  -4.231  -4.245  -7.920
  535    HZ3  LYS  73           HZ3      LYS  73  -3.021  -3.396  -8.638
  536    H    ASP  74           H        ASP  74  -1.999  -8.887  -8.669
  537    HA   ASP  74           HA       ASP  74  -0.868  -7.242  -6.778
  538    HB2  ASP  74           HB2      ASP  74  -0.542  -9.220  -5.501
  539    HB3  ASP  74           HB3      ASP  74  -2.033  -9.387  -6.433
  540    H    ARG  75           H        ARG  75   0.991  -8.354  -9.464
  541    HA   ARG  75           HA       ARG  75   3.286  -7.105  -8.225
  542    HB2  ARG  75           HB2      ARG  75   4.843  -8.996  -8.516
  543    HB3  ARG  75           HB3      ARG  75   3.672  -9.181  -7.218
  544    HG2  ARG  75           HG2      ARG  75   2.281 -10.631  -8.719
  545    HG3  ARG  75           HG3      ARG  75   3.569 -10.507  -9.956
  546    HD2  ARG  75           HD2      ARG  75   5.186 -11.324  -8.205
  547    HD3  ARG  75           HD3      ARG  75   3.811 -11.584  -7.121
  548    HE   ARG  75           HE       ARG  75   4.667 -13.243  -9.356
  549   HH11  ARG  75          HH11      ARG  75   1.813 -12.347  -7.424
  550   HH12  ARG  75          HH12      ARG  75   1.003 -13.855  -7.760
  551   HH21  ARG  75          HH21      ARG  75   3.554 -15.170  -9.768
  552   HH22  ARG  75          HH22      ARG  75   1.965 -15.428  -9.089
  553    H    GLU  76           H        GLU  76   1.533  -6.768 -10.598
  554    HA   GLU  76           HA       GLU  76   3.140  -7.344 -12.933
  555    HB2  GLU  76           HB2      GLU  76   0.932  -5.291 -12.614
  556    HB3  GLU  76           HB3      GLU  76   1.570  -5.964 -14.128
  557    HG2  GLU  76           HG2      GLU  76   0.006  -7.362 -11.976
  558    HG3  GLU  76           HG3      GLU  76  -0.456  -7.110 -13.663
  559    H    SER  77           H        SER  77   2.857  -4.796 -14.207
  560    HA   SER  77           HA       SER  77   4.788  -3.035 -12.792
  561    HB2  SER  77           HB2      SER  77   6.158  -4.487 -14.177
  562    HB3  SER  77           HB3      SER  77   5.114  -4.180 -15.585
  563    HG   SER  77           HG       SER  77   7.016  -2.872 -15.540
  564    H    MET  78           H        MET  78   4.456  -0.873 -13.176
  565    HA   MET  78           HA       MET  78   2.083  -0.008 -14.583
  566    HB2  MET  78           HB2      MET  78   4.485   1.409 -13.372
  567    HB3  MET  78           HB3      MET  78   3.194   2.286 -14.213
  568    HG2  MET  78           HG2      MET  78   1.526   1.454 -12.669
  569    HG3  MET  78           HG3      MET  78   2.719   0.436 -11.853
  570    HE1  MET  78           HE1      MET  78   1.768   3.232  -9.221
  571    HE2  MET  78           HE2      MET  78   0.669   2.785 -10.541
  572    HE3  MET  78           HE3      MET  78   1.588   1.522  -9.692
  573    H    GLY  79           H        GLY  79   5.223  -0.912 -15.604
  574    HA2  GLY  79           HA2      GLY  79   5.276  -1.063 -18.138
  575    HA3  GLY  79           HA3      GLY  79   4.991   0.689 -18.107
  576    H    HIS  80           H        HIS  80   6.827   0.271 -15.413
  577    HA   HIS  80           HA       HIS  80   9.426   0.092 -16.765
  578    HB2  HIS  80           HB2      HIS  80   8.600   2.423 -17.130
  579    HB3  HIS  80           HB3      HIS  80   8.527   2.645 -15.379
  580    HD1  HIS  80           HD1      HIS  80  10.582   4.116 -14.754
  581    HD2  HIS  80           HD2      HIS  80  11.364   1.193 -17.668
  582    HE1  HIS  80           HE1      HIS  80  13.074   4.270 -15.286
  583    H    ARG  81           H        ARG  81   7.512  -0.349 -13.926
  584    HA   ARG  81           HA       ARG  81   9.935  -1.198 -12.537
  585    HB2  ARG  81           HB2      ARG  81   9.724   1.244 -12.000
  586    HB3  ARG  81           HB3      ARG  81   8.129   0.927 -11.307
  587    HG2  ARG  81           HG2      ARG  81   9.843   1.085  -9.550
  588    HG3  ARG  81           HG3      ARG  81   9.164  -0.544  -9.599
  589    HD2  ARG  81           HD2      ARG  81  11.158  -1.205 -11.063
  590    HD3  ARG  81           HD3      ARG  81  11.836   0.393 -10.712
  591    HE   ARG  81           HE       ARG  81  11.090  -1.079  -8.312
  592   HH11  ARG  81          HH11      ARG  81  13.597  -0.652 -10.768
  593   HH12  ARG  81          HH12      ARG  81  14.874  -1.276  -9.749
  594   HH21  ARG  81          HH21      ARG  81  12.782  -1.932  -7.010
  595   HH22  ARG  81          HH22      ARG  81  14.415  -1.976  -7.629
  596    H    TYR  82           H        TYR  82   9.583  -2.435 -10.685
  597    HA   TYR  82           HA       TYR  82   7.399  -4.276 -10.765
  598    HB2  TYR  82           HB2      TYR  82   9.749  -4.729 -10.229
  599    HB3  TYR  82           HB3      TYR  82   9.683  -3.630  -8.875
  600    HD1  TYR  82           HD1      TYR  82   6.737  -5.865  -8.875
  601    HD2  TYR  82           HD2      TYR  82  10.927  -5.490  -7.902
  602    HE1  TYR  82           HE1      TYR  82   6.556  -7.754  -7.306
  603    HE2  TYR  82           HE2      TYR  82  10.743  -7.365  -6.321
  604    HH   TYR  82           HH       TYR  82   7.635  -9.098  -5.795
  605    H    ILE  83           H        ILE  83   5.547  -4.300  -9.728
  606    HA   ILE  83           HA       ILE  83   5.038  -2.269  -7.613
  607    HB   ILE  83           HB       ILE  83   2.882  -3.436  -9.374
  608   HG12  ILE  83          HG12      ILE  83   4.542  -2.535 -10.953
  609   HG13  ILE  83          HG13      ILE  83   2.996  -1.695 -10.990
  610   HG21  ILE  83          HG21      ILE  83   3.201  -0.840  -7.825
  611   HG22  ILE  83          HG22      ILE  83   1.821  -1.203  -8.884
  612   HG23  ILE  83          HG23      ILE  83   2.119  -2.194  -7.444
  613   HD11  ILE  83          HD11      ILE  83   3.917   0.174  -9.742
  614   HD12  ILE  83          HD12      ILE  83   5.470  -0.686  -9.539
  615   HD13  ILE  83          HD13      ILE  83   4.943  -0.156 -11.148
  616    H    GLU  84           H        GLU  84   3.205  -3.049  -6.116
  617    HA   GLU  84           HA       GLU  84   2.653  -5.937  -6.221
  618    HB2  GLU  84           HB2      GLU  84   4.433  -4.621  -4.245
  619    HB3  GLU  84           HB3      GLU  84   3.167  -5.670  -3.557
  620    HG2  GLU  84           HG2      GLU  84   3.926  -7.467  -5.193
  621    HG3  GLU  84           HG3      GLU  84   5.292  -6.421  -5.593
  622    H    VAL  85           H        VAL  85   0.775  -6.525  -5.029
  623    HA   VAL  85           HA       VAL  85  -0.710  -4.363  -3.677
  624    HB   VAL  85           HB       VAL  85  -2.129  -6.016  -5.782
  625   HG11  VAL  85          HG11      VAL  85  -3.456  -4.879  -4.055
  626   HG12  VAL  85          HG12      VAL  85  -2.667  -3.332  -4.452
  627   HG13  VAL  85          HG13      VAL  85  -3.717  -4.130  -5.641
  628   HG21  VAL  85          HG21      VAL  85  -0.820  -3.316  -6.199
  629   HG22  VAL  85          HG22      VAL  85  -0.373  -4.850  -7.002
  630   HG23  VAL  85          HG23      VAL  85  -1.948  -4.120  -7.324
  631    H    PHE  86           H        PHE  86  -1.451  -5.224  -1.836
  632    HA   PHE  86           HA       PHE  86  -2.111  -8.144  -1.778
  633    HB2  PHE  86           HB2      PHE  86   0.153  -7.535  -0.827
  634    HB3  PHE  86           HB3      PHE  86  -0.675  -6.610   0.413
  635    HD1  PHE  86           HD1      PHE  86  -2.026  -7.778   2.111
  636    HD2  PHE  86           HD2      PHE  86   0.331  -9.973  -0.740
  637    HE1  PHE  86           HE1      PHE  86  -2.206  -9.800   3.518
  638    HE2  PHE  86           HE2      PHE  86   0.111 -11.988   0.613
  639    HZ   PHE  86           HZ       PHE  86  -1.150 -11.931   2.768
  640    H    LYS  87           H        LYS  87  -3.628  -8.698   0.047
  641    HA   LYS  87           HA       LYS  87  -5.768  -6.749  -0.049
  642    HB2  LYS  87           HB2      LYS  87  -5.893  -9.288  -0.256
  643    HB3  LYS  87           HB3      LYS  87  -5.723  -9.356   1.507
  644    HG2  LYS  87           HG2      LYS  87  -7.728  -7.911   1.718
  645    HG3  LYS  87           HG3      LYS  87  -7.832  -7.810  -0.053
  646    HD2  LYS  87           HD2      LYS  87  -8.092 -10.305  -0.142
  647    HD3  LYS  87           HD3      LYS  87  -8.112 -10.333   1.636
  648    HE2  LYS  87           HE2      LYS  87 -10.084  -8.805   1.604
  649    HE3  LYS  87           HE3      LYS  87 -10.072  -8.844  -0.167
  650    HZ1  LYS  87           HZ1      LYS  87 -10.453 -11.177   1.589
  651    HZ2  LYS  87           HZ2      LYS  87 -11.638 -10.405   0.755
  652    HZ3  LYS  87           HZ3      LYS  87 -10.451 -11.209  -0.057
  653    H    SER  88           H        SER  88  -6.858  -5.827   1.780
  654    HA   SER  88           HA       SER  88  -5.322  -5.755   4.314
  655    HB2  SER  88           HB2      SER  88  -4.436  -3.960   2.831
  656    HB3  SER  88           HB3      SER  88  -6.060  -3.245   2.779
  657    HG   SER  88           HG       SER  88  -4.685  -2.342   4.411
  658    H    HIS  89           H        HIS  89  -6.567  -3.977   5.779
  659    HA   HIS  89           HA       HIS  89  -9.470  -4.530   5.683
  660    HB2  HIS  89           HB2      HIS  89  -9.215  -5.475   8.081
  661    HB3  HIS  89           HB3      HIS  89  -8.763  -6.523   6.729
  662    HD1  HIS  89           HD1      HIS  89  -7.281  -4.986   9.832
  663    HD2  HIS  89           HD2      HIS  89  -6.032  -6.783   6.245
  664    HE1  HIS  89           HE1      HIS  89  -4.796  -5.537  10.107
  665    H    ARG  90           H        ARG  90  -6.850  -2.563   6.699
  666    HA   ARG  90           HA       ARG  90  -7.147  -0.269   7.017
  667    HB2  ARG  90           HB2      ARG  90  -9.667  -0.914   8.595
  668    HB3  ARG  90           HB3      ARG  90  -8.968   0.679   8.379
  669    HG2  ARG  90           HG2      ARG  90  -9.356   0.713   6.045
  670    HG3  ARG  90           HG3      ARG  90  -9.760  -1.015   5.986
  671    HD2  ARG  90           HD2      ARG  90 -11.361   1.093   7.491
  672    HD3  ARG  90           HD3      ARG  90 -11.766   0.459   5.882
  673    HE   ARG  90           HE       ARG  90 -11.433  -1.719   7.693
  674   HH11  ARG  90          HH11      ARG  90 -13.667   0.925   6.980
  675   HH12  ARG  90          HH12      ARG  90 -15.062   0.078   7.601
  676   HH21  ARG  90          HH21      ARG  90 -13.271  -2.807   8.503
  677   HH22  ARG  90          HH22      ARG  90 -14.837  -2.035   8.460
  678    H    THR  91           H        THR  91  -7.382  -2.833   9.444
  679    HA   THR  91           HA       THR  91  -6.663  -1.204  11.695
  680    HB   THR  91           HB       THR  91  -6.075  -4.157  11.255
  681    HG1  THR  91           HG1      THR  91  -8.399  -2.903  12.284
  682   HG21  THR  91          HG21      THR  91  -6.520  -2.488  13.763
  683   HG22  THR  91          HG22      THR  91  -6.307  -4.257  13.720
  684   HG23  THR  91          HG23      THR  91  -4.978  -3.186  13.219
  685    H    GLU  92           H        GLU  92  -4.761  -3.124   9.331
  686    HA   GLU  92           HA       GLU  92  -2.201  -2.477  10.540
  687    HB2  GLU  92           HB2      GLU  92  -2.696  -4.438   9.022
  688    HB3  GLU  92           HB3      GLU  92  -2.843  -3.288   7.675
  689    HG2  GLU  92           HG2      GLU  92  -0.529  -2.518   8.093
  690    HG3  GLU  92           HG3      GLU  92  -0.392  -3.633   9.463
  691    H    MET  93           H        MET  93  -4.292  -1.019   8.059
  692    HA   MET  93           HA       MET  93  -2.392   0.817   7.006
  693    HB2  MET  93           HB2      MET  93  -4.561   0.200   5.948
  694    HB3  MET  93           HB3      MET  93  -5.413   1.028   7.262
  695    HG2  MET  93           HG2      MET  93  -4.227   3.150   6.618
  696    HG3  MET  93           HG3      MET  93  -3.525   2.288   5.247
  697    HE1  MET  93           HE1      MET  93  -6.621   3.870   6.903
  698    HE2  MET  93           HE2      MET  93  -7.974   3.385   5.853
  699    HE3  MET  93           HE3      MET  93  -7.159   2.176   6.869
  700    H    ASP  94           H        ASP  94  -4.649   1.002   9.797
  701    HA   ASP  94           HA       ASP  94  -4.156   3.789  10.318
  702    HB2  ASP  94           HB2      ASP  94  -6.129   2.394  11.042
  703    HB3  ASP  94           HB3      ASP  94  -5.067   1.598  12.200
  704    H    TRP  95           H        TRP  95  -2.508   0.804  11.116
  705    HA   TRP  95           HA       TRP  95  -1.137   1.838  13.460
  706    HB2  TRP  95           HB2      TRP  95  -1.741  -0.527  13.192
  707    HB3  TRP  95           HB3      TRP  95  -0.709  -0.650  11.776
  708    HD1  TRP  95           HD1      TRP  95  -0.371   0.091  15.557
  709    HE1  TRP  95           HE1      TRP  95   1.898  -0.733  16.380
  710    HE3  TRP  95           HE3      TRP  95   1.565  -1.492  11.101
  711    HZ2  TRP  95           HZ2      TRP  95   4.297  -1.887  15.236
  712    HZ3  TRP  95           HZ3      TRP  95   3.851  -2.420  10.990
  713    HH2  TRP  95           HH2      TRP  95   5.228  -2.626  13.046
  714    H    VAL  96           H        VAL  96   0.148   0.704  10.249
  715    HA   VAL  96           HA       VAL  96   2.780   1.677  10.926
  716    HB   VAL  96           HB       VAL  96   2.355  -0.295   9.513
  717   HG11  VAL  96          HG11      VAL  96   1.695   0.040   7.174
  718   HG12  VAL  96          HG12      VAL  96   0.406   0.436   8.331
  719   HG13  VAL  96          HG13      VAL  96   1.337   1.748   7.552
  720   HG21  VAL  96          HG21      VAL  96   3.860   1.906   8.053
  721   HG22  VAL  96          HG22      VAL  96   4.518   0.903   9.368
  722   HG23  VAL  96          HG23      VAL  96   4.054   0.157   7.825
  723    H    LEU  97           H        LEU  97  -0.007   3.252   9.498
  724    HA   LEU  97           HA       LEU  97   1.399   5.363   8.168
  725    HB2  LEU  97           HB2      LEU  97  -1.352   4.772   9.102
  726    HB3  LEU  97           HB3      LEU  97  -0.947   6.477   9.177
  727    HG   LEU  97           HG       LEU  97  -2.052   5.909   7.078
  728   HD11  LEU  97          HD11      LEU  97   0.858   6.707   6.684
  729   HD12  LEU  97          HD12      LEU  97  -0.491   7.045   5.583
  730   HD13  LEU  97          HD13      LEU  97  -0.455   7.792   7.196
  731   HD21  LEU  97          HD21      LEU  97  -1.227   3.613   6.706
  732   HD22  LEU  97          HD22      LEU  97  -0.919   4.653   5.316
  733   HD23  LEU  97          HD23      LEU  97   0.413   4.248   6.428
  734    H    LYS  98           H        LYS  98   1.396   4.506  11.455
  735    HA   LYS  98           HA       LYS  98   2.250   7.229  12.271
  736    HB2  LYS  98           HB2      LYS  98   0.295   5.416  13.727
  737    HB3  LYS  98           HB3      LYS  98   1.003   6.910  14.368
  738    HG2  LYS  98           HG2      LYS  98   0.031   8.151  12.399
  739    HG3  LYS  98           HG3      LYS  98  -0.810   6.655  11.932
  740    HD2  LYS  98           HD2      LYS  98  -1.897   6.593  14.162
  741    HD3  LYS  98           HD3      LYS  98  -1.072   8.115  14.585
  742    HE2  LYS  98           HE2      LYS  98  -2.202   9.252  12.700
  743    HE3  LYS  98           HE3      LYS  98  -3.013   7.737  12.263
  744    HZ1  LYS  98           HZ1      LYS  98  -3.348   9.176  14.809
  745    HZ2  LYS  98           HZ2      LYS  98  -4.430   9.150  13.570
  746    HZ3  LYS  98           HZ3      LYS  98  -4.098   7.769  14.400
  747    H    HIS  99           H        HIS  99   3.302   4.215  11.773
  748    HA   HIS  99           HA       HIS  99   5.157   4.262  14.076
  749    HB2  HIS  99           HB2      HIS  99   3.443   1.876  13.277
  750    HB3  HIS  99           HB3      HIS  99   4.810   1.806  14.396
  751    HD1  HIS  99           HD1      HIS  99   1.177   2.934  14.273
  752    HD2  HIS  99           HD2      HIS  99   4.501   2.926  16.843
  753    HE1  HIS  99           HE1      HIS  99   0.298   3.519  16.602
  754    H    SER 100           H        SER 100   5.218   4.803  11.091
  755    HA   SER 100           HA       SER 100   6.534   2.694   9.741
  756    HB2  SER 100           HB2      SER 100   7.171   4.466   8.149
  757    HB3  SER 100           HB3      SER 100   5.480   4.666   8.672
  758    HG   SER 100           HG       SER 100   6.826   6.605   8.707
  759    H    GLY 101           H        GLY 101   7.644   4.560  12.313
  760    HA2  GLY 101           HA2      GLY 101  10.209   3.321  12.342
  761    HA3  GLY 101           HA3      GLY 101  10.374   4.987  11.760
  762    HA   PRO 102           HA       PRO 102  10.310   4.858  16.471
  763    HB2  PRO 102           HB2      PRO 102  12.826   5.837  16.919
  764    HB3  PRO 102           HB3      PRO 102  12.489   4.097  16.636
  765    HG2  PRO 102           HG2      PRO 102  13.420   6.168  14.626
  766    HG3  PRO 102           HG3      PRO 102  14.088   4.528  14.915
  767    HD2  PRO 102           HD2      PRO 102  12.302   5.027  12.913
  768    HD3  PRO 102           HD3      PRO 102  12.249   3.496  13.843
  769    H5'    A   1           H5'        A   1  21.669   0.830  -1.546
  770   H5''    A   1          H5''        A   1  20.429   1.523  -0.479
  771    H4'    A   1           H4'        A   1  20.191  -1.325  -1.494
  772    H3'    A   1           H3'        A   1  20.386   0.565  -3.383
  773    H2'    A   1           H2'        A   1  19.268   2.205  -1.839
  774   HO2'    A   1          HO2'        A   1  17.458   2.766  -3.122
  775    H1'    A   1           H1'        A   1  17.085   0.102  -1.916
  776    H8     A   1           H8         A   1  16.662   0.057   1.070
  777    H61    A   1           H61        A   1  14.222   5.728   1.789
  778    H62    A   1           H62        A   1  14.452   4.171   2.555
  779    H2     A   1           H2         A   1  16.318   5.603  -2.112
  780   HO5'    A   1          HO5'        A   1  21.973  -0.829  -0.003
  781    H5'    G   2           H5'        G   2  17.543  -4.267  -3.490
  782   H5''    G   2          H5''        G   2  16.105  -3.770  -4.406
  783    H4'    G   2           H4'        G   2  17.302  -2.134  -2.144
  784    H3'    G   2           H3'        G   2  14.936  -4.042  -2.237
  785    H2'    G   2           H2'        G   2  14.255  -2.846  -0.303
  786   HO2'    G   2          HO2'        G   2  16.300  -2.800   0.763
  787    H1'    G   2           H1'        G   2  15.397  -0.452  -1.385
  788    H8     G   2           H8         G   2  12.871  -1.603   0.184
  789    H1     G   2           H1         G   2  10.269   0.987  -5.072
  790    H21    G   2           H21        G   2  11.765   1.063  -6.690
  791    H22    G   2           H22        G   2  13.390   0.441  -6.485
  792    H5'    G   3           H5'        G   3  12.980  -5.913   0.118
  793   H5''    G   3          H5''        G   3  13.742  -7.513   0.219
  794    H4'    G   3           H4'        G   3  11.806  -7.809  -1.136
  795    H3'    G   3           H3'        G   3  14.408  -8.120  -2.352
  796    H2'    G   3           H2'        G   3  14.007  -6.452  -3.925
  797   HO2'    G   3          HO2'        G   3  13.965  -8.434  -5.141
  798    H1'    G   3           H1'        G   3  11.047  -7.136  -3.746
  799    H8     G   3           H8         G   3  13.719  -4.623  -4.820
  800    H1     G   3           H1         G   3   7.722  -2.995  -6.431
  801    H21    G   3           H21        G   3   6.287  -4.322  -5.359
  802    H22    G   3           H22        G   3   6.851  -5.629  -4.335
  803    H5'    G   4           H5'        G   4  13.347  -9.331   0.907
  804   H5''    G   4          H5''        G   4  12.742 -10.981   1.173
  805    H4'    G   4           H4'        G   4  11.734  -9.463   2.799
  806    H3'    G   4           H3'        G   4  10.356 -11.317   1.369
  807    H2'    G   4           H2'        G   4   9.808  -9.682  -0.369
  808   HO2'    G   4          HO2'        G   4   7.663  -9.768   1.485
  809    H1'    G   4           H1'        G   4   9.055  -7.916   1.963
  810    H8     G   4           H8         G   4   8.056  -8.236  -1.316
  811    H1     G   4           H1         G   4  10.075  -2.201  -0.493
  812    H21    G   4           H21        G   4  11.228  -2.047   1.405
  813    H22    G   4           H22        G   4  11.574  -3.453   2.389
  814    H5'    A   5           H5'        A   5   6.740  -9.357   3.589
  815   H5''    A   5          H5''        A   5   5.848 -10.687   4.362
  816    H4'    A   5           H4'        A   5   4.368  -9.372   2.870
  817    H3'    A   5           H3'        A   5   4.982 -12.176   1.912
  818    H2'    A   5           H2'        A   5   3.374 -11.701   0.149
  819   HO2'    A   5          HO2'        A   5   1.944 -10.376   1.407
  820    H1'    A   5           H1'        A   5   4.548  -9.377  -0.557
  821    H8     A   5           H8         A   5   6.920 -12.091   0.882
  822    H61    A   5           H61        A   5   7.602 -13.852  -5.032
  823    H62    A   5           H62        A   5   8.114 -14.158  -3.383
  824    H2     A   5           H2         A   5   4.653 -10.528  -4.892
  825    H5'    U   6           H5'        U   6   0.236 -14.295   1.251
  826   H5''    U   6          H5''        U   6   1.729 -15.248   1.277
  827    H4'    U   6           H4'        U   6   0.966 -15.414  -0.961
  828    H3'    U   6           H3'        U   6   3.098 -13.290  -0.679
  829   HO3'    U   6          HO3'        U   6   3.717 -15.449  -0.188
  830    H2'    U   6           H2'        U   6   3.112 -13.062  -3.009
  831   HO2'    U   6          HO2'        U   6   3.058 -15.399  -3.409
  832    H1'    U   6           H1'        U   6   0.414 -13.373  -3.358
  833    H3     U   6           H3         U   6  -0.508  -8.995  -3.644
  834    H5     U   6           H5         U   6   3.302  -9.161  -1.903
  835    H6     U   6           H6         U   6   3.055 -11.521  -1.689
  Start of MODEL    8
    1    H    MET   1           H        MET   1   2.563 -22.709   5.986
    2    HA   MET   1           HA       MET   1   2.227 -20.370   5.714
    3    HB2  MET   1           HB2      MET   1   2.509 -21.021   2.753
    4    HB3  MET   1           HB3      MET   1   1.952 -19.472   3.418
    5    HG2  MET   1           HG2      MET   1   4.104 -19.254   4.649
    6    HG3  MET   1           HG3      MET   1   4.680 -20.739   3.883
    7    HE1  MET   1           HE1      MET   1   4.970 -19.724   0.116
    8    HE2  MET   1           HE2      MET   1   5.186 -21.011   1.325
    9    HE3  MET   1           HE3      MET   1   3.551 -20.460   0.890
   10    H    MET   2           H        MET   2   0.112 -19.444   5.048
   11    HA   MET   2           HA       MET   2  -1.905 -21.341   4.065
   12    HB2  MET   2           HB2      MET   2  -1.742 -21.821   6.498
   13    HB3  MET   2           HB3      MET   2  -2.021 -20.106   6.854
   14    HG2  MET   2           HG2      MET   2  -4.065 -21.437   7.122
   15    HG3  MET   2           HG3      MET   2  -4.250 -20.233   5.848
   16    HE1  MET   2           HE1      MET   2  -6.545 -23.152   4.649
   17    HE2  MET   2           HE2      MET   2  -6.244 -22.638   6.326
   18    HE3  MET   2           HE3      MET   2  -6.430 -21.419   5.041
   19    H    LEU   3           H        LEU   3  -3.875 -20.254   3.463
   20    HA   LEU   3           HA       LEU   3  -4.070 -17.362   3.738
   21    HB2  LEU   3           HB2      LEU   3  -3.892 -16.794   1.444
   22    HB3  LEU   3           HB3      LEU   3  -2.435 -17.698   1.850
   23    HG   LEU   3           HG       LEU   3  -4.871 -18.812   0.383
   24   HD11  LEU   3          HD11      LEU   3  -2.094 -18.042  -0.597
   25   HD12  LEU   3          HD12      LEU   3  -3.382 -18.787  -1.576
   26   HD13  LEU   3          HD13      LEU   3  -3.603 -17.153  -0.917
   27   HD21  LEU   3          HD21      LEU   3  -2.155 -20.053   0.990
   28   HD22  LEU   3          HD22      LEU   3  -3.746 -20.639   1.537
   29   HD23  LEU   3          HD23      LEU   3  -3.327 -20.703  -0.178
   30    H    GLY   4           H        GLY   4  -6.030 -16.543   2.469
   31    HA2  GLY   4           HA2      GLY   4  -7.980 -18.188   1.336
   32    HA3  GLY   4           HA3      GLY   4  -8.331 -18.142   3.072
   33    HA   PRO   5           HA       PRO   5 -10.155 -14.435   0.666
   34    HB2  PRO   5           HB2      PRO   5 -12.561 -15.571   2.081
   35    HB3  PRO   5           HB3      PRO   5 -12.473 -14.793   0.467
   36    HG2  PRO   5           HG2      PRO   5 -12.643 -17.490   0.669
   37    HG3  PRO   5           HG3      PRO   5 -11.494 -16.749  -0.497
   38    HD2  PRO   5           HD2      PRO   5 -10.912 -17.872   2.252
   39    HD3  PRO   5           HD3      PRO   5 -10.001 -18.089   0.723
   40    H    GLU   6           H        GLU   6 -10.137 -15.709   3.938
   41    HA   GLU   6           HA       GLU   6 -11.226 -13.417   5.266
   42    HB2  GLU   6           HB2      GLU   6 -10.388 -14.516   7.296
   43    HB3  GLU   6           HB3      GLU   6 -11.216 -15.673   6.237
   44    HG2  GLU   6           HG2      GLU   6  -9.022 -16.451   5.373
   45    HG3  GLU   6           HG3      GLU   6  -8.196 -15.299   6.437
   46    H    GLY   7           H        GLY   7  -8.475 -13.479   3.460
   47    HA2  GLY   7           HA2      GLY   7  -6.460 -12.360   5.093
   48    HA3  GLY   7           HA3      GLY   7  -6.627 -12.152   3.339
   49    H    GLY   8           H        GLY   8  -9.487 -10.961   4.143
   50    HA2  GLY   8           HA2      GLY   8  -9.083  -8.645   5.680
   51    HA3  GLY   8           HA3      GLY   8  -8.771  -8.209   3.992
   52    H    GLU   9           H        GLU   9 -10.858  -7.072   5.468
   53    HA   GLU   9           HA       GLU   9 -13.216  -7.927   3.917
   54    HB2  GLU   9           HB2      GLU   9 -13.160  -7.773   6.964
   55    HB3  GLU   9           HB3      GLU   9 -14.622  -7.922   5.976
   56    HG2  GLU   9           HG2      GLU   9 -13.767 -10.078   5.068
   57    HG3  GLU   9           HG3      GLU   9 -12.364  -9.956   6.150
   58    H    GLY  10           H        GLY  10 -11.216  -5.523   4.476
   59    HA2  GLY  10           HA2      GLY  10 -13.194  -3.491   5.366
   60    HA3  GLY  10           HA3      GLY  10 -11.433  -3.324   5.378
   61    H    PHE  11           H        PHE  11 -12.180  -4.740   2.459
   62    HA   PHE  11           HA       PHE  11 -11.941  -4.043   0.350
   63    HB2  PHE  11           HB2      PHE  11 -13.554  -1.604   1.067
   64    HB3  PHE  11           HB3      PHE  11 -13.431  -2.398  -0.492
   65    HD1  PHE  11           HD1      PHE  11 -13.697  -5.301   0.727
   66    HD2  PHE  11           HD2      PHE  11 -15.961  -1.669   1.150
   67    HE1  PHE  11           HE1      PHE  11 -15.722  -6.626   1.252
   68    HE2  PHE  11           HE2      PHE  11 -17.987  -2.998   1.683
   69    HZ   PHE  11           HZ       PHE  11 -17.869  -5.477   1.736
   70    H    VAL  12           H        VAL  12  -9.870  -3.500   2.074
   71    HA   VAL  12           HA       VAL  12  -8.669  -1.070   0.810
   72    HB   VAL  12           HB       VAL  12  -8.214  -2.192   3.612
   73   HG11  VAL  12          HG11      VAL  12  -6.949   0.195   2.208
   74   HG12  VAL  12          HG12      VAL  12  -6.757  -0.220   3.929
   75   HG13  VAL  12          HG13      VAL  12  -6.123  -1.309   2.687
   76   HG21  VAL  12          HG21      VAL  12  -9.024   0.080   4.326
   77   HG22  VAL  12          HG22      VAL  12  -9.508   0.386   2.647
   78   HG23  VAL  12          HG23      VAL  12 -10.272  -0.925   3.566
   79    H    VAL  13           H        VAL  13  -6.485  -1.347   0.151
   80    HA   VAL  13           HA       VAL  13  -5.343  -4.071   0.521
   81    HB   VAL  13           HB       VAL  13  -4.608  -4.105  -1.829
   82   HG11  VAL  13          HG11      VAL  13  -7.628  -3.872  -1.528
   83   HG12  VAL  13          HG12      VAL  13  -6.751  -4.768  -2.790
   84   HG13  VAL  13          HG13      VAL  13  -6.650  -5.297  -1.098
   85   HG21  VAL  13          HG21      VAL  13  -4.714  -1.699  -2.351
   86   HG22  VAL  13          HG22      VAL  13  -5.689  -2.645  -3.493
   87   HG23  VAL  13          HG23      VAL  13  -6.488  -1.735  -2.193
   88    H    LYS  14           H        LYS  14  -3.085  -4.208   0.268
   89    HA   LYS  14           HA       LYS  14  -1.654  -1.741   0.976
   90    HB2  LYS  14           HB2      LYS  14  -0.402  -4.450   0.476
   91    HB3  LYS  14           HB3      LYS  14   0.136  -3.153   1.559
   92    HG2  LYS  14           HG2      LYS  14  -1.966  -3.589   2.942
   93    HG3  LYS  14           HG3      LYS  14  -2.257  -5.007   1.910
   94    HD2  LYS  14           HD2      LYS  14   0.087  -5.804   2.529
   95    HD3  LYS  14           HD3      LYS  14   0.106  -4.513   3.754
   96    HE2  LYS  14           HE2      LYS  14  -2.045  -5.468   4.677
   97    HE3  LYS  14           HE3      LYS  14  -1.902  -6.792   3.512
   98    HZ1  LYS  14           HZ1      LYS  14  -1.013  -7.414   5.627
   99    HZ2  LYS  14           HZ2      LYS  14   0.220  -7.345   4.538
  100    HZ3  LYS  14           HZ3      LYS  14   0.012  -6.134   5.643
  101    H    LEU  15           H        LEU  15   0.329  -1.135  -0.237
  102    HA   LEU  15           HA       LEU  15   0.416  -2.032  -3.067
  103    HB2  LEU  15           HB2      LEU  15  -1.012   0.138  -2.380
  104    HB3  LEU  15           HB3      LEU  15   0.580   0.884  -2.339
  105    HG   LEU  15           HG       LEU  15  -0.447   1.296  -4.425
  106   HD11  LEU  15          HD11      LEU  15   1.548  -0.914  -5.002
  107   HD12  LEU  15          HD12      LEU  15   1.148   0.472  -6.030
  108   HD13  LEU  15          HD13      LEU  15   2.008   0.735  -4.496
  109   HD21  LEU  15          HD21      LEU  15  -2.073  -0.539  -4.441
  110   HD22  LEU  15          HD22      LEU  15  -1.170  -0.493  -5.972
  111   HD23  LEU  15          HD23      LEU  15  -0.773  -1.711  -4.743
  112    H    ARG  16           H        ARG  16   2.494  -2.035  -3.851
  113    HA   ARG  16           HA       ARG  16   4.635  -0.530  -2.475
  114    HB2  ARG  16           HB2      ARG  16   4.635  -3.558  -2.876
  115    HB3  ARG  16           HB3      ARG  16   6.092  -2.598  -2.570
  116    HG2  ARG  16           HG2      ARG  16   5.106  -1.797  -0.437
  117    HG3  ARG  16           HG3      ARG  16   3.702  -2.864  -0.707
  118    HD2  ARG  16           HD2      ARG  16   5.241  -4.810  -0.827
  119    HD3  ARG  16           HD3      ARG  16   6.611  -3.735  -0.499
  120    HE   ARG  16           HE       ARG  16   5.396  -3.182   1.685
  121   HH11  ARG  16          HH11      ARG  16   5.010  -6.300   0.067
  122   HH12  ARG  16          HH12      ARG  16   4.683  -7.160   1.554
  123   HH21  ARG  16          HH21      ARG  16   4.951  -4.289   3.574
  124   HH22  ARG  16          HH22      ARG  16   4.634  -6.017   3.551
  125    H    GLY  17           H        GLY  17   6.439  -0.170  -3.929
  126    HA2  GLY  17           HA2      GLY  17   7.150  -1.430  -6.193
  127    HA3  GLY  17           HA3      GLY  17   5.730  -0.545  -6.765
  128    H    LEU  18           H        LEU  18   8.016  -0.094  -7.970
  129    HA   LEU  18           HA       LEU  18   9.374   1.513  -8.753
  130    HB2  LEU  18           HB2      LEU  18   7.724   3.424  -7.062
  131    HB3  LEU  18           HB3      LEU  18   8.682   3.823  -8.489
  132    HG   LEU  18           HG       LEU  18   6.122   2.199  -8.347
  133   HD11  LEU  18          HD11      LEU  18   5.945   4.658  -8.508
  134   HD12  LEU  18          HD12      LEU  18   6.981   4.639  -9.956
  135   HD13  LEU  18          HD13      LEU  18   5.374   3.872  -9.994
  136   HD21  LEU  18          HD21      LEU  18   7.490   0.902  -9.824
  137   HD22  LEU  18          HD22      LEU  18   6.459   1.915 -10.856
  138   HD23  LEU  18          HD23      LEU  18   8.153   2.372 -10.602
  139    HA   PRO  19           HA       PRO  19  12.718   2.096  -6.000
  140    HB2  PRO  19           HB2      PRO  19  14.145   4.136  -7.130
  141    HB3  PRO  19           HB3      PRO  19  13.982   2.516  -7.878
  142    HG2  PRO  19           HG2      PRO  19  12.344   4.996  -8.469
  143    HG3  PRO  19           HG3      PRO  19  13.170   3.911  -9.639
  144    HD2  PRO  19           HD2      PRO  19  10.534   3.640  -9.074
  145    HD3  PRO  19           HD3      PRO  19  11.570   2.202  -9.314
  146    H    TRP  20           H        TRP  20  10.990   2.760  -4.412
  147    HA   TRP  20           HA       TRP  20  10.196   4.099  -2.780
  148    HB2  TRP  20           HB2      TRP  20  13.121   4.740  -2.961
  149    HB3  TRP  20           HB3      TRP  20  12.117   5.580  -1.792
  150    HD1  TRP  20           HD1      TRP  20  10.694   3.973  -0.070
  151    HE1  TRP  20           HE1      TRP  20  11.507   1.952   1.255
  152    HE3  TRP  20           HE3      TRP  20  14.590   2.560  -3.082
  153    HZ2  TRP  20           HZ2      TRP  20  13.796   0.138   1.186
  154    HZ3  TRP  20           HZ3      TRP  20  16.075   0.694  -2.363
  155    HH2  TRP  20           HH2      TRP  20  15.686  -0.499  -0.276
  156    H    SER  21           H        SER  21   9.590   5.164  -5.413
  157    HA   SER  21           HA       SER  21   8.888   7.864  -4.458
  158    HB2  SER  21           HB2      SER  21   9.528   8.869  -6.649
  159    HB3  SER  21           HB3      SER  21  10.921   8.307  -5.705
  160    HG   SER  21           HG       SER  21  11.004   6.467  -6.987
  161    H    CYS  22           H        CYS  22   6.841   8.389  -4.970
  162    HA   CYS  22           HA       CYS  22   5.421   7.346  -7.265
  163    HB2  CYS  22           HB2      CYS  22   5.543   5.357  -5.708
  164    HB3  CYS  22           HB3      CYS  22   4.646   6.301  -4.503
  165    HG   CYS  22           HG       CYS  22   2.535   6.707  -5.950
  166    H    SER  23           H        SER  23   3.021   8.016  -7.074
  167    HA   SER  23           HA       SER  23   2.468  10.067  -5.023
  168    HB2  SER  23           HB2      SER  23   1.753  11.715  -6.627
  169    HB3  SER  23           HB3      SER  23   3.428  11.272  -7.005
  170    HG   SER  23           HG       SER  23   2.631   9.919  -8.647
  171    H    VAL  24           H        VAL  24   0.062  10.796  -5.279
  172    HA   VAL  24           HA       VAL  24  -1.449   8.383  -5.146
  173    HB   VAL  24           HB       VAL  24  -3.018   9.588  -4.147
  174   HG11  VAL  24          HG11      VAL  24  -1.045  11.889  -4.387
  175   HG12  VAL  24          HG12      VAL  24  -2.327  11.704  -3.174
  176   HG13  VAL  24          HG13      VAL  24  -0.959  10.572  -3.185
  177   HG21  VAL  24          HG21      VAL  24  -3.956  11.713  -4.871
  178   HG22  VAL  24          HG22      VAL  24  -2.808  11.759  -6.239
  179   HG23  VAL  24          HG23      VAL  24  -4.041  10.466  -6.117
  180    H    GLU  25           H        GLU  25  -0.600  10.405  -7.823
  181    HA   GLU  25           HA       GLU  25  -2.961   9.695  -9.412
  182    HB2  GLU  25           HB2      GLU  25  -0.353  11.087 -10.144
  183    HB3  GLU  25           HB3      GLU  25  -1.787  10.925 -11.181
  184    HG2  GLU  25           HG2      GLU  25  -3.127  12.146  -9.446
  185    HG3  GLU  25           HG3      GLU  25  -1.644  12.387  -8.506
  186    H    ASP  26           H        ASP  26   0.345   8.506  -8.889
  187    HA   ASP  26           HA       ASP  26   0.349   6.871 -11.310
  188    HB2  ASP  26           HB2      ASP  26   2.044   6.763  -8.783
  189    HB3  ASP  26           HB3      ASP  26   2.365   5.870 -10.277
  190    H    VAL  27           H        VAL  27  -0.494   6.448  -7.849
  191    HA   VAL  27           HA       VAL  27  -0.745   3.587  -8.092
  192    HB   VAL  27           HB       VAL  27  -0.246   4.722  -5.984
  193   HG11  VAL  27          HG11      VAL  27  -3.121   5.710  -6.038
  194   HG12  VAL  27          HG12      VAL  27  -1.936   5.927  -4.733
  195   HG13  VAL  27          HG13      VAL  27  -1.672   6.711  -6.304
  196   HG21  VAL  27          HG21      VAL  27  -1.331   2.482  -6.013
  197   HG22  VAL  27          HG22      VAL  27  -1.714   3.435  -4.558
  198   HG23  VAL  27          HG23      VAL  27  -2.917   3.277  -5.860
  199    H    GLN  28           H        GLN  28  -3.118   6.331  -8.321
  200    HA   GLN  28           HA       GLN  28  -5.327   4.504  -8.627
  201    HB2  GLN  28           HB2      GLN  28  -6.604   6.452  -9.304
  202    HB3  GLN  28           HB3      GLN  28  -5.618   6.823  -7.879
  203    HG2  GLN  28           HG2      GLN  28  -3.927   7.872  -9.383
  204    HG3  GLN  28           HG3      GLN  28  -5.001   7.606 -10.762
  205   HE21  GLN  28          HE21      GLN  28  -4.707   9.239  -7.599
  206   HE22  GLN  28          HE22      GLN  28  -5.868  10.511  -7.935
  207    H    ASN  29           H        ASN  29  -2.860   5.749 -10.811
  208    HA   ASN  29           HA       ASN  29  -4.225   5.070 -13.261
  209    HB2  ASN  29           HB2      ASN  29  -2.488   6.375 -13.878
  210    HB3  ASN  29           HB3      ASN  29  -1.630   6.074 -12.365
  211   HD21  ASN  29          HD21      ASN  29  -0.229   4.272 -12.145
  212   HD22  ASN  29          HD22      ASN  29   0.466   3.501 -13.551
  213    H    PHE  30           H        PHE  30  -2.420   3.198 -10.846
  214    HA   PHE  30           HA       PHE  30  -1.900   1.021 -12.736
  215    HB2  PHE  30           HB2      PHE  30  -0.240   1.568 -11.116
  216    HB3  PHE  30           HB3      PHE  30  -1.381   1.422  -9.784
  217    HD1  PHE  30           HD1      PHE  30   0.408  -0.501 -12.441
  218    HD2  PHE  30           HD2      PHE  30  -1.819  -0.689  -8.768
  219    HE1  PHE  30           HE1      PHE  30   0.969  -2.907 -12.218
  220    HE2  PHE  30           HE2      PHE  30  -1.296  -3.088  -8.563
  221    HZ   PHE  30           HZ       PHE  30   0.118  -4.205 -10.282
  222    H    LEU  31           H        LEU  31  -4.227   1.737 -10.119
  223    HA   LEU  31           HA       LEU  31  -5.473  -0.934 -10.509
  224    HB2  LEU  31           HB2      LEU  31  -6.134   1.282  -8.515
  225    HB3  LEU  31           HB3      LEU  31  -6.943  -0.269  -8.651
  226    HG   LEU  31           HG       LEU  31  -5.551  -0.601  -6.860
  227   HD11  LEU  31          HD11      LEU  31  -5.327  -2.414  -8.497
  228   HD12  LEU  31          HD12      LEU  31  -3.907  -1.611  -9.205
  229   HD13  LEU  31          HD13      LEU  31  -3.852  -2.201  -7.531
  230   HD21  LEU  31          HD21      LEU  31  -3.225   0.069  -6.719
  231   HD22  LEU  31          HD22      LEU  31  -3.288   0.727  -8.370
  232   HD23  LEU  31          HD23      LEU  31  -4.271   1.460  -7.084
  233    H    SER  32           H        SER  32  -5.554   0.292 -12.785
  234    HA   SER  32           HA       SER  32  -7.445   2.315 -13.277
  235    HB2  SER  32           HB2      SER  32  -7.104   1.670 -15.636
  236    HB3  SER  32           HB3      SER  32  -5.578   1.767 -14.738
  237    HG   SER  32           HG       SER  32  -5.732  -0.133 -16.021
  238    H    ASP  33           H        ASP  33  -8.389  -0.510 -12.014
  239    HA   ASP  33           HA       ASP  33 -10.917  -0.552 -13.604
  240    HB2  ASP  33           HB2      ASP  33  -9.691  -2.937 -12.180
  241    HB3  ASP  33           HB3      ASP  33 -11.083  -2.928 -13.263
  242    H    CYS  34           H        CYS  34  -9.720   0.615 -10.856
  243    HA   CYS  34           HA       CYS  34 -11.901  -0.403  -9.092
  244    HB2  CYS  34           HB2      CYS  34  -8.982   0.156  -8.443
  245    HB3  CYS  34           HB3      CYS  34 -10.218  -0.308  -7.265
  246    HG   CYS  34           HG       CYS  34  -9.286  -1.955  -9.972
  247    H    THR  35           H        THR  35 -11.750   1.074  -6.982
  248    HA   THR  35           HA       THR  35 -11.553   3.945  -7.746
  249    HB   THR  35           HB       THR  35 -13.835   2.482  -6.361
  250    HG1  THR  35           HG1      THR  35 -15.005   3.398  -8.076
  251   HG21  THR  35          HG21      THR  35 -14.885   4.743  -6.170
  252   HG22  THR  35          HG22      THR  35 -13.461   4.537  -5.138
  253   HG23  THR  35          HG23      THR  35 -13.331   5.469  -6.653
  254    H    ILE  36           H        ILE  36 -10.628   5.174  -6.185
  255    HA   ILE  36           HA       ILE  36  -9.382   3.706  -3.970
  256    HB   ILE  36           HB       ILE  36  -8.822   6.493  -5.073
  257   HG12  ILE  36          HG12      ILE  36  -6.643   5.099  -5.716
  258   HG13  ILE  36          HG13      ILE  36  -7.765   3.731  -5.689
  259   HG21  ILE  36          HG21      ILE  36  -6.603   6.071  -3.868
  260   HG22  ILE  36          HG22      ILE  36  -7.978   6.447  -2.835
  261   HG23  ILE  36          HG23      ILE  36  -7.444   4.760  -2.997
  262   HD11  ILE  36          HD11      ILE  36  -8.055   6.293  -7.323
  263   HD12  ILE  36          HD12      ILE  36  -7.506   4.720  -7.945
  264   HD13  ILE  36          HD13      ILE  36  -9.177   4.911  -7.386
  265    H    HIS  37           H        HIS  37 -12.055   3.966  -3.639
  266    HA   HIS  37           HA       HIS  37 -13.663   4.513  -2.170
  267    HB2  HIS  37           HB2      HIS  37 -11.812   3.905  -0.634
  268    HB3  HIS  37           HB3      HIS  37 -11.451   5.621  -0.459
  269    HD1  HIS  37           HD1      HIS  37 -13.849   2.956   0.743
  270    HD2  HIS  37           HD2      HIS  37 -13.410   7.130   0.787
  271    HE1  HIS  37           HE1      HIS  37 -15.473   3.838   2.508
  272    H    ASP  38           H        ASP  38 -11.428   7.277  -2.607
  273    HA   ASP  38           HA       ASP  38 -13.718   8.918  -3.454
  274    HB2  ASP  38           HB2      ASP  38 -11.828   9.673  -1.182
  275    HB3  ASP  38           HB3      ASP  38 -12.764  10.852  -2.110
  276    H    GLY  39           H        GLY  39 -10.475   7.853  -3.813
  277    HA2  GLY  39           HA2      GLY  39  -9.251   8.442  -5.808
  278    HA3  GLY  39           HA3      GLY  39  -9.939  10.068  -5.728
  279    H    ALA  40           H        ALA  40  -8.345  11.454  -5.318
  280    HA   ALA  40           HA       ALA  40  -5.979  10.946  -3.836
  281    HB1  ALA  40           HB1      ALA  40  -7.429  13.557  -4.422
  282    HB2  ALA  40           HB2      ALA  40  -5.726  13.401  -3.926
  283    HB3  ALA  40           HB3      ALA  40  -6.256  12.754  -5.496
  284    H    ALA  41           H        ALA  41  -9.007  10.814  -2.612
  285    HA   ALA  41           HA       ALA  41  -8.251  11.962   0.024
  286    HB1  ALA  41           HB1      ALA  41 -10.116  13.152  -0.977
  287    HB2  ALA  41           HB2      ALA  41 -10.977  11.627  -1.258
  288    HB3  ALA  41           HB3      ALA  41 -10.694  12.192   0.404
  289    H    GLY  42           H        GLY  42  -7.889   9.191  -1.360
  290    HA2  GLY  42           HA2      GLY  42  -8.601   7.684   1.093
  291    HA3  GLY  42           HA3      GLY  42  -9.075   7.037  -0.492
  292    H    VAL  43           H        VAL  43  -6.212   8.737  -0.957
  293    HA   VAL  43           HA       VAL  43  -4.622   6.326  -1.164
  294    HB   VAL  43           HB       VAL  43  -4.467   8.494  -2.619
  295   HG11  VAL  43          HG11      VAL  43  -2.993  10.226  -1.805
  296   HG12  VAL  43          HG12      VAL  43  -4.346  10.055  -0.671
  297   HG13  VAL  43          HG13      VAL  43  -2.746   9.381  -0.269
  298   HG21  VAL  43          HG21      VAL  43  -1.938   7.300  -1.410
  299   HG22  VAL  43          HG22      VAL  43  -2.892   6.597  -2.735
  300   HG23  VAL  43          HG23      VAL  43  -2.065   8.149  -2.958
  301    H    HIS  44           H        HIS  44  -2.627   5.910   0.009
  302    HA   HIS  44           HA       HIS  44  -1.965   7.565   2.346
  303    HB2  HIS  44           HB2      HIS  44  -2.890   4.683   2.519
  304    HB3  HIS  44           HB3      HIS  44  -1.796   5.389   3.713
  305    HD1  HIS  44           HD1      HIS  44  -2.877   7.677   5.012
  306    HD2  HIS  44           HD2      HIS  44  -5.424   5.025   2.986
  307    HE1  HIS  44           HE1      HIS  44  -5.227   8.112   5.901
  308    H    PHE  45           H        PHE  45   0.146   6.875   3.273
  309    HA   PHE  45           HA       PHE  45   1.794   5.089   1.601
  310    HB2  PHE  45           HB2      PHE  45   2.382   8.031   2.087
  311    HB3  PHE  45           HB3      PHE  45   3.565   6.861   1.494
  312    HD1  PHE  45           HD1      PHE  45   3.347   5.840  -0.736
  313    HD2  PHE  45           HD2      PHE  45   0.647   8.898   0.619
  314    HE1  PHE  45           HE1      PHE  45   2.521   6.134  -3.055
  315    HE2  PHE  45           HE2      PHE  45  -0.172   9.200  -1.701
  316    HZ   PHE  45           HZ       PHE  45   0.737   7.792  -3.538
  317    H    ILE  46           H        ILE  46   4.099   4.994   2.697
  318    HA   ILE  46           HA       ILE  46   3.747   5.099   5.639
  319    HB   ILE  46           HB       ILE  46   4.812   2.636   4.257
  320   HG12  ILE  46          HG12      ILE  46   1.986   3.206   5.256
  321   HG13  ILE  46          HG13      ILE  46   2.489   2.877   3.579
  322   HG21  ILE  46          HG21      ILE  46   5.498   3.159   6.620
  323   HG22  ILE  46          HG22      ILE  46   3.783   3.194   7.080
  324   HG23  ILE  46          HG23      ILE  46   4.529   1.681   6.508
  325   HD11  ILE  46          HD11      ILE  46   3.470   0.692   4.463
  326   HD12  ILE  46          HD12      ILE  46   2.532   1.004   5.941
  327   HD13  ILE  46          HD13      ILE  46   1.698   0.807   4.371
  328    H    TYR  47           H        TYR  47   5.133   6.968   5.122
  329    HA   TYR  47           HA       TYR  47   7.966   6.183   5.428
  330    HB2  TYR  47           HB2      TYR  47   8.805   7.242   3.656
  331    HB3  TYR  47           HB3      TYR  47   7.317   6.586   2.968
  332    HD1  TYR  47           HD1      TYR  47   5.350   8.690   3.929
  333    HD2  TYR  47           HD2      TYR  47   9.325   8.964   2.311
  334    HE1  TYR  47           HE1      TYR  47   4.860  10.996   3.140
  335    HE2  TYR  47           HE2      TYR  47   8.842  11.280   1.509
  336    HH   TYR  47           HH       TYR  47   7.290  12.963   1.384
  337    H    THR  48           H        THR  48   9.040   8.853   5.361
  338    HA   THR  48           HA       THR  48   7.329  10.274   7.343
  339    HB   THR  48           HB       THR  48   9.339  10.754   8.701
  340    HG1  THR  48           HG1      THR  48  11.178   9.459   8.307
  341   HG21  THR  48          HG21      THR  48   9.472   8.569   9.767
  342   HG22  THR  48          HG22      THR  48   7.801   8.893   9.250
  343   HG23  THR  48          HG23      THR  48   8.830   7.783   8.303
  344    H    ARG  49           H        ARG  49   7.927  12.420   7.777
  345    HA   ARG  49           HA       ARG  49   8.315  13.950   5.392
  346    HB2  ARG  49           HB2      ARG  49   7.898  15.848   6.923
  347    HB3  ARG  49           HB3      ARG  49   6.717  14.540   7.066
  348    HG2  ARG  49           HG2      ARG  49   7.148  15.277   9.262
  349    HG3  ARG  49           HG3      ARG  49   7.941  13.703   9.097
  350    HD2  ARG  49           HD2      ARG  49  10.110  14.802   8.825
  351    HD3  ARG  49           HD3      ARG  49   9.335  16.401   8.838
  352    HE   ARG  49           HE       ARG  49   8.612  15.023  11.212
  353   HH11  ARG  49          HH11      ARG  49  11.470  16.475   9.703
  354   HH12  ARG  49          HH12      ARG  49  12.231  16.835  11.233
  355   HH21  ARG  49          HH21      ARG  49   9.639  15.502  13.186
  356   HH22  ARG  49          HH22      ARG  49  11.201  16.285  13.195
  357    H    GLU  50           H        GLU  50  10.654  12.348   6.911
  358    HA   GLU  50           HA       GLU  50  12.704  14.309   6.168
  359    HB2  GLU  50           HB2      GLU  50  12.073  14.532   8.680
  360    HB3  GLU  50           HB3      GLU  50  12.832  12.940   8.871
  361    HG2  GLU  50           HG2      GLU  50  14.497  14.625   9.323
  362    HG3  GLU  50           HG3      GLU  50  14.879  13.905   7.747
  363    H    GLY  51           H        GLY  51  11.450  11.579   5.413
  364    HA2  GLY  51           HA2      GLY  51  13.958   9.980   5.383
  365    HA3  GLY  51           HA3      GLY  51  12.358   9.281   5.679
  366    H    ARG  52           H        ARG  52  12.363   8.005   3.918
  367    HA   ARG  52           HA       ARG  52  12.007   9.145   1.224
  368    HB2  ARG  52           HB2      ARG  52  14.445   7.481   2.013
  369    HB3  ARG  52           HB3      ARG  52  13.907   7.668   0.341
  370    HG2  ARG  52           HG2      ARG  52  14.824   9.933   2.153
  371    HG3  ARG  52           HG3      ARG  52  15.736   9.194   0.823
  372    HD2  ARG  52           HD2      ARG  52  13.857   9.817  -0.731
  373    HD3  ARG  52           HD3      ARG  52  13.116  10.729   0.591
  374    HE   ARG  52           HE       ARG  52  15.509  11.431  -0.967
  375   HH11  ARG  52          HH11      ARG  52  13.625  12.104   1.956
  376   HH12  ARG  52          HH12      ARG  52  14.302  13.704   2.153
  377   HH21  ARG  52          HH21      ARG  52  16.372  13.512  -0.670
  378   HH22  ARG  52          HH22      ARG  52  15.852  14.492   0.680
  379    H    GLN  53           H        GLN  53  11.006   7.143   3.474
  380    HA   GLN  53           HA       GLN  53  11.136   4.586   2.216
  381    HB2  GLN  53           HB2      GLN  53  10.761   5.532   4.760
  382    HB3  GLN  53           HB3      GLN  53   9.135   4.955   4.361
  383    HG2  GLN  53           HG2      GLN  53  11.690   3.317   4.038
  384    HG3  GLN  53           HG3      GLN  53  10.625   3.253   5.456
  385   HE21  GLN  53          HE21      GLN  53   8.189   2.983   4.841
  386   HE22  GLN  53          HE22      GLN  53   7.856   1.737   3.676
  387    H    SER  54           H        SER  54   9.518   7.022   1.016
  388    HA   SER  54           HA       SER  54   6.862   6.106   0.585
  389    HB2  SER  54           HB2      SER  54   7.639   8.433   0.268
  390    HB3  SER  54           HB3      SER  54   8.598   7.918  -1.136
  391    HG   SER  54           HG       SER  54   6.659   7.257  -2.119
  392    H    GLY  55           H        GLY  55   7.845   3.734   0.264
  393    HA2  GLY  55           HA2      GLY  55   7.744   3.197  -2.660
  394    HA3  GLY  55           HA3      GLY  55   9.018   2.463  -1.652
  395    H    GLU  56           H        GLU  56   6.222   3.025   0.116
  396    HA   GLU  56           HA       GLU  56   4.858   0.479  -0.423
  397    HB2  GLU  56           HB2      GLU  56   6.665  -0.116   1.157
  398    HB3  GLU  56           HB3      GLU  56   6.183   1.223   2.221
  399    HG2  GLU  56           HG2      GLU  56   3.966   0.204   2.486
  400    HG3  GLU  56           HG3      GLU  56   4.432  -1.149   1.453
  401    H    ALA  57           H        ALA  57   2.680   0.574   0.359
  402    HA   ALA  57           HA       ALA  57   1.684   3.019   1.607
  403    HB1  ALA  57           HB1      ALA  57   2.204   3.902  -0.586
  404    HB2  ALA  57           HB2      ALA  57   1.478   2.499  -1.385
  405    HB3  ALA  57           HB3      ALA  57   0.445   3.657  -0.537
  406    H    PHE  58           H        PHE  58  -0.813   3.136   1.035
  407    HA   PHE  58           HA       PHE  58  -2.039   0.440   0.780
  408    HB2  PHE  58           HB2      PHE  58  -2.808   2.582   2.794
  409    HB3  PHE  58           HB3      PHE  58  -3.728   1.125   2.472
  410    HD1  PHE  58           HD1      PHE  58  -2.714  -1.146   3.083
  411    HD2  PHE  58           HD2      PHE  58  -1.015   2.606   4.302
  412    HE1  PHE  58           HE1      PHE  58  -1.540  -2.286   4.959
  413    HE2  PHE  58           HE2      PHE  58   0.111   1.494   6.182
  414    HZ   PHE  58           HZ       PHE  58  -0.142  -0.967   6.528
  415    H    VAL  59           H        VAL  59  -4.345   0.623   0.197
  416    HA   VAL  59           HA       VAL  59  -5.198   3.205  -0.970
  417    HB   VAL  59           HB       VAL  59  -5.079   0.588  -2.538
  418   HG11  VAL  59          HG11      VAL  59  -5.874   1.934  -4.420
  419   HG12  VAL  59          HG12      VAL  59  -7.033   2.059  -3.079
  420   HG13  VAL  59          HG13      VAL  59  -5.895   3.390  -3.404
  421   HG21  VAL  59          HG21      VAL  59  -3.489   3.168  -2.866
  422   HG22  VAL  59          HG22      VAL  59  -2.841   1.583  -2.381
  423   HG23  VAL  59          HG23      VAL  59  -3.496   1.804  -4.013
  424    H    GLU  60           H        GLU  60  -7.048   3.462   0.244
  425    HA   GLU  60           HA       GLU  60  -8.746   1.213   0.947
  426    HB2  GLU  60           HB2      GLU  60  -9.313   4.212   0.890
  427    HB3  GLU  60           HB3      GLU  60 -10.343   2.975   1.629
  428    HG2  GLU  60           HG2      GLU  60  -8.425   2.353   3.133
  429    HG3  GLU  60           HG3      GLU  60  -7.524   3.735   2.480
  430    H    LEU  61           H        LEU  61 -10.828   0.666  -0.004
  431    HA   LEU  61           HA       LEU  61 -11.267   1.954  -2.663
  432    HB2  LEU  61           HB2      LEU  61 -11.811  -0.951  -2.104
  433    HB3  LEU  61           HB3      LEU  61 -11.760  -0.138  -3.660
  434    HG   LEU  61           HG       LEU  61  -9.264  -0.340  -1.923
  435   HD11  LEU  61          HD11      LEU  61  -8.659  -2.325  -3.175
  436   HD12  LEU  61          HD12      LEU  61 -10.207  -2.587  -2.329
  437   HD13  LEU  61          HD13      LEU  61 -10.189  -2.248  -4.078
  438   HD21  LEU  61          HD21      LEU  61  -9.723  -0.019  -4.926
  439   HD22  LEU  61          HD22      LEU  61  -9.247   1.286  -3.813
  440   HD23  LEU  61          HD23      LEU  61  -8.144  -0.075  -4.107
  441    H    GLY  62           H        GLY  62 -13.551   0.892  -3.483
  442    HA2  GLY  62           HA2      GLY  62 -15.438   2.134  -1.594
  443    HA3  GLY  62           HA3      GLY  62 -15.679   1.752  -3.305
  444    H    SER  63           H        SER  63 -14.865  -1.073  -3.158
  445    HA   SER  63           HA       SER  63 -16.869  -2.275  -1.352
  446    HB2  SER  63           HB2      SER  63 -17.098  -2.395  -4.387
  447    HB3  SER  63           HB3      SER  63 -18.065  -3.347  -3.243
  448    HG   SER  63           HG       SER  63 -19.140  -1.449  -3.941
  449    H    GLU  64           H        GLU  64 -17.014  -4.703  -1.779
  450    HA   GLU  64           HA       GLU  64 -14.475  -5.941  -1.619
  451    HB2  GLU  64           HB2      GLU  64 -16.526  -6.950  -0.739
  452    HB3  GLU  64           HB3      GLU  64 -17.227  -7.025  -2.359
  453    HG2  GLU  64           HG2      GLU  64 -15.504  -8.614  -3.079
  454    HG3  GLU  64           HG3      GLU  64 -14.699  -8.492  -1.502
  455    H    ASP  65           H        ASP  65 -16.539  -5.178  -4.436
  456    HA   ASP  65           HA       ASP  65 -15.225  -6.998  -6.203
  457    HB2  ASP  65           HB2      ASP  65 -17.466  -5.921  -6.554
  458    HB3  ASP  65           HB3      ASP  65 -16.649  -4.378  -6.841
  459    H    ASP  66           H        ASP  66 -14.406  -3.756  -5.022
  460    HA   ASP  66           HA       ASP  66 -12.433  -3.233  -7.100
  461    HB2  ASP  66           HB2      ASP  66 -12.966  -1.992  -4.372
  462    HB3  ASP  66           HB3      ASP  66 -11.832  -1.363  -5.569
  463    H    VAL  67           H        VAL  67 -12.377  -4.522  -3.711
  464    HA   VAL  67           HA       VAL  67  -9.488  -4.558  -3.644
  465    HB   VAL  67           HB       VAL  67 -10.458  -4.560  -1.537
  466   HG11  VAL  67          HG11      VAL  67 -12.226  -6.884  -2.294
  467   HG12  VAL  67          HG12      VAL  67 -12.127  -6.105  -0.700
  468   HG13  VAL  67          HG13      VAL  67 -12.719  -5.170  -2.081
  469   HG21  VAL  67          HG21      VAL  67  -9.872  -7.506  -1.960
  470   HG22  VAL  67          HG22      VAL  67  -8.616  -6.259  -1.763
  471   HG23  VAL  67          HG23      VAL  67  -9.764  -6.594  -0.443
  472    H    LYS  68           H        LYS  68 -11.990  -6.968  -4.576
  473    HA   LYS  68           HA       LYS  68 -10.167  -9.104  -4.993
  474    HB2  LYS  68           HB2      LYS  68 -12.845  -8.360  -6.228
  475    HB3  LYS  68           HB3      LYS  68 -12.012  -9.897  -6.550
  476    HG2  LYS  68           HG2      LYS  68 -12.085 -10.525  -4.219
  477    HG3  LYS  68           HG3      LYS  68 -12.630  -8.916  -3.735
  478    HD2  LYS  68           HD2      LYS  68 -14.507 -10.465  -3.695
  479    HD3  LYS  68           HD3      LYS  68 -14.751  -9.246  -4.968
  480    HE2  LYS  68           HE2      LYS  68 -13.955 -10.845  -6.656
  481    HE3  LYS  68           HE3      LYS  68 -13.685 -12.057  -5.381
  482    HZ1  LYS  68           HZ1      LYS  68 -16.285 -10.871  -6.101
  483    HZ2  LYS  68           HZ2      LYS  68 -15.782 -12.389  -6.490
  484    HZ3  LYS  68           HZ3      LYS  68 -16.041 -11.986  -4.917
  485    H    MET  69           H        MET  69 -11.304  -6.473  -7.186
  486    HA   MET  69           HA       MET  69  -9.823  -7.450  -9.454
  487    HB2  MET  69           HB2      MET  69 -11.204  -4.851  -8.753
  488    HB3  MET  69           HB3      MET  69 -10.258  -5.026 -10.236
  489    HG2  MET  69           HG2      MET  69 -11.602  -7.124 -10.737
  490    HG3  MET  69           HG3      MET  69 -12.667  -6.673  -9.406
  491    HE1  MET  69           HE1      MET  69 -12.445  -3.384  -9.865
  492    HE2  MET  69           HE2      MET  69 -13.986  -3.150 -10.722
  493    HE3  MET  69           HE3      MET  69 -13.903  -4.253  -9.330
  494    H    ALA  70           H        ALA  70  -8.947  -5.358  -6.717
  495    HA   ALA  70           HA       ALA  70  -6.606  -4.242  -7.984
  496    HB1  ALA  70           HB1      ALA  70  -7.715  -3.215  -6.039
  497    HB2  ALA  70           HB2      ALA  70  -7.303  -4.633  -5.047
  498    HB3  ALA  70           HB3      ALA  70  -6.013  -3.589  -5.689
  499    H    LEU  71           H        LEU  71  -7.314  -7.235  -6.205
  500    HA   LEU  71           HA       LEU  71  -4.538  -7.973  -5.841
  501    HB2  LEU  71           HB2      LEU  71  -7.145  -9.518  -5.626
  502    HB3  LEU  71           HB3      LEU  71  -5.563 -10.129  -5.102
  503    HG   LEU  71           HG       LEU  71  -6.792  -7.544  -4.060
  504   HD11  LEU  71          HD11      LEU  71  -7.374  -8.804  -2.039
  505   HD12  LEU  71          HD12      LEU  71  -8.215  -9.454  -3.464
  506   HD13  LEU  71          HD13      LEU  71  -6.795 -10.308  -2.804
  507   HD21  LEU  71          HD21      LEU  71  -4.490  -9.248  -3.071
  508   HD22  LEU  71          HD22      LEU  71  -4.376  -7.648  -3.852
  509   HD23  LEU  71          HD23      LEU  71  -5.159  -7.803  -2.263
  510    H    LYS  72           H        LYS  72  -6.809  -8.212  -8.475
  511    HA   LYS  72           HA       LYS  72  -5.703 -10.513  -9.773
  512    HB2  LYS  72           HB2      LYS  72  -7.063  -8.083 -10.977
  513    HB3  LYS  72           HB3      LYS  72  -6.771  -9.618 -11.810
  514    HG2  LYS  72           HG2      LYS  72  -8.512  -9.224  -9.357
  515    HG3  LYS  72           HG3      LYS  72  -9.092  -9.491 -11.003
  516    HD2  LYS  72           HD2      LYS  72  -8.119 -11.737 -11.030
  517    HD3  LYS  72           HD3      LYS  72  -7.394 -11.479  -9.423
  518    HE2  LYS  72           HE2      LYS  72  -9.596 -11.174  -8.423
  519    HE3  LYS  72           HE3      LYS  72 -10.371 -11.382 -10.009
  520    HZ1  LYS  72           HZ1      LYS  72 -10.402 -13.412  -8.742
  521    HZ2  LYS  72           HZ2      LYS  72  -9.469 -13.608 -10.080
  522    HZ3  LYS  72           HZ3      LYS  72  -8.764 -13.414  -8.606
  523    H    LYS  73           H        LYS  73  -4.182  -7.515  -9.193
  524    HA   LYS  73           HA       LYS  73  -2.193  -8.199 -11.265
  525    HB2  LYS  73           HB2      LYS  73  -1.893  -5.840 -11.838
  526    HB3  LYS  73           HB3      LYS  73  -3.551  -6.340 -12.179
  527    HG2  LYS  73           HG2      LYS  73  -2.918  -5.130  -9.487
  528    HG3  LYS  73           HG3      LYS  73  -2.914  -4.086 -10.906
  529    HD2  LYS  73           HD2      LYS  73  -5.259  -5.874 -10.168
  530    HD3  LYS  73           HD3      LYS  73  -5.105  -4.190  -9.668
  531    HE2  LYS  73           HE2      LYS  73  -4.953  -3.495 -12.051
  532    HE3  LYS  73           HE3      LYS  73  -5.136  -5.187 -12.549
  533    HZ1  LYS  73           HZ1      LYS  73  -7.283  -5.202 -11.474
  534    HZ2  LYS  73           HZ2      LYS  73  -7.117  -3.624 -11.036
  535    HZ3  LYS  73           HZ3      LYS  73  -7.218  -4.024 -12.630
  536    H    ASP  74           H        ASP  74  -2.463  -8.704  -8.464
  537    HA   ASP  74           HA       ASP  74  -1.067  -7.153  -6.712
  538    HB2  ASP  74           HB2      ASP  74  -0.716  -9.254  -5.461
  539    HB3  ASP  74           HB3      ASP  74  -2.354  -9.035  -6.091
  540    H    ARG  75           H        ARG  75   0.568  -8.402  -9.464
  541    HA   ARG  75           HA       ARG  75   2.982  -7.263  -8.326
  542    HB2  ARG  75           HB2      ARG  75   4.403  -9.253  -8.936
  543    HB3  ARG  75           HB3      ARG  75   3.458  -9.333  -7.454
  544    HG2  ARG  75           HG2      ARG  75   1.770 -10.716  -8.524
  545    HG3  ARG  75           HG3      ARG  75   2.610 -10.581 -10.101
  546    HD2  ARG  75           HD2      ARG  75   4.619 -11.599  -9.091
  547    HD3  ARG  75           HD3      ARG  75   3.776 -11.704  -7.532
  548    HE   ARG  75           HE       ARG  75   2.224 -13.040  -9.520
  549   HH11  ARG  75          HH11      ARG  75   5.236 -13.412  -7.710
  550   HH12  ARG  75          HH12      ARG  75   5.222 -15.157  -7.805
  551   HH21  ARG  75          HH21      ARG  75   2.220 -15.322  -9.620
  552   HH22  ARG  75          HH22      ARG  75   3.512 -16.235  -8.878
  553    H    GLU  76           H        GLU  76   1.095  -6.750 -10.605
  554    HA   GLU  76           HA       GLU  76   2.580  -7.301 -13.029
  555    HB2  GLU  76           HB2      GLU  76   0.411  -5.242 -12.521
  556    HB3  GLU  76           HB3      GLU  76   1.005  -5.794 -14.102
  557    HG2  GLU  76           HG2      GLU  76  -0.460  -7.392 -12.021
  558    HG3  GLU  76           HG3      GLU  76  -1.014  -6.973 -13.648
  559    H    SER  77           H        SER  77   2.323  -4.736 -14.238
  560    HA   SER  77           HA       SER  77   4.316  -3.009 -12.882
  561    HB2  SER  77           HB2      SER  77   5.709  -4.526 -14.152
  562    HB3  SER  77           HB3      SER  77   4.654  -4.386 -15.574
  563    HG   SER  77           HG       SER  77   6.545  -3.087 -15.707
  564    H    MET  78           H        MET  78   4.306  -0.852 -13.671
  565    HA   MET  78           HA       MET  78   1.859   0.042 -14.943
  566    HB2  MET  78           HB2      MET  78   4.487   1.432 -14.263
  567    HB3  MET  78           HB3      MET  78   3.067   2.265 -14.930
  568    HG2  MET  78           HG2      MET  78   1.710   1.536 -13.020
  569    HG3  MET  78           HG3      MET  78   3.110   0.692 -12.342
  570    HE1  MET  78           HE1      MET  78   1.226   2.910 -10.863
  571    HE2  MET  78           HE2      MET  78   2.489   1.913 -10.107
  572    HE3  MET  78           HE3      MET  78   2.497   3.680  -9.883
  573    H    GLY  79           H        GLY  79   4.760  -1.295 -16.127
  574    HA2  GLY  79           HA2      GLY  79   4.568  -1.745 -18.612
  575    HA3  GLY  79           HA3      GLY  79   4.446   0.023 -18.783
  576    H    HIS  80           H        HIS  80   6.427  -0.106 -16.244
  577    HA   HIS  80           HA       HIS  80   8.911  -0.695 -17.731
  578    HB2  HIS  80           HB2      HIS  80   8.281   2.008 -16.489
  579    HB3  HIS  80           HB3      HIS  80   9.819   1.533 -17.216
  580    HD1  HIS  80           HD1      HIS  80   6.533   3.048 -18.146
  581    HD2  HIS  80           HD2      HIS  80   9.694   0.975 -19.986
  582    HE1  HIS  80           HE1      HIS  80   6.310   3.459 -20.656
  583    H    ARG  81           H        ARG  81   7.158  -0.734 -14.755
  584    HA   ARG  81           HA       ARG  81   9.542  -1.734 -13.418
  585    HB2  ARG  81           HB2      ARG  81   9.737   0.745 -13.168
  586    HB3  ARG  81           HB3      ARG  81   8.164   0.764 -12.365
  587    HG2  ARG  81           HG2      ARG  81   9.994   0.838 -10.734
  588    HG3  ARG  81           HG3      ARG  81   9.078  -0.665 -10.549
  589    HD2  ARG  81           HD2      ARG  81  10.822  -1.864 -11.866
  590    HD3  ARG  81           HD3      ARG  81  11.723  -0.343 -12.028
  591    HE   ARG  81           HE       ARG  81  11.179  -0.943  -9.260
  592   HH11  ARG  81          HH11      ARG  81  13.254  -1.892 -11.964
  593   HH12  ARG  81          HH12      ARG  81  14.561  -2.412 -10.926
  594   HH21  ARG  81          HH21      ARG  81  12.908  -1.594  -7.942
  595   HH22  ARG  81          HH22      ARG  81  14.357  -2.267  -8.653
  596    H    TYR  82           H        TYR  82   9.162  -2.891 -11.619
  597    HA   TYR  82           HA       TYR  82   6.768  -4.373 -11.413
  598    HB2  TYR  82           HB2      TYR  82   9.057  -5.116 -11.030
  599    HB3  TYR  82           HB3      TYR  82   9.252  -3.964  -9.729
  600    HD1  TYR  82           HD1      TYR  82   6.092  -5.908  -9.536
  601    HD2  TYR  82           HD2      TYR  82  10.300  -5.793  -8.617
  602    HE1  TYR  82           HE1      TYR  82   5.776  -7.695  -7.829
  603    HE2  TYR  82           HE2      TYR  82   9.992  -7.580  -6.943
  604    HH   TYR  82           HH       TYR  82   6.800  -9.034  -6.258
  605    H    ILE  83           H        ILE  83   4.973  -4.084 -10.368
  606    HA   ILE  83           HA       ILE  83   4.883  -2.267  -8.017
  607    HB   ILE  83           HB       ILE  83   2.607  -2.851  -9.943
  608   HG12  ILE  83          HG12      ILE  83   4.306  -1.588 -11.178
  609   HG13  ILE  83          HG13      ILE  83   2.829  -0.664 -10.894
  610   HG21  ILE  83          HG21      ILE  83   1.774  -2.176  -7.780
  611   HG22  ILE  83          HG22      ILE  83   2.953  -0.854  -7.670
  612   HG23  ILE  83          HG23      ILE  83   1.631  -0.783  -8.855
  613   HD11  ILE  83          HD11      ILE  83   4.784   0.744 -10.571
  614   HD12  ILE  83          HD12      ILE  83   3.936   0.546  -9.028
  615   HD13  ILE  83          HD13      ILE  83   5.432  -0.365  -9.343
  616    H    GLU  84           H        GLU  84   3.083  -2.970  -6.494
  617    HA   GLU  84           HA       GLU  84   2.330  -5.821  -6.739
  618    HB2  GLU  84           HB2      GLU  84   4.263  -4.604  -4.795
  619    HB3  GLU  84           HB3      GLU  84   3.134  -5.839  -4.191
  620    HG2  GLU  84           HG2      GLU  84   3.880  -7.332  -6.094
  621    HG3  GLU  84           HG3      GLU  84   5.125  -6.119  -6.465
  622    H    VAL  85           H        VAL  85   0.740  -6.490  -5.232
  623    HA   VAL  85           HA       VAL  85  -0.612  -4.410  -3.632
  624    HB   VAL  85           HB       VAL  85  -2.241  -6.228  -5.429
  625   HG11  VAL  85          HG11      VAL  85  -3.961  -4.505  -5.066
  626   HG12  VAL  85          HG12      VAL  85  -3.387  -5.171  -3.531
  627   HG13  VAL  85          HG13      VAL  85  -2.822  -3.571  -4.072
  628   HG21  VAL  85          HG21      VAL  85  -1.319  -3.412  -6.105
  629   HG22  VAL  85          HG22      VAL  85  -0.884  -4.901  -6.981
  630   HG23  VAL  85          HG23      VAL  85  -2.563  -4.333  -6.980
  631    H    PHE  86           H        PHE  86  -1.975  -5.389  -1.987
  632    HA   PHE  86           HA       PHE  86  -2.032  -8.308  -1.734
  633    HB2  PHE  86           HB2      PHE  86   0.224  -7.468  -0.898
  634    HB3  PHE  86           HB3      PHE  86  -0.636  -6.630   0.380
  635    HD1  PHE  86           HD1      PHE  86  -1.869  -7.984   2.094
  636    HD2  PHE  86           HD2      PHE  86   0.704  -9.828  -0.827
  637    HE1  PHE  86           HE1      PHE  86  -1.704  -9.999   3.522
  638    HE2  PHE  86           HE2      PHE  86   0.912 -11.806   0.626
  639    HZ   PHE  86           HZ       PHE  86  -0.303 -11.920   2.787
  640    H    LYS  87           H        LYS  87  -3.527  -8.917   0.076
  641    HA   LYS  87           HA       LYS  87  -5.681  -6.980   0.089
  642    HB2  LYS  87           HB2      LYS  87  -5.858  -9.485  -0.207
  643    HB3  LYS  87           HB3      LYS  87  -5.584  -9.649   1.540
  644    HG2  LYS  87           HG2      LYS  87  -7.555  -8.240   1.967
  645    HG3  LYS  87           HG3      LYS  87  -7.742  -7.947   0.227
  646    HD2  LYS  87           HD2      LYS  87  -8.114 -10.392  -0.122
  647    HD3  LYS  87           HD3      LYS  87  -8.023 -10.636   1.638
  648    HE2  LYS  87           HE2      LYS  87  -9.925  -9.061   1.935
  649    HE3  LYS  87           HE3      LYS  87 -10.011  -8.839   0.178
  650    HZ1  LYS  87           HZ1      LYS  87 -11.606 -10.444   0.934
  651    HZ2  LYS  87           HZ2      LYS  87 -10.496 -11.186  -0.027
  652    HZ3  LYS  87           HZ3      LYS  87 -10.442 -11.381   1.610
  653    H    SER  88           H        SER  88  -6.744  -6.115   1.937
  654    HA   SER  88           HA       SER  88  -5.240  -6.119   4.485
  655    HB2  SER  88           HB2      SER  88  -4.270  -4.310   3.079
  656    HB3  SER  88           HB3      SER  88  -5.876  -3.561   2.976
  657    HG   SER  88           HG       SER  88  -4.541  -2.712   4.672
  658    H    HIS  89           H        HIS  89  -6.500  -4.372   5.976
  659    HA   HIS  89           HA       HIS  89  -9.413  -4.742   5.706
  660    HB2  HIS  89           HB2      HIS  89  -9.447  -5.841   8.004
  661    HB3  HIS  89           HB3      HIS  89  -8.818  -6.833   6.687
  662    HD1  HIS  89           HD1      HIS  89  -7.628  -5.136   9.895
  663    HD2  HIS  89           HD2      HIS  89  -6.195  -7.437   6.685
  664    HE1  HIS  89           HE1      HIS  89  -5.252  -5.862  10.514
  665    H    ARG  90           H        ARG  90  -7.035  -2.678   6.213
  666    HA   ARG  90           HA       ARG  90  -7.122  -0.504   6.793
  667    HB2  ARG  90           HB2      ARG  90  -9.606  -0.796   6.308
  668    HB3  ARG  90           HB3      ARG  90  -9.840  -0.939   8.059
  669    HG2  ARG  90           HG2      ARG  90  -8.811   1.304   8.370
  670    HG3  ARG  90           HG3      ARG  90  -8.542   1.407   6.615
  671    HD2  ARG  90           HD2      ARG  90 -10.549   2.651   7.215
  672    HD3  ARG  90           HD3      ARG  90 -10.975   1.241   6.228
  673    HE   ARG  90           HE       ARG  90 -11.116   0.568   9.012
  674   HH11  ARG  90          HH11      ARG  90 -12.822   2.420   6.534
  675   HH12  ARG  90          HH12      ARG  90 -14.380   2.255   7.311
  676   HH21  ARG  90          HH21      ARG  90 -13.160   0.361  10.005
  677   HH22  ARG  90          HH22      ARG  90 -14.567   1.096   9.274
  678    H    THR  91           H        THR  91  -7.832  -2.916   9.303
  679    HA   THR  91           HA       THR  91  -7.196  -1.168  11.510
  680    HB   THR  91           HB       THR  91  -6.907  -4.193  11.324
  681    HG1  THR  91           HG1      THR  91  -9.023  -4.155  12.191
  682   HG21  THR  91          HG21      THR  91  -7.281  -2.300  13.681
  683   HG22  THR  91          HG22      THR  91  -7.288  -4.078  13.776
  684   HG23  THR  91          HG23      THR  91  -5.811  -3.223  13.290
  685    H    GLU  92           H        GLU  92  -5.281  -3.393   9.434
  686    HA   GLU  92           HA       GLU  92  -2.759  -2.895  10.755
  687    HB2  GLU  92           HB2      GLU  92  -3.266  -4.822   9.207
  688    HB3  GLU  92           HB3      GLU  92  -3.332  -3.657   7.858
  689    HG2  GLU  92           HG2      GLU  92  -1.010  -2.982   8.321
  690    HG3  GLU  92           HG3      GLU  92  -0.937  -4.100   9.692
  691    H    MET  93           H        MET  93  -4.592  -1.286   8.143
  692    HA   MET  93           HA       MET  93  -2.511   0.372   7.210
  693    HB2  MET  93           HB2      MET  93  -4.770   0.052   6.162
  694    HB3  MET  93           HB3      MET  93  -5.468   1.045   7.459
  695    HG2  MET  93           HG2      MET  93  -3.940   2.914   6.800
  696    HG3  MET  93           HG3      MET  93  -3.351   1.916   5.468
  697    HE1  MET  93           HE1      MET  93  -7.538   3.813   5.858
  698    HE2  MET  93           HE2      MET  93  -6.892   2.637   7.026
  699    HE3  MET  93           HE3      MET  93  -6.113   4.223   6.848
  700    H    ASP  94           H        ASP  94  -4.903   0.891   9.861
  701    HA   ASP  94           HA       ASP  94  -3.956   3.504  10.539
  702    HB2  ASP  94           HB2      ASP  94  -6.188   2.393  11.064
  703    HB3  ASP  94           HB3      ASP  94  -5.346   1.515  12.342
  704    H    TRP  95           H        TRP  95  -2.982   0.247  11.407
  705    HA   TRP  95           HA       TRP  95  -1.613   0.892  13.852
  706    HB2  TRP  95           HB2      TRP  95  -2.534  -1.332  13.257
  707    HB3  TRP  95           HB3      TRP  95  -1.348  -1.473  11.969
  708    HD1  TRP  95           HD1      TRP  95  -1.707  -1.804  15.731
  709    HE1  TRP  95           HE1      TRP  95   0.410  -2.829  16.727
  710    HE3  TRP  95           HE3      TRP  95   1.243  -1.709  11.576
  711    HZ2  TRP  95           HZ2      TRP  95   3.103  -3.462  15.834
  712    HZ3  TRP  95           HZ3      TRP  95   3.588  -2.466  11.671
  713    HH2  TRP  95           HH2      TRP  95   4.531  -3.362  13.796
  714    H    VAL  96           H        VAL  96  -0.687   1.225  10.496
  715    HA   VAL  96           HA       VAL  96   2.150   1.614  11.377
  716    HB   VAL  96           HB       VAL  96   1.846  -0.480  10.110
  717   HG11  VAL  96          HG11      VAL  96   1.382  -0.333   7.708
  718   HG12  VAL  96          HG12      VAL  96  -0.013   0.072   8.729
  719   HG13  VAL  96          HG13      VAL  96   0.916   1.376   7.939
  720   HG21  VAL  96          HG21      VAL  96   3.658  -0.131   8.543
  721   HG22  VAL  96          HG22      VAL  96   3.401   1.624   8.572
  722   HG23  VAL  96          HG23      VAL  96   3.983   0.785  10.031
  723    H    LEU  97           H        LEU  97  -0.632   3.043   9.822
  724    HA   LEU  97           HA       LEU  97   0.821   5.176   8.530
  725    HB2  LEU  97           HB2      LEU  97  -1.972   4.479   9.195
  726    HB3  LEU  97           HB3      LEU  97  -1.651   6.195   9.364
  727    HG   LEU  97           HG       LEU  97  -2.520   5.663   7.156
  728   HD11  LEU  97          HD11      LEU  97   0.394   6.539   7.053
  729   HD12  LEU  97          HD12      LEU  97  -0.847   6.857   5.827
  730   HD13  LEU  97          HD13      LEU  97  -0.992   7.582   7.445
  731   HD21  LEU  97          HD21      LEU  97   0.031   4.066   6.721
  732   HD22  LEU  97          HD22      LEU  97  -1.612   3.393   6.864
  733   HD23  LEU  97          HD23      LEU  97  -1.209   4.445   5.500
  734    H    LYS  98           H        LYS  98   0.763   4.268  11.725
  735    HA   LYS  98           HA       LYS  98   1.132   7.051  12.728
  736    HB2  LYS  98           HB2      LYS  98  -0.147   4.650  14.069
  737    HB3  LYS  98           HB3      LYS  98   0.233   6.190  14.870
  738    HG2  LYS  98           HG2      LYS  98  -1.221   7.398  13.270
  739    HG3  LYS  98           HG3      LYS  98  -1.603   5.863  12.452
  740    HD2  LYS  98           HD2      LYS  98  -2.519   4.968  14.560
  741    HD3  LYS  98           HD3      LYS  98  -2.170   6.518  15.365
  742    HE2  LYS  98           HE2      LYS  98  -3.707   7.692  13.888
  743    HE3  LYS  98           HE3      LYS  98  -3.934   6.240  12.898
  744    HZ1  LYS  98           HZ1      LYS  98  -4.970   5.171  14.738
  745    HZ2  LYS  98           HZ2      LYS  98  -4.725   6.474  15.722
  746    HZ3  LYS  98           HZ3      LYS  98  -5.744   6.588  14.434
  747    H    HIS  99           H        HIS  99   2.755   4.396  11.825
  748    HA   HIS  99           HA       HIS  99   4.940   4.782  13.764
  749    HB2  HIS  99           HB2      HIS  99   3.697   2.074  13.113
  750    HB3  HIS  99           HB3      HIS  99   5.176   2.326  14.044
  751    HD1  HIS  99           HD1      HIS  99   1.609   1.781  14.619
  752    HD2  HIS  99           HD2      HIS  99   4.696   4.033  16.371
  753    HE1  HIS  99           HE1      HIS  99   0.843   2.348  16.990
  754    H    SER 100           H        SER 100   4.372   5.507  10.960
  755    HA   SER 100           HA       SER 100   5.427   3.684   9.103
  756    HB2  SER 100           HB2      SER 100   5.444   6.722   8.938
  757    HB3  SER 100           HB3      SER 100   5.452   5.576   7.587
  758    HG   SER 100           HG       SER 100   3.384   4.818   8.579
  759    H    GLY 101           H        GLY 101   7.117   5.256  11.507
  760    HA2  GLY 101           HA2      GLY 101   9.663   4.382  10.562
  761    HA3  GLY 101           HA3      GLY 101   9.501   6.133  10.324
  762    HA   PRO 102           HA       PRO 102  10.194   6.784  14.679
  763    HB2  PRO 102           HB2      PRO 102   8.133   8.199  15.767
  764    HB3  PRO 102           HB3      PRO 102   9.237   8.896  14.535
  765    HG2  PRO 102           HG2      PRO 102   6.500   7.672  14.104
  766    HG3  PRO 102           HG3      PRO 102   7.126   9.233  13.478
  767    HD2  PRO 102           HD2      PRO 102   7.125   6.956  11.988
  768    HD3  PRO 102           HD3      PRO 102   8.453   8.149  11.859
  769    H5'    A   1           H5'        A   1  17.284  -0.271   4.117
  770   H5''    A   1          H5''        A   1  17.004   1.332   3.397
  771    H4'    A   1           H4'        A   1  16.969  -1.206   1.730
  772    H3'    A   1           H3'        A   1  19.262  -0.021   3.015
  773    H2'    A   1           H2'        A   1  18.957   1.812   1.481
  774   HO2'    A   1          HO2'        A   1  21.142   0.959   1.186
  775    H1'    A   1           H1'        A   1  18.139  -0.329  -0.420
  776    H8     A   1           H8         A   1  19.593   0.882  -2.278
  777    H61    A   1           H61        A   1  16.824   6.270  -3.736
  778    H62    A   1           H62        A   1  18.044   5.119  -4.248
  779    H2     A   1           H2         A   1  15.137   4.761   0.091
  780   HO5'    A   1          HO5'        A   1  15.071   0.360   4.212
  781    H5'    G   2           H5'        G   2  17.954  -4.771   0.211
  782   H5''    G   2          H5''        G   2  18.353  -3.126  -0.346
  783    H4'    G   2           H4'        G   2  15.628  -3.169   0.623
  784    H3'    G   2           H3'        G   2  16.343  -5.190  -1.526
  785    H2'    G   2           H2'        G   2  14.364  -4.572  -2.574
  786   HO2'    G   2          HO2'        G   2  13.043  -5.219  -0.783
  787    H1'    G   2           H1'        G   2  14.169  -2.128  -0.952
  788    H8     G   2           H8         G   2  16.332  -2.613  -4.131
  789    H1     G   2           H1         G   2  10.595   0.116  -5.015
  790    H21    G   2           H21        G   2   9.473   0.161  -3.110
  791    H22    G   2           H22        G   2  10.141  -0.494  -1.632
  792    H5'    G   3           H5'        G   3  12.153  -6.536  -0.091
  793   H5''    G   3          H5''        G   3  12.394  -8.295  -0.055
  794    H4'    G   3           H4'        G   3  10.474  -7.902  -1.412
  795    H3'    G   3           H3'        G   3  12.890  -9.021  -2.607
  796    H2'    G   3           H2'        G   3  12.872  -7.470  -4.327
  797   HO2'    G   3          HO2'        G   3  10.731  -9.227  -4.976
  798    H1'    G   3           H1'        G   3   9.877  -7.178  -3.887
  799    H8     G   3           H8         G   3  13.123  -5.536  -5.199
  800    H1     G   3           H1         G   3   7.639  -2.878  -7.237
  801    H21    G   3           H21        G   3   5.948  -3.642  -6.004
  802    H22    G   3           H22        G   3   6.202  -4.887  -4.794
  803    H5'    G   4           H5'        G   4   8.548 -11.060  -0.669
  804   H5''    G   4          H5''        G   4   8.711  -9.298  -0.818
  805    H4'    G   4           H4'        G   4   9.307 -10.805   1.760
  806    H3'    G   4           H3'        G   4   6.816 -10.910   0.638
  807    H2'    G   4           H2'        G   4   6.153  -8.730   0.406
  808   HO2'    G   4          HO2'        G   4   6.123  -9.054   3.223
  809    H1'    G   4           H1'        G   4   7.688  -7.326   2.367
  810    H8     G   4           H8         G   4   6.716  -7.780  -1.150
  811    H1     G   4           H1         G   4  10.964  -3.039  -0.379
  812    H21    G   4           H21        G   4  11.897  -3.186   1.640
  813    H22    G   4           H22        G   4  11.450  -4.442   2.773
  814    H5'    A   5           H5'        A   5   4.338 -12.811   2.873
  815   H5''    A   5          H5''        A   5   5.051 -14.433   2.966
  816    H4'    A   5           H4'        A   5   3.429 -14.907   1.445
  817    H3'    A   5           H3'        A   5   5.868 -14.635   0.209
  818    H2'    A   5           H2'        A   5   5.648 -12.415  -0.402
  819   HO2'    A   5          HO2'        A   5   5.140 -12.337  -2.632
  820    H1'    A   5           H1'        A   5   2.794 -12.787  -1.259
  821    H8     A   5           H8         A   5   3.740 -10.620   1.697
  822    H61    A   5           H61        A   5   2.759  -5.769  -2.043
  823    H62    A   5           H62        A   5   2.919  -6.275  -0.370
  824    H2     A   5           H2         A   5   3.105  -9.391  -4.576
  825    H5'    U   6           H5'        U   6   2.688 -16.124  -4.126
  826   H5''    U   6          H5''        U   6   4.163 -15.224  -3.729
  827    H4'    U   6           H4'        U   6   3.413 -14.240  -5.711
  828    H3'    U   6           H3'        U   6   2.962 -12.688  -3.241
  829   HO3'    U   6          HO3'        U   6   4.157 -11.220  -4.425
  830    H2'    U   6           H2'        U   6   1.247 -11.303  -3.936
  831   HO2'    U   6          HO2'        U   6   2.372 -10.659  -5.885
  832    H1'    U   6           H1'        U   6  -0.118 -12.880  -5.608
  833    H3     U   6           H3         U   6  -2.526 -15.603  -2.805
  834    H5     U   6           H5         U   6  -0.266 -13.062  -0.359
  835    H6     U   6           H6         U   6   0.993 -12.373  -2.277
  Start of MODEL    9
    1    H    MET   1           H        MET   1   5.150 -20.107   2.363
    2    HA   MET   1           HA       MET   1   3.453 -17.786   1.818
    3    HB2  MET   1           HB2      MET   1   2.298 -19.107   0.194
    4    HB3  MET   1           HB3      MET   1   4.019 -19.130  -0.209
    5    HG2  MET   1           HG2      MET   1   2.505 -21.328   1.261
    6    HG3  MET   1           HG3      MET   1   2.904 -21.336  -0.455
    7    HE1  MET   1           HE1      MET   1   5.132 -24.196   0.974
    8    HE2  MET   1           HE2      MET   1   3.509 -23.722   1.530
    9    HE3  MET   1           HE3      MET   1   3.884 -23.742  -0.210
   10    H    MET   2           H        MET   2   1.078 -18.419   2.075
   11    HA   MET   2           HA       MET   2   0.623 -20.369   4.263
   12    HB2  MET   2           HB2      MET   2  -0.179 -17.431   4.342
   13    HB3  MET   2           HB3      MET   2  -0.723 -18.673   5.485
   14    HG2  MET   2           HG2      MET   2   1.650 -19.114   6.097
   15    HG3  MET   2           HG3      MET   2   2.147 -17.788   5.034
   16    HE1  MET   2           HE1      MET   2   3.032 -18.025   8.040
   17    HE2  MET   2           HE2      MET   2   3.503 -16.690   6.960
   18    HE3  MET   2           HE3      MET   2   2.845 -16.339   8.577
   19    H    LEU   3           H        LEU   3  -1.873 -20.388   4.719
   20    HA   LEU   3           HA       LEU   3  -3.131 -21.180   2.261
   21    HB2  LEU   3           HB2      LEU   3  -4.129 -20.856   5.117
   22    HB3  LEU   3           HB3      LEU   3  -5.136 -21.457   3.803
   23    HG   LEU   3           HG       LEU   3  -4.321 -23.302   5.103
   24   HD11  LEU   3          HD11      LEU   3  -2.861 -23.233   2.435
   25   HD12  LEU   3          HD12      LEU   3  -3.364 -24.672   3.341
   26   HD13  LEU   3          HD13      LEU   3  -4.592 -23.590   2.649
   27   HD21  LEU   3          HD21      LEU   3  -1.480 -22.554   4.325
   28   HD22  LEU   3          HD22      LEU   3  -2.199 -22.257   5.930
   29   HD23  LEU   3          HD23      LEU   3  -2.008 -23.916   5.325
   30    H    GLY   4           H        GLY   4  -2.688 -18.080   3.521
   31    HA2  GLY   4           HA2      GLY   4  -4.350 -16.843   1.593
   32    HA3  GLY   4           HA3      GLY   4  -5.212 -16.857   3.138
   33    HA   PRO   5           HA       PRO   5  -2.209 -13.235   2.936
   34    HB2  PRO   5           HB2      PRO   5  -4.014 -11.187   2.908
   35    HB3  PRO   5           HB3      PRO   5  -3.521 -12.055   1.418
   36    HG2  PRO   5           HG2      PRO   5  -5.974 -12.545   3.134
   37    HG3  PRO   5           HG3      PRO   5  -5.898 -12.332   1.350
   38    HD2  PRO   5           HD2      PRO   5  -5.960 -14.799   2.512
   39    HD3  PRO   5           HD3      PRO   5  -4.972 -14.487   1.051
   40    H    GLU   6           H        GLU   6  -2.152 -11.361   4.570
   41    HA   GLU   6           HA       GLU   6  -2.457 -12.418   7.201
   42    HB2  GLU   6           HB2      GLU   6  -1.930  -9.590   6.203
   43    HB3  GLU   6           HB3      GLU   6  -1.762 -10.112   7.888
   44    HG2  GLU   6           HG2      GLU   6  -0.206 -11.267   5.537
   45    HG3  GLU   6           HG3      GLU   6   0.406 -10.068   6.683
   46    H    GLY   7           H        GLY   7  -4.785 -10.933   5.146
   47    HA2  GLY   7           HA2      GLY   7  -6.892 -11.183   6.973
   48    HA3  GLY   7           HA3      GLY   7  -6.328  -9.510   7.089
   49    H    GLY   8           H        GLY   8  -8.809  -9.645   6.311
   50    HA2  GLY   8           HA2      GLY   8  -8.864  -8.548   3.679
   51    HA3  GLY   8           HA3      GLY   8  -9.481 -10.216   3.649
   52    H    GLU   9           H        GLU   9  -9.881  -8.323   6.568
   53    HA   GLU   9           HA       GLU   9 -12.760  -8.655   6.412
   54    HB2  GLU   9           HB2      GLU   9 -10.955  -7.347   8.485
   55    HB3  GLU   9           HB3      GLU   9 -12.688  -7.658   8.684
   56    HG2  GLU   9           HG2      GLU   9 -12.283 -10.087   8.359
   57    HG3  GLU   9           HG3      GLU   9 -10.546  -9.770   8.210
   58    H    GLY  10           H        GLY  10 -11.063  -6.516   4.717
   59    HA2  GLY  10           HA2      GLY  10 -13.169  -4.479   4.890
   60    HA3  GLY  10           HA3      GLY  10 -11.536  -3.934   5.281
   61    H    PHE  11           H        PHE  11 -12.970  -2.863   3.182
   62    HA   PHE  11           HA       PHE  11 -12.055  -4.087   0.676
   63    HB2  PHE  11           HB2      PHE  11 -13.574  -1.502   1.107
   64    HB3  PHE  11           HB3      PHE  11 -13.435  -2.424  -0.387
   65    HD1  PHE  11           HD1      PHE  11 -13.860  -5.208   0.955
   66    HD2  PHE  11           HD2      PHE  11 -15.963  -1.466   1.225
   67    HE1  PHE  11           HE1      PHE  11 -15.941  -6.419   1.529
   68    HE2  PHE  11           HE2      PHE  11 -18.044  -2.680   1.809
   69    HZ   PHE  11           HZ       PHE  11 -18.036  -5.158   1.964
   70    H    VAL  12           H        VAL  12  -9.853  -3.621   1.974
   71    HA   VAL  12           HA       VAL  12  -8.704  -1.150   0.755
   72    HB   VAL  12           HB       VAL  12  -8.302  -2.192   3.592
   73   HG11  VAL  12          HG11      VAL  12  -6.916   0.099   2.143
   74   HG12  VAL  12          HG12      VAL  12  -6.814  -0.236   3.888
   75   HG13  VAL  12          HG13      VAL  12  -6.158  -1.402   2.730
   76   HG21  VAL  12          HG21      VAL  12  -9.487   0.385   2.480
   77   HG22  VAL  12          HG22      VAL  12 -10.339  -0.883   3.397
   78   HG23  VAL  12          HG23      VAL  12  -9.101   0.114   4.192
   79    H    VAL  13           H        VAL  13  -6.494  -1.362   0.173
   80    HA   VAL  13           HA       VAL  13  -5.312  -4.072   0.481
   81    HB   VAL  13           HB       VAL  13  -4.620  -4.077  -1.882
   82   HG11  VAL  13          HG11      VAL  13  -6.632  -5.305  -1.142
   83   HG12  VAL  13          HG12      VAL  13  -7.635  -3.888  -1.528
   84   HG13  VAL  13          HG13      VAL  13  -6.768  -4.744  -2.823
   85   HG21  VAL  13          HG21      VAL  13  -6.524  -1.718  -2.181
   86   HG22  VAL  13          HG22      VAL  13  -4.754  -1.664  -2.363
   87   HG23  VAL  13          HG23      VAL  13  -5.737  -2.600  -3.509
   88    H    LYS  14           H        LYS  14  -3.047  -4.161   0.044
   89    HA   LYS  14           HA       LYS  14  -1.634  -1.693   0.822
   90    HB2  LYS  14           HB2      LYS  14  -0.388  -4.396   0.275
   91    HB3  LYS  14           HB3      LYS  14   0.185  -3.103   1.343
   92    HG2  LYS  14           HG2      LYS  14  -1.876  -3.528   2.782
   93    HG3  LYS  14           HG3      LYS  14  -2.211  -4.940   1.759
   94    HD2  LYS  14           HD2      LYS  14   0.143  -5.760   2.316
   95    HD3  LYS  14           HD3      LYS  14   0.200  -4.471   3.545
   96    HE2  LYS  14           HE2      LYS  14  -1.957  -5.405   4.493
   97    HE3  LYS  14           HE3      LYS  14  -1.818  -6.742   3.337
   98    HZ1  LYS  14           HZ1      LYS  14  -0.912  -7.335   5.462
   99    HZ2  LYS  14           HZ2      LYS  14   0.312  -7.281   4.358
  100    HZ3  LYS  14           HZ3      LYS  14   0.111  -6.055   5.451
  101    H    LEU  15           H        LEU  15   0.420  -1.167  -0.387
  102    HA   LEU  15           HA       LEU  15   0.445  -1.959  -3.241
  103    HB2  LEU  15           HB2      LEU  15  -0.883   0.241  -2.516
  104    HB3  LEU  15           HB3      LEU  15   0.732   0.921  -2.379
  105    HG   LEU  15           HG       LEU  15  -0.151   1.481  -4.486
  106   HD11  LEU  15          HD11      LEU  15   1.678  -0.867  -5.080
  107   HD12  LEU  15          HD12      LEU  15   1.418   0.572  -6.079
  108   HD13  LEU  15          HD13      LEU  15   2.246   0.729  -4.513
  109   HD21  LEU  15          HD21      LEU  15  -1.919  -0.213  -4.621
  110   HD22  LEU  15          HD22      LEU  15  -0.969  -0.180  -6.127
  111   HD23  LEU  15          HD23      LEU  15  -0.708  -1.475  -4.938
  112    H    ARG  16           H        ARG  16   2.564  -2.084  -3.983
  113    HA   ARG  16           HA       ARG  16   4.741  -0.898  -2.349
  114    HB2  ARG  16           HB2      ARG  16   4.692  -3.816  -3.209
  115    HB3  ARG  16           HB3      ARG  16   5.984  -2.998  -2.329
  116    HG2  ARG  16           HG2      ARG  16   4.471  -2.719  -0.379
  117    HG3  ARG  16           HG3      ARG  16   3.180  -3.561  -1.275
  118    HD2  ARG  16           HD2      ARG  16   4.645  -5.529  -1.554
  119    HD3  ARG  16           HD3      ARG  16   5.935  -4.705  -0.657
  120    HE   ARG  16           HE       ARG  16   3.809  -4.665   1.095
  121   HH11  ARG  16          HH11      ARG  16   5.429  -7.180  -0.764
  122   HH12  ARG  16          HH12      ARG  16   5.199  -8.418   0.447
  123   HH21  ARG  16          HH21      ARG  16   3.470  -6.306   2.668
  124   HH22  ARG  16          HH22      ARG  16   4.049  -7.929   2.373
  125    H    GLY  17           H        GLY  17   6.649  -0.511  -3.559
  126    HA2  GLY  17           HA2      GLY  17   7.886  -1.445  -5.552
  127    HA3  GLY  17           HA3      GLY  17   6.417  -1.116  -6.484
  128    H    LEU  18           H        LEU  18   7.620   0.138  -7.883
  129    HA   LEU  18           HA       LEU  18   8.541   1.941  -8.800
  130    HB2  LEU  18           HB2      LEU  18   7.322   3.404  -6.435
  131    HB3  LEU  18           HB3      LEU  18   7.947   4.153  -7.900
  132    HG   LEU  18           HG       LEU  18   5.593   4.060  -8.063
  133   HD11  LEU  18          HD11      LEU  18   6.887   3.608 -10.126
  134   HD12  LEU  18          HD12      LEU  18   6.701   1.860  -9.840
  135   HD13  LEU  18          HD13      LEU  18   5.273   2.871 -10.151
  136   HD21  LEU  18          HD21      LEU  18   4.195   2.154  -7.923
  137   HD22  LEU  18          HD22      LEU  18   5.565   1.040  -7.808
  138   HD23  LEU  18          HD23      LEU  18   5.209   2.161  -6.467
  139    HA   PRO  19           HA       PRO  19  12.637   2.259  -7.816
  140    HB2  PRO  19           HB2      PRO  19  12.369   5.262  -8.066
  141    HB3  PRO  19           HB3      PRO  19  13.663   4.194  -8.711
  142    HG2  PRO  19           HG2      PRO  19  11.653   4.976 -10.337
  143    HG3  PRO  19           HG3      PRO  19  12.171   3.254 -10.335
  144    HD2  PRO  19           HD2      PRO  19   9.771   4.498  -8.989
  145    HD3  PRO  19           HD3      PRO  19   9.911   2.927  -9.837
  146    H    TRP  20           H        TRP  20  11.106   5.091  -6.163
  147    HA   TRP  20           HA       TRP  20  11.745   3.975  -3.554
  148    HB2  TRP  20           HB2      TRP  20  13.129   6.470  -4.597
  149    HB3  TRP  20           HB3      TRP  20  12.894   6.179  -2.881
  150    HD1  TRP  20           HD1      TRP  20  15.664   6.370  -4.663
  151    HE1  TRP  20           HE1      TRP  20  17.473   4.627  -4.231
  152    HE3  TRP  20           HE3      TRP  20  12.792   2.731  -2.463
  153    HZ2  TRP  20           HZ2      TRP  20  17.664   1.993  -2.967
  154    HZ3  TRP  20           HZ3      TRP  20  13.843   0.698  -1.607
  155    HH2  TRP  20           HH2      TRP  20  16.251   0.283  -1.927
  156    H    SER  21           H        SER  21   9.878   5.915  -5.642
  157    HA   SER  21           HA       SER  21   8.155   6.734  -3.422
  158    HB2  SER  21           HB2      SER  21   9.894   8.531  -3.564
  159    HB3  SER  21           HB3      SER  21   9.421   8.812  -5.254
  160    HG   SER  21           HG       SER  21   8.361  10.215  -3.763
  161    H    CYS  22           H        CYS  22   6.211   7.949  -4.321
  162    HA   CYS  22           HA       CYS  22   5.537   7.469  -7.130
  163    HB2  CYS  22           HB2      CYS  22   5.225   5.258  -5.914
  164    HB3  CYS  22           HB3      CYS  22   3.992   6.052  -4.914
  165    HG   CYS  22           HG       CYS  22   2.852   4.577  -6.747
  166    H    SER  23           H        SER  23   3.016   8.061  -7.314
  167    HA   SER  23           HA       SER  23   2.304  10.189  -5.365
  168    HB2  SER  23           HB2      SER  23   2.296  10.513  -8.391
  169    HB3  SER  23           HB3      SER  23   1.710  11.700  -7.209
  170    HG   SER  23           HG       SER  23   3.863  12.115  -7.903
  171    H    VAL  24           H        VAL  24  -0.012  10.844  -5.602
  172    HA   VAL  24           HA       VAL  24  -1.519   8.443  -5.470
  173    HB   VAL  24           HB       VAL  24  -3.022   9.637  -4.381
  174   HG11  VAL  24          HG11      VAL  24  -1.080  11.951  -4.732
  175   HG12  VAL  24          HG12      VAL  24  -2.291  11.771  -3.452
  176   HG13  VAL  24          HG13      VAL  24  -0.923  10.641  -3.528
  177   HG21  VAL  24          HG21      VAL  24  -4.151  10.495  -6.291
  178   HG22  VAL  24          HG22      VAL  24  -3.999  11.768  -5.073
  179   HG23  VAL  24          HG23      VAL  24  -2.929  11.784  -6.502
  180    H    GLU  25           H        GLU  25  -0.814  10.510  -8.174
  181    HA   GLU  25           HA       GLU  25  -3.242   9.763  -9.644
  182    HB2  GLU  25           HB2      GLU  25  -0.715  11.233 -10.493
  183    HB3  GLU  25           HB3      GLU  25  -2.193  11.036 -11.459
  184    HG2  GLU  25           HG2      GLU  25  -3.480  12.204  -9.652
  185    HG3  GLU  25           HG3      GLU  25  -1.962  12.479  -8.782
  186    H    ASP  26           H        ASP  26   0.104   8.619  -9.317
  187    HA   ASP  26           HA       ASP  26  -0.055   7.013 -11.767
  188    HB2  ASP  26           HB2      ASP  26   1.914   7.069  -9.445
  189    HB3  ASP  26           HB3      ASP  26   2.102   6.088 -10.911
  190    H    VAL  27           H        VAL  27  -0.512   6.567  -8.233
  191    HA   VAL  27           HA       VAL  27  -0.703   3.704  -8.444
  192    HB   VAL  27           HB       VAL  27  -0.122   4.902  -6.380
  193   HG11  VAL  27          HG11      VAL  27  -1.798   6.023  -5.040
  194   HG12  VAL  27          HG12      VAL  27  -1.703   6.788  -6.639
  195   HG13  VAL  27          HG13      VAL  27  -3.057   5.699  -6.254
  196   HG21  VAL  27          HG21      VAL  27  -2.674   3.272  -6.100
  197   HG22  VAL  27          HG22      VAL  27  -1.037   2.600  -6.290
  198   HG23  VAL  27          HG23      VAL  27  -1.444   3.559  -4.846
  199    H    GLN  28           H        GLN  28  -3.168   6.376  -8.555
  200    HA   GLN  28           HA       GLN  28  -5.330   4.475  -8.741
  201    HB2  GLN  28           HB2      GLN  28  -6.712   6.372  -9.301
  202    HB3  GLN  28           HB3      GLN  28  -5.627   6.794  -7.967
  203    HG2  GLN  28           HG2      GLN  28  -4.116   7.906  -9.602
  204    HG3  GLN  28           HG3      GLN  28  -5.277   7.573 -10.895
  205   HE21  GLN  28          HE21      GLN  28  -4.937   9.162  -7.700
  206   HE22  GLN  28          HE22      GLN  28  -6.153  10.395  -7.975
  207    H    ASN  29           H        ASN  29  -3.044   5.813 -11.067
  208    HA   ASN  29           HA       ASN  29  -4.524   5.073 -13.425
  209    HB2  ASN  29           HB2      ASN  29  -2.862   6.404 -14.163
  210    HB3  ASN  29           HB3      ASN  29  -1.916   6.160 -12.693
  211   HD21  ASN  29          HD21      ASN  29  -0.476   4.360 -12.513
  212   HD22  ASN  29          HD22      ASN  29   0.178   3.608 -13.950
  213    H    PHE  30           H        PHE  30  -2.639   3.245 -11.071
  214    HA   PHE  30           HA       PHE  30  -2.165   1.054 -12.973
  215    HB2  PHE  30           HB2      PHE  30  -0.395   1.634 -11.513
  216    HB3  PHE  30           HB3      PHE  30  -1.423   1.552 -10.088
  217    HD1  PHE  30           HD1      PHE  30   0.209  -0.494 -12.747
  218    HD2  PHE  30           HD2      PHE  30  -1.831  -0.507  -8.964
  219    HE1  PHE  30           HE1      PHE  30   0.782  -2.887 -12.440
  220    HE2  PHE  30           HE2      PHE  30  -1.317  -2.900  -8.682
  221    HZ   PHE  30           HZ       PHE  30   0.016  -4.099 -10.413
  222    H    LEU  31           H        LEU  31  -4.281   1.730 -10.145
  223    HA   LEU  31           HA       LEU  31  -5.347  -1.013 -10.270
  224    HB2  LEU  31           HB2      LEU  31  -6.101   1.358  -8.516
  225    HB3  LEU  31           HB3      LEU  31  -6.887  -0.212  -8.473
  226    HG   LEU  31           HG       LEU  31  -5.445  -0.352  -6.694
  227   HD11  LEU  31          HD11      LEU  31  -3.837  -1.567  -8.964
  228   HD12  LEU  31          HD12      LEU  31  -3.733  -1.980  -7.241
  229   HD13  LEU  31          HD13      LEU  31  -5.225  -2.321  -8.144
  230   HD21  LEU  31          HD21      LEU  31  -3.252   0.858  -8.388
  231   HD22  LEU  31          HD22      LEU  31  -4.206   1.691  -7.142
  232   HD23  LEU  31          HD23      LEU  31  -3.123   0.359  -6.686
  233    H    SER  32           H        SER  32  -5.758  -0.330 -12.686
  234    HA   SER  32           HA       SER  32  -7.944   1.234 -13.421
  235    HB2  SER  32           HB2      SER  32  -7.008  -1.414 -14.599
  236    HB3  SER  32           HB3      SER  32  -8.015  -0.199 -15.415
  237    HG   SER  32           HG       SER  32  -5.797   0.014 -15.942
  238    H    ASP  33           H        ASP  33 -10.057   0.738 -13.941
  239    HA   ASP  33           HA       ASP  33 -12.156   0.084 -13.577
  240    HB2  ASP  33           HB2      ASP  33 -10.981  -2.659 -13.044
  241    HB3  ASP  33           HB3      ASP  33 -12.667  -2.291 -13.416
  242    H    CYS  34           H        CYS  34  -9.914  -0.197 -10.952
  243    HA   CYS  34           HA       CYS  34 -11.917  -0.845  -8.936
  244    HB2  CYS  34           HB2      CYS  34  -9.102   0.297  -8.717
  245    HB3  CYS  34           HB3      CYS  34 -10.070  -0.340  -7.375
  246    HG   CYS  34           HG       CYS  34 -10.345  -2.736  -8.280
  247    H    THR  35           H        THR  35 -11.904   0.733  -6.983
  248    HA   THR  35           HA       THR  35 -12.014   3.591  -7.768
  249    HB   THR  35           HB       THR  35 -14.151   2.001  -6.264
  250    HG1  THR  35           HG1      THR  35 -15.435   2.670  -7.997
  251   HG21  THR  35          HG21      THR  35 -13.898   4.191  -5.226
  252   HG22  THR  35          HG22      THR  35 -13.917   4.987  -6.820
  253   HG23  THR  35          HG23      THR  35 -15.376   4.176  -6.202
  254    H    ILE  36           H        ILE  36 -11.770   4.981  -5.831
  255    HA   ILE  36           HA       ILE  36  -9.962   3.566  -3.942
  256    HB   ILE  36           HB       ILE  36  -9.456   6.079  -5.542
  257   HG12  ILE  36          HG12      ILE  36  -7.823   3.523  -5.485
  258   HG13  ILE  36          HG13      ILE  36  -9.279   3.599  -6.483
  259   HG21  ILE  36          HG21      ILE  36  -7.821   4.746  -3.343
  260   HG22  ILE  36          HG22      ILE  36  -7.107   5.843  -4.545
  261   HG23  ILE  36          HG23      ILE  36  -8.329   6.446  -3.426
  262   HD11  ILE  36          HD11      ILE  36  -7.340   4.210  -7.798
  263   HD12  ILE  36          HD12      ILE  36  -8.479   5.567  -7.639
  264   HD13  ILE  36          HD13      ILE  36  -6.975   5.546  -6.674
  265    H    HIS  37           H        HIS  37 -12.570   4.059  -3.378
  266    HA   HIS  37           HA       HIS  37 -13.918   4.761  -1.726
  267    HB2  HIS  37           HB2      HIS  37 -11.815   4.180  -0.463
  268    HB3  HIS  37           HB3      HIS  37 -11.477   5.905  -0.395
  269    HD1  HIS  37           HD1      HIS  37 -13.649   3.235   1.177
  270    HD2  HIS  37           HD2      HIS  37 -13.260   7.415   1.099
  271    HE1  HIS  37           HE1      HIS  37 -15.023   4.130   3.141
  272    H    ASP  38           H        ASP  38 -11.782   7.242  -3.010
  273    HA   ASP  38           HA       ASP  38 -14.022   9.097  -3.317
  274    HB2  ASP  38           HB2      ASP  38 -11.630   9.685  -1.520
  275    HB3  ASP  38           HB3      ASP  38 -12.558  10.956  -2.324
  276    H    GLY  39           H        GLY  39 -10.706   8.043  -3.905
  277    HA2  GLY  39           HA2      GLY  39  -9.267   8.457  -5.639
  278    HA3  GLY  39           HA3      GLY  39 -10.497   9.445  -6.444
  279    H    ALA  40           H        ALA  40  -7.508   9.747  -5.555
  280    HA   ALA  40           HA       ALA  40  -6.113  11.245  -4.655
  281    HB1  ALA  40           HB1      ALA  40  -8.300  13.201  -5.423
  282    HB2  ALA  40           HB2      ALA  40  -6.584  13.598  -5.162
  283    HB3  ALA  40           HB3      ALA  40  -7.060  12.550  -6.521
  284    H    ALA  41           H        ALA  41  -8.613  10.295  -2.958
  285    HA   ALA  41           HA       ALA  41  -7.850  11.825  -0.561
  286    HB1  ALA  41           HB1      ALA  41 -10.257  12.130   0.040
  287    HB2  ALA  41           HB2      ALA  41  -9.768  13.045  -1.405
  288    HB3  ALA  41           HB3      ALA  41 -10.691  11.546  -1.581
  289    H    GLY  42           H        GLY  42  -7.674   9.003  -1.838
  290    HA2  GLY  42           HA2      GLY  42  -8.341   7.578   0.687
  291    HA3  GLY  42           HA3      GLY  42  -8.793   6.886  -0.883
  292    H    VAL  43           H        VAL  43  -5.936   8.641  -1.259
  293    HA   VAL  43           HA       VAL  43  -4.305   6.267  -1.535
  294    HB   VAL  43           HB       VAL  43  -4.190   8.441  -2.923
  295   HG11  VAL  43          HG11      VAL  43  -2.860  10.267  -2.033
  296   HG12  VAL  43          HG12      VAL  43  -4.261   9.998  -0.981
  297   HG13  VAL  43          HG13      VAL  43  -2.649   9.427  -0.488
  298   HG21  VAL  43          HG21      VAL  43  -2.453   6.673  -2.980
  299   HG22  VAL  43          HG22      VAL  43  -1.775   8.298  -3.203
  300   HG23  VAL  43          HG23      VAL  43  -1.601   7.478  -1.640
  301    H    HIS  44           H        HIS  44  -2.287   5.875  -0.364
  302    HA   HIS  44           HA       HIS  44  -1.776   7.397   2.098
  303    HB2  HIS  44           HB2      HIS  44  -2.548   4.469   2.046
  304    HB3  HIS  44           HB3      HIS  44  -1.577   5.174   3.341
  305    HD1  HIS  44           HD1      HIS  44  -2.911   7.391   4.611
  306    HD2  HIS  44           HD2      HIS  44  -5.085   4.528   2.446
  307    HE1  HIS  44           HE1      HIS  44  -5.333   7.579   5.396
  308    H    PHE  45           H        PHE  45   0.307   6.908   2.998
  309    HA   PHE  45           HA       PHE  45   2.135   5.169   1.474
  310    HB2  PHE  45           HB2      PHE  45   2.588   8.143   1.929
  311    HB3  PHE  45           HB3      PHE  45   3.780   7.004   1.294
  312    HD1  PHE  45           HD1      PHE  45   3.305   5.822  -0.910
  313    HD2  PHE  45           HD2      PHE  45   1.012   9.181   0.482
  314    HE1  PHE  45           HE1      PHE  45   2.403   6.154  -3.196
  315    HE2  PHE  45           HE2      PHE  45   0.125   9.524  -1.806
  316    HZ   PHE  45           HZ       PHE  45   0.788   7.988  -3.645
  317    H    ILE  46           H        ILE  46   4.400   5.322   2.727
  318    HA   ILE  46           HA       ILE  46   3.802   5.406   5.636
  319    HB   ILE  46           HB       ILE  46   5.173   3.073   4.294
  320   HG12  ILE  46          HG12      ILE  46   2.323   3.294   5.376
  321   HG13  ILE  46          HG13      ILE  46   2.765   3.213   3.656
  322   HG21  ILE  46          HG21      ILE  46   4.094   3.534   7.118
  323   HG22  ILE  46          HG22      ILE  46   4.906   2.062   6.544
  324   HG23  ILE  46          HG23      ILE  46   5.811   3.576   6.661
  325   HD11  ILE  46          HD11      ILE  46   3.981   1.064   4.160
  326   HD12  ILE  46          HD12      ILE  46   3.191   1.093   5.759
  327   HD13  ILE  46          HD13      ILE  46   2.207   1.002   4.271
  328    H    TYR  47           H        TYR  47   4.989   7.415   5.311
  329    HA   TYR  47           HA       TYR  47   7.826   7.035   5.887
  330    HB2  TYR  47           HB2      TYR  47   8.741   8.069   4.025
  331    HB3  TYR  47           HB3      TYR  47   7.473   7.091   3.298
  332    HD1  TYR  47           HD1      TYR  47   5.172   8.349   2.893
  333    HD2  TYR  47           HD2      TYR  47   8.949  10.260   3.611
  334    HE1  TYR  47           HE1      TYR  47   4.291  10.442   1.874
  335    HE2  TYR  47           HE2      TYR  47   8.073  12.378   2.613
  336    HH   TYR  47           HH       TYR  47   6.293  13.412   1.613
  337    H    THR  48           H        THR  48   8.804   9.557   5.767
  338    HA   THR  48           HA       THR  48   6.921  11.222   7.347
  339    HB   THR  48           HB       THR  48   8.414  11.356   9.218
  340    HG1  THR  48           HG1      THR  48  10.424  10.255   9.147
  341   HG21  THR  48          HG21      THR  48   8.407   8.449   8.339
  342   HG22  THR  48          HG22      THR  48   8.576   9.059  10.006
  343   HG23  THR  48          HG23      THR  48   7.039   9.278   9.132
  344    H    ARG  49           H        ARG  49   8.571  13.089   8.303
  345    HA   ARG  49           HA       ARG  49   9.174  14.815   6.200
  346    HB2  ARG  49           HB2      ARG  49  10.261  16.167   7.917
  347    HB3  ARG  49           HB3      ARG  49   8.774  15.426   8.526
  348    HG2  ARG  49           HG2      ARG  49  10.228  15.160  10.304
  349    HG3  ARG  49           HG3      ARG  49  10.297  13.579   9.514
  350    HD2  ARG  49           HD2      ARG  49  12.427  14.267   8.402
  351    HD3  ARG  49           HD3      ARG  49  12.312  15.846   9.201
  352    HE   ARG  49           HE       ARG  49  12.159  13.931  11.238
  353   HH11  ARG  49          HH11      ARG  49  14.488  14.880   8.756
  354   HH12  ARG  49          HH12      ARG  49  15.872  14.369   9.693
  355   HH21  ARG  49          HH21      ARG  49  13.980  13.276  12.440
  356   HH22  ARG  49          HH22      ARG  49  15.585  13.471  11.777
  357    H    GLU  50           H        GLU  50  11.029  12.097   7.332
  358    HA   GLU  50           HA       GLU  50  13.614  12.792   6.439
  359    HB2  GLU  50           HB2      GLU  50  13.087  10.764   7.711
  360    HB3  GLU  50           HB3      GLU  50  12.170  10.109   6.335
  361    HG2  GLU  50           HG2      GLU  50  14.167  10.028   4.962
  362    HG3  GLU  50           HG3      GLU  50  15.095  10.909   6.184
  363    H    GLY  51           H        GLY  51  10.768  11.648   4.587
  364    HA2  GLY  51           HA2      GLY  51  10.418  12.784   2.472
  365    HA3  GLY  51           HA3      GLY  51  12.150  12.668   2.150
  366    H    ARG  52           H        ARG  52  11.271   9.627   3.405
  367    HA   ARG  52           HA       ARG  52  10.127   8.422   1.073
  368    HB2  ARG  52           HB2      ARG  52  12.153   7.307   0.205
  369    HB3  ARG  52           HB3      ARG  52  12.240   9.060   0.001
  370    HG2  ARG  52           HG2      ARG  52  13.646   9.201   2.073
  371    HG3  ARG  52           HG3      ARG  52  13.624   7.424   2.168
  372    HD2  ARG  52           HD2      ARG  52  14.625   7.312  -0.098
  373    HD3  ARG  52           HD3      ARG  52  14.669   9.085  -0.154
  374    HE   ARG  52           HE       ARG  52  16.007   8.152   2.200
  375   HH11  ARG  52          HH11      ARG  52  16.419   8.348  -1.307
  376   HH12  ARG  52          HH12      ARG  52  18.165   8.390  -1.216
  377   HH21  ARG  52          HH21      ARG  52  18.286   8.202   2.283
  378   HH22  ARG  52          HH22      ARG  52  19.217   8.301   0.809
  379    H    GLN  53           H        GLN  53  11.832   8.331   4.091
  380    HA   GLN  53           HA       GLN  53  12.198   6.780   5.650
  381    HB2  GLN  53           HB2      GLN  53   9.735   7.256   5.628
  382    HB3  GLN  53           HB3      GLN  53   9.511   5.660   4.877
  383    HG2  GLN  53           HG2      GLN  53   9.212   5.283   7.178
  384    HG3  GLN  53           HG3      GLN  53  10.893   4.792   6.954
  385   HE21  GLN  53          HE21      GLN  53   9.384   5.861   9.347
  386   HE22  GLN  53          HE22      GLN  53  10.265   7.296   9.835
  387    H    SER  54           H        SER  54  10.714   4.019   5.388
  388    HA   SER  54           HA       SER  54  12.437   2.660   3.427
  389    HB2  SER  54           HB2      SER  54  13.226   1.074   5.174
  390    HB3  SER  54           HB3      SER  54  13.791   2.732   5.466
  391    HG   SER  54           HG       SER  54  12.939   1.741   7.356
  392    H    GLY  55           H        GLY  55   9.507   3.257   3.841
  393    HA2  GLY  55           HA2      GLY  55   8.443   0.487   4.191
  394    HA3  GLY  55           HA3      GLY  55   7.582   1.968   4.626
  395    H    GLU  56           H        GLU  56   5.876   1.093   3.286
  396    HA   GLU  56           HA       GLU  56   6.255   1.600   0.375
  397    HB2  GLU  56           HB2      GLU  56   4.832  -0.756   1.661
  398    HB3  GLU  56           HB3      GLU  56   4.821  -0.374  -0.069
  399    HG2  GLU  56           HG2      GLU  56   7.314  -0.994   1.570
  400    HG3  GLU  56           HG3      GLU  56   6.472  -2.137   0.524
  401    H    ALA  57           H        ALA  57   3.192   0.505   0.486
  402    HA   ALA  57           HA       ALA  57   1.973   2.970   1.557
  403    HB1  ALA  57           HB1      ALA  57   2.072   2.268  -1.401
  404    HB2  ALA  57           HB2      ALA  57   1.051   3.541  -0.702
  405    HB3  ALA  57           HB3      ALA  57   2.822   3.672  -0.617
  406    H    PHE  58           H        PHE  58  -0.432   3.044   0.795
  407    HA   PHE  58           HA       PHE  58  -1.670   0.368   0.478
  408    HB2  PHE  58           HB2      PHE  58  -2.560   2.414   2.542
  409    HB3  PHE  58           HB3      PHE  58  -3.364   0.906   2.172
  410    HD1  PHE  58           HD1      PHE  58  -2.417  -1.268   2.934
  411    HD2  PHE  58           HD2      PHE  58  -0.629   2.503   3.957
  412    HE1  PHE  58           HE1      PHE  58  -1.220  -2.346   4.831
  413    HE2  PHE  58           HE2      PHE  58   0.523   1.447   5.864
  414    HZ   PHE  58           HZ       PHE  58   0.232  -0.991   6.314
  415    H    VAL  59           H        VAL  59  -4.080   0.670   0.047
  416    HA   VAL  59           HA       VAL  59  -4.854   3.298  -1.056
  417    HB   VAL  59           HB       VAL  59  -4.910   0.708  -2.670
  418   HG11  VAL  59          HG11      VAL  59  -6.872   2.134  -3.103
  419   HG12  VAL  59          HG12      VAL  59  -5.807   3.536  -3.365
  420   HG13  VAL  59          HG13      VAL  59  -5.768   2.156  -4.487
  421   HG21  VAL  59          HG21      VAL  59  -2.650   1.679  -2.656
  422   HG22  VAL  59          HG22      VAL  59  -3.415   1.911  -4.237
  423   HG23  VAL  59          HG23      VAL  59  -3.316   3.271  -3.095
  424    H    GLU  60           H        GLU  60  -6.785   3.686  -0.055
  425    HA   GLU  60           HA       GLU  60  -8.488   1.511   0.880
  426    HB2  GLU  60           HB2      GLU  60  -8.987   4.505   0.572
  427    HB3  GLU  60           HB3      GLU  60 -10.071   3.362   1.385
  428    HG2  GLU  60           HG2      GLU  60  -8.258   2.809   2.995
  429    HG3  GLU  60           HG3      GLU  60  -7.228   4.034   2.228
  430    H    LEU  61           H        LEU  61 -10.647   1.051   0.044
  431    HA   LEU  61           HA       LEU  61 -11.128   2.050  -2.721
  432    HB2  LEU  61           HB2      LEU  61 -11.723  -0.788  -1.912
  433    HB3  LEU  61           HB3      LEU  61 -11.685  -0.100  -3.523
  434    HG   LEU  61           HG       LEU  61  -9.156  -0.277  -1.833
  435   HD11  LEU  61          HD11      LEU  61  -8.651  -2.340  -3.040
  436   HD12  LEU  61          HD12      LEU  61 -10.148  -2.517  -2.091
  437   HD13  LEU  61          HD13      LEU  61 -10.232  -2.261  -3.851
  438   HD21  LEU  61          HD21      LEU  61  -8.068  -0.162  -4.044
  439   HD22  LEU  61          HD22      LEU  61  -9.656  -0.130  -4.844
  440   HD23  LEU  61          HD23      LEU  61  -9.140   1.240  -3.834
  441    H    GLY  62           H        GLY  62 -13.492   0.832  -3.287
  442    HA2  GLY  62           HA2      GLY  62 -15.244   2.207  -1.303
  443    HA3  GLY  62           HA3      GLY  62 -15.521   2.053  -3.043
  444    H    SER  63           H        SER  63 -14.697  -0.945  -2.881
  445    HA   SER  63           HA       SER  63 -16.815  -2.059  -1.192
  446    HB2  SER  63           HB2      SER  63 -17.892  -1.219  -3.402
  447    HB3  SER  63           HB3      SER  63 -17.018  -2.571  -4.165
  448    HG   SER  63           HG       SER  63 -19.148  -3.125  -3.461
  449    H    GLU  64           H        GLU  64 -17.011  -4.449  -1.556
  450    HA   GLU  64           HA       GLU  64 -14.545  -5.830  -1.404
  451    HB2  GLU  64           HB2      GLU  64 -16.691  -6.665  -0.515
  452    HB3  GLU  64           HB3      GLU  64 -17.371  -6.694  -2.145
  453    HG2  GLU  64           HG2      GLU  64 -15.745  -8.427  -2.809
  454    HG3  GLU  64           HG3      GLU  64 -15.002  -8.360  -1.196
  455    H    ASP  65           H        ASP  65 -16.578  -4.918  -4.189
  456    HA   ASP  65           HA       ASP  65 -15.386  -6.831  -5.971
  457    HB2  ASP  65           HB2      ASP  65 -17.608  -5.693  -6.283
  458    HB3  ASP  65           HB3      ASP  65 -16.751  -4.175  -6.599
  459    H    ASP  66           H        ASP  66 -14.467  -3.598  -4.822
  460    HA   ASP  66           HA       ASP  66 -12.565  -3.122  -6.978
  461    HB2  ASP  66           HB2      ASP  66 -12.973  -1.849  -4.244
  462    HB3  ASP  66           HB3      ASP  66 -11.871  -1.249  -5.488
  463    H    VAL  67           H        VAL  67 -12.447  -4.457  -3.626
  464    HA   VAL  67           HA       VAL  67  -9.560  -4.521  -3.603
  465    HB   VAL  67           HB       VAL  67 -10.486  -4.541  -1.485
  466   HG11  VAL  67          HG11      VAL  67 -12.313  -6.830  -2.198
  467   HG12  VAL  67          HG12      VAL  67 -12.171  -6.028  -0.616
  468   HG13  VAL  67          HG13      VAL  67 -12.773  -5.107  -2.001
  469   HG21  VAL  67          HG21      VAL  67  -8.679  -6.260  -1.751
  470   HG22  VAL  67          HG22      VAL  67  -9.819  -6.607  -0.428
  471   HG23  VAL  67          HG23      VAL  67  -9.949  -7.491  -1.963
  472    H    LYS  68           H        LYS  68 -12.100  -6.868  -4.593
  473    HA   LYS  68           HA       LYS  68 -10.295  -8.997  -5.143
  474    HB2  LYS  68           HB2      LYS  68 -12.977  -8.159  -6.307
  475    HB3  LYS  68           HB3      LYS  68 -12.138  -9.647  -6.788
  476    HG2  LYS  68           HG2      LYS  68 -12.135 -10.465  -4.492
  477    HG3  LYS  68           HG3      LYS  68 -12.854  -8.953  -3.912
  478    HD2  LYS  68           HD2      LYS  68 -14.869  -9.376  -5.302
  479    HD3  LYS  68           HD3      LYS  68 -14.145 -10.890  -5.890
  480    HE2  LYS  68           HE2      LYS  68 -14.056 -11.751  -3.574
  481    HE3  LYS  68           HE3      LYS  68 -14.759 -10.233  -2.981
  482    HZ1  LYS  68           HZ1      LYS  68 -16.417 -11.943  -3.237
  483    HZ2  LYS  68           HZ2      LYS  68 -16.721 -10.708  -4.272
  484    HZ3  LYS  68           HZ3      LYS  68 -16.069 -12.112  -4.836
  485    H    MET  69           H        MET  69 -11.468  -6.278  -7.215
  486    HA   MET  69           HA       MET  69 -10.045  -7.149  -9.542
  487    HB2  MET  69           HB2      MET  69 -11.288  -4.522  -8.675
  488    HB3  MET  69           HB3      MET  69 -10.412  -4.693 -10.206
  489    HG2  MET  69           HG2      MET  69 -11.880  -6.694 -10.719
  490    HG3  MET  69           HG3      MET  69 -12.863  -6.249  -9.327
  491    HE1  MET  69           HE1      MET  69 -12.536  -2.903  -9.734
  492    HE2  MET  69           HE2      MET  69 -14.136  -2.655 -10.459
  493    HE3  MET  69           HE3      MET  69 -13.950  -3.783  -9.096
  494    H    ALA  70           H        ALA  70  -9.050  -5.218  -6.727
  495    HA   ALA  70           HA       ALA  70  -6.693  -4.129  -7.990
  496    HB1  ALA  70           HB1      ALA  70  -7.358  -4.583  -5.056
  497    HB2  ALA  70           HB2      ALA  70  -6.075  -3.524  -5.693
  498    HB3  ALA  70           HB3      ALA  70  -7.781  -3.138  -6.004
  499    H    LEU  71           H        LEU  71  -7.464  -7.181  -6.356
  500    HA   LEU  71           HA       LEU  71  -4.685  -7.971  -6.013
  501    HB2  LEU  71           HB2      LEU  71  -7.323  -9.463  -5.775
  502    HB3  LEU  71           HB3      LEU  71  -5.741 -10.112  -5.287
  503    HG   LEU  71           HG       LEU  71  -6.898  -7.517  -4.188
  504   HD11  LEU  71          HD11      LEU  71  -7.469  -8.808  -2.175
  505   HD12  LEU  71          HD12      LEU  71  -8.360  -9.398  -3.596
  506   HD13  LEU  71          HD13      LEU  71  -6.950 -10.308  -2.987
  507   HD21  LEU  71          HD21      LEU  71  -4.621  -9.277  -3.255
  508   HD22  LEU  71          HD22      LEU  71  -4.489  -7.671  -4.020
  509   HD23  LEU  71          HD23      LEU  71  -5.251  -7.827  -2.424
  510    H    LYS  72           H        LYS  72  -6.951  -8.035  -8.630
  511    HA   LYS  72           HA       LYS  72  -5.958 -10.364  -9.994
  512    HB2  LYS  72           HB2      LYS  72  -7.200  -7.844 -11.146
  513    HB3  LYS  72           HB3      LYS  72  -7.006  -9.389 -11.989
  514    HG2  LYS  72           HG2      LYS  72  -8.746  -8.848  -9.565
  515    HG3  LYS  72           HG3      LYS  72  -9.296  -9.171 -11.213
  516    HD2  LYS  72           HD2      LYS  72  -8.341 -11.461 -11.081
  517    HD3  LYS  72           HD3      LYS  72  -7.757 -11.120  -9.438
  518    HE2  LYS  72           HE2      LYS  72  -9.817 -12.348  -9.254
  519    HE3  LYS  72           HE3      LYS  72 -10.085 -10.684  -8.705
  520    HZ1  LYS  72           HZ1      LYS  72 -10.790 -11.751 -11.364
  521    HZ2  LYS  72           HZ2      LYS  72 -11.848 -11.459 -10.139
  522    HZ3  LYS  72           HZ3      LYS  72 -11.056 -10.209 -10.858
  523    H    LYS  73           H        LYS  73  -4.314  -7.457  -9.329
  524    HA   LYS  73           HA       LYS  73  -2.390  -8.076 -11.488
  525    HB2  LYS  73           HB2      LYS  73  -2.098  -5.721 -12.001
  526    HB3  LYS  73           HB3      LYS  73  -3.789  -6.162 -12.258
  527    HG2  LYS  73           HG2      LYS  73  -2.951  -5.074  -9.562
  528    HG3  LYS  73           HG3      LYS  73  -3.010  -3.977 -10.936
  529    HD2  LYS  73           HD2      LYS  73  -5.351  -5.737 -10.115
  530    HD3  LYS  73           HD3      LYS  73  -5.109  -4.082  -9.547
  531    HE2  LYS  73           HE2      LYS  73  -5.070  -3.301 -11.930
  532    HE3  LYS  73           HE3      LYS  73  -5.423  -4.960 -12.448
  533    HZ1  LYS  73           HZ1      LYS  73  -7.420  -3.674 -12.325
  534    HZ2  LYS  73           HZ2      LYS  73  -7.463  -4.834 -11.155
  535    HZ3  LYS  73           HZ3      LYS  73  -7.146  -3.271 -10.755
  536    H    ASP  74           H        ASP  74  -2.553  -8.723  -8.712
  537    HA   ASP  74           HA       ASP  74  -1.270  -7.174  -6.885
  538    HB2  ASP  74           HB2      ASP  74  -0.912  -9.164  -5.655
  539    HB3  ASP  74           HB3      ASP  74  -2.417  -9.357  -6.559
  540    H    ARG  75           H        ARG  75   0.459  -8.328  -9.660
  541    HA   ARG  75           HA       ARG  75   2.844  -7.122  -8.537
  542    HB2  ARG  75           HB2      ARG  75   4.337  -9.040  -8.951
  543    HB3  ARG  75           HB3      ARG  75   3.238  -9.214  -7.591
  544    HG2  ARG  75           HG2      ARG  75   1.747 -10.641  -8.997
  545    HG3  ARG  75           HG3      ARG  75   2.947 -10.525 -10.319
  546    HD2  ARG  75           HD2      ARG  75   4.673 -11.365  -8.698
  547    HD3  ARG  75           HD3      ARG  75   3.380 -11.605  -7.510
  548    HE   ARG  75           HE       ARG  75   4.032 -13.279  -9.807
  549   HH11  ARG  75          HH11      ARG  75   1.370 -12.334  -7.646
  550   HH12  ARG  75          HH12      ARG  75   0.517 -13.836  -7.887
  551   HH21  ARG  75          HH21      ARG  75   2.863 -15.197 -10.104
  552   HH22  ARG  75          HH22      ARG  75   1.338 -15.433  -9.284
  553    H    GLU  76           H        GLU  76   0.986  -6.661 -10.795
  554    HA   GLU  76           HA       GLU  76   2.454  -7.238 -13.225
  555    HB2  GLU  76           HB2      GLU  76   0.298  -5.163 -12.740
  556    HB3  GLU  76           HB3      GLU  76   0.862  -5.777 -14.308
  557    HG2  GLU  76           HG2      GLU  76  -0.602  -7.258 -12.144
  558    HG3  GLU  76           HG3      GLU  76  -1.164  -6.914 -13.782
  559    H    SER  77           H        SER  77   2.192  -4.711 -14.473
  560    HA   SER  77           HA       SER  77   4.144  -2.929 -13.132
  561    HB2  SER  77           HB2      SER  77   5.568  -4.451 -14.371
  562    HB3  SER  77           HB3      SER  77   4.528  -4.330 -15.806
  563    HG   SER  77           HG       SER  77   6.415  -3.012 -15.916
  564    H    MET  78           H        MET  78   4.078  -0.783 -13.913
  565    HA   MET  78           HA       MET  78   1.651   0.056 -15.252
  566    HB2  MET  78           HB2      MET  78   4.248   1.498 -14.562
  567    HB3  MET  78           HB3      MET  78   2.821   2.296 -15.246
  568    HG2  MET  78           HG2      MET  78   1.470   1.598 -13.324
  569    HG3  MET  78           HG3      MET  78   2.863   0.757 -12.632
  570    HE1  MET  78           HE1      MET  78   2.281   3.781 -10.207
  571    HE2  MET  78           HE2      MET  78   1.005   2.982 -11.154
  572    HE3  MET  78           HE3      MET  78   2.289   2.009 -10.400
  573    H    GLY  79           H        GLY  79   4.617  -1.227 -16.348
  574    HA2  GLY  79           HA2      GLY  79   4.494  -1.704 -18.837
  575    HA3  GLY  79           HA3      GLY  79   4.341   0.057 -19.023
  576    H    HIS  80           H        HIS  80   6.290  -0.154 -16.397
  577    HA   HIS  80           HA       HIS  80   8.790  -0.727 -17.822
  578    HB2  HIS  80           HB2      HIS  80   8.128   1.609 -18.435
  579    HB3  HIS  80           HB3      HIS  80   8.183   2.043 -16.722
  580    HD1  HIS  80           HD1      HIS  80  10.390   3.390 -16.394
  581    HD2  HIS  80           HD2      HIS  80  10.745   0.078 -18.959
  582    HE1  HIS  80           HE1      HIS  80  12.847   3.256 -17.073
  583    H    ARG  81           H        ARG  81   6.989  -0.628 -14.869
  584    HA   ARG  81           HA       ARG  81   9.400  -1.540 -13.498
  585    HB2  ARG  81           HB2      ARG  81   9.441   0.945 -13.221
  586    HB3  ARG  81           HB3      ARG  81   7.854   0.862 -12.438
  587    HG2  ARG  81           HG2      ARG  81   9.656   1.010 -10.770
  588    HG3  ARG  81           HG3      ARG  81   8.810  -0.535 -10.629
  589    HD2  ARG  81           HD2      ARG  81  10.646  -1.573 -12.037
  590    HD3  ARG  81           HD3      ARG  81  11.495  -0.021 -11.974
  591    HE   ARG  81           HE       ARG  81  10.916  -0.764  -9.313
  592   HH11  ARG  81          HH11      ARG  81  12.798  -1.994 -12.045
  593   HH12  ARG  81          HH12      ARG  81  13.974  -2.790 -11.028
  594   HH21  ARG  81          HH21      ARG  81  12.480  -1.788  -8.014
  595   HH22  ARG  81          HH22      ARG  81  13.784  -2.695  -8.750
  596    H    TYR  82           H        TYR  82   9.069  -2.664 -11.643
  597    HA   TYR  82           HA       TYR  82   6.749  -4.291 -11.454
  598    HB2  TYR  82           HB2      TYR  82   9.085  -4.906 -11.073
  599    HB3  TYR  82           HB3      TYR  82   9.207  -3.749  -9.768
  600    HD1  TYR  82           HD1      TYR  82   6.175  -5.948  -9.654
  601    HD2  TYR  82           HD2      TYR  82  10.328  -5.445  -8.591
  602    HE1  TYR  82           HE1      TYR  82   5.987  -7.769  -7.972
  603    HE2  TYR  82           HE2      TYR  82  10.126  -7.227  -6.899
  604    HH   TYR  82           HH       TYR  82   7.043  -8.985  -6.349
  605    H    ILE  83           H        ILE  83   4.916  -3.956 -10.489
  606    HA   ILE  83           HA       ILE  83   4.777  -2.139  -8.138
  607    HB   ILE  83           HB       ILE  83   2.471  -2.727 -10.009
  608   HG12  ILE  83          HG12      ILE  83   4.186  -1.699 -11.427
  609   HG13  ILE  83          HG13      ILE  83   2.763  -0.683 -11.209
  610   HG21  ILE  83          HG21      ILE  83   3.037  -0.518  -7.990
  611   HG22  ILE  83          HG22      ILE  83   1.619  -0.564  -9.061
  612   HG23  ILE  83          HG23      ILE  83   1.846  -1.824  -7.840
  613   HD11  ILE  83          HD11      ILE  83   3.948   0.723  -9.603
  614   HD12  ILE  83          HD12      ILE  83   5.382  -0.328  -9.697
  615   HD13  ILE  83          HD13      ILE  83   4.870   0.612 -11.115
  616    H    GLU  84           H        GLU  84   3.002  -2.872  -6.601
  617    HA   GLU  84           HA       GLU  84   2.101  -5.650  -7.010
  618    HB2  GLU  84           HB2      GLU  84   4.126  -4.728  -4.986
  619    HB3  GLU  84           HB3      GLU  84   2.933  -5.965  -4.508
  620    HG2  GLU  84           HG2      GLU  84   3.600  -7.263  -6.577
  621    HG3  GLU  84           HG3      GLU  84   4.939  -6.120  -6.777
  622    H    VAL  85           H        VAL  85   0.555  -6.354  -5.457
  623    HA   VAL  85           HA       VAL  85  -0.737  -4.279  -3.792
  624    HB   VAL  85           HB       VAL  85  -2.387  -6.077  -5.599
  625   HG11  VAL  85          HG11      VAL  85  -3.487  -5.018  -3.666
  626   HG12  VAL  85          HG12      VAL  85  -2.948  -3.415  -4.234
  627   HG13  VAL  85          HG13      VAL  85  -4.100  -4.364  -5.196
  628   HG21  VAL  85          HG21      VAL  85  -1.418  -3.284  -6.272
  629   HG22  VAL  85          HG22      VAL  85  -1.043  -4.789  -7.161
  630   HG23  VAL  85          HG23      VAL  85  -2.702  -4.169  -7.138
  631    H    PHE  86           H        PHE  86  -1.837  -5.271  -2.003
  632    HA   PHE  86           HA       PHE  86  -1.982  -8.227  -1.926
  633    HB2  PHE  86           HB2      PHE  86   0.287  -7.517  -1.116
  634    HB3  PHE  86           HB3      PHE  86  -0.486  -6.621   0.177
  635    HD1  PHE  86           HD1      PHE  86  -1.799  -7.906   1.906
  636    HD2  PHE  86           HD2      PHE  86   0.760  -9.883  -0.929
  637    HE1  PHE  86           HE1      PHE  86  -1.734  -9.912   3.355
  638    HE2  PHE  86           HE2      PHE  86   0.820 -11.865   0.485
  639    HZ   PHE  86           HZ       PHE  86  -0.419 -11.910   2.649
  640    H    LYS  87           H        LYS  87  -3.475  -8.963  -0.234
  641    HA   LYS  87           HA       LYS  87  -5.641  -7.071  -0.056
  642    HB2  LYS  87           HB2      LYS  87  -5.783  -9.565  -0.446
  643    HB3  LYS  87           HB3      LYS  87  -5.462  -9.789   1.288
  644    HG2  LYS  87           HG2      LYS  87  -7.444  -8.409   1.811
  645    HG3  LYS  87           HG3      LYS  87  -7.692  -8.107   0.077
  646    HD2  LYS  87           HD2      LYS  87  -7.966 -10.583  -0.265
  647    HD3  LYS  87           HD3      LYS  87  -7.872 -10.797   1.499
  648    HE2  LYS  87           HE2      LYS  87  -9.833  -9.284   1.765
  649    HE3  LYS  87           HE3      LYS  87  -9.925  -9.103   0.006
  650    HZ1  LYS  87           HZ1      LYS  87 -10.322 -11.461  -0.160
  651    HZ2  LYS  87           HZ2      LYS  87 -10.229 -11.639   1.473
  652    HZ3  LYS  87           HZ3      LYS  87 -11.451 -10.763   0.808
  653    H    SER  88           H        SER  88  -6.627  -6.202   1.777
  654    HA   SER  88           HA       SER  88  -5.093  -6.294   4.315
  655    HB2  SER  88           HB2      SER  88  -4.193  -4.430   2.928
  656    HB3  SER  88           HB3      SER  88  -5.811  -3.703   2.901
  657    HG   SER  88           HG       SER  88  -4.417  -2.898   4.578
  658    H    HIS  89           H        HIS  89  -6.348  -4.549   5.830
  659    HA   HIS  89           HA       HIS  89  -9.262  -5.008   5.652
  660    HB2  HIS  89           HB2      HIS  89  -9.192  -6.001   7.991
  661    HB3  HIS  89           HB3      HIS  89  -8.525  -7.027   6.713
  662    HD1  HIS  89           HD1      HIS  89  -7.468  -5.312   9.914
  663    HD2  HIS  89           HD2      HIS  89  -5.796  -7.282   6.600
  664    HE1  HIS  89           HE1      HIS  89  -5.028  -5.818  10.509
  665    H    ARG  90           H        ARG  90  -6.864  -2.900   6.045
  666    HA   ARG  90           HA       ARG  90  -6.928  -0.708   6.518
  667    HB2  ARG  90           HB2      ARG  90  -9.429  -1.012   6.060
  668    HB3  ARG  90           HB3      ARG  90  -9.647  -0.990   7.822
  669    HG2  ARG  90           HG2      ARG  90  -8.557   1.227   7.936
  670    HG3  ARG  90           HG3      ARG  90  -8.249   1.169   6.187
  671    HD2  ARG  90           HD2      ARG  90 -10.724   0.993   5.812
  672    HD3  ARG  90           HD3      ARG  90 -10.970   1.225   7.552
  673    HE   ARG  90           HE       ARG  90  -9.916   3.218   5.595
  674   HH11  ARG  90          HH11      ARG  90 -11.025   2.530   8.891
  675   HH12  ARG  90          HH12      ARG  90 -11.135   4.221   9.313
  676   HH21  ARG  90          HH21      ARG  90 -10.050   5.354   6.165
  677   HH22  ARG  90          HH22      ARG  90 -10.587   5.835   7.764
  678    H    THR  91           H        THR  91  -7.654  -2.991   9.143
  679    HA   THR  91           HA       THR  91  -7.032  -1.133  11.258
  680    HB   THR  91           HB       THR  91  -6.722  -4.162  11.214
  681    HG1  THR  91           HG1      THR  91  -8.830  -4.088  12.107
  682   HG21  THR  91          HG21      THR  91  -5.606  -3.103  13.120
  683   HG22  THR  91          HG22      THR  91  -7.074  -2.159  13.481
  684   HG23  THR  91          HG23      THR  91  -7.082  -3.933  13.662
  685    H    GLU  92           H        GLU  92  -5.083  -3.427   9.287
  686    HA   GLU  92           HA       GLU  92  -2.575  -2.848  10.600
  687    HB2  GLU  92           HB2      GLU  92  -3.047  -4.834   9.109
  688    HB3  GLU  92           HB3      GLU  92  -3.120  -3.708   7.725
  689    HG2  GLU  92           HG2      GLU  92  -0.805  -2.981   8.211
  690    HG3  GLU  92           HG3      GLU  92  -0.732  -4.111   9.573
  691    H    MET  93           H        MET  93  -4.373  -1.412   7.860
  692    HA   MET  93           HA       MET  93  -2.306   0.261   6.920
  693    HB2  MET  93           HB2      MET  93  -4.420  -0.224   5.754
  694    HB3  MET  93           HB3      MET  93  -5.317   0.718   6.953
  695    HG2  MET  93           HG2      MET  93  -3.060   1.909   5.322
  696    HG3  MET  93           HG3      MET  93  -4.714   1.843   4.714
  697    HE1  MET  93           HE1      MET  93  -6.720   3.117   5.593
  698    HE2  MET  93           HE2      MET  93  -6.545   2.449   7.234
  699    HE3  MET  93           HE3      MET  93  -6.715   4.204   7.002
  700    H    ASP  94           H        ASP  94  -4.825   0.850   9.435
  701    HA   ASP  94           HA       ASP  94  -3.960   3.507  10.058
  702    HB2  ASP  94           HB2      ASP  94  -6.185   2.429  10.547
  703    HB3  ASP  94           HB3      ASP  94  -5.387   1.491  11.808
  704    H    TRP  95           H        TRP  95  -2.957   0.306  11.101
  705    HA   TRP  95           HA       TRP  95  -1.704   1.078  13.566
  706    HB2  TRP  95           HB2      TRP  95  -2.507  -1.193  13.050
  707    HB3  TRP  95           HB3      TRP  95  -1.301  -1.343  11.782
  708    HD1  TRP  95           HD1      TRP  95  -1.719  -1.557  15.537
  709    HE1  TRP  95           HE1      TRP  95   0.406  -2.466  16.616
  710    HE3  TRP  95           HE3      TRP  95   1.336  -1.479  11.452
  711    HZ2  TRP  95           HZ2      TRP  95   3.138  -3.035  15.813
  712    HZ3  TRP  95           HZ3      TRP  95   3.701  -2.157  11.636
  713    HH2  TRP  95           HH2      TRP  95   4.617  -2.948  13.808
  714    H    VAL  96           H        VAL  96  -0.640   1.338  10.240
  715    HA   VAL  96           HA       VAL  96   2.137   1.826  11.244
  716    HB   VAL  96           HB       VAL  96   2.014  -0.250   9.959
  717   HG11  VAL  96          HG11      VAL  96   1.555  -0.100   7.524
  718   HG12  VAL  96          HG12      VAL  96   0.133   0.079   8.575
  719   HG13  VAL  96          HG13      VAL  96   0.860   1.520   7.814
  720   HG21  VAL  96          HG21      VAL  96   4.047   1.192   9.835
  721   HG22  VAL  96          HG22      VAL  96   3.779   0.218   8.371
  722   HG23  VAL  96          HG23      VAL  96   3.374   1.945   8.369
  723    H    LEU  97           H        LEU  97  -0.592   3.122   9.431
  724    HA   LEU  97           HA       LEU  97   0.850   5.273   8.187
  725    HB2  LEU  97           HB2      LEU  97  -1.934   4.462   8.683
  726    HB3  LEU  97           HB3      LEU  97  -1.725   6.203   8.832
  727    HG   LEU  97           HG       LEU  97  -2.396   5.558   6.577
  728   HD11  LEU  97          HD11      LEU  97  -0.700   6.812   5.343
  729   HD12  LEU  97          HD12      LEU  97  -1.003   7.570   6.920
  730   HD13  LEU  97          HD13      LEU  97   0.464   6.597   6.666
  731   HD21  LEU  97          HD21      LEU  97  -1.357   3.337   6.444
  732   HD22  LEU  97          HD22      LEU  97  -0.873   4.359   5.085
  733   HD23  LEU  97          HD23      LEU  97   0.262   4.083   6.424
  734    H    LYS  98           H        LYS  98   0.533   4.520  11.433
  735    HA   LYS  98           HA       LYS  98   0.909   7.342  12.287
  736    HB2  LYS  98           HB2      LYS  98  -0.830   5.213  13.578
  737    HB3  LYS  98           HB3      LYS  98  -0.448   6.802  14.272
  738    HG2  LYS  98           HG2      LYS  98  -1.451   7.908  12.275
  739    HG3  LYS  98           HG3      LYS  98  -1.890   6.307  11.629
  740    HD2  LYS  98           HD2      LYS  98  -3.225   5.861  13.660
  741    HD3  LYS  98           HD3      LYS  98  -2.811   7.483  14.274
  742    HE2  LYS  98           HE2      LYS  98  -3.926   8.533  12.370
  743    HE3  LYS  98           HE3      LYS  98  -4.210   6.950  11.618
  744    HZ1  LYS  98           HZ1      LYS  98  -5.358   7.824  14.184
  745    HZ2  LYS  98           HZ2      LYS  98  -6.158   7.775  12.747
  746    HZ3  LYS  98           HZ3      LYS  98  -5.630   6.380  13.436
  747    H    HIS  99           H        HIS  99   2.525   4.640  11.807
  748    HA   HIS  99           HA       HIS  99   4.204   4.927  14.202
  749    HB2  HIS  99           HB2      HIS  99   2.432   3.206  14.708
  750    HB3  HIS  99           HB3      HIS  99   3.041   2.250  13.354
  751    HD1  HIS  99           HD1      HIS  99   4.218   0.254  14.539
  752    HD2  HIS  99           HD2      HIS  99   5.120   4.020  16.173
  753    HE1  HIS  99           HE1      HIS  99   6.011  -0.131  16.314
  754    H    SER 100           H        SER 100   4.231   5.358  11.161
  755    HA   SER 100           HA       SER 100   5.906   3.431   9.938
  756    HB2  SER 100           HB2      SER 100   6.228   5.176   8.231
  757    HB3  SER 100           HB3      SER 100   4.527   5.106   8.750
  758    HG   SER 100           HG       SER 100   5.316   7.251   8.681
  759    H    GLY 101           H        GLY 101   6.638   5.574  12.409
  760    HA2  GLY 101           HA2      GLY 101   9.383   4.806  12.502
  761    HA3  GLY 101           HA3      GLY 101   9.256   6.456  11.867
  762    HA   PRO 102           HA       PRO 102   9.118   6.448  16.583
  763    HB2  PRO 102           HB2      PRO 102  11.453   7.793  17.058
  764    HB3  PRO 102           HB3      PRO 102  11.383   6.016  16.818
  765    HG2  PRO 102           HG2      PRO 102  12.057   8.148  14.770
  766    HG3  PRO 102           HG3      PRO 102  12.946   6.626  15.120
  767    HD2  PRO 102           HD2      PRO 102  11.158   6.819  13.067
  768    HD3  PRO 102           HD3      PRO 102  11.312   5.318  14.032
  769    H5'    A   1           H5'        A   1  18.663   0.419   3.577
  770   H5''    A   1          H5''        A   1  16.978   0.969   3.496
  771    H4'    A   1           H4'        A   1  17.903  -1.602   2.163
  772    H3'    A   1           H3'        A   1  19.048   0.727   1.433
  773    H2'    A   1           H2'        A   1  16.902   1.918   1.801
  774   HO2'    A   1          HO2'        A   1  16.492   2.717  -0.301
  775    H1'    A   1           H1'        A   1  15.881  -0.177  -0.137
  776    H8     A   1           H8         A   1  13.400  -0.830   1.519
  777    H61    A   1           H61        A   1  10.331   4.511   0.690
  778    H62    A   1           H62        A   1  10.155   2.823   1.133
  779    H2     A   1           H2         A   1  14.608   5.193  -0.258
  780   HO5'    A   1          HO5'        A   1  16.369  -1.033   4.448
  781    H5'    G   2           H5'        G   2  17.638  -4.667  -0.101
  782   H5''    G   2          H5''        G   2  18.106  -3.768  -1.549
  783    H4'    G   2           H4'        G   2  16.059  -2.677   0.427
  784    H3'    G   2           H3'        G   2  15.582  -4.570  -1.903
  785    H2'    G   2           H2'        G   2  13.472  -3.525  -2.120
  786   HO2'    G   2          HO2'        G   2  13.023  -3.713   0.208
  787    H1'    G   2           H1'        G   2  14.438  -1.040  -1.085
  788    H8     G   2           H8         G   2  16.397  -1.573  -4.078
  789    H1     G   2           H1         G   2  10.393   0.108  -5.511
  790    H21    G   2           H21        G   2   9.122   0.000  -3.691
  791    H22    G   2           H22        G   2   9.729  -0.580  -2.159
  792    H5'    G   3           H5'        G   3  12.298  -6.275  -0.299
  793   H5''    G   3          H5''        G   3  12.670  -8.006  -0.184
  794    H4'    G   3           H4'        G   3  10.870  -7.910  -1.700
  795    H3'    G   3           H3'        G   3  13.505  -8.470  -2.880
  796    H2'    G   3           H2'        G   3  13.197  -6.956  -4.572
  797   HO2'    G   3          HO2'        G   3  12.684  -8.965  -5.629
  798    H1'    G   3           H1'        G   3  10.199  -7.088  -4.108
  799    H8     G   3           H8         G   3  13.217  -4.896  -5.150
  800    H1     G   3           H1         G   3   7.480  -2.907  -7.244
  801    H21    G   3           H21        G   3   5.878  -3.998  -6.154
  802    H22    G   3           H22        G   3   6.257  -5.286  -5.027
  803    H5'    G   4           H5'        G   4  12.145  -9.796   0.700
  804   H5''    G   4          H5''        G   4  11.481 -11.440   0.682
  805    H4'    G   4           H4'        G   4  10.388 -10.110   2.412
  806    H3'    G   4           H3'        G   4   9.024 -11.694   0.653
  807    H2'    G   4           H2'        G   4   8.585  -9.935  -0.930
  808   HO2'    G   4          HO2'        G   4   6.548 -10.880  -0.215
  809    H1'    G   4           H1'        G   4   7.824  -8.214   1.413
  810    H8     G   4           H8         G   4   7.313  -8.339  -1.961
  811    H1     G   4           H1         G   4   9.980  -2.633  -0.695
  812    H21    G   4           H21        G   4  10.972  -2.691   1.292
  813    H22    G   4           H22        G   4  10.967  -4.129   2.289
  814    H5'    A   5           H5'        A   5   5.212 -11.276   1.988
  815   H5''    A   5          H5''        A   5   4.879 -12.602   3.115
  816    H4'    A   5           H4'        A   5   3.292 -12.807   1.351
  817    H3'    A   5           H3'        A   5   4.922 -14.927   1.945
  818    H2'    A   5           H2'        A   5   6.609 -14.413   0.353
  819   HO2'    A   5          HO2'        A   5   5.878 -16.538  -0.125
  820    H1'    A   5           H1'        A   5   4.515 -13.840  -1.736
  821    H8     A   5           H8         A   5   8.006 -13.116  -0.337
  822    H61    A   5           H61        A   5   9.201 -10.514  -5.824
  823    H62    A   5           H62        A   5   9.908 -11.116  -4.334
  824    H2     A   5           H2         A   5   4.830 -11.241  -5.593
  825    H5'    U   6           H5'        U   6  -0.836 -14.076  -0.007
  826   H5''    U   6          H5''        U   6  -0.069 -15.659  -0.105
  827    H4'    U   6           H4'        U   6   0.040 -14.995  -2.310
  828    H3'    U   6           H3'        U   6   2.539 -13.745  -1.140
  829   HO3'    U   6          HO3'        U   6   2.701 -15.966  -1.033
  830    H2'    U   6           H2'        U   6   3.100 -13.233  -3.394
  831   HO2'    U   6          HO2'        U   6   2.388 -15.311  -4.261
  832    H1'    U   6           H1'        U   6   0.513 -12.565  -4.074
  833    H3     U   6           H3         U   6   0.897  -8.147  -3.488
  834    H5     U   6           H5         U   6   4.351  -9.755  -1.712
  835    H6     U   6           H6         U   6   3.412 -11.936  -2.001
  Start of MODEL   10
    1    H    MET   1           H        MET   1  -7.580  -9.731  12.614
    2    HA   MET   1           HA       MET   1  -8.623 -11.273  14.102
    3    HB2  MET   1           HB2      MET   1 -11.167 -10.530  12.609
    4    HB3  MET   1           HB3      MET   1 -10.993 -11.835  13.794
    5    HG2  MET   1           HG2      MET   1 -10.595  -8.864  14.325
    6    HG3  MET   1           HG3      MET   1 -11.976  -9.843  14.824
    7    HE1  MET   1           HE1      MET   1 -10.268  -8.991  18.217
    8    HE2  MET   1           HE2      MET   1 -10.378  -7.954  16.774
    9    HE3  MET   1           HE3      MET   1 -11.769  -8.954  17.261
   10    H    MET   2           H        MET   2  -9.586 -10.779  10.637
   11    HA   MET   2           HA       MET   2  -8.196 -13.308  10.001
   12    HB2  MET   2           HB2      MET   2 -10.526 -13.929  10.582
   13    HB3  MET   2           HB3      MET   2 -11.131 -12.798   9.358
   14    HG2  MET   2           HG2      MET   2  -9.959 -14.065   7.598
   15    HG3  MET   2           HG3      MET   2  -9.320 -15.183   8.810
   16    HE1  MET   2           HE1      MET   2 -10.728 -16.930  10.125
   17    HE2  MET   2           HE2      MET   2 -11.819 -15.668  10.748
   18    HE3  MET   2           HE3      MET   2 -12.490 -17.126   9.983
   19    H    LEU   3           H        LEU   3  -7.596 -13.494   7.832
   20    HA   LEU   3           HA       LEU   3  -8.408 -11.510   5.851
   21    HB2  LEU   3           HB2      LEU   3  -6.598 -10.369   7.188
   22    HB3  LEU   3           HB3      LEU   3  -5.517 -11.720   6.816
   23    HG   LEU   3           HG       LEU   3  -5.769 -11.185   4.370
   24   HD11  LEU   3          HD11      LEU   3  -7.273  -8.771   5.474
   25   HD12  LEU   3          HD12      LEU   3  -6.695  -8.935   3.804
   26   HD13  LEU   3          HD13      LEU   3  -7.943 -10.036   4.419
   27   HD21  LEU   3          HD21      LEU   3  -4.818  -8.920   6.167
   28   HD22  LEU   3          HD22      LEU   3  -3.867 -10.333   5.666
   29   HD23  LEU   3          HD23      LEU   3  -4.380  -9.138   4.455
   30    H    GLY   4           H        GLY   4  -8.006 -12.307   3.732
   31    HA2  GLY   4           HA2      GLY   4  -6.103 -14.134   2.914
   32    HA3  GLY   4           HA3      GLY   4  -7.426 -15.137   3.524
   33    HA   PRO   5           HA       PRO   5  -8.348 -13.928  -0.900
   34    HB2  PRO   5           HB2      PRO   5  -8.185 -16.383  -2.066
   35    HB3  PRO   5           HB3      PRO   5  -6.724 -15.393  -1.733
   36    HG2  PRO   5           HG2      PRO   5  -7.883 -17.623  -0.030
   37    HG3  PRO   5           HG3      PRO   5  -6.185 -17.433  -0.589
   38    HD2  PRO   5           HD2      PRO   5  -7.005 -16.601   1.882
   39    HD3  PRO   5           HD3      PRO   5  -5.786 -15.683   0.945
   40    H    GLU   6           H        GLU   6  -9.739 -15.411   1.699
   41    HA   GLU   6           HA       GLU   6 -12.308 -15.778   0.291
   42    HB2  GLU   6           HB2      GLU   6 -11.002 -17.971   0.495
   43    HB3  GLU   6           HB3      GLU   6 -11.247 -17.853   2.243
   44    HG2  GLU   6           HG2      GLU   6 -13.699 -17.891   1.898
   45    HG3  GLU   6           HG3      GLU   6 -13.460 -17.872   0.143
   46    H    GLY   7           H        GLY   7 -10.760 -14.025   2.484
   47    HA2  GLY   7           HA2      GLY   7 -13.163 -13.423   3.985
   48    HA3  GLY   7           HA3      GLY   7 -11.935 -14.227   4.975
   49    H    GLY   8           H        GLY   8 -12.705 -11.687   5.663
   50    HA2  GLY   8           HA2      GLY   8 -10.350 -10.215   5.869
   51    HA3  GLY   8           HA3      GLY   8 -11.160  -9.607   4.415
   52    H    GLU   9           H        GLU   9 -11.027  -7.648   6.026
   53    HA   GLU   9           HA       GLU   9 -13.672  -7.457   7.350
   54    HB2  GLU   9           HB2      GLU   9 -11.011  -6.759   8.648
   55    HB3  GLU   9           HB3      GLU   9 -12.603  -6.343   9.303
   56    HG2  GLU   9           HG2      GLU   9 -13.182  -8.729   9.475
   57    HG3  GLU   9           HG3      GLU   9 -11.614  -9.175   8.772
   58    H    GLY  10           H        GLY  10 -11.914  -6.329   4.923
   59    HA2  GLY  10           HA2      GLY  10 -13.241  -3.765   4.944
   60    HA3  GLY  10           HA3      GLY  10 -11.501  -3.603   5.182
   61    H    PHE  11           H        PHE  11 -12.980  -2.593   2.980
   62    HA   PHE  11           HA       PHE  11 -12.115  -4.224   0.671
   63    HB2  PHE  11           HB2      PHE  11 -13.676  -1.623   0.731
   64    HB3  PHE  11           HB3      PHE  11 -13.480  -2.717  -0.638
   65    HD1  PHE  11           HD1      PHE  11 -13.887  -5.344   0.887
   66    HD2  PHE  11           HD2      PHE  11 -16.050  -1.626   0.917
   67    HE1  PHE  11           HE1      PHE  11 -15.935  -6.543   1.577
   68    HE2  PHE  11           HE2      PHE  11 -18.098  -2.825   1.625
   69    HZ   PHE  11           HZ       PHE  11 -18.047  -5.285   1.958
   70    H    VAL  12           H        VAL  12  -9.929  -3.630   1.850
   71    HA   VAL  12           HA       VAL  12  -8.840  -1.174   0.538
   72    HB   VAL  12           HB       VAL  12  -8.261  -2.235   3.339
   73   HG11  VAL  12          HG11      VAL  12  -6.245  -1.230   2.362
   74   HG12  VAL  12          HG12      VAL  12  -7.175   0.217   1.897
   75   HG13  VAL  12          HG13      VAL  12  -6.923  -0.179   3.612
   76   HG21  VAL  12          HG21      VAL  12  -9.191  -0.018   4.041
   77   HG22  VAL  12          HG22      VAL  12  -9.731   0.245   2.370
   78   HG23  VAL  12          HG23      VAL  12 -10.401  -1.102   3.318
   79    H    VAL  13           H        VAL  13  -6.640  -1.330  -0.083
   80    HA   VAL  13           HA       VAL  13  -5.383  -4.008   0.247
   81    HB   VAL  13           HB       VAL  13  -4.574  -3.913  -2.088
   82   HG11  VAL  13          HG11      VAL  13  -6.635  -4.716  -3.100
   83   HG12  VAL  13          HG12      VAL  13  -6.538  -5.272  -1.417
   84   HG13  VAL  13          HG13      VAL  13  -7.604  -3.912  -1.845
   85   HG21  VAL  13          HG21      VAL  13  -6.625  -1.689  -2.435
   86   HG22  VAL  13          HG22      VAL  13  -4.856  -1.505  -2.539
   87   HG23  VAL  13          HG23      VAL  13  -5.720  -2.494  -3.733
   88    H    LYS  14           H        LYS  14  -3.149  -4.069   0.109
   89    HA   LYS  14           HA       LYS  14  -1.770  -1.590   0.870
   90    HB2  LYS  14           HB2      LYS  14  -0.493  -4.286   0.332
   91    HB3  LYS  14           HB3      LYS  14   0.047  -3.000   1.424
   92    HG2  LYS  14           HG2      LYS  14  -2.038  -3.467   2.818
   93    HG3  LYS  14           HG3      LYS  14  -2.325  -4.876   1.777
   94    HD2  LYS  14           HD2      LYS  14   0.006  -5.680   2.339
   95    HD3  LYS  14           HD3      LYS  14   0.115  -4.363   3.527
   96    HE2  LYS  14           HE2      LYS  14  -1.931  -5.284   4.657
   97    HE3  LYS  14           HE3      LYS  14  -1.944  -6.605   3.483
   98    HZ1  LYS  14           HZ1      LYS  14   0.274  -7.204   4.268
   99    HZ2  LYS  14           HZ2      LYS  14   0.188  -6.017   5.413
  100    HZ3  LYS  14           HZ3      LYS  14  -0.855  -7.283   5.471
  101    H    LEU  15           H        LEU  15   0.198  -0.898  -0.286
  102    HA   LEU  15           HA       LEU  15   0.479  -1.862  -3.067
  103    HB2  LEU  15           HB2      LEU  15  -1.050   0.265  -2.599
  104    HB3  LEU  15           HB3      LEU  15   0.497   1.076  -2.396
  105    HG   LEU  15           HG       LEU  15  -0.257   1.431  -4.589
  106   HD11  LEU  15          HD11      LEU  15   1.786  -0.795  -4.874
  107   HD12  LEU  15          HD12      LEU  15   1.485   0.535  -6.002
  108   HD13  LEU  15          HD13      LEU  15   2.182   0.878  -4.402
  109   HD21  LEU  15          HD21      LEU  15  -1.883  -0.412  -4.721
  110   HD22  LEU  15          HD22      LEU  15  -0.843  -0.376  -6.167
  111   HD23  LEU  15          HD23      LEU  15  -0.555  -1.580  -4.890
  112    H    ARG  16           H        ARG  16   2.629  -2.051  -3.569
  113    HA   ARG  16           HA       ARG  16   4.656  -0.541  -2.019
  114    HB2  ARG  16           HB2      ARG  16   4.569  -3.582  -2.181
  115    HB3  ARG  16           HB3      ARG  16   5.917  -2.617  -1.543
  116    HG2  ARG  16           HG2      ARG  16   4.385  -1.665   0.192
  117    HG3  ARG  16           HG3      ARG  16   3.086  -2.711  -0.426
  118    HD2  ARG  16           HD2      ARG  16   4.062  -3.808   1.474
  119    HD3  ARG  16           HD3      ARG  16   4.534  -4.699   0.012
  120    HE   ARG  16           HE       ARG  16   6.473  -2.681   0.854
  121   HH11  ARG  16          HH11      ARG  16   5.402  -6.019   1.286
  122   HH12  ARG  16          HH12      ARG  16   6.975  -6.578   1.809
  123   HH21  ARG  16          HH21      ARG  16   8.466  -3.395   1.569
  124   HH22  ARG  16          HH22      ARG  16   8.729  -5.080   1.975
  125    H    GLY  17           H        GLY  17   6.916  -1.144  -2.908
  126    HA2  GLY  17           HA2      GLY  17   8.188  -1.868  -4.827
  127    HA3  GLY  17           HA3      GLY  17   6.739  -1.645  -5.840
  128    H    LEU  18           H        LEU  18   7.201  -0.034  -7.241
  129    HA   LEU  18           HA       LEU  18   7.353   2.122  -7.935
  130    HB2  LEU  18           HB2      LEU  18   7.404   3.078  -5.066
  131    HB3  LEU  18           HB3      LEU  18   6.727   3.876  -6.491
  132    HG   LEU  18           HG       LEU  18   5.608   1.414  -5.090
  133   HD11  LEU  18          HD11      LEU  18   5.220   3.639  -4.010
  134   HD12  LEU  18          HD12      LEU  18   4.395   4.154  -5.505
  135   HD13  LEU  18          HD13      LEU  18   3.739   2.815  -4.548
  136   HD21  LEU  18          HD21      LEU  18   4.653   2.848  -7.602
  137   HD22  LEU  18          HD22      LEU  18   5.247   1.171  -7.496
  138   HD23  LEU  18          HD23      LEU  18   3.727   1.621  -6.705
  139    HA   PRO  19           HA       PRO  19  11.573   2.847  -8.116
  140    HB2  PRO  19           HB2      PRO  19  11.980   5.469  -8.687
  141    HB3  PRO  19           HB3      PRO  19  11.032   4.395  -9.769
  142    HG2  PRO  19           HG2      PRO  19   9.991   6.313  -7.668
  143    HG3  PRO  19           HG3      PRO  19   9.449   6.137  -9.370
  144    HD2  PRO  19           HD2      PRO  19   8.189   4.925  -7.252
  145    HD3  PRO  19           HD3      PRO  19   8.256   4.167  -8.869
  146    H    TRP  20           H        TRP  20  10.028   4.726  -5.641
  147    HA   TRP  20           HA       TRP  20  11.737   4.353  -3.529
  148    HB2  TRP  20           HB2      TRP  20  12.610   6.614  -5.318
  149    HB3  TRP  20           HB3      TRP  20  12.536   6.938  -3.606
  150    HD1  TRP  20           HD1      TRP  20  15.089   7.533  -4.424
  151    HE1  TRP  20           HE1      TRP  20  17.230   6.209  -4.064
  152    HE3  TRP  20           HE3      TRP  20  13.061   2.872  -3.603
  153    HZ2  TRP  20           HZ2      TRP  20  17.978   3.476  -3.432
  154    HZ3  TRP  20           HZ3      TRP  20  14.554   1.016  -2.953
  155    HH2  TRP  20           HH2      TRP  20  16.991   1.284  -3.014
  156    H    SER  21           H        SER  21   9.674   6.514  -5.391
  157    HA   SER  21           HA       SER  21   7.962   7.093  -3.090
  158    HB2  SER  21           HB2      SER  21   8.114   9.538  -3.427
  159    HB3  SER  21           HB3      SER  21   9.677   8.862  -2.926
  160    HG   SER  21           HG       SER  21   9.866  10.305  -4.698
  161    H    CYS  22           H        CYS  22   6.031   8.507  -3.934
  162    HA   CYS  22           HA       CYS  22   5.523   8.299  -6.800
  163    HB2  CYS  22           HB2      CYS  22   5.277   5.960  -5.785
  164    HB3  CYS  22           HB3      CYS  22   3.843   6.579  -4.942
  165    HG   CYS  22           HG       CYS  22   4.536   6.586  -8.182
  166    H    SER  23           H        SER  23   2.889   8.536  -7.009
  167    HA   SER  23           HA       SER  23   1.911  10.566  -5.079
  168    HB2  SER  23           HB2      SER  23   2.009  10.920  -8.101
  169    HB3  SER  23           HB3      SER  23   1.239  12.028  -6.948
  170    HG   SER  23           HG       SER  23   3.296  12.338  -5.997
  171    H    VAL  24           H        VAL  24  -0.469  11.044  -5.515
  172    HA   VAL  24           HA       VAL  24  -1.748   8.510  -5.341
  173    HB   VAL  24           HB       VAL  24  -3.396   9.616  -4.357
  174   HG11  VAL  24          HG11      VAL  24  -1.671  12.089  -4.753
  175   HG12  VAL  24          HG12      VAL  24  -2.910  11.845  -3.510
  176   HG13  VAL  24          HG13      VAL  24  -1.436  10.856  -3.484
  177   HG21  VAL  24          HG21      VAL  24  -3.411  11.690  -6.558
  178   HG22  VAL  24          HG22      VAL  24  -4.511  10.291  -6.379
  179   HG23  VAL  24          HG23      VAL  24  -4.550  11.598  -5.188
  180    H    GLU  25           H        GLU  25  -1.191  10.552  -8.126
  181    HA   GLU  25           HA       GLU  25  -3.549   9.532  -9.545
  182    HB2  GLU  25           HB2      GLU  25  -1.175  11.209 -10.461
  183    HB3  GLU  25           HB3      GLU  25  -2.622  10.836 -11.421
  184    HG2  GLU  25           HG2      GLU  25  -4.031  11.944  -9.679
  185    HG3  GLU  25           HG3      GLU  25  -2.563  12.373  -8.786
  186    H    ASP  26           H        ASP  26  -0.108   8.718  -9.239
  187    HA   ASP  26           HA       ASP  26  -0.111   7.067 -11.654
  188    HB2  ASP  26           HB2      ASP  26   1.811   7.309  -9.310
  189    HB3  ASP  26           HB3      ASP  26   2.111   6.350 -10.771
  190    H    VAL  27           H        VAL  27  -0.564   6.598  -8.125
  191    HA   VAL  27           HA       VAL  27  -0.522   3.737  -8.278
  192    HB   VAL  27           HB       VAL  27  -0.132   4.972  -6.210
  193   HG11  VAL  27          HG11      VAL  27  -1.734   6.802  -6.526
  194   HG12  VAL  27          HG12      VAL  27  -3.089   5.678  -6.247
  195   HG13  VAL  27          HG13      VAL  27  -1.925   6.014  -4.950
  196   HG21  VAL  27          HG21      VAL  27  -0.979   2.635  -6.160
  197   HG22  VAL  27          HG22      VAL  27  -1.456   3.584  -4.728
  198   HG23  VAL  27          HG23      VAL  27  -2.637   3.263  -6.020
  199    H    GLN  28           H        GLN  28  -3.275   6.140  -8.437
  200    HA   GLN  28           HA       GLN  28  -5.154   3.961  -8.733
  201    HB2  GLN  28           HB2      GLN  28  -6.796   5.676  -9.210
  202    HB3  GLN  28           HB3      GLN  28  -5.819   6.122  -7.802
  203    HG2  GLN  28           HG2      GLN  28  -4.448   7.585  -9.262
  204    HG3  GLN  28           HG3      GLN  28  -5.487   7.197 -10.639
  205   HE21  GLN  28          HE21      GLN  28  -5.468   8.624  -7.347
  206   HE22  GLN  28          HE22      GLN  28  -6.879   9.635  -7.584
  207    H    ASN  29           H        ASN  29  -2.993   5.591 -10.944
  208    HA   ASN  29           HA       ASN  29  -4.422   4.895 -13.360
  209    HB2  ASN  29           HB2      ASN  29  -2.836   6.360 -14.028
  210    HB3  ASN  29           HB3      ASN  29  -1.892   6.113 -12.557
  211   HD21  ASN  29          HD21      ASN  29  -0.342   4.425 -12.429
  212   HD22  ASN  29          HD22      ASN  29   0.363   3.743 -13.875
  213    H    PHE  30           H        PHE  30  -2.320   3.156 -11.108
  214    HA   PHE  30           HA       PHE  30  -1.656   1.059 -13.025
  215    HB2  PHE  30           HB2      PHE  30  -0.052   1.596 -11.357
  216    HB3  PHE  30           HB3      PHE  30  -1.233   1.490 -10.062
  217    HD1  PHE  30           HD1      PHE  30   0.670  -0.533 -12.558
  218    HD2  PHE  30           HD2      PHE  30  -1.709  -0.566  -8.979
  219    HE1  PHE  30           HE1      PHE  30   1.207  -2.927 -12.216
  220    HE2  PHE  30           HE2      PHE  30  -1.246  -2.968  -8.679
  221    HZ   PHE  30           HZ       PHE  30   0.245  -4.156 -10.283
  222    H    LEU  31           H        LEU  31  -4.012   1.440 -10.301
  223    HA   LEU  31           HA       LEU  31  -5.019  -1.273 -10.724
  224    HB2  LEU  31           HB2      LEU  31  -6.067   1.093  -9.100
  225    HB3  LEU  31           HB3      LEU  31  -6.824  -0.493  -9.169
  226    HG   LEU  31           HG       LEU  31  -5.670  -0.597  -7.189
  227   HD11  LEU  31          HD11      LEU  31  -3.844  -2.180  -7.459
  228   HD12  LEU  31          HD12      LEU  31  -5.173  -2.557  -8.576
  229   HD13  LEU  31          HD13      LEU  31  -3.696  -1.767  -9.178
  230   HD21  LEU  31          HD21      LEU  31  -3.272   0.667  -8.528
  231   HD22  LEU  31          HD22      LEU  31  -4.426   1.478  -7.450
  232   HD23  LEU  31          HD23      LEU  31  -3.392   0.173  -6.825
  233    H    SER  32           H        SER  32  -7.506  -1.337 -10.987
  234    HA   SER  32           HA       SER  32  -8.578   0.592 -12.925
  235    HB2  SER  32           HB2      SER  32  -7.183  -0.975 -14.294
  236    HB3  SER  32           HB3      SER  32  -8.169  -2.326 -13.696
  237    HG   SER  32           HG       SER  32  -8.907  -1.507 -15.711
  238    H    ASP  33           H        ASP  33 -10.833   0.145 -13.426
  239    HA   ASP  33           HA       ASP  33 -12.938   0.003 -12.651
  240    HB2  ASP  33           HB2      ASP  33 -12.055  -2.804 -11.919
  241    HB3  ASP  33           HB3      ASP  33 -13.732  -2.256 -12.083
  242    H    CYS  34           H        CYS  34 -10.560   0.418 -10.516
  243    HA   CYS  34           HA       CYS  34 -11.928  -0.076  -8.002
  244    HB2  CYS  34           HB2      CYS  34  -9.948   1.215  -7.134
  245    HB3  CYS  34           HB3      CYS  34  -9.506  -0.175  -8.146
  246    HG   CYS  34           HG       CYS  34  -9.832   2.987  -9.073
  247    H    THR  35           H        THR  35 -11.874   2.023  -6.467
  248    HA   THR  35           HA       THR  35 -12.947   4.345  -7.922
  249    HB   THR  35           HB       THR  35 -14.763   2.633  -7.195
  250    HG1  THR  35           HG1      THR  35 -14.905   5.362  -6.400
  251   HG21  THR  35          HG21      THR  35 -13.820   2.367  -4.915
  252   HG22  THR  35          HG22      THR  35 -14.325   4.037  -4.553
  253   HG23  THR  35          HG23      THR  35 -15.548   2.806  -4.945
  254    H    ILE  36           H        ILE  36 -10.753   3.324  -5.961
  255    HA   ILE  36           HA       ILE  36  -9.544   3.988  -4.193
  256    HB   ILE  36           HB       ILE  36  -9.949   6.812  -4.978
  257   HG12  ILE  36          HG12      ILE  36 -10.111   5.853  -7.170
  258   HG13  ILE  36          HG13      ILE  36  -8.560   6.666  -6.958
  259   HG21  ILE  36          HG21      ILE  36  -7.550   5.015  -4.493
  260   HG22  ILE  36          HG22      ILE  36  -7.471   6.780  -4.760
  261   HG23  ILE  36          HG23      ILE  36  -8.275   6.115  -3.316
  262   HD11  ILE  36          HD11      ILE  36  -9.006   3.667  -6.760
  263   HD12  ILE  36          HD12      ILE  36  -8.328   4.536  -8.151
  264   HD13  ILE  36          HD13      ILE  36  -7.437   4.516  -6.616
  265    H    HIS  37           H        HIS  37 -12.453   3.926  -3.621
  266    HA   HIS  37           HA       HIS  37 -13.912   4.368  -1.961
  267    HB2  HIS  37           HB2      HIS  37 -11.914   3.766  -0.644
  268    HB3  HIS  37           HB3      HIS  37 -11.557   5.485  -0.461
  269    HD1  HIS  37           HD1      HIS  37 -13.937   2.787   0.800
  270    HD2  HIS  37           HD2      HIS  37 -13.242   6.912   1.115
  271    HE1  HIS  37           HE1      HIS  37 -15.325   3.604   2.788
  272    H    ASP  38           H        ASP  38 -11.857   7.213  -2.681
  273    HA   ASP  38           HA       ASP  38 -14.303   8.792  -3.078
  274    HB2  ASP  38           HB2      ASP  38 -12.142   9.520  -1.050
  275    HB3  ASP  38           HB3      ASP  38 -13.214  10.711  -1.790
  276    H    GLY  39           H        GLY  39 -11.256   7.807  -4.139
  277    HA2  GLY  39           HA2      GLY  39 -10.286   8.662  -6.158
  278    HA3  GLY  39           HA3      GLY  39 -10.919  10.271  -5.769
  279    H    ALA  40           H        ALA  40  -9.054  11.454  -5.643
  280    HA   ALA  40           HA       ALA  40  -6.637  10.694  -4.398
  281    HB1  ALA  40           HB1      ALA  40  -6.179  13.130  -4.410
  282    HB2  ALA  40           HB2      ALA  40  -6.885  12.589  -5.950
  283    HB3  ALA  40           HB3      ALA  40  -7.894  13.444  -4.760
  284    H    ALA  41           H        ALA  41  -9.575  10.890  -2.882
  285    HA   ALA  41           HA       ALA  41  -8.486  11.919  -0.322
  286    HB1  ALA  41           HB1      ALA  41 -11.326  11.523  -1.304
  287    HB2  ALA  41           HB2      ALA  41 -10.882  12.101   0.318
  288    HB3  ALA  41           HB3      ALA  41 -10.471  13.069  -1.119
  289    H    GLY  42           H        GLY  42  -8.232   9.127  -1.710
  290    HA2  GLY  42           HA2      GLY  42  -8.849   7.615   0.784
  291    HA3  GLY  42           HA3      GLY  42  -9.278   6.958  -0.803
  292    H    VAL  43           H        VAL  43  -6.468   8.738  -1.241
  293    HA   VAL  43           HA       VAL  43  -4.795   6.376  -1.394
  294    HB   VAL  43           HB       VAL  43  -4.697   8.514  -2.868
  295   HG11  VAL  43          HG11      VAL  43  -4.671  10.120  -0.957
  296   HG12  VAL  43          HG12      VAL  43  -3.062   9.511  -0.496
  297   HG13  VAL  43          HG13      VAL  43  -3.290  10.319  -2.051
  298   HG21  VAL  43          HG21      VAL  43  -3.032   6.691  -2.933
  299   HG22  VAL  43          HG22      VAL  43  -2.275   8.275  -3.172
  300   HG23  VAL  43          HG23      VAL  43  -2.130   7.466  -1.607
  301    H    HIS  44           H        HIS  44  -2.802   6.064  -0.170
  302    HA   HIS  44           HA       HIS  44  -2.330   7.730   2.212
  303    HB2  HIS  44           HB2      HIS  44  -2.945   4.756   2.305
  304    HB3  HIS  44           HB3      HIS  44  -2.087   5.619   3.586
  305    HD1  HIS  44           HD1      HIS  44  -3.581   7.598   4.867
  306    HD2  HIS  44           HD2      HIS  44  -5.577   4.867   2.375
  307    HE1  HIS  44           HE1      HIS  44  -6.058   7.750   5.461
  308    H    PHE  45           H        PHE  45  -0.180   7.157   3.193
  309    HA   PHE  45           HA       PHE  45   1.626   5.613   1.443
  310    HB2  PHE  45           HB2      PHE  45   1.891   8.581   2.025
  311    HB3  PHE  45           HB3      PHE  45   3.214   7.572   1.436
  312    HD1  PHE  45           HD1      PHE  45   2.884   6.259  -0.739
  313    HD2  PHE  45           HD2      PHE  45   0.365   9.534   0.454
  314    HE1  PHE  45           HE1      PHE  45   2.077   6.485  -3.073
  315    HE2  PHE  45           HE2      PHE  45  -0.437   9.762  -1.880
  316    HZ   PHE  45           HZ       PHE  45   0.396   8.212  -3.642
  317    H    ILE  46           H        ILE  46   3.960   5.787   2.467
  318    HA   ILE  46           HA       ILE  46   3.687   5.564   5.423
  319    HB   ILE  46           HB       ILE  46   5.032   3.476   3.700
  320   HG12  ILE  46          HG12      ILE  46   2.228   3.483   4.905
  321   HG13  ILE  46          HG13      ILE  46   2.632   3.508   3.178
  322   HG21  ILE  46          HG21      ILE  46   4.121   3.492   6.618
  323   HG22  ILE  46          HG22      ILE  46   4.959   2.162   5.794
  324   HG23  ILE  46          HG23      ILE  46   5.801   3.694   6.066
  325   HD11  ILE  46          HD11      ILE  46   3.108   1.260   5.137
  326   HD12  ILE  46          HD12      ILE  46   2.074   1.271   3.683
  327   HD13  ILE  46          HD13      ILE  46   3.842   1.319   3.513
  328    H    TYR  47           H        TYR  47   5.550   6.051   6.553
  329    HA   TYR  47           HA       TYR  47   8.150   6.469   5.318
  330    HB2  TYR  47           HB2      TYR  47   8.225   8.886   5.813
  331    HB3  TYR  47           HB3      TYR  47   7.105   8.469   4.522
  332    HD1  TYR  47           HD1      TYR  47   4.660   8.568   4.866
  333    HD2  TYR  47           HD2      TYR  47   7.421   9.819   7.916
  334    HE1  TYR  47           HE1      TYR  47   2.821   9.762   6.028
  335    HE2  TYR  47           HE2      TYR  47   5.591  11.002   9.096
  336    HH   TYR  47           HH       TYR  47   3.365  11.556   9.091
  337    H    THR  48           H        THR  48   9.536   7.734   7.141
  338    HA   THR  48           HA       THR  48   8.495   7.279   9.859
  339    HB   THR  48           HB       THR  48   9.369   5.112   9.592
  340    HG1  THR  48           HG1      THR  48  10.253   6.102  11.398
  341   HG21  THR  48          HG21      THR  48  11.624   4.641   8.615
  342   HG22  THR  48          HG22      THR  48  10.418   5.220   7.452
  343   HG23  THR  48          HG23      THR  48  11.672   6.325   8.041
  344    H    ARG  49           H        ARG  49  11.003   8.443   7.657
  345    HA   ARG  49           HA       ARG  49  11.640  10.743   9.233
  346    HB2  ARG  49           HB2      ARG  49  14.069   9.969   9.669
  347    HB3  ARG  49           HB3      ARG  49  12.805   9.407  10.755
  348    HG2  ARG  49           HG2      ARG  49  14.323   7.593  10.257
  349    HG3  ARG  49           HG3      ARG  49  12.717   7.225   9.615
  350    HD2  ARG  49           HD2      ARG  49  13.454   7.837   7.355
  351    HD3  ARG  49           HD3      ARG  49  15.030   8.358   7.974
  352    HE   ARG  49           HE       ARG  49  14.080   5.601   7.571
  353   HH11  ARG  49          HH11      ARG  49  16.547   7.698   9.004
  354   HH12  ARG  49          HH12      ARG  49  17.722   6.412   9.134
  355   HH21  ARG  49          HH21      ARG  49  15.636   3.953   7.757
  356   HH22  ARG  49          HH22      ARG  49  17.210   4.304   8.431
  357    H    GLU  50           H        GLU  50  13.992  11.517   8.318
  358    HA   GLU  50           HA       GLU  50  13.629  11.903   5.508
  359    HB2  GLU  50           HB2      GLU  50  14.611  13.518   7.170
  360    HB3  GLU  50           HB3      GLU  50  16.068  12.511   7.214
  361    HG2  GLU  50           HG2      GLU  50  16.347  14.371   5.651
  362    HG3  GLU  50           HG3      GLU  50  16.343  12.844   4.760
  363    H    GLY  51           H        GLY  51  13.541   9.363   5.266
  364    HA2  GLY  51           HA2      GLY  51  16.174   8.565   4.160
  365    HA3  GLY  51           HA3      GLY  51  15.406   7.500   5.355
  366    H    ARG  52           H        ARG  52  12.611   8.118   4.376
  367    HA   ARG  52           HA       ARG  52  12.621   7.522   1.523
  368    HB2  ARG  52           HB2      ARG  52  11.363   5.442   1.702
  369    HB3  ARG  52           HB3      ARG  52  12.948   5.265   2.472
  370    HG2  ARG  52           HG2      ARG  52  11.905   5.597   4.698
  371    HG3  ARG  52           HG3      ARG  52  10.317   5.796   3.915
  372    HD2  ARG  52           HD2      ARG  52  10.585   3.531   2.899
  373    HD3  ARG  52           HD3      ARG  52  12.076   3.315   3.834
  374    HE   ARG  52           HE       ARG  52  10.514   3.777   5.871
  375   HH11  ARG  52          HH11      ARG  52   9.586   2.047   2.936
  376   HH12  ARG  52          HH12      ARG  52   8.335   1.116   3.730
  377   HH21  ARG  52          HH21      ARG  52   8.874   2.536   6.896
  378   HH22  ARG  52          HH22      ARG  52   7.951   1.389   5.955
  379    H    GLN  53           H        GLN  53  10.438   7.650   0.623
  380    HA   GLN  53           HA       GLN  53   8.285   8.521   2.405
  381    HB2  GLN  53           HB2      GLN  53   9.746  10.569   1.967
  382    HB3  GLN  53           HB3      GLN  53   9.351  10.400   0.247
  383    HG2  GLN  53           HG2      GLN  53   7.861  12.041   1.294
  384    HG3  GLN  53           HG3      GLN  53   6.927  10.617   0.812
  385   HE21  GLN  53          HE21      GLN  53   5.421  10.086   2.339
  386   HE22  GLN  53          HE22      GLN  53   5.697  10.132   4.070
  387    H    SER  54           H        SER  54   6.345   8.034   1.526
  388    HA   SER  54           HA       SER  54   4.885   6.941   0.207
  389    HB2  SER  54           HB2      SER  54   4.352   8.145  -1.869
  390    HB3  SER  54           HB3      SER  54   4.646   9.235  -0.502
  391    HG   SER  54           HG       SER  54   5.708   9.960  -2.356
  392    H    GLY  55           H        GLY  55   7.613   5.663   0.107
  393    HA2  GLY  55           HA2      GLY  55   7.731   4.540  -2.596
  394    HA3  GLY  55           HA3      GLY  55   8.736   4.107  -1.190
  395    H    GLU  56           H        GLU  56   5.950   4.056   0.272
  396    HA   GLU  56           HA       GLU  56   4.783   1.566  -0.806
  397    HB2  GLU  56           HB2      GLU  56   5.615   1.945   2.105
  398    HB3  GLU  56           HB3      GLU  56   4.731   0.556   1.427
  399    HG2  GLU  56           HG2      GLU  56   6.676   0.173  -0.129
  400    HG3  GLU  56           HG3      GLU  56   7.549   1.446   0.728
  401    H    ALA  57           H        ALA  57   2.592   1.229   0.164
  402    HA   ALA  57           HA       ALA  57   1.280   3.603   1.247
  403    HB1  ALA  57           HB1      ALA  57   0.001   3.987  -0.932
  404    HB2  ALA  57           HB2      ALA  57   1.725   4.414  -0.996
  405    HB3  ALA  57           HB3      ALA  57   1.160   2.901  -1.717
  406    H    PHE  58           H        PHE  58  -1.149   3.454   0.781
  407    HA   PHE  58           HA       PHE  58  -2.173   0.689   0.448
  408    HB2  PHE  58           HB2      PHE  58  -3.118   2.630   2.591
  409    HB3  PHE  58           HB3      PHE  58  -3.775   1.031   2.266
  410    HD1  PHE  58           HD1      PHE  58  -2.488  -1.009   2.879
  411    HD2  PHE  58           HD2      PHE  58  -1.116   2.947   3.853
  412    HE1  PHE  58           HE1      PHE  58  -0.870  -1.968   4.507
  413    HE2  PHE  58           HE2      PHE  58   0.457   2.004   5.507
  414    HZ   PHE  58           HZ       PHE  58   0.647  -0.469   5.767
  415    H    VAL  59           H        VAL  59  -4.501   0.740  -0.131
  416    HA   VAL  59           HA       VAL  59  -5.463   3.337  -1.186
  417    HB   VAL  59           HB       VAL  59  -5.237   0.788  -2.848
  418   HG11  VAL  59          HG11      VAL  59  -7.258   2.112  -3.351
  419   HG12  VAL  59          HG12      VAL  59  -6.260   3.575  -3.517
  420   HG13  VAL  59          HG13      VAL  59  -6.084   2.237  -4.675
  421   HG21  VAL  59          HG21      VAL  59  -3.047   1.897  -2.653
  422   HG22  VAL  59          HG22      VAL  59  -3.719   2.130  -4.276
  423   HG23  VAL  59          HG23      VAL  59  -3.785   3.457  -3.092
  424    H    GLU  60           H        GLU  60  -7.335   3.524  -0.047
  425    HA   GLU  60           HA       GLU  60  -8.972   1.205   0.586
  426    HB2  GLU  60           HB2      GLU  60  -9.610   4.188   0.631
  427    HB3  GLU  60           HB3      GLU  60 -10.633   2.899   1.290
  428    HG2  GLU  60           HG2      GLU  60  -8.663   2.233   2.759
  429    HG3  GLU  60           HG3      GLU  60  -7.874   3.740   2.251
  430    H    LEU  61           H        LEU  61 -11.066   0.749  -0.301
  431    HA   LEU  61           HA       LEU  61 -11.590   1.965  -2.976
  432    HB2  LEU  61           HB2      LEU  61 -12.022  -0.959  -2.325
  433    HB3  LEU  61           HB3      LEU  61 -12.087  -0.189  -3.905
  434    HG   LEU  61           HG       LEU  61  -9.498  -0.251  -2.296
  435   HD11  LEU  61          HD11      LEU  61  -8.850  -2.219  -3.530
  436   HD12  LEU  61          HD12      LEU  61 -10.361  -2.555  -2.646
  437   HD13  LEU  61          HD13      LEU  61 -10.399  -2.226  -4.399
  438   HD21  LEU  61          HD21      LEU  61  -9.678   1.353  -4.212
  439   HD22  LEU  61          HD22      LEU  61  -8.505   0.058  -4.532
  440   HD23  LEU  61          HD23      LEU  61 -10.120  -0.009  -5.274
  441    H    GLY  62           H        GLY  62 -13.954   0.759  -3.632
  442    HA2  GLY  62           HA2      GLY  62 -15.693   1.848  -1.484
  443    HA3  GLY  62           HA3      GLY  62 -16.062   1.706  -3.208
  444    H    SER  63           H        SER  63 -15.035  -1.194  -3.250
  445    HA   SER  63           HA       SER  63 -17.122  -2.487  -1.585
  446    HB2  SER  63           HB2      SER  63 -17.053  -2.686  -4.621
  447    HB3  SER  63           HB3      SER  63 -18.117  -3.611  -3.541
  448    HG   SER  63           HG       SER  63 -18.998  -1.607  -2.848
  449    H    GLU  64           H        GLU  64 -17.079  -4.864  -1.747
  450    HA   GLU  64           HA       GLU  64 -14.484  -5.975  -1.467
  451    HB2  GLU  64           HB2      GLU  64 -16.514  -6.961  -0.485
  452    HB3  GLU  64           HB3      GLU  64 -17.193  -7.241  -2.089
  453    HG2  GLU  64           HG2      GLU  64 -15.385  -8.818  -2.621
  454    HG3  GLU  64           HG3      GLU  64 -14.615  -8.483  -1.049
  455    H    ASP  65           H        ASP  65 -16.582  -5.552  -4.328
  456    HA   ASP  65           HA       ASP  65 -15.160  -7.452  -5.930
  457    HB2  ASP  65           HB2      ASP  65 -17.455  -6.530  -6.380
  458    HB3  ASP  65           HB3      ASP  65 -16.717  -4.978  -6.800
  459    H    ASP  66           H        ASP  66 -14.555  -4.074  -5.012
  460    HA   ASP  66           HA       ASP  66 -12.668  -3.527  -7.137
  461    HB2  ASP  66           HB2      ASP  66 -13.040  -2.241  -4.404
  462    HB3  ASP  66           HB3      ASP  66 -12.124  -1.570  -5.753
  463    H    VAL  67           H        VAL  67 -12.428  -4.648  -3.710
  464    HA   VAL  67           HA       VAL  67  -9.548  -4.535  -3.688
  465    HB   VAL  67           HB       VAL  67 -10.487  -4.491  -1.575
  466   HG11  VAL  67          HG11      VAL  67 -12.733  -5.240  -2.095
  467   HG12  VAL  67          HG12      VAL  67 -12.153  -6.936  -2.162
  468   HG13  VAL  67          HG13      VAL  67 -12.098  -6.020  -0.639
  469   HG21  VAL  67          HG21      VAL  67  -9.796  -7.435  -1.863
  470   HG22  VAL  67          HG22      VAL  67  -8.589  -6.132  -1.721
  471   HG23  VAL  67          HG23      VAL  67  -9.725  -6.449  -0.390
  472    H    LYS  68           H        LYS  68 -11.917  -7.126  -4.475
  473    HA   LYS  68           HA       LYS  68  -9.971  -9.164  -4.842
  474    HB2  LYS  68           HB2      LYS  68 -12.714  -8.634  -6.048
  475    HB3  LYS  68           HB3      LYS  68 -11.804 -10.135  -6.319
  476    HG2  LYS  68           HG2      LYS  68 -11.797 -10.666  -3.968
  477    HG3  LYS  68           HG3      LYS  68 -12.404  -9.065  -3.535
  478    HD2  LYS  68           HD2      LYS  68 -14.197 -10.721  -3.380
  479    HD3  LYS  68           HD3      LYS  68 -14.536  -9.513  -4.631
  480    HE2  LYS  68           HE2      LYS  68 -15.149 -11.707  -5.430
  481    HE3  LYS  68           HE3      LYS  68 -13.775 -11.102  -6.369
  482    HZ1  LYS  68           HZ1      LYS  68 -13.623 -13.018  -4.131
  483    HZ2  LYS  68           HZ2      LYS  68 -13.483 -13.396  -5.725
  484    HZ3  LYS  68           HZ3      LYS  68 -12.336 -12.467  -4.999
  485    H    MET  69           H        MET  69 -11.298  -6.691  -7.103
  486    HA   MET  69           HA       MET  69  -9.859  -7.645  -9.390
  487    HB2  MET  69           HB2      MET  69 -11.214  -5.036  -8.652
  488    HB3  MET  69           HB3      MET  69 -10.333  -5.229 -10.175
  489    HG2  MET  69           HG2      MET  69 -11.700  -7.271 -10.658
  490    HG3  MET  69           HG3      MET  69 -12.675  -6.923  -9.234
  491    HE1  MET  69           HE1      MET  69 -12.775  -3.647  -9.422
  492    HE2  MET  69           HE2      MET  69 -14.338  -3.473 -10.250
  493    HE3  MET  69           HE3      MET  69 -14.146  -4.686  -8.968
  494    H    ALA  70           H        ALA  70  -8.940  -5.466  -6.717
  495    HA   ALA  70           HA       ALA  70  -6.649  -4.365  -8.087
  496    HB1  ALA  70           HB1      ALA  70  -7.750  -3.235  -6.209
  497    HB2  ALA  70           HB2      ALA  70  -7.330  -4.586  -5.135
  498    HB3  ALA  70           HB3      ALA  70  -6.044  -3.569  -5.829
  499    H    LEU  71           H        LEU  71  -7.245  -7.300  -6.196
  500    HA   LEU  71           HA       LEU  71  -4.442  -7.909  -5.772
  501    HB2  LEU  71           HB2      LEU  71  -6.984  -9.557  -5.527
  502    HB3  LEU  71           HB3      LEU  71  -5.384 -10.072  -4.956
  503    HG   LEU  71           HG       LEU  71  -6.743  -7.504  -4.041
  504   HD11  LEU  71          HD11      LEU  71  -6.621 -10.199  -2.648
  505   HD12  LEU  71          HD12      LEU  71  -7.305  -8.691  -1.981
  506   HD13  LEU  71          HD13      LEU  71  -8.074  -9.470  -3.379
  507   HD21  LEU  71          HD21      LEU  71  -5.134  -7.600  -2.223
  508   HD22  LEU  71          HD22      LEU  71  -4.387  -9.054  -2.940
  509   HD23  LEU  71          HD23      LEU  71  -4.324  -7.491  -3.800
  510    H    LYS  72           H        LYS  72  -6.655  -8.305  -8.419
  511    HA   LYS  72           HA       LYS  72  -5.494 -10.629  -9.619
  512    HB2  LYS  72           HB2      LYS  72  -6.864  -8.262 -10.934
  513    HB3  LYS  72           HB3      LYS  72  -6.561  -9.833 -11.690
  514    HG2  LYS  72           HG2      LYS  72  -8.322  -9.328  -9.270
  515    HG3  LYS  72           HG3      LYS  72  -8.884  -9.678 -10.909
  516    HD2  LYS  72           HD2      LYS  72  -7.877 -11.911 -10.822
  517    HD3  LYS  72           HD3      LYS  72  -7.198 -11.575  -9.208
  518    HE2  LYS  72           HE2      LYS  72  -9.432 -11.262  -8.285
  519    HE3  LYS  72           HE3      LYS  72 -10.159 -11.544  -9.882
  520    HZ1  LYS  72           HZ1      LYS  72  -8.566 -13.498  -8.357
  521    HZ2  LYS  72           HZ2      LYS  72 -10.202 -13.521  -8.534
  522    HZ3  LYS  72           HZ3      LYS  72  -9.230 -13.756  -9.839
  523    H    LYS  73           H        LYS  73  -3.965  -7.642  -9.112
  524    HA   LYS  73           HA       LYS  73  -2.013  -8.285 -11.241
  525    HB2  LYS  73           HB2      LYS  73  -1.788  -5.912 -11.808
  526    HB3  LYS  73           HB3      LYS  73  -3.419  -6.488 -12.154
  527    HG2  LYS  73           HG2      LYS  73  -2.812  -5.206  -9.481
  528    HG3  LYS  73           HG3      LYS  73  -2.919  -4.199 -10.927
  529    HD2  LYS  73           HD2      LYS  73  -5.113  -6.107 -10.032
  530    HD3  LYS  73           HD3      LYS  73  -5.065  -4.389  -9.652
  531    HE2  LYS  73           HE2      LYS  73  -5.020  -3.860 -12.093
  532    HE3  LYS  73           HE3      LYS  73  -5.114  -5.591 -12.455
  533    HZ1  LYS  73           HZ1      LYS  73  -7.268  -4.609 -12.563
  534    HZ2  LYS  73           HZ2      LYS  73  -7.222  -5.636 -11.276
  535    HZ3  LYS  73           HZ3      LYS  73  -7.150  -4.017 -11.031
  536    H    ASP  74           H        ASP  74  -2.166  -8.804  -8.445
  537    HA   ASP  74           HA       ASP  74  -0.840  -7.238  -6.668
  538    HB2  ASP  74           HB2      ASP  74  -0.299  -9.278  -5.502
  539    HB3  ASP  74           HB3      ASP  74  -1.900  -9.412  -6.246
  540    H    ARG  75           H        ARG  75   0.808  -8.336  -9.531
  541    HA   ARG  75           HA       ARG  75   3.272  -7.245  -8.371
  542    HB2  ARG  75           HB2      ARG  75   3.075  -9.777  -7.976
  543    HB3  ARG  75           HB3      ARG  75   3.353  -9.946  -9.725
  544    HG2  ARG  75           HG2      ARG  75   5.535  -8.769  -9.461
  545    HG3  ARG  75           HG3      ARG  75   5.163  -8.507  -7.738
  546    HD2  ARG  75           HD2      ARG  75   6.546 -10.455  -7.834
  547    HD3  ARG  75           HD3      ARG  75   4.873 -10.989  -7.512
  548    HE   ARG  75           HE       ARG  75   5.370 -11.001 -10.328
  549   HH11  ARG  75          HH11      ARG  75   6.220 -12.773  -7.393
  550   HH12  ARG  75          HH12      ARG  75   6.466 -14.286  -8.231
  551   HH21  ARG  75          HH21      ARG  75   5.694 -12.988 -11.402
  552   HH22  ARG  75          HH22      ARG  75   6.172 -14.406 -10.498
  553    H    GLU  76           H        GLU  76   1.232  -6.623 -10.634
  554    HA   GLU  76           HA       GLU  76   2.677  -6.984 -13.103
  555    HB2  GLU  76           HB2      GLU  76   0.451  -5.045 -12.401
  556    HB3  GLU  76           HB3      GLU  76   1.074  -5.360 -14.031
  557    HG2  GLU  76           HG2      GLU  76  -0.288  -7.300 -12.180
  558    HG3  GLU  76           HG3      GLU  76  -0.894  -6.685 -13.722
  559    H    SER  77           H        SER  77   2.558  -4.524 -14.313
  560    HA   SER  77           HA       SER  77   4.708  -2.956 -12.972
  561    HB2  SER  77           HB2      SER  77   4.839  -4.243 -15.727
  562    HB3  SER  77           HB3      SER  77   6.037  -3.101 -15.082
  563    HG   SER  77           HG       SER  77   6.631  -5.301 -14.780
  564    H    MET  78           H        MET  78   5.353  -1.044 -14.444
  565    HA   MET  78           HA       MET  78   2.871   0.159 -15.592
  566    HB2  MET  78           HB2      MET  78   5.287   1.384 -14.222
  567    HB3  MET  78           HB3      MET  78   4.127   2.332 -15.167
  568    HG2  MET  78           HG2      MET  78   2.292   1.587 -13.707
  569    HG3  MET  78           HG3      MET  78   3.439   0.660 -12.726
  570    HE1  MET  78           HE1      MET  78   2.277   2.029 -10.646
  571    HE2  MET  78           HE2      MET  78   2.345   3.802 -10.483
  572    HE3  MET  78           HE3      MET  78   1.332   3.070 -11.738
  573    H    GLY  79           H        GLY  79   6.046  -1.003 -16.388
  574    HA2  GLY  79           HA2      GLY  79   5.932  -1.186 -18.997
  575    HA3  GLY  79           HA3      GLY  79   6.055   0.577 -18.899
  576    H    HIS  80           H        HIS  80   7.880   0.253 -16.431
  577    HA   HIS  80           HA       HIS  80  10.285  -0.941 -17.632
  578    HB2  HIS  80           HB2      HIS  80  10.093   1.399 -18.526
  579    HB3  HIS  80           HB3      HIS  80  10.147   2.003 -16.866
  580    HD1  HIS  80           HD1      HIS  80  12.542   3.000 -16.589
  581    HD2  HIS  80           HD2      HIS  80  12.410  -0.647 -18.672
  582    HE1  HIS  80           HE1      HIS  80  14.963   2.352 -17.072
  583    H    ARG  81           H        ARG  81   8.315  -0.628 -15.079
  584    HA   ARG  81           HA       ARG  81  10.322  -1.420 -13.096
  585    HB2  ARG  81           HB2      ARG  81  10.190   1.139 -13.093
  586    HB3  ARG  81           HB3      ARG  81   8.488   0.958 -12.633
  587    HG2  ARG  81           HG2      ARG  81   9.285  -0.390 -10.619
  588    HG3  ARG  81           HG3      ARG  81  10.949   0.023 -11.084
  589    HD2  ARG  81           HD2      ARG  81  10.127   1.566  -9.384
  590    HD3  ARG  81           HD3      ARG  81  10.353   2.434 -10.912
  591    HE   ARG  81           HE       ARG  81   7.735   1.524  -9.775
  592   HH11  ARG  81          HH11      ARG  81   9.556   3.658 -11.937
  593   HH12  ARG  81          HH12      ARG  81   8.164   4.633 -12.335
  594   HH21  ARG  81          HH21      ARG  81   5.935   2.828 -10.322
  595   HH22  ARG  81          HH22      ARG  81   6.132   4.165 -11.426
  596    H    TYR  82           H        TYR  82   9.089  -2.211 -11.070
  597    HA   TYR  82           HA       TYR  82   6.376  -3.024 -11.937
  598    HB2  TYR  82           HB2      TYR  82   6.633  -5.156 -11.555
  599    HB3  TYR  82           HB3      TYR  82   8.246  -4.759 -12.099
  600    HD1  TYR  82           HD1      TYR  82  10.140  -4.605 -10.272
  601    HD2  TYR  82           HD2      TYR  82   6.160  -6.102  -9.500
  602    HE1  TYR  82           HE1      TYR  82  10.990  -5.925  -8.385
  603    HE2  TYR  82           HE2      TYR  82   7.008  -7.338  -7.535
  604    HH   TYR  82           HH       TYR  82   8.848  -7.900  -6.294
  605    H    ILE  83           H        ILE  83   5.001  -3.942 -10.229
  606    HA   ILE  83           HA       ILE  83   5.015  -2.040  -7.947
  607    HB   ILE  83           HB       ILE  83   2.585  -2.689  -9.636
  608   HG12  ILE  83          HG12      ILE  83   4.195  -1.621 -11.157
  609   HG13  ILE  83          HG13      ILE  83   2.784  -0.617 -10.845
  610   HG21  ILE  83          HG21      ILE  83   1.762  -0.533  -8.651
  611   HG22  ILE  83          HG22      ILE  83   2.061  -1.792  -7.447
  612   HG23  ILE  83          HG23      ILE  83   3.236  -0.473  -7.655
  613   HD11  ILE  83          HD11      ILE  83   5.438  -0.231  -9.409
  614   HD12  ILE  83          HD12      ILE  83   4.969   0.626 -10.886
  615   HD13  ILE  83          HD13      ILE  83   4.026   0.849  -9.396
  616    H    GLU  84           H        GLU  84   3.280  -2.773  -6.306
  617    HA   GLU  84           HA       GLU  84   2.732  -5.678  -6.446
  618    HB2  GLU  84           HB2      GLU  84   4.665  -4.284  -4.647
  619    HB3  GLU  84           HB3      GLU  84   3.566  -5.462  -3.875
  620    HG2  GLU  84           HG2      GLU  84   4.243  -7.149  -5.592
  621    HG3  GLU  84           HG3      GLU  84   5.402  -5.970  -6.243
  622    H    VAL  85           H        VAL  85   1.015  -6.357  -5.164
  623    HA   VAL  85           HA       VAL  85  -0.461  -4.296  -3.628
  624    HB   VAL  85           HB       VAL  85  -1.960  -6.122  -5.512
  625   HG11  VAL  85          HG11      VAL  85  -3.214  -4.950  -3.746
  626   HG12  VAL  85          HG12      VAL  85  -2.583  -3.393  -4.330
  627   HG13  VAL  85          HG13      VAL  85  -3.665  -4.362  -5.354
  628   HG21  VAL  85          HG21      VAL  85  -2.113  -4.297  -7.157
  629   HG22  VAL  85          HG22      VAL  85  -0.910  -3.365  -6.231
  630   HG23  VAL  85          HG23      VAL  85  -0.455  -4.907  -7.009
  631    H    PHE  86           H        PHE  86  -1.928  -5.239  -2.100
  632    HA   PHE  86           HA       PHE  86  -2.122  -8.145  -1.853
  633    HB2  PHE  86           HB2      PHE  86   0.130  -7.443  -0.911
  634    HB3  PHE  86           HB3      PHE  86  -0.737  -6.569   0.343
  635    HD1  PHE  86           HD1      PHE  86   0.135  -9.901  -1.036
  636    HD2  PHE  86           HD2      PHE  86  -1.810  -7.779   2.146
  637    HE1  PHE  86           HE1      PHE  86   0.091 -11.971   0.320
  638    HE2  PHE  86           HE2      PHE  86  -1.852  -9.838   3.515
  639    HZ   PHE  86           HZ       PHE  86  -0.904 -11.952   2.596
  640    H    LYS  87           H        LYS  87  -3.549  -8.678   0.119
  641    HA   LYS  87           HA       LYS  87  -5.736  -6.770   0.046
  642    HB2  LYS  87           HB2      LYS  87  -5.836  -9.312  -0.096
  643    HB3  LYS  87           HB3      LYS  87  -5.551  -9.341   1.654
  644    HG2  LYS  87           HG2      LYS  87  -7.574  -7.952   1.979
  645    HG3  LYS  87           HG3      LYS  87  -7.780  -7.839   0.219
  646    HD2  LYS  87           HD2      LYS  87  -8.031 -10.312   0.097
  647    HD3  LYS  87           HD3      LYS  87  -7.886 -10.404   1.867
  648    HE2  LYS  87           HE2      LYS  87  -9.888  -8.976   2.112
  649    HE3  LYS  87           HE3      LYS  87 -10.016  -8.838   0.348
  650    HZ1  LYS  87           HZ1      LYS  87 -10.328 -11.217   0.248
  651    HZ2  LYS  87           HZ2      LYS  87 -10.216 -11.341   1.884
  652    HZ3  LYS  87           HZ3      LYS  87 -11.478 -10.528   1.205
  653    H    SER  88           H        SER  88  -6.803  -5.908   1.936
  654    HA   SER  88           HA       SER  88  -5.183  -5.743   4.410
  655    HB2  SER  88           HB2      SER  88  -4.418  -3.905   2.933
  656    HB3  SER  88           HB3      SER  88  -6.085  -3.300   2.855
  657    HG   SER  88           HG       SER  88  -4.779  -2.280   4.480
  658    H    HIS  89           H        HIS  89  -6.487  -4.112   5.954
  659    HA   HIS  89           HA       HIS  89  -9.384  -4.596   5.834
  660    HB2  HIS  89           HB2      HIS  89  -9.266  -5.846   8.042
  661    HB3  HIS  89           HB3      HIS  89  -8.649  -6.734   6.643
  662    HD1  HIS  89           HD1      HIS  89  -7.474  -5.310   9.962
  663    HD2  HIS  89           HD2      HIS  89  -5.944  -7.060   6.463
  664    HE1  HIS  89           HE1      HIS  89  -5.030  -5.912  10.445
  665    H    ARG  90           H        ARG  90  -7.098  -2.461   6.325
  666    HA   ARG  90           HA       ARG  90  -7.138  -0.365   7.138
  667    HB2  ARG  90           HB2      ARG  90  -9.787  -1.104   8.435
  668    HB3  ARG  90           HB3      ARG  90  -9.033   0.491   8.492
  669    HG2  ARG  90           HG2      ARG  90  -9.030   0.614   6.040
  670    HG3  ARG  90           HG3      ARG  90  -9.842  -0.972   5.955
  671    HD2  ARG  90           HD2      ARG  90 -11.769  -0.082   7.176
  672    HD3  ARG  90           HD3      ARG  90 -10.935   1.460   7.429
  673    HE   ARG  90           HE       ARG  90 -11.073   1.921   5.058
  674   HH11  ARG  90          HH11      ARG  90 -13.064  -0.798   6.157
  675   HH12  ARG  90          HH12      ARG  90 -14.137  -0.704   4.781
  676   HH21  ARG  90          HH21      ARG  90 -12.463   2.000   3.294
  677   HH22  ARG  90          HH22      ARG  90 -13.789   0.865   3.152
  678    H    THR  91           H        THR  91  -7.733  -2.951   9.567
  679    HA   THR  91           HA       THR  91  -6.929  -1.369  11.814
  680    HB   THR  91           HB       THR  91  -6.641  -4.372  11.408
  681    HG1  THR  91           HG1      THR  91  -8.789  -2.847  12.462
  682   HG21  THR  91          HG21      THR  91  -6.867  -4.431  13.880
  683   HG22  THR  91          HG22      THR  91  -5.422  -3.542  13.361
  684   HG23  THR  91          HG23      THR  91  -6.860  -2.651  13.911
  685    H    GLU  92           H        GLU  92  -5.101  -3.432   9.519
  686    HA   GLU  92           HA       GLU  92  -2.533  -3.020  10.787
  687    HB2  GLU  92           HB2      GLU  92  -2.929  -4.876   9.249
  688    HB3  GLU  92           HB3      GLU  92  -3.399  -3.752   7.950
  689    HG2  GLU  92           HG2      GLU  92  -1.160  -2.805   7.893
  690    HG3  GLU  92           HG3      GLU  92  -0.666  -3.755   9.297
  691    H    MET  93           H        MET  93  -4.365  -1.337   8.220
  692    HA   MET  93           HA       MET  93  -2.266   0.335   7.339
  693    HB2  MET  93           HB2      MET  93  -4.418  -0.045   6.160
  694    HB3  MET  93           HB3      MET  93  -5.260   0.858   7.433
  695    HG2  MET  93           HG2      MET  93  -3.869   2.858   6.888
  696    HG3  MET  93           HG3      MET  93  -3.110   1.940   5.584
  697    HE1  MET  93           HE1      MET  93  -6.259   3.726   6.943
  698    HE2  MET  93           HE2      MET  93  -7.511   3.358   5.731
  699    HE3  MET  93           HE3      MET  93  -6.900   2.074   6.798
  700    H    ASP  94           H        ASP  94  -4.685   0.792   9.961
  701    HA   ASP  94           HA       ASP  94  -4.083   3.514  10.498
  702    HB2  ASP  94           HB2      ASP  94  -6.087   2.176  11.211
  703    HB3  ASP  94           HB3      ASP  94  -5.060   1.370  12.401
  704    H    TRP  95           H        TRP  95  -2.547   0.510  11.475
  705    HA   TRP  95           HA       TRP  95  -1.059   1.700  13.696
  706    HB2  TRP  95           HB2      TRP  95  -1.891  -0.599  13.779
  707    HB3  TRP  95           HB3      TRP  95  -1.004  -1.008  12.322
  708    HD1  TRP  95           HD1      TRP  95  -0.475  -0.438  16.051
  709    HE1  TRP  95           HE1      TRP  95   1.830  -1.294  16.739
  710    HE3  TRP  95           HE3      TRP  95   1.395  -1.477  11.417
  711    HZ2  TRP  95           HZ2      TRP  95   4.233  -2.259  15.423
  712    HZ3  TRP  95           HZ3      TRP  95   3.696  -2.334  11.153
  713    HH2  TRP  95           HH2      TRP  95   5.127  -2.735  13.148
  714    H    VAL  96           H        VAL  96  -0.519   1.260  10.272
  715    HA   VAL  96           HA       VAL  96   2.415   1.652  10.677
  716    HB   VAL  96           HB       VAL  96   1.822  -0.454   9.628
  717   HG11  VAL  96          HG11      VAL  96   0.575   1.087   7.366
  718   HG12  VAL  96          HG12      VAL  96   0.529  -0.677   7.713
  719   HG13  VAL  96          HG13      VAL  96  -0.368   0.462   8.719
  720   HG21  VAL  96          HG21      VAL  96   2.957   1.401   7.510
  721   HG22  VAL  96          HG22      VAL  96   3.890   0.655   8.831
  722   HG23  VAL  96          HG23      VAL  96   3.124  -0.362   7.595
  723    H    LEU  97           H        LEU  97  -0.437   3.266   9.620
  724    HA   LEU  97           HA       LEU  97   0.782   5.011   7.693
  725    HB2  LEU  97           HB2      LEU  97  -1.758   4.590   8.971
  726    HB3  LEU  97           HB3      LEU  97  -1.355   6.299   9.133
  727    HG   LEU  97           HG       LEU  97  -2.701   5.779   7.125
  728   HD11  LEU  97          HD11      LEU  97   0.122   6.741   6.506
  729   HD12  LEU  97          HD12      LEU  97  -1.317   7.021   5.501
  730   HD13  LEU  97          HD13      LEU  97  -1.215   7.737   7.122
  731   HD21  LEU  97          HD21      LEU  97  -1.858   4.505   5.294
  732   HD22  LEU  97          HD22      LEU  97  -0.251   4.346   6.035
  733   HD23  LEU  97          HD23      LEU  97  -1.651   3.505   6.740
  734    H    LYS  98           H        LYS  98   1.426   4.656  10.998
  735    HA   LYS  98           HA       LYS  98   2.561   7.397  11.120
  736    HB2  LYS  98           HB2      LYS  98   0.922   6.015  13.272
  737    HB3  LYS  98           HB3      LYS  98   1.841   7.517  13.474
  738    HG2  LYS  98           HG2      LYS  98   0.504   8.522  11.582
  739    HG3  LYS  98           HG3      LYS  98  -0.514   7.060  11.601
  740    HD2  LYS  98           HD2      LYS  98  -1.028   7.479  13.996
  741    HD3  LYS  98           HD3      LYS  98  -0.026   8.952  13.933
  742    HE2  LYS  98           HE2      LYS  98  -1.505   9.878  12.172
  743    HE3  LYS  98           HE3      LYS  98  -2.499   8.410  12.231
  744    HZ1  LYS  98           HZ1      LYS  98  -3.010   8.925  14.519
  745    HZ2  LYS  98           HZ2      LYS  98  -2.091  10.290  14.464
  746    HZ3  LYS  98           HZ3      LYS  98  -3.446  10.173  13.541
  747    H    HIS  99           H        HIS  99   3.299   4.193  11.070
  748    HA   HIS  99           HA       HIS  99   5.828   4.586  12.477
  749    HB2  HIS  99           HB2      HIS  99   4.314   4.049  14.348
  750    HB3  HIS  99           HB3      HIS  99   3.729   2.622  13.487
  751    HD1  HIS  99           HD1      HIS  99   5.078   0.421  13.902
  752    HD2  HIS  99           HD2      HIS  99   7.048   3.944  15.076
  753    HE1  HIS  99           HE1      HIS  99   7.198  -0.303  15.126
  754    H    SER 100           H        SER 100   7.351   2.883  11.995
  755    HA   SER 100           HA       SER 100   6.506   0.502  10.578
  756    HB2  SER 100           HB2      SER 100   7.705   0.933   8.502
  757    HB3  SER 100           HB3      SER 100   6.438   2.153   8.727
  758    HG   SER 100           HG       SER 100   8.038   3.572   9.490
  759    H    GLY 101           H        GLY 101   8.504  -0.787   9.875
  760    HA2  GLY 101           HA2      GLY 101  11.019  -0.148  11.075
  761    HA3  GLY 101           HA3      GLY 101  10.113  -1.275  12.099
  762    HA   PRO 102           HA       PRO 102  10.551  -3.873   8.121
  763    HB2  PRO 102           HB2      PRO 102  11.535  -2.794   5.803
  764    HB3  PRO 102           HB3      PRO 102   9.806  -2.691   6.278
  765    HG2  PRO 102           HG2      PRO 102  11.974  -0.610   6.681
  766    HG3  PRO 102           HG3      PRO 102  10.329  -0.379   5.993
  767    HD2  PRO 102           HD2      PRO 102  10.865   0.165   8.602
  768    HD3  PRO 102           HD3      PRO 102   9.319  -0.601   8.118
  769    H5'    A   1           H5'        A   1  18.910   0.774   2.711
  770   H5''    A   1          H5''        A   1  17.158   0.789   2.417
  771    H4'    A   1           H4'        A   1  19.011  -1.036   0.847
  772    H3'    A   1           H3'        A   1  19.494   1.598   0.726
  773    H2'    A   1           H2'        A   1  17.074   2.092   0.988
  774   HO2'    A   1          HO2'        A   1  16.657   3.207  -0.963
  775    H1'    A   1           H1'        A   1  16.806   0.326  -1.458
  776    H8     A   1           H8         A   1  14.563  -1.341  -0.227
  777    H61    A   1           H61        A   1  10.151   3.033  -0.049
  778    H62    A   1           H62        A   1  10.448   1.306   0.044
  779    H2     A   1           H2         A   1  14.081   5.030  -0.484
  780   HO5'    A   1          HO5'        A   1  18.747  -1.453   3.196
  781    H5'    G   2           H5'        G   2  19.715  -3.470  -2.201
  782   H5''    G   2          H5''        G   2  20.005  -2.096  -3.276
  783    H4'    G   2           H4'        G   2  17.573  -2.198  -1.437
  784    H3'    G   2           H3'        G   2  17.889  -3.366  -4.221
  785    H2'    G   2           H2'        G   2  15.552  -2.968  -4.443
  786   HO2'    G   2          HO2'        G   2  14.997  -3.945  -2.383
  787    H1'    G   2           H1'        G   2  15.670  -0.733  -2.648
  788    H8     G   2           H8         G   2  17.783   0.077  -5.545
  789    H1     G   2           H1         G   2  11.529   0.807  -6.650
  790    H21    G   2           H21        G   2  10.362  -0.173  -5.096
  791    H22    G   2           H22        G   2  11.098  -1.135  -3.831
  792    H5'    G   3           H5'        G   3  14.349  -5.639  -2.266
  793   H5''    G   3          H5''        G   3  14.942  -7.289  -2.511
  794    H4'    G   3           H4'        G   3  12.662  -7.332  -3.177
  795    H3'    G   3           H3'        G   3  14.685  -7.966  -5.050
  796    H2'    G   3           H2'        G   3  14.342  -5.868  -6.201
  797   HO2'    G   3          HO2'        G   3  12.543  -7.793  -7.302
  798    H1'    G   3           H1'        G   3  11.420  -6.467  -5.592
  799    H8     G   3           H8         G   3  13.834  -3.859  -7.036
  800    H1     G   3           H1         G   3   7.595  -2.454  -7.434
  801    H21    G   3           H21        G   3   6.433  -3.870  -6.177
  802    H22    G   3           H22        G   3   7.231  -5.165  -5.303
  803    H5'    G   4           H5'        G   4  14.244  -9.102  -2.261
  804   H5''    G   4          H5''        G   4  13.868 -10.801  -1.951
  805    H4'    G   4           H4'        G   4  13.622  -9.617   0.116
  806    H3'    G   4           H3'        G   4  11.625 -11.219  -0.763
  807    H2'    G   4           H2'        G   4  10.497  -9.421  -1.983
  808   HO2'    G   4          HO2'        G   4   9.345  -9.733   0.595
  809    H1'    G   4           H1'        G   4  10.793  -7.801   0.523
  810    H8     G   4           H8         G   4   9.107  -7.835  -2.549
  811    H1     G   4           H1         G   4  11.495  -1.956  -1.600
  812    H21    G   4           H21        G   4  12.851  -1.991   0.165
  813    H22    G   4           H22        G   4  13.285  -3.488   0.968
  814    H5'    A   5           H5'        A   5   8.711 -13.219   2.402
  815   H5''    A   5          H5''        A   5   8.820 -13.022   0.652
  816    H4'    A   5           H4'        A   5   6.783 -11.701   2.500
  817    H3'    A   5           H3'        A   5   6.696 -14.286   1.809
  818    H2'    A   5           H2'        A   5   7.418 -13.985  -0.455
  819   HO2'    A   5          HO2'        A   5   4.575 -14.067  -0.410
  820    H1'    A   5           H1'        A   5   5.385 -11.863  -0.969
  821    H8     A   5           H8         A   5   9.155 -12.605  -1.161
  822    H61    A   5           H61        A   5   8.810  -9.895  -6.734
  823    H62    A   5           H62        A   5   9.868 -10.750  -5.626
  824    H2     A   5           H2         A   5   4.878  -9.440  -4.685
  825    H5'    U   6           H5'        U   6   2.538 -10.643   3.063
  826   H5''    U   6          H5''        U   6   3.152 -10.984   1.444
  827    H4'    U   6           H4'        U   6   4.139  -8.653   3.144
  828    H3'    U   6           H3'        U   6   1.636  -9.081   1.642
  829   HO3'    U   6          HO3'        U   6   2.579  -6.960   3.301
  830    H2'    U   6           H2'        U   6   1.854  -7.421   0.097
  831   HO2'    U   6          HO2'        U   6   2.264  -5.730   1.649
  832    H1'    U   6           H1'        U   6   4.532  -7.319  -0.360
  833    H3     U   6           H3         U   6   1.622  -8.906  -3.710
  834    H5     U   6           H5         U   6   3.465 -12.163  -1.791
  835    H6     U   6           H6         U   6   4.292 -10.637  -0.135
  Start of MODEL   11
    1    H    MET   1           H        MET   1 -13.041 -11.845  18.654
    2    HA   MET   1           HA       MET   1 -11.396 -12.835  16.435
    3    HB2  MET   1           HB2      MET   1 -14.246 -13.521  17.255
    4    HB3  MET   1           HB3      MET   1 -13.463 -14.029  15.745
    5    HG2  MET   1           HG2      MET   1 -11.713 -15.196  17.044
    6    HG3  MET   1           HG3      MET   1 -12.505 -14.714  18.550
    7    HE1  MET   1           HE1      MET   1 -11.675 -17.684  17.870
    8    HE2  MET   1           HE2      MET   1 -12.474 -17.187  19.381
    9    HE3  MET   1           HE3      MET   1 -13.107 -18.564  18.450
   10    H    MET   2           H        MET   2 -11.419 -11.608  14.680
   11    HA   MET   2           HA       MET   2 -11.807  -9.876  13.287
   12    HB2  MET   2           HB2      MET   2 -14.714 -10.406  13.984
   13    HB3  MET   2           HB3      MET   2 -14.120  -9.505  12.578
   14    HG2  MET   2           HG2      MET   2 -12.912 -11.504  11.791
   15    HG3  MET   2           HG3      MET   2 -13.484 -12.417  13.192
   16    HE1  MET   2           HE1      MET   2 -15.385 -14.097  10.239
   17    HE2  MET   2           HE2      MET   2 -13.736 -13.429  10.218
   18    HE3  MET   2           HE3      MET   2 -14.311 -14.336  11.638
   19    H    LEU   3           H        LEU   3 -13.160  -7.658  13.050
   20    HA   LEU   3           HA       LEU   3 -13.483  -6.334  15.654
   21    HB2  LEU   3           HB2      LEU   3 -11.038  -6.291  15.171
   22    HB3  LEU   3           HB3      LEU   3 -11.363  -5.473  13.641
   23    HG   LEU   3           HG       LEU   3 -12.262  -3.521  14.854
   24   HD11  LEU   3          HD11      LEU   3 -12.006  -3.399  17.328
   25   HD12  LEU   3          HD12      LEU   3 -13.185  -4.635  16.850
   26   HD13  LEU   3          HD13      LEU   3 -11.546  -5.116  17.355
   27   HD21  LEU   3          HD21      LEU   3  -9.576  -4.478  15.915
   28   HD22  LEU   3          HD22      LEU   3  -9.853  -3.655  14.363
   29   HD23  LEU   3          HD23      LEU   3 -10.149  -2.793  15.888
   30    H    GLY   4           H        GLY   4 -14.126  -6.619  12.268
   31    HA2  GLY   4           HA2      GLY   4 -16.298  -4.768  12.391
   32    HA3  GLY   4           HA3      GLY   4 -14.923  -4.023  11.552
   33    HA   PRO   5           HA       PRO   5 -15.741  -7.835   8.820
   34    HB2  PRO   5           HB2      PRO   5 -17.557  -9.764   9.496
   35    HB3  PRO   5           HB3      PRO   5 -15.898  -9.704  10.183
   36    HG2  PRO   5           HG2      PRO   5 -18.453  -8.607  11.402
   37    HG3  PRO   5           HG3      PRO   5 -17.240  -9.692  12.169
   38    HD2  PRO   5           HD2      PRO   5 -17.179  -6.996  12.543
   39    HD3  PRO   5           HD3      PRO   5 -15.670  -7.942  12.362
   40    H    GLU   6           H        GLU   6 -17.761  -5.476   9.599
   41    HA   GLU   6           HA       GLU   6 -19.583  -6.031   7.340
   42    HB2  GLU   6           HB2      GLU   6 -20.604  -6.682   9.589
   43    HB3  GLU   6           HB3      GLU   6 -20.586  -4.961  10.002
   44    HG2  GLU   6           HG2      GLU   6 -22.060  -4.479   8.080
   45    HG3  GLU   6           HG3      GLU   6 -21.963  -6.170   7.560
   46    H    GLY   7           H        GLY   7 -17.198  -4.155   8.364
   47    HA2  GLY   7           HA2      GLY   7 -17.992  -1.891   6.768
   48    HA3  GLY   7           HA3      GLY   7 -18.026  -1.502   8.498
   49    H    GLY   8           H        GLY   8 -15.714  -3.927   7.627
   50    HA2  GLY   8           HA2      GLY   8 -13.484  -2.219   6.991
   51    HA3  GLY   8           HA3      GLY   8 -13.520  -2.633   8.714
   52    H    GLU   9           H        GLU   9 -11.456  -3.713   8.189
   53    HA   GLU   9           HA       GLU   9 -10.142  -5.442   7.682
   54    HB2  GLU   9           HB2      GLU   9 -12.636  -7.061   8.228
   55    HB3  GLU   9           HB3      GLU   9 -10.985  -7.693   8.165
   56    HG2  GLU   9           HG2      GLU   9 -10.316  -6.196  10.009
   57    HG3  GLU   9           HG3      GLU   9 -11.964  -5.553  10.092
   58    H    GLY  10           H        GLY  10 -11.838  -4.252   5.421
   59    HA2  GLY  10           HA2      GLY  10 -10.702  -5.846   3.336
   60    HA3  GLY  10           HA3      GLY  10 -12.444  -6.147   3.472
   61    H    PHE  11           H        PHE  11 -11.738  -5.180   1.169
   62    HA   PHE  11           HA       PHE  11 -11.976  -3.582  -0.369
   63    HB2  PHE  11           HB2      PHE  11 -13.405  -1.857   1.609
   64    HB3  PHE  11           HB3      PHE  11 -13.603  -1.900  -0.131
   65    HD1  PHE  11           HD1      PHE  11 -13.662  -5.255   0.337
   66    HD2  PHE  11           HD2      PHE  11 -15.921  -1.798   1.529
   67    HE1  PHE  11           HE1      PHE  11 -15.640  -6.680   0.717
   68    HE2  PHE  11           HE2      PHE  11 -17.925  -3.222   1.847
   69    HZ   PHE  11           HZ       PHE  11 -17.782  -5.669   1.452
   70    H    VAL  12           H        VAL  12  -9.733  -3.676   1.502
   71    HA   VAL  12           HA       VAL  12  -8.621  -0.995   0.881
   72    HB   VAL  12           HB       VAL  12  -8.107  -2.490   3.488
   73   HG11  VAL  12          HG11      VAL  12  -6.241  -1.069   2.732
   74   HG12  VAL  12          HG12      VAL  12  -7.350   0.301   2.522
   75   HG13  VAL  12          HG13      VAL  12  -7.029  -0.348   4.145
   76   HG21  VAL  12          HG21      VAL  12 -10.381  -1.662   3.605
   77   HG22  VAL  12          HG22      VAL  12  -9.332  -0.634   4.603
   78   HG23  VAL  12          HG23      VAL  12  -9.873  -0.062   3.007
   79    H    VAL  13           H        VAL  13  -6.464  -1.125   0.205
   80    HA   VAL  13           HA       VAL  13  -5.148  -3.782   0.424
   81    HB   VAL  13           HB       VAL  13  -4.410  -3.634  -1.931
   82   HG11  VAL  13          HG11      VAL  13  -7.437  -3.678  -1.621
   83   HG12  VAL  13          HG12      VAL  13  -6.487  -4.429  -2.923
   84   HG13  VAL  13          HG13      VAL  13  -6.343  -5.036  -1.261
   85   HG21  VAL  13          HG21      VAL  13  -6.494  -1.422  -2.164
   86   HG22  VAL  13          HG22      VAL  13  -4.730  -1.214  -2.298
   87   HG23  VAL  13          HG23      VAL  13  -5.607  -2.172  -3.507
   88    H    LYS  14           H        LYS  14  -2.897  -3.766   0.008
   89    HA   LYS  14           HA       LYS  14  -1.568  -1.243   0.815
   90    HB2  LYS  14           HB2      LYS  14  -0.254  -3.933   0.343
   91    HB3  LYS  14           HB3      LYS  14   0.275  -2.609   1.395
   92    HG2  LYS  14           HG2      LYS  14  -1.758  -3.068   2.843
   93    HG3  LYS  14           HG3      LYS  14  -2.089  -4.486   1.822
   94    HD2  LYS  14           HD2      LYS  14   0.245  -5.302   2.312
   95    HD3  LYS  14           HD3      LYS  14   0.404  -3.982   3.493
   96    HE2  LYS  14           HE2      LYS  14  -1.590  -4.880   4.705
   97    HE3  LYS  14           HE3      LYS  14  -1.695  -6.186   3.512
   98    HZ1  LYS  14           HZ1      LYS  14   0.531  -5.676   5.364
   99    HZ2  LYS  14           HZ2      LYS  14  -0.531  -6.927   5.439
  100    HZ3  LYS  14           HZ3      LYS  14   0.552  -6.837   4.194
  101    H    LEU  15           H        LEU  15   0.388  -0.565  -0.372
  102    HA   LEU  15           HA       LEU  15   0.599  -1.576  -3.155
  103    HB2  LEU  15           HB2      LEU  15  -0.691   0.719  -2.575
  104    HB3  LEU  15           HB3      LEU  15   0.957   1.334  -2.523
  105    HG   LEU  15           HG       LEU  15   0.021   1.746  -4.655
  106   HD11  LEU  15          HD11      LEU  15   1.852  -0.641  -5.068
  107   HD12  LEU  15          HD12      LEU  15   1.584   0.716  -6.173
  108   HD13  LEU  15          HD13      LEU  15   2.418   0.997  -4.631
  109   HD21  LEU  15          HD21      LEU  15  -1.746   0.032  -4.641
  110   HD22  LEU  15          HD22      LEU  15  -0.818  -0.019  -6.156
  111   HD23  LEU  15          HD23      LEU  15  -0.529  -1.237  -4.897
  112    H    ARG  16           H        ARG  16   2.717  -1.649  -3.905
  113    HA   ARG  16           HA       ARG  16   4.954  -0.646  -2.277
  114    HB2  ARG  16           HB2      ARG  16   4.131  -2.772  -1.220
  115    HB3  ARG  16           HB3      ARG  16   4.415  -3.612  -2.743
  116    HG2  ARG  16           HG2      ARG  16   6.855  -3.145  -2.528
  117    HG3  ARG  16           HG3      ARG  16   6.532  -2.300  -0.986
  118    HD2  ARG  16           HD2      ARG  16   5.404  -4.390  -0.157
  119    HD3  ARG  16           HD3      ARG  16   5.889  -5.199  -1.653
  120    HE   ARG  16           HE       ARG  16   7.972  -4.004   0.108
  121   HH11  ARG  16          HH11      ARG  16   6.553  -6.865  -1.455
  122   HH12  ARG  16          HH12      ARG  16   7.774  -7.941  -0.818
  123   HH21  ARG  16          HH21      ARG  16   9.562  -5.451   0.869
  124   HH22  ARG  16          HH22      ARG  16   9.479  -7.144   0.436
  125    H    GLY  17           H        GLY  17   7.060  -1.078  -3.451
  126    HA2  GLY  17           HA2      GLY  17   8.200  -1.914  -5.401
  127    HA3  GLY  17           HA3      GLY  17   6.681  -1.848  -6.304
  128    H    LEU  18           H        LEU  18   8.095  -0.743  -7.877
  129    HA   LEU  18           HA       LEU  18   8.515   1.090  -9.110
  130    HB2  LEU  18           HB2      LEU  18   7.001   2.585  -6.923
  131    HB3  LEU  18           HB3      LEU  18   7.477   3.268  -8.469
  132    HG   LEU  18           HG       LEU  18   5.580   0.931  -8.079
  133   HD11  LEU  18          HD11      LEU  18   4.649   3.157  -7.552
  134   HD12  LEU  18          HD12      LEU  18   5.196   3.764  -9.132
  135   HD13  LEU  18          HD13      LEU  18   3.944   2.504  -9.046
  136   HD21  LEU  18          HD21      LEU  18   6.775   2.223 -10.563
  137   HD22  LEU  18          HD22      LEU  18   6.794   0.497 -10.101
  138   HD23  LEU  18          HD23      LEU  18   5.277   1.279 -10.599
  139    HA   PRO  19           HA       PRO  19  12.277   3.018  -7.777
  140    HB2  PRO  19           HB2      PRO  19  11.107   5.707  -8.463
  141    HB3  PRO  19           HB3      PRO  19  12.685   5.003  -8.951
  142    HG2  PRO  19           HG2      PRO  19  10.639   5.044 -10.707
  143    HG3  PRO  19           HG3      PRO  19  11.609   3.537 -10.524
  144    HD2  PRO  19           HD2      PRO  19   8.974   4.246  -9.221
  145    HD3  PRO  19           HD3      PRO  19   9.397   2.745 -10.107
  146    H    TRP  20           H        TRP  20  10.090   2.829  -5.674
  147    HA   TRP  20           HA       TRP  20   9.473   3.643  -3.679
  148    HB2  TRP  20           HB2      TRP  20  12.451   4.072  -3.730
  149    HB3  TRP  20           HB3      TRP  20  11.515   4.582  -2.334
  150    HD1  TRP  20           HD1      TRP  20   9.479   1.972  -2.547
  151    HE1  TRP  20           HE1      TRP  20  10.265  -0.197  -1.490
  152    HE3  TRP  20           HE3      TRP  20  14.538   2.834  -2.568
  153    HZ2  TRP  20           HZ2      TRP  20  12.769  -1.382  -0.621
  154    HZ3  TRP  20           HZ3      TRP  20  16.077   1.102  -1.656
  155    HH2  TRP  20           HH2      TRP  20  15.213  -0.974  -0.704
  156    H    SER  21           H        SER  21   9.019   5.368  -5.910
  157    HA   SER  21           HA       SER  21   8.241   7.722  -4.341
  158    HB2  SER  21           HB2      SER  21  10.412   8.388  -5.341
  159    HB3  SER  21           HB3      SER  21   9.811   7.923  -6.950
  160    HG   SER  21           HG       SER  21   9.568  10.170  -6.508
  161    H    CYS  22           H        CYS  22   6.220   8.460  -5.051
  162    HA   CYS  22           HA       CYS  22   5.114   7.651  -7.617
  163    HB2  CYS  22           HB2      CYS  22   5.073   5.551  -6.172
  164    HB3  CYS  22           HB3      CYS  22   3.967   6.407  -5.080
  165    HG   CYS  22           HG       CYS  22   2.642   4.730  -6.584
  166    H    SER  23           H        SER  23   2.640   8.171  -7.577
  167    HA   SER  23           HA       SER  23   1.905  10.309  -5.663
  168    HB2  SER  23           HB2      SER  23   1.817  10.607  -8.692
  169    HB3  SER  23           HB3      SER  23   1.169  11.763  -7.512
  170    HG   SER  23           HG       SER  23   3.269  12.326  -8.245
  171    H    VAL  24           H        VAL  24  -0.477  10.855  -5.914
  172    HA   VAL  24           HA       VAL  24  -1.865   8.387  -5.723
  173    HB   VAL  24           HB       VAL  24  -3.432   9.554  -4.692
  174   HG11  VAL  24          HG11      VAL  24  -1.669  11.981  -5.191
  175   HG12  VAL  24          HG12      VAL  24  -2.873  11.785  -3.900
  176   HG13  VAL  24          HG13      VAL  24  -1.420  10.767  -3.904
  177   HG21  VAL  24          HG21      VAL  24  -4.621  10.217  -6.650
  178   HG22  VAL  24          HG22      VAL  24  -4.555  11.569  -5.513
  179   HG23  VAL  24          HG23      VAL  24  -3.491  11.572  -6.942
  180    H    GLU  25           H        GLU  25  -1.226  10.386  -8.493
  181    HA   GLU  25           HA       GLU  25  -3.598   9.530  -9.971
  182    HB2  GLU  25           HB2      GLU  25  -1.046  10.955 -10.825
  183    HB3  GLU  25           HB3      GLU  25  -2.481  10.699 -11.837
  184    HG2  GLU  25           HG2      GLU  25  -3.848  11.965 -10.172
  185    HG3  GLU  25           HG3      GLU  25  -2.381  12.271  -9.225
  186    H    ASP  26           H        ASP  26  -0.309   8.335  -9.469
  187    HA   ASP  26           HA       ASP  26  -0.392   6.674 -11.895
  188    HB2  ASP  26           HB2      ASP  26   1.533   6.786  -9.539
  189    HB3  ASP  26           HB3      ASP  26   1.763   5.811 -11.000
  190    H    VAL  27           H        VAL  27  -0.895   6.319  -8.366
  191    HA   VAL  27           HA       VAL  27  -1.057   3.452  -8.456
  192    HB   VAL  27           HB       VAL  27  -0.502   4.743  -6.443
  193   HG11  VAL  27          HG11      VAL  27  -3.429   5.573  -6.405
  194   HG12  VAL  27          HG12      VAL  27  -2.207   5.912  -5.162
  195   HG13  VAL  27          HG13      VAL  27  -2.044   6.631  -6.779
  196   HG21  VAL  27          HG21      VAL  27  -3.065   3.143  -6.102
  197   HG22  VAL  27          HG22      VAL  27  -1.433   2.452  -6.250
  198   HG23  VAL  27          HG23      VAL  27  -1.840   3.484  -4.857
  199    H    GLN  28           H        GLN  28  -3.507   6.090  -8.792
  200    HA   GLN  28           HA       GLN  28  -5.679   4.172  -8.889
  201    HB2  GLN  28           HB2      GLN  28  -7.047   6.055  -9.562
  202    HB3  GLN  28           HB3      GLN  28  -6.008   6.507  -8.201
  203    HG2  GLN  28           HG2      GLN  28  -4.439   7.581  -9.812
  204    HG3  GLN  28           HG3      GLN  28  -5.552   7.210 -11.135
  205   HE21  GLN  28          HE21      GLN  28  -5.274   8.953  -8.017
  206   HE22  GLN  28          HE22      GLN  28  -6.492  10.160  -8.377
  207    H    ASN  29           H        ASN  29  -3.416   5.545 -11.246
  208    HA   ASN  29           HA       ASN  29  -4.827   4.706 -13.605
  209    HB2  ASN  29           HB2      ASN  29  -3.186   6.101 -14.295
  210    HB3  ASN  29           HB3      ASN  29  -2.237   5.833 -12.832
  211   HD21  ASN  29          HD21      ASN  29  -0.766   4.081 -12.691
  212   HD22  ASN  29          HD22      ASN  29  -0.108   3.351 -14.138
  213    H    PHE  30           H        PHE  30  -2.931   2.986 -11.195
  214    HA   PHE  30           HA       PHE  30  -2.470   0.716 -13.034
  215    HB2  PHE  30           HB2      PHE  30  -0.631   1.538 -11.717
  216    HB3  PHE  30           HB3      PHE  30  -1.545   1.362 -10.224
  217    HD1  PHE  30           HD1      PHE  30  -0.127  -0.603 -13.090
  218    HD2  PHE  30           HD2      PHE  30  -1.455  -0.627  -9.004
  219    HE1  PHE  30           HE1      PHE  30   0.734  -2.916 -12.822
  220    HE2  PHE  30           HE2      PHE  30  -0.634  -2.949  -8.745
  221    HZ   PHE  30           HZ       PHE  30   0.483  -4.090 -10.652
  222    H    LEU  31           H        LEU  31  -4.581   1.681 -10.405
  223    HA   LEU  31           HA       LEU  31  -5.716  -1.073 -10.265
  224    HB2  LEU  31           HB2      LEU  31  -5.848   1.346  -8.467
  225    HB3  LEU  31           HB3      LEU  31  -7.105   0.124  -8.396
  226    HG   LEU  31           HG       LEU  31  -5.610  -1.614  -7.760
  227   HD11  LEU  31          HD11      LEU  31  -3.653  -1.167  -9.070
  228   HD12  LEU  31          HD12      LEU  31  -3.347   0.357  -8.182
  229   HD13  LEU  31          HD13      LEU  31  -3.201  -1.216  -7.361
  230   HD21  LEU  31          HD21      LEU  31  -4.945   0.951  -6.256
  231   HD22  LEU  31          HD22      LEU  31  -6.387  -0.059  -5.996
  232   HD23  LEU  31          HD23      LEU  31  -4.772  -0.702  -5.620
  233    H    SER  32           H        SER  32  -6.196  -0.347 -12.641
  234    HA   SER  32           HA       SER  32  -8.188   1.488 -13.277
  235    HB2  SER  32           HB2      SER  32  -8.575   0.008 -15.248
  236    HB3  SER  32           HB3      SER  32  -6.858   0.340 -14.947
  237    HG   SER  32           HG       SER  32  -8.300  -2.002 -14.228
  238    H    ASP  33           H        ASP  33 -10.371   1.274 -13.721
  239    HA   ASP  33           HA       ASP  33 -12.515   0.936 -13.178
  240    HB2  ASP  33           HB2      ASP  33 -11.668  -1.966 -12.938
  241    HB3  ASP  33           HB3      ASP  33 -13.329  -1.379 -13.107
  242    H    CYS  34           H        CYS  34 -10.228   0.597 -10.703
  243    HA   CYS  34           HA       CYS  34 -12.062  -0.201  -8.603
  244    HB2  CYS  34           HB2      CYS  34  -9.362   1.207  -8.596
  245    HB3  CYS  34           HB3      CYS  34 -10.206   0.665  -7.137
  246    HG   CYS  34           HG       CYS  34  -9.386  -1.152  -9.773
  247    H    THR  35           H        THR  35 -12.112   1.529  -6.658
  248    HA   THR  35           HA       THR  35 -13.243   4.036  -7.805
  249    HB   THR  35           HB       THR  35 -14.367   2.085  -5.780
  250    HG1  THR  35           HG1      THR  35 -16.142   2.255  -7.162
  251   HG21  THR  35          HG21      THR  35 -15.217   4.973  -6.191
  252   HG22  THR  35          HG22      THR  35 -16.173   3.738  -5.331
  253   HG23  THR  35          HG23      THR  35 -14.588   4.226  -4.698
  254    H    ILE  36           H        ILE  36 -11.290   2.564  -5.448
  255    HA   ILE  36           HA       ILE  36  -9.832   3.395  -3.903
  256    HB   ILE  36           HB       ILE  36 -10.005   5.736  -5.792
  257   HG12  ILE  36          HG12      ILE  36  -7.760   3.756  -5.825
  258   HG13  ILE  36          HG13      ILE  36  -9.324   3.155  -6.391
  259   HG21  ILE  36          HG21      ILE  36  -8.791   6.554  -3.887
  260   HG22  ILE  36          HG22      ILE  36  -7.963   5.003  -3.665
  261   HG23  ILE  36          HG23      ILE  36  -7.560   6.052  -5.051
  262   HD11  ILE  36          HD11      ILE  36  -8.005   5.694  -7.393
  263   HD12  ILE  36          HD12      ILE  36  -8.021   4.124  -8.240
  264   HD13  ILE  36          HD13      ILE  36  -9.546   4.999  -7.955
  265    H    HIS  37           H        HIS  37 -12.747   3.830  -3.485
  266    HA   HIS  37           HA       HIS  37 -14.095   4.576  -1.841
  267    HB2  HIS  37           HB2      HIS  37 -12.037   4.013  -0.511
  268    HB3  HIS  37           HB3      HIS  37 -11.655   5.734  -0.512
  269    HD1  HIS  37           HD1      HIS  37 -13.975   3.199   1.096
  270    HD2  HIS  37           HD2      HIS  37 -13.376   7.348   0.896
  271    HE1  HIS  37           HE1      HIS  37 -15.355   4.223   2.992
  272    H    ASP  38           H        ASP  38 -11.729   7.135  -2.743
  273    HA   ASP  38           HA       ASP  38 -13.967   8.827  -3.600
  274    HB2  ASP  38           HB2      ASP  38 -11.992   9.681  -1.442
  275    HB3  ASP  38           HB3      ASP  38 -12.933  10.810  -2.426
  276    H    GLY  39           H        GLY  39 -10.990   7.459  -4.235
  277    HA2  GLY  39           HA2      GLY  39  -9.622   7.877  -6.092
  278    HA3  GLY  39           HA3      GLY  39 -10.439   9.427  -6.335
  279    H    ALA  40           H        ALA  40  -9.157  11.101  -6.046
  280    HA   ALA  40           HA       ALA  40  -6.604  11.048  -4.818
  281    HB1  ALA  40           HB1      ALA  40  -8.441  13.385  -5.462
  282    HB2  ALA  40           HB2      ALA  40  -6.688  13.488  -5.171
  283    HB3  ALA  40           HB3      ALA  40  -7.298  12.614  -6.592
  284    H    ALA  41           H        ALA  41  -9.399  10.648  -3.191
  285    HA   ALA  41           HA       ALA  41  -8.374  12.021  -0.768
  286    HB1  ALA  41           HB1      ALA  41 -11.260  11.751  -1.657
  287    HB2  ALA  41           HB2      ALA  41 -10.722  12.407  -0.096
  288    HB3  ALA  41           HB3      ALA  41 -10.305  13.248  -1.606
  289    H    GLY  42           H        GLY  42  -8.224   9.187  -2.000
  290    HA2  GLY  42           HA2      GLY  42  -8.931   7.795   0.538
  291    HA3  GLY  42           HA3      GLY  42  -9.314   7.083  -1.039
  292    H    VAL  43           H        VAL  43  -6.499   8.790  -1.510
  293    HA   VAL  43           HA       VAL  43  -4.845   6.420  -1.542
  294    HB   VAL  43           HB       VAL  43  -4.747   8.510  -3.100
  295   HG11  VAL  43          HG11      VAL  43  -4.658  10.181  -1.255
  296   HG12  VAL  43          HG12      VAL  43  -3.056   9.557  -0.790
  297   HG13  VAL  43          HG13      VAL  43  -3.289  10.309  -2.374
  298   HG21  VAL  43          HG21      VAL  43  -2.173   7.461  -1.855
  299   HG22  VAL  43          HG22      VAL  43  -3.120   6.651  -3.125
  300   HG23  VAL  43          HG23      VAL  43  -2.347   8.215  -3.448
  301    H    HIS  44           H        HIS  44  -2.792   6.209  -0.356
  302    HA   HIS  44           HA       HIS  44  -2.315   7.949   1.973
  303    HB2  HIS  44           HB2      HIS  44  -2.891   4.971   2.139
  304    HB3  HIS  44           HB3      HIS  44  -1.935   5.830   3.351
  305    HD1  HIS  44           HD1      HIS  44  -3.340   7.937   4.617
  306    HD2  HIS  44           HD2      HIS  44  -5.467   4.985   2.526
  307    HE1  HIS  44           HE1      HIS  44  -5.747   8.059   5.447
  308    H    PHE  45           H        PHE  45  -0.126   7.551   2.853
  309    HA   PHE  45           HA       PHE  45   1.673   5.862   1.235
  310    HB2  PHE  45           HB2      PHE  45   1.945   8.870   1.547
  311    HB3  PHE  45           HB3      PHE  45   3.259   7.805   1.037
  312    HD1  PHE  45           HD1      PHE  45   3.114   6.531  -1.095
  313    HD2  PHE  45           HD2      PHE  45   0.209   9.506  -0.006
  314    HE1  PHE  45           HE1      PHE  45   2.272   6.558  -3.426
  315    HE2  PHE  45           HE2      PHE  45  -0.628   9.539  -2.339
  316    HZ   PHE  45           HZ       PHE  45   0.375   8.031  -4.047
  317    H    ILE  46           H        ILE  46   4.018   6.140   2.288
  318    HA   ILE  46           HA       ILE  46   3.608   6.072   5.245
  319    HB   ILE  46           HB       ILE  46   5.015   3.974   3.577
  320   HG12  ILE  46          HG12      ILE  46   2.366   3.895   5.098
  321   HG13  ILE  46          HG13      ILE  46   2.544   3.937   3.333
  322   HG21  ILE  46          HG21      ILE  46   5.185   2.794   5.761
  323   HG22  ILE  46          HG22      ILE  46   6.032   4.347   5.795
  324   HG23  ILE  46          HG23      ILE  46   4.438   4.196   6.567
  325   HD11  ILE  46          HD11      ILE  46   3.419   1.719   5.194
  326   HD12  ILE  46          HD12      ILE  46   2.179   1.669   3.917
  327   HD13  ILE  46          HD13      ILE  46   3.891   1.824   3.477
  328    H    TYR  47           H        TYR  47   4.940   7.536   6.107
  329    HA   TYR  47           HA       TYR  47   7.798   7.368   5.688
  330    HB2  TYR  47           HB2      TYR  47   8.095   9.673   4.912
  331    HB3  TYR  47           HB3      TYR  47   7.238   8.703   3.720
  332    HD1  TYR  47           HD1      TYR  47   6.945  11.443   6.180
  333    HD2  TYR  47           HD2      TYR  47   4.918   9.152   3.155
  334    HE1  TYR  47           HE1      TYR  47   5.123  13.129   6.130
  335    HE2  TYR  47           HE2      TYR  47   3.095  10.838   3.093
  336    HH   TYR  47           HH       TYR  47   2.295  12.809   3.947
  337    H    THR  48           H        THR  48   8.969   8.623   7.239
  338    HA   THR  48           HA       THR  48   7.491  10.308   9.139
  339    HB   THR  48           HB       THR  48   8.453   9.154  11.094
  340    HG1  THR  48           HG1      THR  48   9.258   7.280   9.140
  341   HG21  THR  48          HG21      THR  48   6.928   7.288  11.208
  342   HG22  THR  48          HG22      THR  48   6.142   8.662  10.406
  343   HG23  THR  48          HG23      THR  48   6.730   7.284   9.439
  344    H    ARG  49           H        ARG  49   9.212  10.970  10.902
  345    HA   ARG  49           HA       ARG  49  11.116  12.564   9.525
  346    HB2  ARG  49           HB2      ARG  49  11.626  13.392  11.790
  347    HB3  ARG  49           HB3      ARG  49   9.891  13.278  11.473
  348    HG2  ARG  49           HG2      ARG  49  10.097  12.477  13.649
  349    HG3  ARG  49           HG3      ARG  49   9.951  11.006  12.679
  350    HD2  ARG  49           HD2      ARG  49  12.438  10.765  12.754
  351    HD3  ARG  49           HD3      ARG  49  12.537  12.214  13.762
  352    HE   ARG  49           HE       ARG  49  11.704   9.518  14.539
  353   HH11  ARG  49          HH11      ARG  49  11.591  12.950  15.417
  354   HH12  ARG  49          HH12      ARG  49  11.283  12.618  17.105
  355   HH21  ARG  49          HH21      ARG  49  11.312   9.128  16.727
  356   HH22  ARG  49          HH22      ARG  49  11.128  10.458  17.847
  357    H    GLU  50           H        GLU  50  11.524   9.332   9.891
  358    HA   GLU  50           HA       GLU  50  14.453   9.632  10.131
  359    HB2  GLU  50           HB2      GLU  50  14.612   7.828  11.794
  360    HB3  GLU  50           HB3      GLU  50  13.769   9.251  12.426
  361    HG2  GLU  50           HG2      GLU  50  11.593   8.172  11.912
  362    HG3  GLU  50           HG3      GLU  50  12.465   6.749  11.314
  363    H    GLY  51           H        GLY  51  11.874   8.413   8.433
  364    HA2  GLY  51           HA2      GLY  51  13.307   7.089   6.534
  365    HA3  GLY  51           HA3      GLY  51  12.848   5.809   7.689
  366    H    ARG  52           H        ARG  52   9.980   6.681   5.231
  367    HA   ARG  52           HA       ARG  52  12.910   6.525   4.759
  368    HB2  ARG  52           HB2      ARG  52  12.421   4.448   3.367
  369    HB3  ARG  52           HB3      ARG  52  12.483   4.244   5.124
  370    HG2  ARG  52           HG2      ARG  52  10.085   4.170   5.311
  371    HG3  ARG  52           HG3      ARG  52   9.876   4.732   3.636
  372    HD2  ARG  52           HD2      ARG  52   9.507   2.324   3.797
  373    HD3  ARG  52           HD3      ARG  52  10.921   2.724   2.790
  374    HE   ARG  52           HE       ARG  52  11.757   2.232   5.484
  375   HH11  ARG  52          HH11      ARG  52  10.462   0.509   2.678
  376   HH12  ARG  52          HH12      ARG  52  11.383  -0.946   3.001
  377   HH21  ARG  52          HH21      ARG  52  12.919   0.289   5.896
  378   HH22  ARG  52          HH22      ARG  52  12.705  -1.090   4.839
  379    H    GLN  53           H        GLN  53   9.975   7.800   3.989
  380    HA   GLN  53           HA       GLN  53   9.121   8.946   2.257
  381    HB2  GLN  53           HB2      GLN  53  11.990   9.188   1.298
  382    HB3  GLN  53           HB3      GLN  53  10.644  10.286   0.963
  383    HG2  GLN  53           HG2      GLN  53  11.939   9.777   3.672
  384    HG3  GLN  53           HG3      GLN  53  12.117  11.227   2.686
  385   HE21  GLN  53          HE21      GLN  53  11.008  10.756   5.480
  386   HE22  GLN  53          HE22      GLN  53   9.412  11.475   5.444
  387    H    SER  54           H        SER  54   9.661   5.946   1.899
  388    HA   SER  54           HA       SER  54  10.234   5.532  -0.883
  389    HB2  SER  54           HB2      SER  54   9.591   3.231  -0.415
  390    HB3  SER  54           HB3      SER  54  10.605   3.856   0.904
  391    HG   SER  54           HG       SER  54   8.721   2.727   1.617
  392    H    GLY  55           H        GLY  55   8.542   4.047  -2.099
  393    HA2  GLY  55           HA2      GLY  55   6.160   5.723  -2.521
  394    HA3  GLY  55           HA3      GLY  55   6.753   4.409  -3.561
  395    H    GLU  56           H        GLU  56   6.873   3.256  -0.415
  396    HA   GLU  56           HA       GLU  56   4.740   1.414  -0.730
  397    HB2  GLU  56           HB2      GLU  56   6.235   2.390   1.733
  398    HB3  GLU  56           HB3      GLU  56   5.120   1.002   1.721
  399    HG2  GLU  56           HG2      GLU  56   6.479  -0.187   0.118
  400    HG3  GLU  56           HG3      GLU  56   7.498   1.232  -0.161
  401    H    ALA  57           H        ALA  57   2.649   1.345   0.101
  402    HA   ALA  57           HA       ALA  57   1.455   3.731   1.305
  403    HB1  ALA  57           HB1      ALA  57   1.335   3.136  -1.673
  404    HB2  ALA  57           HB2      ALA  57   0.092   4.106  -0.873
  405    HB3  ALA  57           HB3      ALA  57   1.789   4.647  -0.878
  406    H    PHE  58           H        PHE  58  -1.022   3.634   0.867
  407    HA   PHE  58           HA       PHE  58  -2.061   0.872   0.550
  408    HB2  PHE  58           HB2      PHE  58  -2.943   2.806   2.723
  409    HB3  PHE  58           HB3      PHE  58  -3.672   1.255   2.368
  410    HD1  PHE  58           HD1      PHE  58  -2.603  -0.846   3.046
  411    HD2  PHE  58           HD2      PHE  58  -0.811   2.968   3.892
  412    HE1  PHE  58           HE1      PHE  58  -1.150  -1.906   4.766
  413    HE2  PHE  58           HE2      PHE  58   0.601   1.929   5.621
  414    HZ   PHE  58           HZ       PHE  58   0.441  -0.529   6.062
  415    H    VAL  59           H        VAL  59  -4.428   0.927   0.133
  416    HA   VAL  59           HA       VAL  59  -5.482   3.510  -0.861
  417    HB   VAL  59           HB       VAL  59  -5.411   0.977  -2.559
  418   HG11  VAL  59          HG11      VAL  59  -6.296   2.457  -4.312
  419   HG12  VAL  59          HG12      VAL  59  -7.378   2.458  -2.902
  420   HG13  VAL  59          HG13      VAL  59  -6.274   3.828  -3.180
  421   HG21  VAL  59          HG21      VAL  59  -3.822   3.557  -2.874
  422   HG22  VAL  59          HG22      VAL  59  -3.154   1.949  -2.491
  423   HG23  VAL  59          HG23      VAL  59  -3.912   2.240  -4.064
  424    H    GLU  60           H        GLU  60  -7.340   3.650   0.372
  425    HA   GLU  60           HA       GLU  60  -8.881   1.247   1.006
  426    HB2  GLU  60           HB2      GLU  60  -9.536   4.215   1.278
  427    HB3  GLU  60           HB3      GLU  60 -10.569   2.882   1.827
  428    HG2  GLU  60           HG2      GLU  60  -8.590   2.053   3.200
  429    HG3  GLU  60           HG3      GLU  60  -7.805   3.607   2.857
  430    H    LEU  61           H        LEU  61 -10.946   0.707   0.142
  431    HA   LEU  61           HA       LEU  61 -11.566   1.997  -2.484
  432    HB2  LEU  61           HB2      LEU  61 -11.981  -0.926  -1.888
  433    HB3  LEU  61           HB3      LEU  61 -11.953  -0.117  -3.452
  434    HG   LEU  61           HG       LEU  61  -9.465  -0.270  -1.687
  435   HD11  LEU  61          HD11      LEU  61  -8.782  -2.192  -2.977
  436   HD12  LEU  61          HD12      LEU  61 -10.335  -2.520  -2.162
  437   HD13  LEU  61          HD13      LEU  61 -10.299  -2.139  -3.904
  438   HD21  LEU  61          HD21      LEU  61  -9.892   0.144  -4.681
  439   HD22  LEU  61          HD22      LEU  61  -9.464   1.415  -3.514
  440   HD23  LEU  61          HD23      LEU  61  -8.322   0.098  -3.843
  441    H    GLY  62           H        GLY  62 -13.880   0.524  -3.046
  442    HA2  GLY  62           HA2      GLY  62 -15.658   1.569  -0.883
  443    HA3  GLY  62           HA3      GLY  62 -15.985   1.674  -2.619
  444    H    SER  63           H        SER  63 -14.939  -1.245  -2.951
  445    HA   SER  63           HA       SER  63 -17.066  -2.729  -1.525
  446    HB2  SER  63           HB2      SER  63 -16.912  -2.510  -4.562
  447    HB3  SER  63           HB3      SER  63 -17.934  -3.654  -3.669
  448    HG   SER  63           HG       SER  63 -18.060  -0.822  -3.536
  449    H    GLU  64           H        GLU  64 -16.976  -5.090  -2.057
  450    HA   GLU  64           HA       GLU  64 -14.361  -6.178  -1.820
  451    HB2  GLU  64           HB2      GLU  64 -16.409  -7.348  -1.104
  452    HB3  GLU  64           HB3      GLU  64 -16.997  -7.394  -2.773
  453    HG2  GLU  64           HG2      GLU  64 -15.127  -8.820  -3.443
  454    HG3  GLU  64           HG3      GLU  64 -14.429  -8.722  -1.815
  455    H    ASP  65           H        ASP  65 -16.386  -5.425  -4.671
  456    HA   ASP  65           HA       ASP  65 -14.878  -7.026  -6.484
  457    HB2  ASP  65           HB2      ASP  65 -17.171  -6.077  -6.869
  458    HB3  ASP  65           HB3      ASP  65 -16.447  -4.469  -7.022
  459    H    ASP  66           H        ASP  66 -14.318  -3.817  -5.065
  460    HA   ASP  66           HA       ASP  66 -12.348  -3.024  -7.046
  461    HB2  ASP  66           HB2      ASP  66 -12.926  -2.050  -4.217
  462    HB3  ASP  66           HB3      ASP  66 -11.879  -1.242  -5.385
  463    H    VAL  67           H        VAL  67 -12.275  -4.514  -3.747
  464    HA   VAL  67           HA       VAL  67  -9.392  -4.399  -3.613
  465    HB   VAL  67           HB       VAL  67 -10.414  -4.523  -1.537
  466   HG11  VAL  67          HG11      VAL  67 -12.626  -5.228  -2.120
  467   HG12  VAL  67          HG12      VAL  67 -12.048  -6.906  -2.392
  468   HG13  VAL  67          HG13      VAL  67 -11.999  -6.178  -0.770
  469   HG21  VAL  67          HG21      VAL  67  -8.473  -6.089  -1.755
  470   HG22  VAL  67          HG22      VAL  67  -9.636  -6.555  -0.491
  471   HG23  VAL  67          HG23      VAL  67  -9.636  -7.409  -2.047
  472    H    LYS  68           H        LYS  68 -11.740  -6.886  -4.717
  473    HA   LYS  68           HA       LYS  68  -9.793  -8.897  -5.198
  474    HB2  LYS  68           HB2      LYS  68 -12.476  -8.239  -6.466
  475    HB3  LYS  68           HB3      LYS  68 -11.549  -9.705  -6.845
  476    HG2  LYS  68           HG2      LYS  68 -11.627 -10.451  -4.545
  477    HG3  LYS  68           HG3      LYS  68 -12.319  -8.915  -4.007
  478    HD2  LYS  68           HD2      LYS  68 -14.065 -10.607  -4.115
  479    HD3  LYS  68           HD3      LYS  68 -14.358  -9.357  -5.347
  480    HE2  LYS  68           HE2      LYS  68 -13.373 -10.815  -7.061
  481    HE3  LYS  68           HE3      LYS  68 -13.050 -12.053  -5.829
  482    HZ1  LYS  68           HZ1      LYS  68 -15.415 -12.193  -5.449
  483    HZ2  LYS  68           HZ2      LYS  68 -15.710 -11.056  -6.601
  484    HZ3  LYS  68           HZ3      LYS  68 -15.073 -12.509  -7.027
  485    H    MET  69           H        MET  69 -10.981  -6.188  -7.265
  486    HA   MET  69           HA       MET  69  -9.488  -6.959  -9.581
  487    HB2  MET  69           HB2      MET  69 -10.808  -4.406  -8.634
  488    HB3  MET  69           HB3      MET  69  -9.819  -4.427 -10.098
  489    HG2  MET  69           HG2      MET  69 -11.176  -6.385 -10.915
  490    HG3  MET  69           HG3      MET  69 -12.275  -6.125  -9.561
  491    HE1  MET  69           HE1      MET  69 -12.165  -2.816  -9.478
  492    HE2  MET  69           HE2      MET  69 -13.656  -2.500 -10.393
  493    HE3  MET  69           HE3      MET  69 -13.613  -3.815  -9.200
  494    H    ALA  70           H        ALA  70  -8.596  -5.060  -6.687
  495    HA   ALA  70           HA       ALA  70  -6.208  -3.963  -7.898
  496    HB1  ALA  70           HB1      ALA  70  -7.358  -2.896  -6.008
  497    HB2  ALA  70           HB2      ALA  70  -7.040  -4.321  -4.994
  498    HB3  ALA  70           HB3      ALA  70  -5.687  -3.314  -5.566
  499    H    LEU  71           H        LEU  71  -7.019  -6.998  -6.300
  500    HA   LEU  71           HA       LEU  71  -4.237  -7.732  -5.801
  501    HB2  LEU  71           HB2      LEU  71  -6.853  -9.266  -5.622
  502    HB3  LEU  71           HB3      LEU  71  -5.281  -9.870  -5.059
  503    HG   LEU  71           HG       LEU  71  -6.562  -7.289  -4.060
  504   HD11  LEU  71          HD11      LEU  71  -6.492 -10.044  -2.789
  505   HD12  LEU  71          HD12      LEU  71  -7.098  -8.556  -2.014
  506   HD13  LEU  71          HD13      LEU  71  -7.934  -9.222  -3.442
  507   HD21  LEU  71          HD21      LEU  71  -4.216  -8.909  -3.037
  508   HD22  LEU  71          HD22      LEU  71  -4.150  -7.311  -3.830
  509   HD23  LEU  71          HD23      LEU  71  -4.942  -7.481  -2.252
  510    H    LYS  72           H        LYS  72  -6.366  -7.860  -8.519
  511    HA   LYS  72           HA       LYS  72  -5.299 -10.212  -9.786
  512    HB2  LYS  72           HB2      LYS  72  -6.467  -7.725 -11.075
  513    HB3  LYS  72           HB3      LYS  72  -6.235  -9.297 -11.853
  514    HG2  LYS  72           HG2      LYS  72  -8.121  -8.639  -9.577
  515    HG3  LYS  72           HG3      LYS  72  -8.556  -9.085 -11.229
  516    HD2  LYS  72           HD2      LYS  72  -7.603 -11.347 -10.879
  517    HD3  LYS  72           HD3      LYS  72  -7.127 -10.893  -9.227
  518    HE2  LYS  72           HE2      LYS  72  -9.185 -12.138  -9.114
  519    HE3  LYS  72           HE3      LYS  72  -9.491 -10.455  -8.662
  520    HZ1  LYS  72           HZ1      LYS  72 -11.163 -11.312 -10.163
  521    HZ2  LYS  72           HZ2      LYS  72 -10.337 -10.084 -10.885
  522    HZ3  LYS  72           HZ3      LYS  72 -10.032 -11.645 -11.306
  523    H    LYS  73           H        LYS  73  -3.686  -7.300  -9.110
  524    HA   LYS  73           HA       LYS  73  -1.648  -7.909 -11.183
  525    HB2  LYS  73           HB2      LYS  73  -1.346  -5.549 -11.632
  526    HB3  LYS  73           HB3      LYS  73  -2.994  -6.032 -12.019
  527    HG2  LYS  73           HG2      LYS  73  -2.263  -4.792  -9.340
  528    HG3  LYS  73           HG3      LYS  73  -2.500  -3.816 -10.784
  529    HD2  LYS  73           HD2      LYS  73  -4.578  -5.630  -9.513
  530    HD3  LYS  73           HD3      LYS  73  -4.533  -3.875  -9.450
  531    HE2  LYS  73           HE2      LYS  73  -4.993  -5.634 -11.890
  532    HE3  LYS  73           HE3      LYS  73  -6.141  -4.524 -11.123
  533    HZ1  LYS  73           HZ1      LYS  73  -4.674  -2.708 -11.779
  534    HZ2  LYS  73           HZ2      LYS  73  -3.674  -3.764 -12.540
  535    HZ3  LYS  73           HZ3      LYS  73  -5.213  -3.559 -13.082
  536    H    ASP  74           H        ASP  74  -2.016  -8.531  -8.367
  537    HA   ASP  74           HA       ASP  74  -0.685  -6.997  -6.533
  538    HB2  ASP  74           HB2      ASP  74  -0.545  -8.977  -5.219
  539    HB3  ASP  74           HB3      ASP  74  -2.018  -9.092  -6.189
  540    H    ARG  75           H        ARG  75   0.986  -8.465  -9.198
  541    HA   ARG  75           HA       ARG  75   3.436  -7.371  -8.124
  542    HB2  ARG  75           HB2      ARG  75   4.778  -9.392  -8.159
  543    HB3  ARG  75           HB3      ARG  75   3.517  -9.421  -6.925
  544    HG2  ARG  75           HG2      ARG  75   2.122 -10.866  -8.352
  545    HG3  ARG  75           HG3      ARG  75   3.404 -10.860  -9.603
  546    HD2  ARG  75           HD2      ARG  75   5.005 -11.703  -7.892
  547    HD3  ARG  75           HD3      ARG  75   3.688 -11.763  -6.713
  548    HE   ARG  75           HE       ARG  75   4.278 -13.662  -8.848
  549   HH11  ARG  75          HH11      ARG  75   1.627 -12.401  -6.838
  550   HH12  ARG  75          HH12      ARG  75   0.701 -13.874  -6.979
  551   HH21  ARG  75          HH21      ARG  75   3.014 -15.535  -9.011
  552   HH22  ARG  75          HH22      ARG  75   1.459 -15.617  -8.217
  553    H    GLU  76           H        GLU  76   1.779  -6.900 -10.459
  554    HA   GLU  76           HA       GLU  76   3.727  -7.652 -12.602
  555    HB2  GLU  76           HB2      GLU  76   1.959  -7.425 -14.213
  556    HB3  GLU  76           HB3      GLU  76   1.543  -8.628 -12.980
  557    HG2  GLU  76           HG2      GLU  76   0.105  -7.001 -11.841
  558    HG3  GLU  76           HG3      GLU  76   0.594  -5.744 -12.961
  559    H    SER  77           H        SER  77   3.016  -5.772 -14.552
  560    HA   SER  77           HA       SER  77   4.429  -3.497 -13.218
  561    HB2  SER  77           HB2      SER  77   4.877  -4.798 -15.920
  562    HB3  SER  77           HB3      SER  77   5.774  -3.393 -15.297
  563    HG   SER  77           HG       SER  77   6.844  -5.407 -14.950
  564    H    MET  78           H        MET  78   4.197  -1.417 -13.982
  565    HA   MET  78           HA       MET  78   1.768  -0.684 -15.372
  566    HB2  MET  78           HB2      MET  78   4.291   0.771 -14.515
  567    HB3  MET  78           HB3      MET  78   3.031   1.578 -15.461
  568    HG2  MET  78           HG2      MET  78   1.386   1.238 -13.753
  569    HG3  MET  78           HG3      MET  78   2.465   0.193 -12.825
  570    HE1  MET  78           HE1      MET  78   0.824   2.911 -11.763
  571    HE2  MET  78           HE2      MET  78   1.675   1.714 -10.758
  572    HE3  MET  78           HE3      MET  78   2.045   3.449 -10.595
  573    H    GLY  79           H        GLY  79   5.092  -1.419 -16.389
  574    HA2  GLY  79           HA2      GLY  79   4.687  -2.062 -18.949
  575    HA3  GLY  79           HA3      GLY  79   4.580  -0.299 -19.062
  576    H    HIS  80           H        HIS  80   6.771  -0.561 -16.638
  577    HA   HIS  80           HA       HIS  80   9.087  -1.231 -18.353
  578    HB2  HIS  80           HB2      HIS  80   8.460   1.174 -18.741
  579    HB3  HIS  80           HB3      HIS  80   8.796   1.487 -17.036
  580    HD1  HIS  80           HD1      HIS  80  10.550   0.985 -20.360
  581    HD2  HIS  80           HD2      HIS  80  11.437   1.261 -16.265
  582    HE1  HIS  80           HE1      HIS  80  13.069   1.363 -20.187
  583    H    ARG  81           H        ARG  81   7.621  -0.826 -15.221
  584    HA   ARG  81           HA       ARG  81   9.803  -2.366 -14.015
  585    HB2  ARG  81           HB2      ARG  81  10.419   0.069 -13.726
  586    HB3  ARG  81           HB3      ARG  81   8.917   0.296 -12.807
  587    HG2  ARG  81           HG2      ARG  81   9.658  -1.329 -11.139
  588    HG3  ARG  81           HG3      ARG  81  11.079  -1.745 -12.121
  589    HD2  ARG  81           HD2      ARG  81  11.916   0.569 -11.867
  590    HD3  ARG  81           HD3      ARG  81  10.514   0.961 -10.846
  591    HE   ARG  81           HE       ARG  81  11.455  -1.135  -9.499
  592   HH11  ARG  81          HH11      ARG  81  13.229   1.607 -10.864
  593   HH12  ARG  81          HH12      ARG  81  14.536   1.479  -9.709
  594   HH21  ARG  81          HH21      ARG  81  13.181  -1.304  -8.049
  595   HH22  ARG  81          HH22      ARG  81  14.502  -0.159  -8.107
  596    H    TYR  82           H        TYR  82   9.000  -3.091 -11.692
  597    HA   TYR  82           HA       TYR  82   6.134  -3.611 -12.168
  598    HB2  TYR  82           HB2      TYR  82   6.294  -5.718 -11.759
  599    HB3  TYR  82           HB3      TYR  82   7.917  -5.446 -12.355
  600    HD1  TYR  82           HD1      TYR  82   9.871  -5.473 -10.652
  601    HD2  TYR  82           HD2      TYR  82   5.807  -6.477  -9.618
  602    HE1  TYR  82           HE1      TYR  82  10.678  -6.811  -8.748
  603    HE2  TYR  82           HE2      TYR  82   6.612  -7.781  -7.674
  604    HH   TYR  82           HH       TYR  82   8.452  -8.496  -6.495
  605    H    ILE  83           H        ILE  83   4.696  -4.113 -10.532
  606    HA   ILE  83           HA       ILE  83   5.051  -2.255  -8.224
  607    HB   ILE  83           HB       ILE  83   2.626  -2.763 -10.007
  608   HG12  ILE  83          HG12      ILE  83   2.623  -0.355 -10.420
  609   HG13  ILE  83          HG13      ILE  83   4.101  -0.160  -9.477
  610   HG21  ILE  83          HG21      ILE  83   1.537  -0.979  -8.592
  611   HG22  ILE  83          HG22      ILE  83   1.802  -2.508  -7.753
  612   HG23  ILE  83          HG23      ILE  83   2.893  -1.130  -7.455
  613   HD11  ILE  83          HD11      ILE  83   3.946  -1.908 -11.952
  614   HD12  ILE  83          HD12      ILE  83   4.349  -0.177 -12.012
  615   HD13  ILE  83          HD13      ILE  83   5.406  -1.271 -11.137
  616    H    GLU  84           H        GLU  84   3.559  -2.870  -6.412
  617    HA   GLU  84           HA       GLU  84   2.794  -5.736  -6.433
  618    HB2  GLU  84           HB2      GLU  84   4.891  -4.403  -4.781
  619    HB3  GLU  84           HB3      GLU  84   3.761  -5.481  -3.916
  620    HG2  GLU  84           HG2      GLU  84   4.243  -7.259  -5.614
  621    HG3  GLU  84           HG3      GLU  84   5.448  -6.181  -6.345
  622    H    VAL  85           H        VAL  85   1.081  -6.255  -5.118
  623    HA   VAL  85           HA       VAL  85  -0.249  -4.096  -3.591
  624    HB   VAL  85           HB       VAL  85  -1.856  -5.816  -5.496
  625   HG11  VAL  85          HG11      VAL  85  -2.345  -3.078  -4.270
  626   HG12  VAL  85          HG12      VAL  85  -3.472  -3.981  -5.302
  627   HG13  VAL  85          HG13      VAL  85  -3.051  -4.614  -3.704
  628   HG21  VAL  85          HG21      VAL  85  -0.625  -3.121  -6.150
  629   HG22  VAL  85          HG22      VAL  85  -0.301  -4.672  -6.974
  630   HG23  VAL  85          HG23      VAL  85  -1.905  -3.925  -7.090
  631    H    PHE  86           H        PHE  86  -1.784  -4.982  -2.047
  632    HA   PHE  86           HA       PHE  86  -2.009  -7.896  -1.831
  633    HB2  PHE  86           HB2      PHE  86   0.251  -7.250  -0.938
  634    HB3  PHE  86           HB3      PHE  86  -0.550  -6.326   0.325
  635    HD1  PHE  86           HD1      PHE  86  -0.026  -9.747  -1.081
  636    HD2  PHE  86           HD2      PHE  86  -1.368  -7.421   2.265
  637    HE1  PHE  86           HE1      PHE  86  -0.084 -11.791   0.317
  638    HE2  PHE  86           HE2      PHE  86  -1.416  -9.453   3.675
  639    HZ   PHE  86           HZ       PHE  86  -0.781 -11.654   2.697
  640    H    LYS  87           H        LYS  87  -3.454  -8.506  -0.018
  641    HA   LYS  87           HA       LYS  87  -5.604  -6.579   0.152
  642    HB2  LYS  87           HB2      LYS  87  -5.731  -9.112  -0.121
  643    HB3  LYS  87           HB3      LYS  87  -5.351  -9.236   1.607
  644    HG2  LYS  87           HG2      LYS  87  -7.334  -7.786   2.076
  645    HG3  LYS  87           HG3      LYS  87  -7.680  -7.737   0.335
  646    HD2  LYS  87           HD2      LYS  87  -7.951 -10.199   0.319
  647    HD3  LYS  87           HD3      LYS  87  -7.594 -10.254   2.061
  648    HE2  LYS  87           HE2      LYS  87  -9.556  -8.803   2.503
  649    HE3  LYS  87           HE3      LYS  87  -9.917  -8.762   0.767
  650    HZ1  LYS  87           HZ1      LYS  87  -9.879 -11.182   2.448
  651    HZ2  LYS  87           HZ2      LYS  87 -11.229 -10.408   1.908
  652    HZ3  LYS  87           HZ3      LYS  87 -10.217 -11.142   0.838
  653    H    SER  88           H        SER  88  -6.498  -5.707   2.084
  654    HA   SER  88           HA       SER  88  -4.718  -5.703   4.472
  655    HB2  SER  88           HB2      SER  88  -4.115  -3.778   3.031
  656    HB3  SER  88           HB3      SER  88  -5.792  -3.202   3.123
  657    HG   SER  88           HG       SER  88  -4.367  -2.240   4.684
  658    H    HIS  89           H        HIS  89  -5.877  -4.248   6.227
  659    HA   HIS  89           HA       HIS  89  -8.773  -4.815   6.295
  660    HB2  HIS  89           HB2      HIS  89  -8.399  -5.878   8.609
  661    HB3  HIS  89           HB3      HIS  89  -8.023  -6.853   7.201
  662    HD1  HIS  89           HD1      HIS  89  -6.393  -5.293  10.242
  663    HD2  HIS  89           HD2      HIS  89  -5.329  -7.246   6.677
  664    HE1  HIS  89           HE1      HIS  89  -3.931  -5.944  10.473
  665    H    ARG  90           H        ARG  90  -6.596  -2.527   6.499
  666    HA   ARG  90           HA       ARG  90  -6.769  -0.380   7.163
  667    HB2  ARG  90           HB2      ARG  90  -9.182  -0.578   6.936
  668    HB3  ARG  90           HB3      ARG  90  -9.318  -1.231   8.577
  669    HG2  ARG  90           HG2      ARG  90  -8.433   0.860   9.518
  670    HG3  ARG  90           HG3      ARG  90  -8.278   1.545   7.890
  671    HD2  ARG  90           HD2      ARG  90 -10.884   0.562   9.115
  672    HD3  ARG  90           HD3      ARG  90 -10.350   2.251   9.122
  673    HE   ARG  90           HE       ARG  90 -10.279   1.976   6.550
  674   HH11  ARG  90          HH11      ARG  90 -12.626   0.338   8.638
  675   HH12  ARG  90          HH12      ARG  90 -13.838   0.245   7.384
  676   HH21  ARG  90          HH21      ARG  90 -11.846   1.873   4.981
  677   HH22  ARG  90          HH22      ARG  90 -13.394   1.107   5.290
  678    H    THR  91           H        THR  91  -7.094  -2.845   9.736
  679    HA   THR  91           HA       THR  91  -6.260  -1.121  11.868
  680    HB   THR  91           HB       THR  91  -5.888  -4.128  11.548
  681    HG1  THR  91           HG1      THR  91  -7.860  -4.185  12.692
  682   HG21  THR  91          HG21      THR  91  -5.927  -4.106  14.036
  683   HG22  THR  91          HG22      THR  91  -4.546  -3.205  13.379
  684   HG23  THR  91          HG23      THR  91  -5.962  -2.324  14.003
  685    H    GLU  92           H        GLU  92  -4.446  -3.192   9.546
  686    HA   GLU  92           HA       GLU  92  -1.846  -2.572  10.679
  687    HB2  GLU  92           HB2      GLU  92  -2.334  -4.544   9.205
  688    HB3  GLU  92           HB3      GLU  92  -2.644  -3.419   7.856
  689    HG2  GLU  92           HG2      GLU  92  -0.347  -2.554   8.034
  690    HG3  GLU  92           HG3      GLU  92  -0.038  -3.594   9.431
  691    H    MET  93           H        MET  93  -3.909  -1.157   8.119
  692    HA   MET  93           HA       MET  93  -1.962   0.562   7.024
  693    HB2  MET  93           HB2      MET  93  -4.169   0.129   6.007
  694    HB3  MET  93           HB3      MET  93  -4.957   0.988   7.350
  695    HG2  MET  93           HG2      MET  93  -3.734   3.050   6.759
  696    HG3  MET  93           HG3      MET  93  -2.936   2.203   5.435
  697    HE1  MET  93           HE1      MET  93  -6.184   3.614   6.920
  698    HE2  MET  93           HE2      MET  93  -7.414   3.314   5.665
  699    HE3  MET  93           HE3      MET  93  -6.735   1.955   6.587
  700    H    ASP  94           H        ASP  94  -4.245   1.075   9.765
  701    HA   ASP  94           HA       ASP  94  -3.524   3.793  10.190
  702    HB2  ASP  94           HB2      ASP  94  -5.568   2.439  10.971
  703    HB3  ASP  94           HB3      ASP  94  -4.540   1.884  12.293
  704    H    TRP  95           H        TRP  95  -2.143   0.737  11.260
  705    HA   TRP  95           HA       TRP  95  -0.682   1.744  13.524
  706    HB2  TRP  95           HB2      TRP  95  -1.392  -0.591  13.252
  707    HB3  TRP  95           HB3      TRP  95  -0.359  -0.755  11.837
  708    HD1  TRP  95           HD1      TRP  95  -0.227  -0.694  15.630
  709    HE1  TRP  95           HE1      TRP  95   2.073  -1.446  16.440
  710    HE3  TRP  95           HE3      TRP  95   2.187  -0.845  11.132
  711    HZ2  TRP  95           HZ2      TRP  95   4.671  -2.003  15.278
  712    HZ3  TRP  95           HZ3      TRP  95   4.573  -1.461  11.009
  713    HH2  TRP  95           HH2      TRP  95   5.828  -2.046  13.073
  714    H    VAL  96           H        VAL  96   0.013   1.666  10.067
  715    HA   VAL  96           HA       VAL  96   2.851   2.423  10.663
  716    HB   VAL  96           HB       VAL  96   2.676   0.323   9.454
  717   HG11  VAL  96          HG11      VAL  96   0.942   1.903   7.580
  718   HG12  VAL  96          HG12      VAL  96   1.783   0.397   7.115
  719   HG13  VAL  96          HG13      VAL  96   0.591   0.376   8.428
  720   HG21  VAL  96          HG21      VAL  96   4.057   0.810   7.540
  721   HG22  VAL  96          HG22      VAL  96   3.533   2.503   7.531
  722   HG23  VAL  96          HG23      VAL  96   4.536   1.884   8.869
  723    H    LEU  97           H        LEU  97  -0.190   3.602   9.454
  724    HA   LEU  97           HA       LEU  97   0.891   5.743   7.855
  725    HB2  LEU  97           HB2      LEU  97  -1.686   4.783   8.808
  726    HB3  LEU  97           HB3      LEU  97  -1.582   6.525   9.027
  727    HG   LEU  97           HG       LEU  97  -2.599   5.934   6.891
  728   HD11  LEU  97          HD11      LEU  97   0.160   7.175   6.531
  729   HD12  LEU  97          HD12      LEU  97  -1.222   7.352   5.435
  730   HD13  LEU  97          HD13      LEU  97  -1.301   8.032   7.078
  731   HD21  LEU  97          HD21      LEU  97  -1.362   4.878   5.097
  732   HD22  LEU  97          HD22      LEU  97   0.077   4.707   6.127
  733   HD23  LEU  97          HD23      LEU  97  -1.407   3.796   6.493
  734    H    LYS  98           H        LYS  98   1.311   5.104  11.110
  735    HA   LYS  98           HA       LYS  98   1.661   7.988  11.754
  736    HB2  LYS  98           HB2      LYS  98   0.496   5.818  13.532
  737    HB3  LYS  98           HB3      LYS  98   0.913   7.464  14.036
  738    HG2  LYS  98           HG2      LYS  98  -0.678   8.341  12.280
  739    HG3  LYS  98           HG3      LYS  98  -1.194   6.659  11.992
  740    HD2  LYS  98           HD2      LYS  98  -1.763   6.461  14.420
  741    HD3  LYS  98           HD3      LYS  98  -1.281   8.159  14.638
  742    HE2  LYS  98           HE2      LYS  98  -3.701   8.047  14.441
  743    HE3  LYS  98           HE3      LYS  98  -3.035   8.843  13.003
  744    HZ1  LYS  98           HZ1      LYS  98  -3.243   6.752  11.837
  745    HZ2  LYS  98           HZ2      LYS  98  -3.855   6.014  13.175
  746    HZ3  LYS  98           HZ3      LYS  98  -4.703   7.214  12.437
  747    H    HIS  99           H        HIS  99   3.200   5.084  11.277
  748    HA   HIS  99           HA       HIS  99   5.573   5.950  12.743
  749    HB2  HIS  99           HB2      HIS  99   4.307   4.753  14.501
  750    HB3  HIS  99           HB3      HIS  99   4.133   3.354  13.433
  751    HD1  HIS  99           HD1      HIS  99   6.152   1.652  13.429
  752    HD2  HIS  99           HD2      HIS  99   6.896   5.314  15.357
  753    HE1  HIS  99           HE1      HIS  99   8.408   1.413  14.600
  754    H    SER 100           H        SER 100   7.435   5.095  11.795
  755    HA   SER 100           HA       SER 100   7.304   2.787  10.023
  756    HB2  SER 100           HB2      SER 100   6.377   4.679   8.636
  757    HB3  SER 100           HB3      SER 100   7.930   5.518   8.835
  758    HG   SER 100           HG       SER 100   7.829   4.277   6.907
  759    H    GLY 101           H        GLY 101   9.628   3.008   8.659
  760    HA2  GLY 101           HA2      GLY 101  11.737   4.077  10.371
  761    HA3  GLY 101           HA3      GLY 101  11.650   2.310  10.331
  762    HA   PRO 102           HA       PRO 102  14.145   4.080   6.716
  763    HB2  PRO 102           HB2      PRO 102  16.606   3.087   7.388
  764    HB3  PRO 102           HB3      PRO 102  15.969   4.638   8.025
  765    HG2  PRO 102           HG2      PRO 102  15.902   1.914   9.353
  766    HG3  PRO 102           HG3      PRO 102  16.440   3.477  10.059
  767    HD2  PRO 102           HD2      PRO 102  13.929   2.511  10.476
  768    HD3  PRO 102           HD3      PRO 102  14.212   4.263  10.230
  769    H5'    A   1           H5'        A   1  18.342  -2.888   1.349
  770   H5''    A   1          H5''        A   1  17.942  -1.172   1.326
  771    H4'    A   1           H4'        A   1  16.909  -3.250   3.311
  772    H3'    A   1           H3'        A   1  16.004  -2.297   0.710
  773    H2'    A   1           H2'        A   1  14.134  -1.034   1.269
  774   HO2'    A   1          HO2'        A   1  13.258  -2.909   2.464
  775    H1'    A   1           H1'        A   1  14.686  -0.157   3.759
  776    H8     A   1           H8         A   1  17.987   0.458   2.541
  777    H61    A   1           H61        A   1  15.759   5.363  -0.549
  778    H62    A   1           H62        A   1  17.223   4.567  -0.007
  779    H2     A   1           H2         A   1  12.349   2.843   0.728
  780   HO5'    A   1          HO5'        A   1  19.285  -2.597   3.406
  781    H5'    G   2           H5'        G   2  17.928  -4.889  -1.051
  782   H5''    G   2          H5''        G   2  17.416  -3.310  -0.416
  783    H4'    G   2           H4'        G   2  15.911  -4.336  -2.772
  784    H3'    G   2           H3'        G   2  18.824  -3.652  -2.855
  785    H2'    G   2           H2'        G   2  18.393  -1.793  -3.976
  786   HO2'    G   2          HO2'        G   2  18.646  -3.108  -5.867
  787    H1'    G   2           H1'        G   2  15.524  -2.738  -4.288
  788    H8     G   2           H8         G   2  17.902   0.267  -3.963
  789    H1     G   2           H1         G   2  11.937   1.500  -6.015
  790    H21    G   2           H21        G   2  10.687  -0.261  -5.771
  791    H22    G   2           H22        G   2  11.284  -1.759  -5.088
  792    H5'    G   3           H5'        G   3  14.537  -5.986  -3.157
  793   H5''    G   3          H5''        G   3  14.772  -7.709  -2.857
  794    H4'    G   3           H4'        G   3  13.103  -7.950  -4.320
  795    H3'    G   3           H3'        G   3  15.529  -7.982  -5.957
  796    H2'    G   3           H2'        G   3  14.689  -6.285  -7.309
  797   HO2'    G   3          HO2'        G   3  13.165  -8.577  -8.037
  798    H1'    G   3           H1'        G   3  11.903  -7.152  -6.449
  799    H8     G   3           H8         G   3  13.997  -4.595  -8.286
  800    H1     G   3           H1         G   3   7.828  -3.005  -7.708
  801    H21    G   3           H21        G   3   6.838  -4.353  -6.224
  802    H22    G   3           H22        G   3   7.722  -5.652  -5.442
  803    H5'    G   4           H5'        G   4  12.608 -11.524  -3.416
  804   H5''    G   4          H5''        G   4  12.095  -9.913  -3.964
  805    H4'    G   4           H4'        G   4  13.529 -10.375  -1.314
  806    H3'    G   4           H3'        G   4  11.129 -11.533  -1.747
  807    H2'    G   4           H2'        G   4  10.181  -9.585  -2.818
  808   HO2'    G   4          HO2'        G   4   8.800 -10.287  -1.001
  809    H1'    G   4           H1'        G   4  11.178  -8.027  -0.452
  810    H8     G   4           H8         G   4   8.944  -7.871  -3.103
  811    H1     G   4           H1         G   4  12.233  -2.371  -2.993
  812    H21    G   4           H21        G   4  14.024  -2.598  -1.717
  813    H22    G   4           H22        G   4  14.405  -4.110  -0.918
  814    H5'    A   5           H5'        A   5   9.078  -9.800   1.439
  815   H5''    A   5          H5''        A   5   8.931 -11.016   2.717
  816    H4'    A   5           H4'        A   5   6.763 -10.133   2.195
  817    H3'    A   5           H3'        A   5   7.197 -12.792   2.427
  818    H2'    A   5           H2'        A   5   7.745 -13.159   0.126
  819   HO2'    A   5          HO2'        A   5   6.006 -14.581   0.677
  820    H1'    A   5           H1'        A   5   5.349 -11.543  -0.706
  821    H8     A   5           H8         A   5   8.886 -12.651  -1.453
  822    H61    A   5           H61        A   5   7.725 -10.837  -7.290
  823    H62    A   5           H62        A   5   8.865 -11.684  -6.263
  824    H2     A   5           H2         A   5   4.394  -9.466  -4.681
  825    H5'    U   6           H5'        U   6   5.965  -8.728   3.104
  826   H5''    U   6          H5''        U   6   4.500  -8.432   4.054
  827    H4'    U   6           H4'        U   6   4.846  -6.632   2.406
  828    H3'    U   6           H3'        U   6   2.507  -8.497   1.927
  829   HO3'    U   6          HO3'        U   6   2.783  -5.865   3.005
  830    H2'    U   6           H2'        U   6   1.868  -7.124   0.145
  831   HO2'    U   6          HO2'        U   6   2.208  -5.067   1.181
  832    H1'    U   6           H1'        U   6   4.399  -6.669  -0.859
  833    H3     U   6           H3         U   6   1.498  -9.008  -3.586
  834    H5     U   6           H5         U   6   3.477 -11.838  -1.183
  835    H6     U   6           H6         U   6   4.406 -10.024   0.090
  Start of MODEL   12
    1    H    MET   1           H        MET   1   5.510  -6.808  19.406
    2    HA   MET   1           HA       MET   1   4.573  -8.931  19.941
    3    HB2  MET   1           HB2      MET   1   3.693  -7.501  22.481
    4    HB3  MET   1           HB3      MET   1   3.117  -9.094  21.949
    5    HG2  MET   1           HG2      MET   1   5.427  -9.960  22.010
    6    HG3  MET   1           HG3      MET   1   6.013  -8.376  22.526
    7    HE1  MET   1           HE1      MET   1   2.751 -10.358  23.702
    8    HE2  MET   1           HE2      MET   1   4.018 -11.587  23.463
    9    HE3  MET   1           HE3      MET   1   3.420 -11.229  25.099
   10    H    MET   2           H        MET   2   2.606  -9.356  19.020
   11    HA   MET   2           HA       MET   2   0.572  -7.210  18.833
   12    HB2  MET   2           HB2      MET   2   1.966  -8.554  16.479
   13    HB3  MET   2           HB3      MET   2   0.434  -7.679  16.341
   14    HG2  MET   2           HG2      MET   2   3.039  -6.471  17.330
   15    HG3  MET   2           HG3      MET   2   2.384  -6.306  15.701
   16    HE1  MET   2           HE1      MET   2   3.293  -3.867  17.463
   17    HE2  MET   2           HE2      MET   2   2.625  -3.715  15.823
   18    HE3  MET   2           HE3      MET   2   1.978  -2.711  17.142
   19    H    LEU   3           H        LEU   3  -1.413  -8.105  17.689
   20    HA   LEU   3           HA       LEU   3  -1.727 -11.020  17.904
   21    HB2  LEU   3           HB2      LEU   3  -2.366  -9.426  20.064
   22    HB3  LEU   3           HB3      LEU   3  -3.898  -9.440  19.201
   23    HG   LEU   3           HG       LEU   3  -3.854 -11.193  20.875
   24   HD11  LEU   3          HD11      LEU   3  -4.307 -13.192  19.545
   25   HD12  LEU   3          HD12      LEU   3  -5.011 -11.760  18.768
   26   HD13  LEU   3          HD13      LEU   3  -3.503 -12.472  18.134
   27   HD21  LEU   3          HD21      LEU   3  -1.391 -11.446  21.014
   28   HD22  LEU   3          HD22      LEU   3  -2.229 -13.006  20.872
   29   HD23  LEU   3          HD23      LEU   3  -1.399 -12.315  19.464
   30    H    GLY   4           H        GLY   4  -1.805  -8.588  15.932
   31    HA2  GLY   4           HA2      GLY   4  -3.858  -9.660  14.230
   32    HA3  GLY   4           HA3      GLY   4  -4.348  -8.106  14.932
   33    HA   PRO   5           HA       PRO   5  -0.529  -6.716  12.518
   34    HB2  PRO   5           HB2      PRO   5   1.430  -8.405  11.673
   35    HB3  PRO   5           HB3      PRO   5   1.311  -7.880  13.386
   36    HG2  PRO   5           HG2      PRO   5   0.228 -10.438  12.153
   37    HG3  PRO   5           HG3      PRO   5   1.275 -10.272  13.606
   38    HD2  PRO   5           HD2      PRO   5  -1.433 -10.487  13.813
   39    HD3  PRO   5           HD3      PRO   5  -0.497  -9.402  14.891
   40    H    GLU   6           H        GLU   6  -2.611  -9.142  11.493
   41    HA   GLU   6           HA       GLU   6  -2.441  -8.239   8.707
   42    HB2  GLU   6           HB2      GLU   6  -2.321 -10.519   7.814
   43    HB3  GLU   6           HB3      GLU   6  -0.874 -10.141   8.765
   44    HG2  GLU   6           HG2      GLU   6  -1.836 -11.363  10.705
   45    HG3  GLU   6           HG3      GLU   6  -3.276 -11.746   9.744
   46    H    GLY   7           H        GLY   7  -4.283  -9.280   7.412
   47    HA2  GLY   7           HA2      GLY   7  -6.496 -10.551   8.532
   48    HA3  GLY   7           HA3      GLY   7  -6.739  -8.822   8.826
   49    H    GLY   8           H        GLY   8  -8.652  -9.580   7.372
   50    HA2  GLY   8           HA2      GLY   8  -8.154  -8.501   4.710
   51    HA3  GLY   8           HA3      GLY   8  -8.624 -10.214   4.730
   52    H    GLU   9           H        GLU   9  -9.819  -8.172   7.286
   53    HA   GLU   9           HA       GLU   9 -12.563  -8.711   6.444
   54    HB2  GLU   9           HB2      GLU   9 -11.383  -7.408   8.933
   55    HB3  GLU   9           HB3      GLU   9 -13.099  -7.790   8.683
   56    HG2  GLU   9           HG2      GLU   9 -12.512 -10.190   8.385
   57    HG3  GLU   9           HG3      GLU   9 -10.813  -9.804   8.718
   58    H    GLY  10           H        GLY  10 -11.110  -6.773   4.769
   59    HA2  GLY  10           HA2      GLY  10 -13.091  -4.626   4.923
   60    HA3  GLY  10           HA3      GLY  10 -11.429  -4.112   5.214
   61    H    PHE  11           H        PHE  11 -12.917  -3.107   3.153
   62    HA   PHE  11           HA       PHE  11 -12.076  -4.404   0.651
   63    HB2  PHE  11           HB2      PHE  11 -13.592  -1.812   1.060
   64    HB3  PHE  11           HB3      PHE  11 -13.479  -2.756  -0.422
   65    HD1  PHE  11           HD1      PHE  11 -13.861  -5.515   1.026
   66    HD2  PHE  11           HD2      PHE  11 -15.991  -1.783   1.155
   67    HE1  PHE  11           HE1      PHE  11 -15.929  -6.719   1.661
   68    HE2  PHE  11           HE2      PHE  11 -18.062  -2.989   1.801
   69    HZ   PHE  11           HZ       PHE  11 -18.031  -5.458   2.060
   70    H    VAL  12           H        VAL  12  -9.868  -3.843   1.980
   71    HA   VAL  12           HA       VAL  12  -8.797  -1.334   0.754
   72    HB   VAL  12           HB       VAL  12  -8.272  -2.452   3.542
   73   HG11  VAL  12          HG11      VAL  12  -7.174   0.047   2.188
   74   HG12  VAL  12          HG12      VAL  12  -6.953  -0.399   3.894
   75   HG13  VAL  12          HG13      VAL  12  -6.243  -1.407   2.624
   76   HG21  VAL  12          HG21      VAL  12 -10.448  -1.314   3.399
   77   HG22  VAL  12          HG22      VAL  12  -9.293  -0.326   4.313
   78   HG23  VAL  12          HG23      VAL  12  -9.677   0.093   2.629
   79    H    VAL  13           H        VAL  13  -6.594  -1.464   0.123
   80    HA   VAL  13           HA       VAL  13  -5.315  -4.139   0.399
   81    HB   VAL  13           HB       VAL  13  -4.547  -4.040  -1.940
   82   HG11  VAL  13          HG11      VAL  13  -7.577  -3.982  -1.693
   83   HG12  VAL  13          HG12      VAL  13  -6.620  -4.781  -2.964
   84   HG13  VAL  13          HG13      VAL  13  -6.532  -5.369  -1.292
   85   HG21  VAL  13          HG21      VAL  13  -4.765  -1.636  -2.379
   86   HG22  VAL  13          HG22      VAL  13  -5.690  -2.582  -3.564
   87   HG23  VAL  13          HG23      VAL  13  -6.536  -1.756  -2.236
   88    H    LYS  14           H        LYS  14  -3.051  -4.164   0.105
   89    HA   LYS  14           HA       LYS  14  -1.722  -1.648   0.885
   90    HB2  LYS  14           HB2      LYS  14  -0.384  -4.325   0.412
   91    HB3  LYS  14           HB3      LYS  14   0.109  -3.008   1.492
   92    HG2  LYS  14           HG2      LYS  14  -2.004  -3.507   2.852
   93    HG3  LYS  14           HG3      LYS  14  -2.216  -4.944   1.835
   94    HD2  LYS  14           HD2      LYS  14   0.152  -5.632   2.500
   95    HD3  LYS  14           HD3      LYS  14   0.095  -4.318   3.700
   96    HE2  LYS  14           HE2      LYS  14  -2.070  -5.379   4.557
   97    HE3  LYS  14           HE3      LYS  14  -1.731  -6.742   3.482
   98    HZ1  LYS  14           HZ1      LYS  14  -0.915  -7.177   5.663
   99    HZ2  LYS  14           HZ2      LYS  14   0.383  -7.001   4.664
  100    HZ3  LYS  14           HZ3      LYS  14  -0.050  -5.782   5.695
  101    H    LEU  15           H        LEU  15   0.142  -0.854  -0.361
  102    HA   LEU  15           HA       LEU  15   0.351  -1.888  -3.128
  103    HB2  LEU  15           HB2      LEU  15  -1.291   0.139  -2.653
  104    HB3  LEU  15           HB3      LEU  15   0.196   1.070  -2.526
  105    HG   LEU  15           HG       LEU  15  -0.649   1.315  -4.702
  106   HD11  LEU  15          HD11      LEU  15   1.835   0.887  -4.584
  107   HD12  LEU  15          HD12      LEU  15   1.495  -0.806  -5.047
  108   HD13  LEU  15          HD13      LEU  15   1.099   0.516  -6.157
  109   HD21  LEU  15          HD21      LEU  15  -0.758  -1.718  -4.915
  110   HD22  LEU  15          HD22      LEU  15  -2.154  -0.634  -4.723
  111   HD23  LEU  15          HD23      LEU  15  -1.176  -0.569  -6.208
  112    H    ARG  16           H        ARG  16   2.446  -1.932  -3.783
  113    HA   ARG  16           HA       ARG  16   4.459  -0.258  -2.389
  114    HB2  ARG  16           HB2      ARG  16   4.833  -3.253  -2.765
  115    HB3  ARG  16           HB3      ARG  16   5.885  -2.125  -1.902
  116    HG2  ARG  16           HG2      ARG  16   4.004  -1.764  -0.251
  117    HG3  ARG  16           HG3      ARG  16   3.088  -3.030  -1.087
  118    HD2  ARG  16           HD2      ARG  16   4.872  -4.649  -0.623
  119    HD3  ARG  16           HD3      ARG  16   5.847  -3.385   0.150
  120    HE   ARG  16           HE       ARG  16   3.535  -3.265   1.588
  121   HH11  ARG  16          HH11      ARG  16   5.625  -5.936   0.653
  122   HH12  ARG  16          HH12      ARG  16   5.267  -6.892   2.072
  123   HH21  ARG  16          HH21      ARG  16   3.078  -4.517   3.458
  124   HH22  ARG  16          HH22      ARG  16   3.823  -6.087   3.654
  125    H    GLY  17           H        GLY  17   6.396   0.037  -3.671
  126    HA2  GLY  17           HA2      GLY  17   7.568  -1.101  -5.644
  127    HA3  GLY  17           HA3      GLY  17   6.054  -0.817  -6.519
  128    H    LEU  18           H        LEU  18   7.596   0.221  -7.985
  129    HA   LEU  18           HA       LEU  18   8.552   1.987  -8.987
  130    HB2  LEU  18           HB2      LEU  18   6.879   3.602  -7.033
  131    HB3  LEU  18           HB3      LEU  18   7.685   4.248  -8.460
  132    HG   LEU  18           HG       LEU  18   5.408   2.239  -8.389
  133   HD11  LEU  18          HD11      LEU  18   4.856   4.638  -8.122
  134   HD12  LEU  18          HD12      LEU  18   5.735   5.005  -9.625
  135   HD13  LEU  18          HD13      LEU  18   4.267   4.002  -9.672
  136   HD21  LEU  18          HD21      LEU  18   7.175   3.131 -10.705
  137   HD22  LEU  18          HD22      LEU  18   6.868   1.463 -10.141
  138   HD23  LEU  18          HD23      LEU  18   5.576   2.398 -10.922
  139    HA   PRO  19           HA       PRO  19  12.281   2.946  -7.053
  140    HB2  PRO  19           HB2      PRO  19  13.157   5.168  -8.408
  141    HB3  PRO  19           HB3      PRO  19  13.080   3.521  -9.114
  142    HG2  PRO  19           HG2      PRO  19  11.033   5.743  -9.352
  143    HG3  PRO  19           HG3      PRO  19  11.733   4.734 -10.666
  144    HD2  PRO  19           HD2      PRO  19   9.332   4.133  -9.579
  145    HD3  PRO  19           HD3      PRO  19  10.497   2.832  -9.971
  146    H    TRP  20           H        TRP  20  11.486   3.341  -5.013
  147    HA   TRP  20           HA       TRP  20  11.381   4.387  -3.062
  148    HB2  TRP  20           HB2      TRP  20  12.939   6.646  -4.305
  149    HB3  TRP  20           HB3      TRP  20  12.970   6.093  -2.634
  150    HD1  TRP  20           HD1      TRP  20  15.156   6.228  -5.342
  151    HE1  TRP  20           HE1      TRP  20  16.873   4.350  -5.456
  152    HE3  TRP  20           HE3      TRP  20  12.944   2.925  -2.122
  153    HZ2  TRP  20           HZ2      TRP  20  17.269   1.720  -4.225
  154    HZ3  TRP  20           HZ3      TRP  20  14.099   0.834  -1.524
  155    HH2  TRP  20           HH2      TRP  20  16.175   0.178  -2.658
  156    H    SER  21           H        SER  21   9.588   5.720  -5.539
  157    HA   SER  21           HA       SER  21   8.201   7.524  -3.661
  158    HB2  SER  21           HB2      SER  21   9.434   8.477  -6.281
  159    HB3  SER  21           HB3      SER  21   8.271   9.400  -5.310
  160    HG   SER  21           HG       SER  21   9.760   9.394  -3.611
  161    H    CYS  22           H        CYS  22   6.152   8.289  -4.494
  162    HA   CYS  22           HA       CYS  22   5.033   7.223  -6.952
  163    HB2  CYS  22           HB2      CYS  22   5.044   5.244  -5.382
  164    HB3  CYS  22           HB3      CYS  22   4.021   6.173  -4.270
  165    HG   CYS  22           HG       CYS  22   2.591   4.402  -5.564
  166    H    SER  23           H        SER  23   2.544   7.797  -6.921
  167    HA   SER  23           HA       SER  23   1.846   9.953  -5.039
  168    HB2  SER  23           HB2      SER  23   1.300  11.538  -6.789
  169    HB3  SER  23           HB3      SER  23   3.006  11.080  -6.943
  170    HG   SER  23           HG       SER  23   1.936  11.020  -8.956
  171    H    VAL  24           H        VAL  24  -0.481  10.677  -5.442
  172    HA   VAL  24           HA       VAL  24  -2.052   8.297  -5.431
  173    HB   VAL  24           HB       VAL  24  -3.545   9.520  -4.392
  174   HG11  VAL  24          HG11      VAL  24  -2.958  11.735  -3.576
  175   HG12  VAL  24          HG12      VAL  24  -1.531  10.683  -3.544
  176   HG13  VAL  24          HG13      VAL  24  -1.712  11.908  -4.831
  177   HG21  VAL  24          HG21      VAL  24  -3.521  11.559  -6.615
  178   HG22  VAL  24          HG22      VAL  24  -4.677  10.212  -6.363
  179   HG23  VAL  24          HG23      VAL  24  -4.613  11.542  -5.203
  180    H    GLU  25           H        GLU  25  -1.030  10.349  -8.033
  181    HA   GLU  25           HA       GLU  25  -3.313   9.696  -9.750
  182    HB2  GLU  25           HB2      GLU  25  -0.640  11.044 -10.302
  183    HB3  GLU  25           HB3      GLU  25  -1.974  10.875 -11.460
  184    HG2  GLU  25           HG2      GLU  25  -3.461  12.142  -9.921
  185    HG3  GLU  25           HG3      GLU  25  -2.107  12.349  -8.794
  186    H    ASP  26           H        ASP  26  -0.036   8.429  -9.126
  187    HA   ASP  26           HA       ASP  26  -0.046   6.810 -11.566
  188    HB2  ASP  26           HB2      ASP  26   1.669   6.758  -9.047
  189    HB3  ASP  26           HB3      ASP  26   1.939   5.739 -10.469
  190    H    VAL  27           H        VAL  27  -0.916   6.383  -8.117
  191    HA   VAL  27           HA       VAL  27  -1.191   3.524  -8.373
  192    HB   VAL  27           HB       VAL  27  -0.713   4.687  -6.259
  193   HG11  VAL  27          HG11      VAL  27  -2.441   5.860  -5.029
  194   HG12  VAL  27          HG12      VAL  27  -2.196   6.636  -6.609
  195   HG13  VAL  27          HG13      VAL  27  -3.614   5.596  -6.337
  196   HG21  VAL  27          HG21      VAL  27  -3.349   3.180  -6.148
  197   HG22  VAL  27          HG22      VAL  27  -1.748   2.414  -6.300
  198   HG23  VAL  27          HG23      VAL  27  -2.149   3.359  -4.847
  199    H    GLN  28           H        GLN  28  -3.510   6.296  -8.663
  200    HA   GLN  28           HA       GLN  28  -5.758   4.521  -8.989
  201    HB2  GLN  28           HB2      GLN  28  -6.968   6.512  -9.718
  202    HB3  GLN  28           HB3      GLN  28  -6.009   6.855  -8.267
  203    HG2  GLN  28           HG2      GLN  28  -4.239   7.826  -9.725
  204    HG3  GLN  28           HG3      GLN  28  -5.273   7.582 -11.135
  205   HE21  GLN  28          HE21      GLN  28  -5.759   8.910  -7.774
  206   HE22  GLN  28          HE22      GLN  28  -6.463  10.409  -8.311
  207    H    ASN  29           H        ASN  29  -3.226   5.721 -11.120
  208    HA   ASN  29           HA       ASN  29  -4.513   4.990 -13.601
  209    HB2  ASN  29           HB2      ASN  29  -2.777   6.335 -14.145
  210    HB3  ASN  29           HB3      ASN  29  -1.939   6.007 -12.625
  211   HD21  ASN  29          HD21      ASN  29  -0.539   4.213 -12.421
  212   HD22  ASN  29          HD22      ASN  29   0.182   3.472 -13.830
  213    H    PHE  30           H        PHE  30  -2.847   3.163 -11.072
  214    HA   PHE  30           HA       PHE  30  -2.264   0.953 -12.937
  215    HB2  PHE  30           HB2      PHE  30  -0.550   1.566 -11.438
  216    HB3  PHE  30           HB3      PHE  30  -1.617   1.479 -10.037
  217    HD1  PHE  30           HD1      PHE  30   0.089  -0.550 -12.664
  218    HD2  PHE  30           HD2      PHE  30  -2.012  -0.582  -8.915
  219    HE1  PHE  30           HE1      PHE  30   0.699  -2.933 -12.341
  220    HE2  PHE  30           HE2      PHE  30  -1.440  -2.958  -8.605
  221    HZ   PHE  30           HZ       PHE  30  -0.060  -4.142 -10.309
  222    H    LEU  31           H        LEU  31  -4.468   1.681 -10.197
  223    HA   LEU  31           HA       LEU  31  -5.696  -0.996 -10.517
  224    HB2  LEU  31           HB2      LEU  31  -6.363   1.266  -8.579
  225    HB3  LEU  31           HB3      LEU  31  -7.169  -0.293  -8.671
  226    HG   LEU  31           HG       LEU  31  -5.756  -0.604  -6.898
  227   HD11  LEU  31          HD11      LEU  31  -4.085  -1.595  -9.233
  228   HD12  LEU  31          HD12      LEU  31  -4.048  -2.189  -7.559
  229   HD13  LEU  31          HD13      LEU  31  -5.507  -2.420  -8.546
  230   HD21  LEU  31          HD21      LEU  31  -3.431   0.100  -6.782
  231   HD22  LEU  31          HD22      LEU  31  -3.527   0.753  -8.434
  232   HD23  LEU  31          HD23      LEU  31  -4.509   1.471  -7.138
  233    H    SER  32           H        SER  32  -5.817   0.057 -12.826
  234    HA   SER  32           HA       SER  32  -7.707   2.074 -13.416
  235    HB2  SER  32           HB2      SER  32  -7.332   1.312 -15.749
  236    HB3  SER  32           HB3      SER  32  -5.822   1.505 -14.836
  237    HG   SER  32           HG       SER  32  -5.912  -0.467 -16.020
  238    H    ASP  33           H        ASP  33  -8.612  -0.712 -12.049
  239    HA   ASP  33           HA       ASP  33 -11.142  -0.838 -13.627
  240    HB2  ASP  33           HB2      ASP  33  -9.844  -3.180 -12.190
  241    HB3  ASP  33           HB3      ASP  33 -11.262  -3.215 -13.240
  242    H    CYS  34           H        CYS  34  -9.897   0.344 -10.894
  243    HA   CYS  34           HA       CYS  34 -12.044  -0.684  -9.092
  244    HB2  CYS  34           HB2      CYS  34  -9.162   0.059  -8.468
  245    HB3  CYS  34           HB3      CYS  34 -10.358  -0.497  -7.291
  246    HG   CYS  34           HG       CYS  34 -10.819  -2.799  -8.412
  247    H    THR  35           H        THR  35 -11.940   0.861  -7.023
  248    HA   THR  35           HA       THR  35 -11.802   3.713  -7.859
  249    HB   THR  35           HB       THR  35 -14.048   2.278  -6.383
  250    HG1  THR  35           HG1      THR  35 -14.151   2.161  -8.642
  251   HG21  THR  35          HG21      THR  35 -13.596   5.242  -6.889
  252   HG22  THR  35          HG22      THR  35 -15.128   4.528  -6.322
  253   HG23  THR  35          HG23      THR  35 -13.678   4.415  -5.312
  254    H    ILE  36           H        ILE  36 -10.729   4.898  -6.434
  255    HA   ILE  36           HA       ILE  36  -9.551   3.587  -4.096
  256    HB   ILE  36           HB       ILE  36  -9.007   6.291  -5.390
  257   HG12  ILE  36          HG12      ILE  36  -6.807   4.835  -5.898
  258   HG13  ILE  36          HG13      ILE  36  -7.970   3.504  -5.828
  259   HG21  ILE  36          HG21      ILE  36  -6.796   6.033  -4.170
  260   HG22  ILE  36          HG22      ILE  36  -8.178   6.466  -3.176
  261   HG23  ILE  36          HG23      ILE  36  -7.598   4.781  -3.178
  262   HD11  ILE  36          HD11      ILE  36  -9.331   4.660  -7.590
  263   HD12  ILE  36          HD12      ILE  36  -8.141   5.984  -7.601
  264   HD13  ILE  36          HD13      ILE  36  -7.674   4.353  -8.127
  265    H    HIS  37           H        HIS  37 -12.217   3.843  -3.793
  266    HA   HIS  37           HA       HIS  37 -13.881   4.543  -2.457
  267    HB2  HIS  37           HB2      HIS  37 -12.042   4.017  -0.832
  268    HB3  HIS  37           HB3      HIS  37 -11.736   5.747  -0.722
  269    HD1  HIS  37           HD1      HIS  37 -14.037   3.055   0.556
  270    HD2  HIS  37           HD2      HIS  37 -13.865   7.246   0.357
  271    HE1  HIS  37           HE1      HIS  37 -15.779   3.935   2.206
  272    H    ASP  38           H        ASP  38 -11.744   6.962  -3.682
  273    HA   ASP  38           HA       ASP  38 -13.969   8.821  -4.126
  274    HB2  ASP  38           HB2      ASP  38 -11.499   9.521  -2.494
  275    HB3  ASP  38           HB3      ASP  38 -12.512  10.725  -3.305
  276    H    GLY  39           H        GLY  39 -10.512   7.985  -4.359
  277    HA2  GLY  39           HA2      GLY  39  -9.791   7.521  -6.714
  278    HA3  GLY  39           HA3      GLY  39 -10.413   9.127  -7.109
  279    H    ALA  40           H        ALA  40  -9.609  10.464  -4.837
  280    HA   ALA  40           HA       ALA  40  -6.652  10.349  -4.741
  281    HB1  ALA  40           HB1      ALA  40  -7.251  11.840  -6.628
  282    HB2  ALA  40           HB2      ALA  40  -8.307  12.776  -5.544
  283    HB3  ALA  40           HB3      ALA  40  -6.545  12.771  -5.284
  284    H    ALA  41           H        ALA  41  -9.319  10.135  -3.057
  285    HA   ALA  41           HA       ALA  41  -8.304  11.764  -0.785
  286    HB1  ALA  41           HB1      ALA  41 -11.226  11.389  -1.532
  287    HB2  ALA  41           HB2      ALA  41 -10.599  12.290  -0.140
  288    HB3  ALA  41           HB3      ALA  41 -10.272  12.864  -1.790
  289    H    GLY  42           H        GLY  42  -8.193   8.833  -1.747
  290    HA2  GLY  42           HA2      GLY  42  -8.775   7.676   0.929
  291    HA3  GLY  42           HA3      GLY  42  -9.272   6.826  -0.552
  292    H    VAL  43           H        VAL  43  -6.447   8.592  -1.145
  293    HA   VAL  43           HA       VAL  43  -4.793   6.224  -1.297
  294    HB   VAL  43           HB       VAL  43  -4.763   8.361  -2.807
  295   HG11  VAL  43          HG11      VAL  43  -4.639   9.976  -0.911
  296   HG12  VAL  43          HG12      VAL  43  -3.009   9.367  -0.530
  297   HG13  VAL  43          HG13      VAL  43  -3.319  10.161  -2.081
  298   HG21  VAL  43          HG21      VAL  43  -2.147   7.305  -1.663
  299   HG22  VAL  43          HG22      VAL  43  -3.121   6.522  -2.930
  300   HG23  VAL  43          HG23      VAL  43  -2.376   8.106  -3.229
  301    H    HIS  44           H        HIS  44  -2.707   5.981  -0.163
  302    HA   HIS  44           HA       HIS  44  -2.202   7.685   2.186
  303    HB2  HIS  44           HB2      HIS  44  -2.803   4.719   2.316
  304    HB3  HIS  44           HB3      HIS  44  -1.805   5.531   3.523
  305    HD1  HIS  44           HD1      HIS  44  -3.164   7.708   4.792
  306    HD2  HIS  44           HD2      HIS  44  -5.343   4.713   2.817
  307    HE1  HIS  44           HE1      HIS  44  -5.548   7.839   5.691
  308    H    PHE  45           H        PHE  45  -0.034   7.443   2.979
  309    HA   PHE  45           HA       PHE  45   1.812   5.692   1.491
  310    HB2  PHE  45           HB2      PHE  45   2.052   8.722   1.633
  311    HB3  PHE  45           HB3      PHE  45   3.333   7.629   1.098
  312    HD1  PHE  45           HD1      PHE  45   2.975   6.194  -0.950
  313    HD2  PHE  45           HD2      PHE  45   0.341   9.416   0.125
  314    HE1  PHE  45           HE1      PHE  45   2.015   6.171  -3.239
  315    HE2  PHE  45           HE2      PHE  45  -0.604   9.404  -2.165
  316    HZ   PHE  45           HZ       PHE  45   0.203   7.753  -3.840
  317    H    ILE  46           H        ILE  46   4.086   5.955   2.512
  318    HA   ILE  46           HA       ILE  46   3.852   6.418   5.442
  319    HB   ILE  46           HB       ILE  46   4.957   3.890   4.210
  320   HG12  ILE  46          HG12      ILE  46   2.269   4.325   5.584
  321   HG13  ILE  46          HG13      ILE  46   2.494   4.070   3.843
  322   HG21  ILE  46          HG21      ILE  46   4.969   3.084   6.525
  323   HG22  ILE  46          HG22      ILE  46   5.869   4.606   6.442
  324   HG23  ILE  46          HG23      ILE  46   4.209   4.584   7.089
  325   HD11  ILE  46          HD11      ILE  46   3.128   2.098   6.042
  326   HD12  ILE  46          HD12      ILE  46   1.878   1.983   4.775
  327   HD13  ILE  46          HD13      ILE  46   3.591   1.892   4.331
  328    H    TYR  47           H        TYR  47   5.731   7.270   6.297
  329    HA   TYR  47           HA       TYR  47   8.294   7.111   4.906
  330    HB2  TYR  47           HB2      TYR  47   8.468   9.506   4.482
  331    HB3  TYR  47           HB3      TYR  47   7.164   8.770   3.552
  332    HD1  TYR  47           HD1      TYR  47   4.772   9.124   4.241
  333    HD2  TYR  47           HD2      TYR  47   8.040  11.246   6.067
  334    HE1  TYR  47           HE1      TYR  47   3.178  10.805   5.129
  335    HE2  TYR  47           HE2      TYR  47   6.449  12.928   6.967
  336    HH   TYR  47           HH       TYR  47   4.262  13.591   7.113
  337    H    THR  48           H        THR  48   9.859   8.765   6.066
  338    HA   THR  48           HA       THR  48   9.031   9.392   8.839
  339    HB   THR  48           HB       THR  48  11.236   8.525   9.669
  340    HG1  THR  48           HG1      THR  48  12.242   6.962   8.341
  341   HG21  THR  48          HG21      THR  48  10.525   6.202   9.841
  342   HG22  THR  48          HG22      THR  48   9.126   7.286   9.999
  343   HG23  THR  48          HG23      THR  48   9.407   6.409   8.470
  344    H    ARG  49           H        ARG  49  10.635  10.745   9.930
  345    HA   ARG  49           HA       ARG  49  11.426  12.936   8.224
  346    HB2  ARG  49           HB2      ARG  49  11.855  14.059  10.327
  347    HB3  ARG  49           HB3      ARG  49  10.345  13.143  10.425
  348    HG2  ARG  49           HG2      ARG  49  11.151  12.367  12.375
  349    HG3  ARG  49           HG3      ARG  49  12.132  11.279  11.375
  350    HD2  ARG  49           HD2      ARG  49  13.945  13.039  11.380
  351    HD3  ARG  49           HD3      ARG  49  12.930  14.022  12.452
  352    HE   ARG  49           HE       ARG  49  13.472  11.298  13.401
  353   HH11  ARG  49          HH11      ARG  49  14.512  14.678  13.437
  354   HH12  ARG  49          HH12      ARG  49  15.425  14.500  14.917
  355   HH21  ARG  49          HH21      ARG  49  14.673  11.095  15.319
  356   HH22  ARG  49          HH22      ARG  49  15.504  12.480  15.988
  357    H    GLU  50           H        GLU  50  12.918  10.090   8.498
  358    HA   GLU  50           HA       GLU  50  15.631  11.263   8.234
  359    HB2  GLU  50           HB2      GLU  50  14.945   8.787   9.876
  360    HB3  GLU  50           HB3      GLU  50  16.569   9.438   9.584
  361    HG2  GLU  50           HG2      GLU  50  15.926  11.537  10.750
  362    HG3  GLU  50           HG3      GLU  50  14.315  10.850  11.044
  363    H    GLY  51           H        GLY  51  13.281   9.877   6.593
  364    HA2  GLY  51           HA2      GLY  51  15.075   8.092   5.038
  365    HA3  GLY  51           HA3      GLY  51  13.513   7.492   5.617
  366    H    ARG  52           H        ARG  52  12.308   7.323   3.856
  367    HA   ARG  52           HA       ARG  52  11.708   9.670   2.186
  368    HB2  ARG  52           HB2      ARG  52  13.793   8.652   1.242
  369    HB3  ARG  52           HB3      ARG  52  12.939   7.118   1.040
  370    HG2  ARG  52           HG2      ARG  52  11.475   8.045  -0.610
  371    HG3  ARG  52           HG3      ARG  52  11.964   9.711  -0.214
  372    HD2  ARG  52           HD2      ARG  52  14.189   9.314  -1.100
  373    HD3  ARG  52           HD3      ARG  52  13.826   7.596  -1.358
  374    HE   ARG  52           HE       ARG  52  11.872   8.766  -2.818
  375   HH11  ARG  52          HH11      ARG  52  15.359   9.358  -2.730
  376   HH12  ARG  52          HH12      ARG  52  15.421   9.896  -4.391
  377   HH21  ARG  52          HH21      ARG  52  11.980   9.459  -4.955
  378   HH22  ARG  52          HH22      ARG  52  13.509   9.947  -5.657
  379    H    GLN  53           H        GLN  53  10.059   8.886   0.410
  380    HA   GLN  53           HA       GLN  53   7.824   7.727   1.728
  381    HB2  GLN  53           HB2      GLN  53   8.249   8.082  -1.263
  382    HB3  GLN  53           HB3      GLN  53   6.707   7.969  -0.401
  383    HG2  GLN  53           HG2      GLN  53   8.731  10.231  -0.318
  384    HG3  GLN  53           HG3      GLN  53   7.056  10.282  -0.890
  385   HE21  GLN  53          HE21      GLN  53   5.446   9.379   0.979
  386   HE22  GLN  53          HE22      GLN  53   5.735  10.088   2.558
  387    H    SER  54           H        SER  54  10.483   6.046   1.007
  388    HA   SER  54           HA       SER  54   9.486   3.832  -0.531
  389    HB2  SER  54           HB2      SER  54  11.889   4.509  -0.316
  390    HB3  SER  54           HB3      SER  54  11.847   3.969   1.377
  391    HG   SER  54           HG       SER  54  11.229   1.890   0.565
  392    H    GLY  55           H        GLY  55   8.512   4.827   2.488
  393    HA2  GLY  55           HA2      GLY  55   8.492   2.353   3.948
  394    HA3  GLY  55           HA3      GLY  55   7.482   3.785   4.248
  395    H    GLU  56           H        GLU  56   6.939   3.237   1.110
  396    HA   GLU  56           HA       GLU  56   5.494   2.143  -0.215
  397    HB2  GLU  56           HB2      GLU  56   4.790   0.247   2.032
  398    HB3  GLU  56           HB3      GLU  56   4.497   0.063   0.307
  399    HG2  GLU  56           HG2      GLU  56   7.221   0.102   1.662
  400    HG3  GLU  56           HG3      GLU  56   6.385  -1.318   1.042
  401    H    ALA  57           H        ALA  57   2.865   1.102   0.352
  402    HA   ALA  57           HA       ALA  57   1.493   3.469   1.480
  403    HB1  ALA  57           HB1      ALA  57   1.475   2.643  -1.452
  404    HB2  ALA  57           HB2      ALA  57   0.372   3.834  -0.747
  405    HB3  ALA  57           HB3      ALA  57   2.121   4.152  -0.777
  406    H    PHE  58           H        PHE  58  -0.903   3.329   0.990
  407    HA   PHE  58           HA       PHE  58  -1.978   0.568   0.715
  408    HB2  PHE  58           HB2      PHE  58  -2.894   2.626   2.759
  409    HB3  PHE  58           HB3      PHE  58  -3.667   1.093   2.449
  410    HD1  PHE  58           HD1      PHE  58  -2.378  -1.079   2.987
  411    HD2  PHE  58           HD2      PHE  58  -1.144   2.824   4.280
  412    HE1  PHE  58           HE1      PHE  58  -1.043  -2.106   4.815
  413    HE2  PHE  58           HE2      PHE  58   0.139   1.818   6.118
  414    HZ   PHE  58           HZ       PHE  58   0.204  -0.654   6.408
  415    H    VAL  59           H        VAL  59  -4.385   0.695   0.253
  416    HA   VAL  59           HA       VAL  59  -5.266   3.236  -0.983
  417    HB   VAL  59           HB       VAL  59  -5.154   0.576  -2.474
  418   HG11  VAL  59          HG11      VAL  59  -7.127   1.978  -3.040
  419   HG12  VAL  59          HG12      VAL  59  -6.036   3.344  -3.377
  420   HG13  VAL  59          HG13      VAL  59  -5.976   1.885  -4.389
  421   HG21  VAL  59          HG21      VAL  59  -3.603   1.740  -4.008
  422   HG22  VAL  59          HG22      VAL  59  -3.605   3.161  -2.934
  423   HG23  VAL  59          HG23      VAL  59  -2.922   1.614  -2.377
  424    H    GLU  60           H        GLU  60  -7.141   3.549   0.143
  425    HA   GLU  60           HA       GLU  60  -8.860   1.347   0.944
  426    HB2  GLU  60           HB2      GLU  60  -9.391   4.341   0.684
  427    HB3  GLU  60           HB3      GLU  60 -10.480   3.167   1.441
  428    HG2  GLU  60           HG2      GLU  60  -8.690   2.604   3.087
  429    HG3  GLU  60           HG3      GLU  60  -7.673   3.877   2.380
  430    H    LEU  61           H        LEU  61 -10.913   0.793  -0.010
  431    HA   LEU  61           HA       LEU  61 -11.339   1.909  -2.739
  432    HB2  LEU  61           HB2      LEU  61 -11.849  -0.976  -2.027
  433    HB3  LEU  61           HB3      LEU  61 -11.860  -0.247  -3.620
  434    HG   LEU  61           HG       LEU  61  -9.308  -0.324  -1.958
  435   HD11  LEU  61          HD11      LEU  61 -10.195  -2.610  -2.256
  436   HD12  LEU  61          HD12      LEU  61 -10.276  -2.323  -4.014
  437   HD13  LEU  61          HD13      LEU  61  -8.702  -2.336  -3.190
  438   HD21  LEU  61          HD21      LEU  61  -9.393   1.234  -3.913
  439   HD22  LEU  61          HD22      LEU  61  -8.263  -0.110  -4.187
  440   HD23  LEU  61          HD23      LEU  61  -9.870  -0.126  -4.955
  441    H    GLY  62           H        GLY  62 -13.611   0.822  -3.518
  442    HA2  GLY  62           HA2      GLY  62 -15.515   2.096  -1.666
  443    HA3  GLY  62           HA3      GLY  62 -15.745   1.673  -3.371
  444    H    SER  63           H        SER  63 -14.893  -1.151  -3.129
  445    HA   SER  63           HA       SER  63 -16.882  -2.318  -1.289
  446    HB2  SER  63           HB2      SER  63 -17.133  -2.501  -4.322
  447    HB3  SER  63           HB3      SER  63 -18.046  -3.485  -3.164
  448    HG   SER  63           HG       SER  63 -18.098  -0.654  -3.379
  449    H    GLU  64           H        GLU  64 -16.992  -4.743  -1.601
  450    HA   GLU  64           HA       GLU  64 -14.441  -5.952  -1.427
  451    HB2  GLU  64           HB2      GLU  64 -16.504  -6.896  -0.468
  452    HB3  GLU  64           HB3      GLU  64 -17.188  -7.107  -2.078
  453    HG2  GLU  64           HG2      GLU  64 -15.416  -8.705  -2.660
  454    HG3  GLU  64           HG3      GLU  64 -14.648  -8.452  -1.076
  455    H    ASP  65           H        ASP  65 -16.511  -5.263  -4.240
  456    HA   ASP  65           HA       ASP  65 -15.232  -7.195  -5.937
  457    HB2  ASP  65           HB2      ASP  65 -17.495  -6.175  -6.306
  458    HB3  ASP  65           HB3      ASP  65 -16.714  -4.629  -6.666
  459    H    ASP  66           H        ASP  66 -14.449  -3.884  -4.924
  460    HA   ASP  66           HA       ASP  66 -12.546  -3.398  -7.069
  461    HB2  ASP  66           HB2      ASP  66 -13.034  -2.090  -4.362
  462    HB3  ASP  66           HB3      ASP  66 -11.925  -1.476  -5.591
  463    H    VAL  67           H        VAL  67 -12.388  -4.642  -3.681
  464    HA   VAL  67           HA       VAL  67  -9.499  -4.576  -3.642
  465    HB   VAL  67           HB       VAL  67 -10.445  -4.604  -1.523
  466   HG11  VAL  67          HG11      VAL  67 -12.130  -7.005  -2.236
  467   HG12  VAL  67          HG12      VAL  67 -12.067  -6.175  -0.666
  468   HG13  VAL  67          HG13      VAL  67 -12.693  -5.308  -2.079
  469   HG21  VAL  67          HG21      VAL  67  -9.774  -7.534  -1.946
  470   HG22  VAL  67          HG22      VAL  67  -8.558  -6.250  -1.761
  471   HG23  VAL  67          HG23      VAL  67  -9.686  -6.611  -0.431
  472    H    LYS  68           H        LYS  68 -11.918  -7.083  -4.552
  473    HA   LYS  68           HA       LYS  68  -9.997  -9.137  -4.984
  474    HB2  LYS  68           HB2      LYS  68 -12.723  -8.522  -6.184
  475    HB3  LYS  68           HB3      LYS  68 -11.806  -9.993  -6.564
  476    HG2  LYS  68           HG2      LYS  68 -11.742 -10.636  -4.216
  477    HG3  LYS  68           HG3      LYS  68 -12.580  -9.145  -3.746
  478    HD2  LYS  68           HD2      LYS  68 -14.544  -9.799  -5.079
  479    HD3  LYS  68           HD3      LYS  68 -13.719 -11.282  -5.608
  480    HE2  LYS  68           HE2      LYS  68 -14.344 -10.568  -2.712
  481    HE3  LYS  68           HE3      LYS  68 -15.332 -11.638  -3.720
  482    HZ1  LYS  68           HZ1      LYS  68 -13.436 -13.088  -3.942
  483    HZ2  LYS  68           HZ2      LYS  68 -12.516 -12.101  -3.000
  484    HZ3  LYS  68           HZ3      LYS  68 -13.815 -12.878  -2.357
  485    H    MET  69           H        MET  69 -11.230  -6.526  -7.134
  486    HA   MET  69           HA       MET  69  -9.807  -7.475  -9.445
  487    HB2  MET  69           HB2      MET  69 -11.202  -4.899  -8.701
  488    HB3  MET  69           HB3      MET  69 -10.308  -5.069 -10.222
  489    HG2  MET  69           HG2      MET  69 -11.628  -7.183 -10.666
  490    HG3  MET  69           HG3      MET  69 -12.637  -6.777  -9.279
  491    HE1  MET  69           HE1      MET  69 -14.135  -3.299 -10.498
  492    HE2  MET  69           HE2      MET  69 -13.949  -4.410  -9.122
  493    HE3  MET  69           HE3      MET  69 -12.545  -3.491  -9.725
  494    H    ALA  70           H        ALA  70  -8.874  -5.358  -6.741
  495    HA   ALA  70           HA       ALA  70  -6.558  -4.256  -8.072
  496    HB1  ALA  70           HB1      ALA  70  -7.613  -3.208  -6.109
  497    HB2  ALA  70           HB2      ALA  70  -7.205  -4.629  -5.122
  498    HB3  ALA  70           HB3      ALA  70  -5.910  -3.601  -5.782
  499    H    LEU  71           H        LEU  71  -7.237  -7.254  -6.315
  500    HA   LEU  71           HA       LEU  71  -4.450  -7.991  -5.983
  501    HB2  LEU  71           HB2      LEU  71  -7.047  -9.547  -5.727
  502    HB3  LEU  71           HB3      LEU  71  -5.455 -10.131  -5.203
  503    HG   LEU  71           HG       LEU  71  -6.720  -7.554  -4.185
  504   HD11  LEU  71          HD11      LEU  71  -6.665 -10.299  -2.888
  505   HD12  LEU  71          HD12      LEU  71  -7.275  -8.794  -2.150
  506   HD13  LEU  71          HD13      LEU  71  -8.104  -9.487  -3.558
  507   HD21  LEU  71          HD21      LEU  71  -4.298  -7.623  -3.980
  508   HD22  LEU  71          HD22      LEU  71  -5.086  -7.750  -2.391
  509   HD23  LEU  71          HD23      LEU  71  -4.397  -9.204  -3.162
  510    H    LYS  72           H        LYS  72  -6.771  -8.216  -8.574
  511    HA   LYS  72           HA       LYS  72  -5.728 -10.542  -9.884
  512    HB2  LYS  72           HB2      LYS  72  -7.070  -8.097 -11.089
  513    HB3  LYS  72           HB3      LYS  72  -6.826  -9.650 -11.900
  514    HG2  LYS  72           HG2      LYS  72  -8.550  -9.139  -9.460
  515    HG3  LYS  72           HG3      LYS  72  -9.115  -9.498 -11.096
  516    HD2  LYS  72           HD2      LYS  72  -8.070 -11.750 -10.958
  517    HD3  LYS  72           HD3      LYS  72  -7.485 -11.375  -9.323
  518    HE2  LYS  72           HE2      LYS  72  -9.496 -12.672  -9.108
  519    HE3  LYS  72           HE3      LYS  72  -9.827 -11.011  -8.580
  520    HZ1  LYS  72           HZ1      LYS  72 -10.824 -10.601 -10.728
  521    HZ2  LYS  72           HZ2      LYS  72 -10.497 -12.136 -11.222
  522    HZ3  LYS  72           HZ3      LYS  72 -11.564 -11.875  -9.999
  523    H    LYS  73           H        LYS  73  -4.163  -7.549  -9.378
  524    HA   LYS  73           HA       LYS  73  -2.244  -8.255 -11.508
  525    HB2  LYS  73           HB2      LYS  73  -1.972  -5.912 -12.125
  526    HB3  LYS  73           HB3      LYS  73  -3.652  -6.393 -12.378
  527    HG2  LYS  73           HG2      LYS  73  -2.873  -5.189  -9.720
  528    HG3  LYS  73           HG3      LYS  73  -2.895  -4.147 -11.135
  529    HD2  LYS  73           HD2      LYS  73  -5.247  -5.838 -10.194
  530    HD3  LYS  73           HD3      LYS  73  -5.026  -4.126  -9.856
  531    HE2  LYS  73           HE2      LYS  73  -5.431  -5.423 -12.582
  532    HE3  LYS  73           HE3      LYS  73  -6.560  -4.367 -11.721
  533    HZ1  LYS  73           HZ1      LYS  73  -5.411  -3.168 -13.404
  534    HZ2  LYS  73           HZ2      LYS  73  -4.930  -2.593 -11.941
  535    HZ3  LYS  73           HZ3      LYS  73  -3.938  -3.580 -12.802
  536    H    ASP  74           H        ASP  74  -2.433  -8.720  -8.697
  537    HA   ASP  74           HA       ASP  74  -1.014  -7.179  -6.982
  538    HB2  ASP  74           HB2      ASP  74  -0.556  -9.291  -5.776
  539    HB3  ASP  74           HB3      ASP  74  -2.221  -9.110  -6.349
  540    H    ARG  75           H        ARG  75   0.614  -8.470  -9.774
  541    HA   ARG  75           HA       ARG  75   3.136  -7.553  -8.540
  542    HB2  ARG  75           HB2      ARG  75   2.721 -10.069  -8.257
  543    HB3  ARG  75           HB3      ARG  75   3.003 -10.172 -10.015
  544    HG2  ARG  75           HG2      ARG  75   5.273  -9.201  -9.643
  545    HG3  ARG  75           HG3      ARG  75   4.942  -9.206  -7.887
  546    HD2  ARG  75           HD2      ARG  75   4.610 -11.602  -7.889
  547    HD3  ARG  75           HD3      ARG  75   4.736 -11.637  -9.655
  548    HE   ARG  75           HE       ARG  75   7.065 -11.488  -9.493
  549   HH11  ARG  75          HH11      ARG  75   5.627 -10.962  -6.285
  550   HH12  ARG  75          HH12      ARG  75   7.177 -11.004  -5.476
  551   HH21  ARG  75          HH21      ARG  75   9.054 -11.548  -8.372
  552   HH22  ARG  75          HH22      ARG  75   9.081 -11.348  -6.634
  553    H    GLU  76           H        GLU  76   1.078  -6.881 -10.848
  554    HA   GLU  76           HA       GLU  76   2.582  -7.189 -13.291
  555    HB2  GLU  76           HB2      GLU  76   0.317  -5.272 -12.656
  556    HB3  GLU  76           HB3      GLU  76   0.927  -5.702 -14.267
  557    HG2  GLU  76           HG2      GLU  76  -0.471  -7.469 -12.286
  558    HG3  GLU  76           HG3      GLU  76  -1.026  -6.997 -13.896
  559    H    SER  77           H        SER  77   2.279  -4.661 -14.422
  560    HA   SER  77           HA       SER  77   4.062  -2.848 -12.906
  561    HB2  SER  77           HB2      SER  77   5.578  -2.647 -14.845
  562    HB3  SER  77           HB3      SER  77   5.560  -4.304 -14.208
  563    HG   SER  77           HG       SER  77   5.378  -4.261 -16.485
  564    H    MET  78           H        MET  78   4.106  -0.673 -13.792
  565    HA   MET  78           HA       MET  78   1.557   0.125 -14.940
  566    HB2  MET  78           HB2      MET  78   4.105   1.637 -14.228
  567    HB3  MET  78           HB3      MET  78   2.634   2.414 -14.850
  568    HG2  MET  78           HG2      MET  78   1.335   1.520 -12.972
  569    HG3  MET  78           HG3      MET  78   2.781   0.727 -12.334
  570    HE1  MET  78           HE1      MET  78   0.763   2.819 -10.768
  571    HE2  MET  78           HE2      MET  78   2.049   1.815 -10.067
  572    HE3  MET  78           HE3      MET  78   2.006   3.566  -9.744
  573    H    GLY  79           H        GLY  79   4.397  -1.092 -16.296
  574    HA2  GLY  79           HA2      GLY  79   4.138  -1.393 -18.787
  575    HA3  GLY  79           HA3      GLY  79   3.973   0.375 -18.858
  576    H    HIS  80           H        HIS  80   6.024   0.387 -16.480
  577    HA   HIS  80           HA       HIS  80   8.489  -0.290 -17.969
  578    HB2  HIS  80           HB2      HIS  80   7.862   2.471 -16.853
  579    HB3  HIS  80           HB3      HIS  80   9.401   1.968 -17.561
  580    HD1  HIS  80           HD1      HIS  80   6.121   3.436 -18.558
  581    HD2  HIS  80           HD2      HIS  80   9.261   1.253 -20.299
  582    HE1  HIS  80           HE1      HIS  80   5.883   3.709 -21.085
  583    H    ARG  81           H        ARG  81   6.748  -0.300 -15.039
  584    HA   ARG  81           HA       ARG  81   9.168  -1.154 -13.637
  585    HB2  ARG  81           HB2      ARG  81   9.049   1.363 -13.365
  586    HB3  ARG  81           HB3      ARG  81   7.500   1.143 -12.537
  587    HG2  ARG  81           HG2      ARG  81   9.286   1.375 -10.903
  588    HG3  ARG  81           HG3      ARG  81   8.662  -0.279 -10.826
  589    HD2  ARG  81           HD2      ARG  81  10.562  -1.061 -12.210
  590    HD3  ARG  81           HD3      ARG  81  11.153   0.609 -12.341
  591    HE   ARG  81           HE       ARG  81  10.842  -0.236  -9.583
  592   HH11  ARG  81          HH11      ARG  81  12.982  -0.474 -12.390
  593   HH12  ARG  81          HH12      ARG  81  14.415  -0.709 -11.420
  594   HH21  ARG  81          HH21      ARG  81  12.723  -0.511  -8.350
  595   HH22  ARG  81          HH22      ARG  81  14.268  -0.758  -9.134
  596    H    TYR  82           H        TYR  82   8.789  -2.565 -12.057
  597    HA   TYR  82           HA       TYR  82   6.279  -3.935 -11.902
  598    HB2  TYR  82           HB2      TYR  82   8.219  -5.199 -11.782
  599    HB3  TYR  82           HB3      TYR  82   9.022  -4.051 -10.737
  600    HD1  TYR  82           HD1      TYR  82   5.775  -6.027 -10.072
  601    HD2  TYR  82           HD2      TYR  82   9.890  -5.141  -9.041
  602    HE1  TYR  82           HE1      TYR  82   5.579  -7.373  -8.023
  603    HE2  TYR  82           HE2      TYR  82   9.717  -6.640  -7.102
  604    HH   TYR  82           HH       TYR  82   8.386  -8.047  -5.895
  605    H    ILE  83           H        ILE  83   4.868  -4.201 -10.333
  606    HA   ILE  83           HA       ILE  83   4.786  -2.235  -8.119
  607    HB   ILE  83           HB       ILE  83   2.461  -3.040  -9.908
  608   HG12  ILE  83          HG12      ILE  83   4.020  -1.610 -11.172
  609   HG13  ILE  83          HG13      ILE  83   2.473  -0.829 -10.862
  610   HG21  ILE  83          HG21      ILE  83   1.678  -2.472  -7.702
  611   HG22  ILE  83          HG22      ILE  83   2.714  -1.029  -7.638
  612   HG23  ILE  83          HG23      ILE  83   1.336  -1.095  -8.756
  613   HD11  ILE  83          HD11      ILE  83   5.031  -0.312  -9.290
  614   HD12  ILE  83          HD12      ILE  83   4.350   0.720 -10.564
  615   HD13  ILE  83          HD13      ILE  83   3.468   0.500  -9.042
  616    H    GLU  84           H        GLU  84   3.331  -2.989  -6.377
  617    HA   GLU  84           HA       GLU  84   2.924  -5.946  -6.300
  618    HB2  GLU  84           HB2      GLU  84   4.591  -4.117  -4.602
  619    HB3  GLU  84           HB3      GLU  84   3.794  -5.489  -3.803
  620    HG2  GLU  84           HG2      GLU  84   5.510  -5.831  -6.272
  621    HG3  GLU  84           HG3      GLU  84   6.223  -5.740  -4.662
  622    H    VAL  85           H        VAL  85   1.046  -6.522  -5.289
  623    HA   VAL  85           HA       VAL  85  -0.391  -4.476  -3.686
  624    HB   VAL  85           HB       VAL  85  -1.929  -6.263  -5.566
  625   HG11  VAL  85          HG11      VAL  85  -3.136  -5.103  -3.771
  626   HG12  VAL  85          HG12      VAL  85  -2.490  -3.542  -4.335
  627   HG13  VAL  85          HG13      VAL  85  -3.604  -4.473  -5.360
  628   HG21  VAL  85          HG21      VAL  85  -0.873  -3.504  -6.284
  629   HG22  VAL  85          HG22      VAL  85  -0.412  -5.035  -7.071
  630   HG23  VAL  85          HG23      VAL  85  -2.076  -4.444  -7.208
  631    H    PHE  86           H        PHE  86  -1.780  -5.399  -2.120
  632    HA   PHE  86           HA       PHE  86  -1.890  -8.322  -1.836
  633    HB2  PHE  86           HB2      PHE  86   0.344  -7.434  -0.963
  634    HB3  PHE  86           HB3      PHE  86  -0.562  -6.621   0.302
  635    HD1  PHE  86           HD1      PHE  86   0.634  -9.868  -1.041
  636    HD2  PHE  86           HD2      PHE  86  -1.584  -7.918   2.093
  637    HE1  PHE  86           HE1      PHE  86   0.854 -11.872   0.374
  638    HE2  PHE  86           HE2      PHE  86  -1.397  -9.943   3.500
  639    HZ   PHE  86           HZ       PHE  86  -0.165 -11.934   2.642
  640    H    LYS  87           H        LYS  87  -3.433  -8.905  -0.087
  641    HA   LYS  87           HA       LYS  87  -5.557  -6.936  -0.051
  642    HB2  LYS  87           HB2      LYS  87  -5.761  -9.474  -0.284
  643    HB3  LYS  87           HB3      LYS  87  -5.523  -9.562   1.473
  644    HG2  LYS  87           HG2      LYS  87  -7.443  -8.007   1.765
  645    HG3  LYS  87           HG3      LYS  87  -7.626  -7.929   0.001
  646    HD2  LYS  87           HD2      LYS  87  -7.946 -10.458   0.037
  647    HD3  LYS  87           HD3      LYS  87  -8.046 -10.347   1.807
  648    HE2  LYS  87           HE2      LYS  87  -9.830  -8.917  -0.212
  649    HE3  LYS  87           HE3      LYS  87 -10.290 -10.331   0.752
  650    HZ1  LYS  87           HZ1      LYS  87  -9.560  -7.696   1.866
  651    HZ2  LYS  87           HZ2      LYS  87 -11.091  -8.267   1.696
  652    HZ3  LYS  87           HZ3      LYS  87 -10.054  -9.013   2.724
  653    H    SER  88           H        SER  88  -6.618  -6.137   1.862
  654    HA   SER  88           HA       SER  88  -4.989  -6.083   4.332
  655    HB2  SER  88           HB2      SER  88  -4.255  -4.193   2.853
  656    HB3  SER  88           HB3      SER  88  -5.909  -3.552   2.929
  657    HG   SER  88           HG       SER  88  -4.482  -2.653   4.516
  658    H    HIS  89           H        HIS  89  -6.372  -4.247   5.771
  659    HA   HIS  89           HA       HIS  89  -9.206  -5.133   5.726
  660    HB2  HIS  89           HB2      HIS  89  -8.877  -5.584   8.260
  661    HB3  HIS  89           HB3      HIS  89  -8.342  -6.803   7.098
  662    HD1  HIS  89           HD1      HIS  89  -7.063  -5.064  10.068
  663    HD2  HIS  89           HD2      HIS  89  -5.527  -6.574   6.460
  664    HE1  HIS  89           HE1      HIS  89  -4.530  -5.297  10.378
  665    H    ARG  90           H        ARG  90  -6.730  -3.153   7.351
  666    HA   ARG  90           HA       ARG  90  -7.024  -0.728   7.005
  667    HB2  ARG  90           HB2      ARG  90  -8.885   0.452   7.896
  668    HB3  ARG  90           HB3      ARG  90  -9.501  -0.776   6.802
  669    HG2  ARG  90           HG2      ARG  90  -9.822  -2.236   8.955
  670    HG3  ARG  90           HG3      ARG  90  -9.537  -0.740   9.855
  671    HD2  ARG  90           HD2      ARG  90 -11.430   0.341   8.824
  672    HD3  ARG  90           HD3      ARG  90 -11.599  -0.956   7.628
  673    HE   ARG  90           HE       ARG  90 -12.563  -0.964  10.387
  674   HH11  ARG  90          HH11      ARG  90 -11.617  -2.963   7.627
  675   HH12  ARG  90          HH12      ARG  90 -12.658  -4.295   8.077
  676   HH21  ARG  90          HH21      ARG  90 -13.882  -2.742  10.979
  677   HH22  ARG  90          HH22      ARG  90 -13.898  -4.184   9.991
  678    H    THR  91           H        THR  91  -7.209  -3.048   9.600
  679    HA   THR  91           HA       THR  91  -6.710  -1.226  11.761
  680    HB   THR  91           HB       THR  91  -5.861  -4.138  11.544
  681    HG1  THR  91           HG1      THR  91  -8.327  -3.029  12.397
  682   HG21  THR  91          HG21      THR  91  -6.208  -4.098  13.996
  683   HG22  THR  91          HG22      THR  91  -4.947  -2.958  13.480
  684   HG23  THR  91          HG23      THR  91  -6.563  -2.353  13.907
  685    H    GLU  92           H        GLU  92  -4.547  -3.116   9.594
  686    HA   GLU  92           HA       GLU  92  -2.109  -2.153  10.832
  687    HB2  GLU  92           HB2      GLU  92  -2.279  -4.234   9.464
  688    HB3  GLU  92           HB3      GLU  92  -2.625  -3.234   8.031
  689    HG2  GLU  92           HG2      GLU  92  -0.450  -2.111   8.280
  690    HG3  GLU  92           HG3      GLU  92  -0.127  -3.025   9.764
  691    H    MET  93           H        MET  93  -4.216  -1.068   8.168
  692    HA   MET  93           HA       MET  93  -2.450   0.871   7.077
  693    HB2  MET  93           HB2      MET  93  -4.496  -0.003   5.963
  694    HB3  MET  93           HB3      MET  93  -5.487   0.814   7.186
  695    HG2  MET  93           HG2      MET  93  -4.452   2.997   6.473
  696    HG3  MET  93           HG3      MET  93  -3.634   2.127   5.175
  697    HE1  MET  93           HE1      MET  93  -7.282   1.780   6.700
  698    HE2  MET  93           HE2      MET  93  -6.898   3.514   6.666
  699    HE3  MET  93           HE3      MET  93  -8.174   2.863   5.610
  700    H    ASP  94           H        ASP  94  -4.778   0.989   9.790
  701    HA   ASP  94           HA       ASP  94  -4.558   3.847  10.159
  702    HB2  ASP  94           HB2      ASP  94  -6.453   2.350  10.873
  703    HB3  ASP  94           HB3      ASP  94  -5.386   1.687  12.112
  704    H    TRP  95           H        TRP  95  -2.744   1.035  11.194
  705    HA   TRP  95           HA       TRP  95  -1.559   2.276  13.536
  706    HB2  TRP  95           HB2      TRP  95  -1.963  -0.142  13.350
  707    HB3  TRP  95           HB3      TRP  95  -0.860  -0.242  11.988
  708    HD1  TRP  95           HD1      TRP  95  -0.733   0.707  15.737
  709    HE1  TRP  95           HE1      TRP  95   1.552   0.084  16.681
  710    HE3  TRP  95           HE3      TRP  95   1.470  -0.969  11.444
  711    HZ2  TRP  95           HZ2      TRP  95   4.063  -0.970  15.683
  712    HZ3  TRP  95           HZ3      TRP  95   3.812  -1.747  11.459
  713    HH2  TRP  95           HH2      TRP  95   5.121  -1.760  13.570
  714    H    VAL  96           H        VAL  96  -0.032   1.072  10.465
  715    HA   VAL  96           HA       VAL  96   2.488   2.258  11.184
  716    HB   VAL  96           HB       VAL  96   2.246   0.215   9.818
  717   HG11  VAL  96          HG11      VAL  96   0.305   0.783   8.536
  718   HG12  VAL  96          HG12      VAL  96   1.177   2.128   7.750
  719   HG13  VAL  96          HG13      VAL  96   1.666   0.439   7.446
  720   HG21  VAL  96          HG21      VAL  96   3.982   0.717   8.198
  721   HG22  VAL  96          HG22      VAL  96   3.649   2.458   8.317
  722   HG23  VAL  96          HG23      VAL  96   4.325   1.582   9.714
  723    H    LEU  97           H        LEU  97  -0.343   3.594   9.652
  724    HA   LEU  97           HA       LEU  97   0.965   5.731   8.241
  725    HB2  LEU  97           HB2      LEU  97  -1.763   4.933   9.050
  726    HB3  LEU  97           HB3      LEU  97  -1.532   6.672   9.083
  727    HG   LEU  97           HG       LEU  97  -2.450   5.908   6.949
  728   HD11  LEU  97          HD11      LEU  97  -1.092   7.961   7.076
  729   HD12  LEU  97          HD12      LEU  97   0.373   7.022   6.711
  730   HD13  LEU  97          HD13      LEU  97  -0.917   7.156   5.500
  731   HD21  LEU  97          HD21      LEU  97   0.224   4.523   6.497
  732   HD22  LEU  97          HD22      LEU  97  -1.335   3.704   6.749
  733   HD23  LEU  97          HD23      LEU  97  -1.098   4.709   5.317
  734    H    LYS  98           H        LYS  98   0.803   5.073  11.589
  735    HA   LYS  98           HA       LYS  98   1.385   7.904  12.258
  736    HB2  LYS  98           HB2      LYS  98  -0.610   6.089  13.657
  737    HB3  LYS  98           HB3      LYS  98  -0.045   7.658  14.253
  738    HG2  LYS  98           HG2      LYS  98  -0.860   8.695  12.097
  739    HG3  LYS  98           HG3      LYS  98  -1.603   7.127  11.692
  740    HD2  LYS  98           HD2      LYS  98  -2.870   7.207  13.829
  741    HD3  LYS  98           HD3      LYS  98  -2.162   8.799  14.173
  742    HE2  LYS  98           HE2      LYS  98  -3.878   8.113  11.746
  743    HE3  LYS  98           HE3      LYS  98  -4.459   8.944  13.198
  744    HZ1  LYS  98           HZ1      LYS  98  -2.895  10.704  12.745
  745    HZ2  LYS  98           HZ2      LYS  98  -2.359   9.941  11.389
  746    HZ3  LYS  98           HZ3      LYS  98  -3.906  10.494  11.467
  747    H    HIS  99           H        HIS  99   2.701   4.966  12.123
  748    HA   HIS  99           HA       HIS  99   4.232   5.321  14.628
  749    HB2  HIS  99           HB2      HIS  99   2.848   2.747  13.785
  750    HB3  HIS  99           HB3      HIS  99   4.046   2.872  15.079
  751    HD1  HIS  99           HD1      HIS  99   0.389   3.675  14.382
  752    HD2  HIS  99           HD2      HIS  99   3.304   4.098  17.379
  753    HE1  HIS  99           HE1      HIS  99  -0.853   4.316  16.521
  754    H    SER 100           H        SER 100   4.636   5.647  11.609
  755    HA   SER 100           HA       SER 100   6.249   3.652  10.520
  756    HB2  SER 100           HB2      SER 100   6.743   6.635  10.249
  757    HB3  SER 100           HB3      SER 100   7.080   5.361   9.056
  758    HG   SER 100           HG       SER 100   4.754   4.994   9.061
  759    H    GLY 101           H        GLY 101   8.397   3.071  10.627
  760    HA2  GLY 101           HA2      GLY 101  10.525   4.493  11.692
  761    HA3  GLY 101           HA3      GLY 101   9.799   3.655  13.073
  762    HA   PRO 102           HA       PRO 102  12.760   0.789  10.805
  763    HB2  PRO 102           HB2      PRO 102  14.536   0.390  12.849
  764    HB3  PRO 102           HB3      PRO 102  14.645   1.779  11.717
  765    HG2  PRO 102           HG2      PRO 102  13.407   1.720  14.483
  766    HG3  PRO 102           HG3      PRO 102  14.559   2.919  13.812
  767    HD2  PRO 102           HD2      PRO 102  11.865   3.364  13.847
  768    HD3  PRO 102           HD3      PRO 102  12.881   3.915  12.479
  769    H5'    A   1           H5'        A   1  20.375  -0.214   1.508
  770   H5''    A   1          H5''        A   1  18.811   0.499   1.966
  771    H4'    A   1           H4'        A   1  18.984  -2.168   0.524
  772    H3'    A   1           H3'        A   1  20.106  -0.107  -0.728
  773    H2'    A   1           H2'        A   1  18.534   1.475   0.316
  774   HO2'    A   1          HO2'        A   1  17.463   2.346  -1.516
  775    H1'    A   1           H1'        A   1  16.303  -0.180  -0.904
  776    H8     A   1           H8         A   1  15.230  -0.465   2.080
  777    H61    A   1           H61        A   1  13.549   5.481   2.839
  778    H62    A   1           H62        A   1  13.459   3.880   3.548
  779    H2     A   1           H2         A   1  15.977   5.158  -0.853
  780   HO5'    A   1          HO5'        A   1  19.712  -0.816   3.637
  781    H5'    G   2           H5'        G   2  17.227  -5.129  -1.200
  782   H5''    G   2          H5''        G   2  17.362  -4.419  -2.813
  783    H4'    G   2           H4'        G   2  16.067  -3.062  -0.397
  784    H3'    G   2           H3'        G   2  14.869  -4.618  -2.723
  785    H2'    G   2           H2'        G   2  12.972  -3.241  -2.506
  786   HO2'    G   2          HO2'        G   2  12.904  -3.583  -0.139
  787    H1'    G   2           H1'        G   2  14.466  -1.027  -1.500
  788    H8     G   2           H8         G   2  15.976  -1.421  -4.666
  789    H1     G   2           H1         G   2   9.992   0.686  -5.433
  790    H21    G   2           H21        G   2   8.854   0.456  -3.553
  791    H22    G   2           H22        G   2   9.539  -0.271  -2.122
  792    H5'    G   3           H5'        G   3  11.757  -6.116  -0.779
  793   H5''    G   3          H5''        G   3  11.925  -7.884  -0.736
  794    H4'    G   3           H4'        G   3   9.970  -7.469  -2.020
  795    H3'    G   3           H3'        G   3  12.160  -8.757  -3.254
  796    H2'    G   3           H2'        G   3  12.666  -6.787  -4.546
  797   HO2'    G   3          HO2'        G   3  12.247  -8.532  -6.015
  798    H1'    G   3           H1'        G   3   9.633  -6.584  -4.699
  799    H8     G   3           H8         G   3  12.933  -4.760  -5.476
  800    H1     G   3           H1         G   3   7.564  -2.175  -7.849
  801    H21    G   3           H21        G   3   5.842  -2.924  -6.788
  802    H22    G   3           H22        G   3   5.981  -4.181  -5.583
  803    H5'    G   4           H5'        G   4   7.872 -10.810  -1.567
  804   H5''    G   4          H5''        G   4   8.179  -9.060  -1.655
  805    H4'    G   4           H4'        G   4   9.373 -10.746   0.565
  806    H3'    G   4           H3'        G   4   6.685 -10.811   0.252
  807    H2'    G   4           H2'        G   4   6.013  -8.619   0.277
  808   HO2'    G   4          HO2'        G   4   5.733  -9.362   2.630
  809    H1'    G   4           H1'        G   4   8.059  -7.342   1.816
  810    H8     G   4           H8         G   4   6.275  -7.707  -1.448
  811    H1     G   4           H1         G   4   9.942  -2.459  -1.051
  812    H21    G   4           H21        G   4  11.244  -2.592   0.751
  813    H22    G   4           H22        G   4  11.194  -3.978   1.821
  814    H5'    A   5           H5'        A   5   3.926 -13.098   2.640
  815   H5''    A   5          H5''        A   5   5.175 -14.343   2.471
  816    H4'    A   5           H4'        A   5   3.510 -14.946   0.937
  817    H3'    A   5           H3'        A   5   6.002 -14.353  -0.025
  818    H2'    A   5           H2'        A   5   5.655 -12.190  -0.671
  819   HO2'    A   5          HO2'        A   5   5.243 -12.086  -2.916
  820    H1'    A   5           H1'        A   5   2.902 -12.644  -1.732
  821    H8     A   5           H8         A   5   3.922 -10.678   1.415
  822    H61    A   5           H61        A   5   2.626  -5.599  -1.898
  823    H62    A   5           H62        A   5   3.002  -6.207  -0.295
  824    H2     A   5           H2         A   5   2.566  -9.090  -4.652
  825    H5'    U   6           H5'        U   6   3.272 -15.865  -4.704
  826   H5''    U   6          H5''        U   6   4.593 -14.796  -4.204
  827    H4'    U   6           H4'        U   6   3.697 -13.792  -6.134
  828    H3'    U   6           H3'        U   6   3.059 -12.480  -3.565
  829   HO3'    U   6          HO3'        U   6   3.937 -10.733  -4.742
  830    H2'    U   6           H2'        U   6   1.183 -11.266  -4.211
  831   HO2'    U   6          HO2'        U   6   2.049 -11.743  -6.890
  832    H1'    U   6           H1'        U   6  -0.014 -12.961  -5.870
  833    H3     U   6           H3         U   6  -1.636 -16.293  -3.082
  834    H5     U   6           H5         U   6   0.013 -13.302  -0.653
  835    H6     U   6           H6         U   6   1.017 -12.316  -2.589
  Start of MODEL   13
    1    H    MET   1           H        MET   1   0.169  -0.875  21.130
    2    HA   MET   1           HA       MET   1  -2.165  -0.538  20.807
    3    HB2  MET   1           HB2      MET   1  -0.635   1.406  20.801
    4    HB3  MET   1           HB3      MET   1  -0.435   1.243  19.046
    5    HG2  MET   1           HG2      MET   1  -2.089   2.971  19.601
    6    HG3  MET   1           HG3      MET   1  -2.833   1.641  18.713
    7    HE1  MET   1           HE1      MET   1  -5.759   2.847  20.979
    8    HE2  MET   1           HE2      MET   1  -4.515   3.832  20.174
    9    HE3  MET   1           HE3      MET   1  -5.235   2.442  19.328
   10    H    MET   2           H        MET   2  -3.948  -0.943  19.617
   11    HA   MET   2           HA       MET   2  -3.814  -1.145  16.699
   12    HB2  MET   2           HB2      MET   2  -4.683  -3.452  16.653
   13    HB3  MET   2           HB3      MET   2  -3.072  -3.387  17.387
   14    HG2  MET   2           HG2      MET   2  -4.095  -3.436  19.639
   15    HG3  MET   2           HG3      MET   2  -5.705  -3.495  18.910
   16    HE1  MET   2           HE1      MET   2  -6.329  -5.562  20.371
   17    HE2  MET   2           HE2      MET   2  -5.339  -7.035  20.493
   18    HE3  MET   2           HE3      MET   2  -4.719  -5.493  21.128
   19    H    LEU   3           H        LEU   3  -6.090  -1.810  15.869
   20    HA   LEU   3           HA       LEU   3  -8.018  -0.006  16.970
   21    HB2  LEU   3           HB2      LEU   3  -8.314  -2.319  15.008
   22    HB3  LEU   3           HB3      LEU   3  -9.550  -1.092  15.326
   23    HG   LEU   3           HG       LEU   3  -6.785  -0.554  14.166
   24   HD11  LEU   3          HD11      LEU   3  -9.572  -0.454  12.932
   25   HD12  LEU   3          HD12      LEU   3  -8.048  -0.046  12.112
   26   HD13  LEU   3          HD13      LEU   3  -8.357  -1.716  12.632
   27   HD21  LEU   3          HD21      LEU   3  -9.163   1.286  14.697
   28   HD22  LEU   3          HD22      LEU   3  -7.563   1.376  15.474
   29   HD23  LEU   3          HD23      LEU   3  -7.728   1.726  13.746
   30    H    GLY   4           H        GLY   4 -10.289  -0.712  17.512
   31    HA2  GLY   4           HA2      GLY   4 -10.801  -3.299  18.634
   32    HA3  GLY   4           HA3      GLY   4 -10.371  -2.144  19.910
   33    HA   PRO   5           HA       PRO   5 -14.334  -0.059  19.706
   34    HB2  PRO   5           HB2      PRO   5 -13.219   2.248  18.130
   35    HB3  PRO   5           HB3      PRO   5 -14.205   2.282  19.629
   36    HG2  PRO   5           HG2      PRO   5 -11.535   2.733  19.743
   37    HG3  PRO   5           HG3      PRO   5 -12.320   1.671  20.964
   38    HD2  PRO   5           HD2      PRO   5 -10.797   0.861  18.478
   39    HD3  PRO   5           HD3      PRO   5 -10.670   0.202  20.141
   40    H    GLU   6           H        GLU   6 -12.546  -0.531  16.764
   41    HA   GLU   6           HA       GLU   6 -14.967  -1.136  15.255
   42    HB2  GLU   6           HB2      GLU   6 -14.506   1.389  15.063
   43    HB3  GLU   6           HB3      GLU   6 -13.035   0.955  14.177
   44    HG2  GLU   6           HG2      GLU   6 -14.400  -0.203  12.474
   45    HG3  GLU   6           HG3      GLU   6 -15.868   0.109  13.418
   46    H    GLY   7           H        GLY   7 -14.134  -1.887  12.919
   47    HA2  GLY   7           HA2      GLY   7 -11.386  -2.789  12.770
   48    HA3  GLY   7           HA3      GLY   7 -12.501  -4.097  13.195
   49    H    GLY   8           H        GLY   8 -11.416  -4.742  10.994
   50    HA2  GLY   8           HA2      GLY   8 -13.447  -4.528   8.945
   51    HA3  GLY   8           HA3      GLY   8 -11.989  -3.604   8.536
   52    H    GLU   9           H        GLU   9 -12.382  -5.426   6.785
   53    HA   GLU   9           HA       GLU   9 -10.376  -7.504   7.290
   54    HB2  GLU   9           HB2      GLU   9 -11.898  -9.336   6.652
   55    HB3  GLU   9           HB3      GLU   9 -12.400  -8.548   8.167
   56    HG2  GLU   9           HG2      GLU   9 -14.120  -7.298   7.058
   57    HG3  GLU   9           HG3      GLU   9 -13.465  -7.721   5.472
   58    H    GLY  10           H        GLY  10 -11.757  -5.231   5.226
   59    HA2  GLY  10           HA2      GLY  10 -10.197  -5.963   2.986
   60    HA3  GLY  10           HA3      GLY  10 -11.823  -6.601   2.750
   61    H    PHE  11           H        PHE  11 -11.553  -5.170   0.879
   62    HA   PHE  11           HA       PHE  11 -12.252  -3.454  -0.363
   63    HB2  PHE  11           HB2      PHE  11 -13.166  -1.997   2.091
   64    HB3  PHE  11           HB3      PHE  11 -13.654  -1.710   0.433
   65    HD1  PHE  11           HD1      PHE  11 -13.811  -5.266   0.958
   66    HD2  PHE  11           HD2      PHE  11 -15.832  -1.563   1.821
   67    HE1  PHE  11           HE1      PHE  11 -15.871  -6.505   1.466
   68    HE2  PHE  11           HE2      PHE  11 -17.925  -2.817   2.256
   69    HZ   PHE  11           HZ       PHE  11 -17.944  -5.295   2.089
   70    H    VAL  12           H        VAL  12  -9.710  -3.757   1.200
   71    HA   VAL  12           HA       VAL  12  -8.586  -1.080   0.635
   72    HB   VAL  12           HB       VAL  12  -7.984  -2.612   3.198
   73   HG11  VAL  12          HG11      VAL  12  -6.967  -0.472   3.896
   74   HG12  VAL  12          HG12      VAL  12  -6.214  -1.075   2.409
   75   HG13  VAL  12          HG13      VAL  12  -7.397   0.250   2.331
   76   HG21  VAL  12          HG21      VAL  12 -10.279  -1.905   3.418
   77   HG22  VAL  12          HG22      VAL  12  -9.236  -0.846   4.393
   78   HG23  VAL  12          HG23      VAL  12  -9.874  -0.261   2.841
   79    H    VAL  13           H        VAL  13  -6.400  -1.251   0.000
   80    HA   VAL  13           HA       VAL  13  -5.134  -3.926   0.255
   81    HB   VAL  13           HB       VAL  13  -4.324  -3.799  -2.081
   82   HG11  VAL  13          HG11      VAL  13  -6.263  -5.210  -1.438
   83   HG12  VAL  13          HG12      VAL  13  -7.357  -3.873  -1.865
   84   HG13  VAL  13          HG13      VAL  13  -6.355  -4.642  -3.116
   85   HG21  VAL  13          HG21      VAL  13  -6.415  -1.605  -2.397
   86   HG22  VAL  13          HG22      VAL  13  -4.651  -1.396  -2.509
   87   HG23  VAL  13          HG23      VAL  13  -5.507  -2.379  -3.712
   88    H    LYS  14           H        LYS  14  -2.897  -3.948   0.123
   89    HA   LYS  14           HA       LYS  14  -1.544  -1.454   0.850
   90    HB2  LYS  14           HB2      LYS  14  -0.229  -4.113   0.218
   91    HB3  LYS  14           HB3      LYS  14   0.319  -2.838   1.321
   92    HG2  LYS  14           HG2      LYS  14  -1.738  -3.364   2.751
   93    HG3  LYS  14           HG3      LYS  14  -2.013  -4.763   1.699
   94    HD2  LYS  14           HD2      LYS  14   0.342  -5.534   2.229
   95    HD3  LYS  14           HD3      LYS  14   0.423  -4.234   3.441
   96    HE2  LYS  14           HE2      LYS  14  -1.637  -5.194   4.524
   97    HE3  LYS  14           HE3      LYS  14  -1.607  -6.502   3.335
   98    HZ1  LYS  14           HZ1      LYS  14   0.534  -5.925   5.274
   99    HZ2  LYS  14           HZ2      LYS  14  -0.560  -7.147   5.389
  100    HZ3  LYS  14           HZ3      LYS  14   0.544  -7.146   4.170
  101    H    LEU  15           H        LEU  15   0.288  -0.615  -0.405
  102    HA   LEU  15           HA       LEU  15   0.496  -1.529  -3.218
  103    HB2  LEU  15           HB2      LEU  15  -1.147   0.498  -2.632
  104    HB3  LEU  15           HB3      LEU  15   0.359   1.404  -2.516
  105    HG   LEU  15           HG       LEU  15  -0.510   1.705  -4.681
  106   HD11  LEU  15          HD11      LEU  15   1.570  -0.476  -5.065
  107   HD12  LEU  15          HD12      LEU  15   1.177   0.840  -6.184
  108   HD13  LEU  15          HD13      LEU  15   1.958   1.215  -4.631
  109   HD21  LEU  15          HD21      LEU  15  -2.084  -0.168  -4.725
  110   HD22  LEU  15          HD22      LEU  15  -1.088  -0.170  -6.202
  111   HD23  LEU  15          HD23      LEU  15  -0.742  -1.323  -4.896
  112    H    ARG  16           H        ARG  16   2.617  -1.555  -3.826
  113    HA   ARG  16           HA       ARG  16   4.574   0.207  -2.517
  114    HB2  ARG  16           HB2      ARG  16   6.004  -1.619  -1.762
  115    HB3  ARG  16           HB3      ARG  16   4.427  -1.648  -0.945
  116    HG2  ARG  16           HG2      ARG  16   3.680  -3.465  -2.453
  117    HG3  ARG  16           HG3      ARG  16   5.273  -3.431  -3.255
  118    HD2  ARG  16           HD2      ARG  16   5.205  -5.205  -1.571
  119    HD3  ARG  16           HD3      ARG  16   6.374  -3.955  -1.119
  120    HE   ARG  16           HE       ARG  16   4.211  -3.094   0.232
  121   HH11  ARG  16          HH11      ARG  16   5.540  -6.326  -0.115
  122   HH12  ARG  16          HH12      ARG  16   5.006  -6.872   1.459
  123   HH21  ARG  16          HH21      ARG  16   3.523  -3.794   2.311
  124   HH22  ARG  16          HH22      ARG  16   3.863  -5.427   2.829
  125    H    GLY  17           H        GLY  17   6.586   0.283  -3.634
  126    HA2  GLY  17           HA2      GLY  17   7.804  -1.133  -5.472
  127    HA3  GLY  17           HA3      GLY  17   6.379  -0.716  -6.434
  128    H    LEU  18           H        LEU  18   8.233   0.107  -7.757
  129    HA   LEU  18           HA       LEU  18   9.350   1.780  -8.738
  130    HB2  LEU  18           HB2      LEU  18   7.539   3.584  -7.089
  131    HB3  LEU  18           HB3      LEU  18   8.443   4.055  -8.526
  132    HG   LEU  18           HG       LEU  18   6.117   2.113  -8.364
  133   HD11  LEU  18          HD11      LEU  18   5.142   3.682  -9.994
  134   HD12  LEU  18          HD12      LEU  18   5.615   4.536  -8.509
  135   HD13  LEU  18          HD13      LEU  18   6.631   4.656  -9.966
  136   HD21  LEU  18          HD21      LEU  18   8.136   2.582 -10.586
  137   HD22  LEU  18          HD22      LEU  18   7.627   1.034  -9.848
  138   HD23  LEU  18          HD23      LEU  18   6.517   1.938 -10.897
  139    HA   PRO  19           HA       PRO  19  12.899   3.299  -6.640
  140    HB2  PRO  19           HB2      PRO  19  12.325   5.924  -8.017
  141    HB3  PRO  19           HB3      PRO  19  13.876   5.027  -7.888
  142    HG2  PRO  19           HG2      PRO  19  12.426   4.875 -10.154
  143    HG3  PRO  19           HG3      PRO  19  13.102   3.367  -9.439
  144    HD2  PRO  19           HD2      PRO  19  10.301   4.481  -9.168
  145    HD3  PRO  19           HD3      PRO  19  10.811   2.810  -9.567
  146    H    TRP  20           H        TRP  20  11.637   3.171  -4.600
  147    HA   TRP  20           HA       TRP  20  11.010   3.923  -2.587
  148    HB2  TRP  20           HB2      TRP  20  12.758   6.296  -3.275
  149    HB3  TRP  20           HB3      TRP  20  12.260   5.809  -1.666
  150    HD1  TRP  20           HD1      TRP  20  15.232   6.209  -2.876
  151    HE1  TRP  20           HE1      TRP  20  16.982   4.416  -2.429
  152    HE3  TRP  20           HE3      TRP  20  12.124   2.210  -2.016
  153    HZ2  TRP  20           HZ2      TRP  20  17.028   1.642  -1.543
  154    HZ3  TRP  20           HZ3      TRP  20  13.090   0.056  -1.279
  155    HH2  TRP  20           HH2      TRP  20  15.512  -0.200  -1.004
  156    H    SER  21           H        SER  21   9.550   5.431  -5.158
  157    HA   SER  21           HA       SER  21   7.849   6.982  -3.339
  158    HB2  SER  21           HB2      SER  21   9.772   8.498  -3.788
  159    HB3  SER  21           HB3      SER  21   9.433   8.385  -5.529
  160    HG   SER  21           HG       SER  21   8.466  10.222  -4.538
  161    H    CYS  22           H        CYS  22   5.942   7.786  -4.268
  162    HA   CYS  22           HA       CYS  22   5.227   7.429  -7.045
  163    HB2  CYS  22           HB2      CYS  22   3.323   5.882  -6.416
  164    HB3  CYS  22           HB3      CYS  22   4.933   5.129  -6.367
  165    HG   CYS  22           HG       CYS  22   5.314   5.466  -3.813
  166    H    SER  23           H        SER  23   2.618   7.849  -7.064
  167    HA   SER  23           HA       SER  23   1.846   9.711  -4.901
  168    HB2  SER  23           HB2      SER  23   1.325  11.509  -6.433
  169    HB3  SER  23           HB3      SER  23   3.034  11.073  -6.629
  170    HG   SER  23           HG       SER  23   1.980  11.283  -8.640
  171    H    VAL  24           H        VAL  24  -0.477  10.558  -5.361
  172    HA   VAL  24           HA       VAL  24  -2.081   8.220  -5.506
  173    HB   VAL  24           HB       VAL  24  -3.550   9.432  -4.450
  174   HG11  VAL  24          HG11      VAL  24  -1.828  11.884  -4.959
  175   HG12  VAL  24          HG12      VAL  24  -3.065  11.681  -3.695
  176   HG13  VAL  24          HG13      VAL  24  -1.588  10.703  -3.642
  177   HG21  VAL  24          HG21      VAL  24  -3.615  11.410  -6.726
  178   HG22  VAL  24          HG22      VAL  24  -4.710  10.023  -6.437
  179   HG23  VAL  24          HG23      VAL  24  -4.701  11.385  -5.312
  180    H    GLU  25           H        GLU  25  -0.956  10.353  -8.022
  181    HA   GLU  25           HA       GLU  25  -3.160   9.738  -9.842
  182    HB2  GLU  25           HB2      GLU  25  -0.438  11.038 -10.260
  183    HB3  GLU  25           HB3      GLU  25  -1.712  10.897 -11.487
  184    HG2  GLU  25           HG2      GLU  25  -3.256  12.190 -10.031
  185    HG3  GLU  25           HG3      GLU  25  -1.972  12.353  -8.819
  186    H    ASP  26           H        ASP  26   0.041   8.377  -9.073
  187    HA   ASP  26           HA       ASP  26   0.132   6.798 -11.532
  188    HB2  ASP  26           HB2      ASP  26   1.690   6.621  -8.918
  189    HB3  ASP  26           HB3      ASP  26   2.041   5.686 -10.381
  190    H    VAL  27           H        VAL  27  -0.919   6.340  -8.140
  191    HA   VAL  27           HA       VAL  27  -1.228   3.488  -8.437
  192    HB   VAL  27           HB       VAL  27  -0.792   4.599  -6.300
  193   HG11  VAL  27          HG11      VAL  27  -2.513   5.836  -5.118
  194   HG12  VAL  27          HG12      VAL  27  -2.170   6.611  -6.679
  195   HG13  VAL  27          HG13      VAL  27  -3.647   5.640  -6.471
  196   HG21  VAL  27          HG21      VAL  27  -3.504   3.236  -6.249
  197   HG22  VAL  27          HG22      VAL  27  -1.946   2.379  -6.381
  198   HG23  VAL  27          HG23      VAL  27  -2.314   3.345  -4.933
  199    H    GLN  28           H        GLN  28  -3.471   6.303  -8.807
  200    HA   GLN  28           HA       GLN  28  -5.738   4.566  -9.245
  201    HB2  GLN  28           HB2      GLN  28  -6.892   6.587  -9.965
  202    HB3  GLN  28           HB3      GLN  28  -5.977   6.883  -8.476
  203    HG2  GLN  28           HG2      GLN  28  -4.138   7.849  -9.865
  204    HG3  GLN  28           HG3      GLN  28  -5.158   7.688 -11.299
  205   HE21  GLN  28          HE21      GLN  28  -5.842   8.798  -7.899
  206   HE22  GLN  28          HE22      GLN  28  -6.438  10.364  -8.369
  207    H    ASN  29           H        ASN  29  -3.116   5.790 -11.250
  208    HA   ASN  29           HA       ASN  29  -4.290   5.063 -13.785
  209    HB2  ASN  29           HB2      ASN  29  -2.530   6.419 -14.229
  210    HB3  ASN  29           HB3      ASN  29  -1.752   6.052 -12.687
  211   HD21  ASN  29          HD21      ASN  29  -0.377   4.242 -12.466
  212   HD22  ASN  29          HD22      ASN  29   0.387   3.521 -13.862
  213    H    PHE  30           H        PHE  30  -2.835   3.218 -11.169
  214    HA   PHE  30           HA       PHE  30  -2.234   0.969 -13.008
  215    HB2  PHE  30           HB2      PHE  30  -0.481   1.667 -11.550
  216    HB3  PHE  30           HB3      PHE  30  -1.513   1.531 -10.128
  217    HD1  PHE  30           HD1      PHE  30   0.295  -0.364 -12.763
  218    HD2  PHE  30           HD2      PHE  30  -1.914  -0.607  -9.084
  219    HE1  PHE  30           HE1      PHE  30   0.987  -2.730 -12.494
  220    HE2  PHE  30           HE2      PHE  30  -1.280  -2.970  -8.842
  221    HZ   PHE  30           HZ       PHE  30   0.208  -4.039 -10.535
  222    H    LEU  31           H        LEU  31  -4.471   1.903 -10.425
  223    HA   LEU  31           HA       LEU  31  -5.725  -0.799 -10.576
  224    HB2  LEU  31           HB2      LEU  31  -6.107   1.449  -8.543
  225    HB3  LEU  31           HB3      LEU  31  -7.041  -0.037  -8.608
  226    HG   LEU  31           HG       LEU  31  -5.527  -0.511  -6.952
  227   HD11  LEU  31          HD11      LEU  31  -5.550  -2.285  -8.658
  228   HD12  LEU  31          HD12      LEU  31  -4.103  -1.563  -9.413
  229   HD13  LEU  31          HD13      LEU  31  -4.018  -2.207  -7.759
  230   HD21  LEU  31          HD21      LEU  31  -4.158   1.456  -7.209
  231   HD22  LEU  31          HD22      LEU  31  -3.147   0.006  -7.023
  232   HD23  LEU  31          HD23      LEU  31  -3.354   0.752  -8.628
  233    H    SER  32           H        SER  32  -5.991   0.358 -12.846
  234    HA   SER  32           HA       SER  32  -7.922   2.384 -13.211
  235    HB2  SER  32           HB2      SER  32  -7.795   1.677 -15.575
  236    HB3  SER  32           HB3      SER  32  -6.191   1.804 -14.822
  237    HG   SER  32           HG       SER  32  -6.450  -0.133 -16.033
  238    H    ASP  33           H        ASP  33  -8.715  -0.388 -11.770
  239    HA   ASP  33           HA       ASP  33 -11.380  -0.515 -13.110
  240    HB2  ASP  33           HB2      ASP  33  -9.963  -2.819 -11.728
  241    HB3  ASP  33           HB3      ASP  33 -11.491  -2.877 -12.609
  242    H    CYS  34           H        CYS  34  -9.873   0.684 -10.492
  243    HA   CYS  34           HA       CYS  34 -11.869  -0.280  -8.504
  244    HB2  CYS  34           HB2      CYS  34  -9.080   0.899  -8.200
  245    HB3  CYS  34           HB3      CYS  34 -10.149   0.460  -6.852
  246    HG   CYS  34           HG       CYS  34 -10.442  -2.041  -7.505
  247    H    THR  35           H        THR  35 -11.937   1.567  -6.651
  248    HA   THR  35           HA       THR  35 -12.674   4.092  -8.042
  249    HB   THR  35           HB       THR  35 -14.209   2.291  -6.175
  250    HG1  THR  35           HG1      THR  35 -15.827   2.776  -7.678
  251   HG21  THR  35          HG21      THR  35 -14.705   5.272  -6.449
  252   HG22  THR  35          HG22      THR  35 -15.843   4.098  -5.736
  253   HG23  THR  35          HG23      THR  35 -14.266   4.376  -4.969
  254    H    ILE  36           H        ILE  36 -10.962   2.628  -5.555
  255    HA   ILE  36           HA       ILE  36  -9.651   3.429  -3.863
  256    HB   ILE  36           HB       ILE  36  -9.601   5.777  -5.748
  257   HG12  ILE  36          HG12      ILE  36  -7.398   3.766  -5.585
  258   HG13  ILE  36          HG13      ILE  36  -8.910   3.200  -6.308
  259   HG21  ILE  36          HG21      ILE  36  -7.828   5.027  -3.407
  260   HG22  ILE  36          HG22      ILE  36  -7.214   6.011  -4.762
  261   HG23  ILE  36          HG23      ILE  36  -8.550   6.609  -3.772
  262   HD11  ILE  36          HD11      ILE  36  -8.947   5.092  -7.849
  263   HD12  ILE  36          HD12      ILE  36  -7.420   5.705  -7.155
  264   HD13  ILE  36          HD13      ILE  36  -7.448   4.147  -8.026
  265    H    HIS  37           H        HIS  37 -12.515   3.768  -3.603
  266    HA   HIS  37           HA       HIS  37 -14.041   4.584  -2.174
  267    HB2  HIS  37           HB2      HIS  37 -12.070   4.110  -0.649
  268    HB3  HIS  37           HB3      HIS  37 -11.779   5.846  -0.643
  269    HD1  HIS  37           HD1      HIS  37 -13.999   3.193   0.870
  270    HD2  HIS  37           HD2      HIS  37 -13.833   7.377   0.510
  271    HE1  HIS  37           HE1      HIS  37 -15.637   4.137   2.588
  272    H    ASP  38           H        ASP  38 -11.923   6.840  -3.717
  273    HA   ASP  38           HA       ASP  38 -14.102   8.771  -4.050
  274    HB2  ASP  38           HB2      ASP  38 -11.515   9.427  -2.593
  275    HB3  ASP  38           HB3      ASP  38 -12.519  10.646  -3.390
  276    H    GLY  39           H        GLY  39 -10.696   7.826  -4.519
  277    HA2  GLY  39           HA2      GLY  39 -10.129   7.356  -6.901
  278    HA3  GLY  39           HA3      GLY  39 -10.759   8.971  -7.277
  279    H    ALA  40           H        ALA  40  -9.757  10.242  -4.983
  280    HA   ALA  40           HA       ALA  40  -6.810  10.067  -5.061
  281    HB1  ALA  40           HB1      ALA  40  -8.423  12.538  -5.824
  282    HB2  ALA  40           HB2      ALA  40  -6.653  12.480  -5.642
  283    HB3  ALA  40           HB3      ALA  40  -7.445  11.557  -6.944
  284    H    ALA  41           H        ALA  41  -9.422   9.985  -3.257
  285    HA   ALA  41           HA       ALA  41  -8.234  11.616  -1.073
  286    HB1  ALA  41           HB1      ALA  41 -10.184  12.794  -2.017
  287    HB2  ALA  41           HB2      ALA  41 -11.199  11.374  -1.699
  288    HB3  ALA  41           HB3      ALA  41 -10.477  12.268  -0.346
  289    H    GLY  42           H        GLY  42  -8.394   8.641  -1.992
  290    HA2  GLY  42           HA2      GLY  42  -8.962   7.581   0.739
  291    HA3  GLY  42           HA3      GLY  42  -9.384   6.690  -0.742
  292    H    VAL  43           H        VAL  43  -6.599   8.442  -1.353
  293    HA   VAL  43           HA       VAL  43  -4.878   6.135  -1.345
  294    HB   VAL  43           HB       VAL  43  -4.845   8.208  -2.928
  295   HG11  VAL  43          HG11      VAL  43  -4.871   9.908  -1.121
  296   HG12  VAL  43          HG12      VAL  43  -3.246   9.374  -0.618
  297   HG13  VAL  43          HG13      VAL  43  -3.492  10.082  -2.221
  298   HG21  VAL  43          HG21      VAL  43  -2.244   7.297  -1.645
  299   HG22  VAL  43          HG22      VAL  43  -3.141   6.420  -2.905
  300   HG23  VAL  43          HG23      VAL  43  -2.448   8.014  -3.256
  301    H    HIS  44           H        HIS  44  -2.823   5.982  -0.133
  302    HA   HIS  44           HA       HIS  44  -2.456   7.756   2.197
  303    HB2  HIS  44           HB2      HIS  44  -2.857   4.749   2.346
  304    HB3  HIS  44           HB3      HIS  44  -1.962   5.651   3.569
  305    HD1  HIS  44           HD1      HIS  44  -3.492   7.659   4.850
  306    HD2  HIS  44           HD2      HIS  44  -5.428   4.601   2.723
  307    HE1  HIS  44           HE1      HIS  44  -5.900   7.611   5.685
  308    H    PHE  45           H        PHE  45  -0.281   7.666   2.997
  309    HA   PHE  45           HA       PHE  45   1.658   5.902   1.661
  310    HB2  PHE  45           HB2      PHE  45   1.826   8.942   1.587
  311    HB3  PHE  45           HB3      PHE  45   3.100   7.830   1.087
  312    HD1  PHE  45           HD1      PHE  45   2.671   6.275  -0.889
  313    HD2  PHE  45           HD2      PHE  45   0.122   9.594   0.087
  314    HE1  PHE  45           HE1      PHE  45   1.667   6.173  -3.157
  315    HE2  PHE  45           HE2      PHE  45  -0.859   9.507  -2.181
  316    HZ   PHE  45           HZ       PHE  45  -0.104   7.776  -3.802
  317    H    ILE  46           H        ILE  46   3.752   5.979   2.766
  318    HA   ILE  46           HA       ILE  46   3.738   7.314   5.420
  319    HB   ILE  46           HB       ILE  46   4.545   4.401   4.988
  320   HG12  ILE  46          HG12      ILE  46   2.491   4.180   6.691
  321   HG13  ILE  46          HG13      ILE  46   1.918   5.609   5.832
  322   HG21  ILE  46          HG21      ILE  46   4.157   6.107   7.483
  323   HG22  ILE  46          HG22      ILE  46   4.591   4.384   7.453
  324   HG23  ILE  46          HG23      ILE  46   5.721   5.587   6.804
  325   HD11  ILE  46          HD11      ILE  46   2.664   2.894   4.662
  326   HD12  ILE  46          HD12      ILE  46   1.031   3.557   4.828
  327   HD13  ILE  46          HD13      ILE  46   2.160   4.299   3.684
  328    H    TYR  47           H        TYR  47   5.814   8.005   6.045
  329    HA   TYR  47           HA       TYR  47   8.197   7.113   4.669
  330    HB2  TYR  47           HB2      TYR  47   8.718   9.285   3.609
  331    HB3  TYR  47           HB3      TYR  47   7.312   8.506   2.891
  332    HD1  TYR  47           HD1      TYR  47   8.454  11.280   5.053
  333    HD2  TYR  47           HD2      TYR  47   5.126   9.463   3.032
  334    HE1  TYR  47           HE1      TYR  47   7.109  13.331   5.447
  335    HE2  TYR  47           HE2      TYR  47   3.765  11.515   3.415
  336    HH   TYR  47           HH       TYR  47   3.716  13.623   4.308
  337    H    THR  48           H        THR  48  10.104   8.531   5.265
  338    HA   THR  48           HA       THR  48   9.758  10.095   7.748
  339    HB   THR  48           HB       THR  48  11.568   8.878   8.874
  340    HG1  THR  48           HG1      THR  48  11.379   7.090   6.683
  341   HG21  THR  48          HG21      THR  48  10.420   6.803   9.412
  342   HG22  THR  48          HG22      THR  48   9.230   8.113   9.251
  343   HG23  THR  48          HG23      THR  48   9.432   6.925   7.938
  344    H    ARG  49           H        ARG  49  11.650  11.346   8.251
  345    HA   ARG  49           HA       ARG  49  12.938  13.062   7.536
  346    HB2  ARG  49           HB2      ARG  49  15.235  12.332   7.112
  347    HB3  ARG  49           HB3      ARG  49  14.447  11.492   8.444
  348    HG2  ARG  49           HG2      ARG  49  15.755   9.906   7.278
  349    HG3  ARG  49           HG3      ARG  49  14.063   9.519   6.953
  350    HD2  ARG  49           HD2      ARG  49  14.213  10.477   4.734
  351    HD3  ARG  49           HD3      ARG  49  15.813  11.155   5.074
  352    HE   ARG  49           HE       ARG  49  15.161   8.369   4.409
  353   HH11  ARG  49          HH11      ARG  49  17.582  10.611   5.680
  354   HH12  ARG  49          HH12      ARG  49  18.922   9.549   5.320
  355   HH21  ARG  49          HH21      ARG  49  16.938   7.013   3.933
  356   HH22  ARG  49          HH22      ARG  49  18.558   7.519   4.349
  357    H    GLU  50           H        GLU  50  10.993  12.574   5.565
  358    HA   GLU  50           HA       GLU  50  10.512  12.592   3.334
  359    HB2  GLU  50           HB2      GLU  50  12.366  14.982   3.619
  360    HB3  GLU  50           HB3      GLU  50  11.180  14.752   2.312
  361    HG2  GLU  50           HG2      GLU  50   9.348  14.672   3.929
  362    HG3  GLU  50           HG3      GLU  50  10.499  14.765   5.273
  363    H    GLY  51           H        GLY  51  12.406  10.605   3.597
  364    HA2  GLY  51           HA2      GLY  51  13.757  10.833   0.961
  365    HA3  GLY  51           HA3      GLY  51  14.784  10.557   2.371
  366    H    ARG  52           H        ARG  52  12.172   8.776   3.282
  367    HA   ARG  52           HA       ARG  52  12.440   6.548   1.396
  368    HB2  ARG  52           HB2      ARG  52  13.102   4.956   3.158
  369    HB3  ARG  52           HB3      ARG  52  14.356   6.182   2.889
  370    HG2  ARG  52           HG2      ARG  52  13.513   7.456   4.862
  371    HG3  ARG  52           HG3      ARG  52  12.287   6.197   5.131
  372    HD2  ARG  52           HD2      ARG  52  14.059   4.518   5.438
  373    HD3  ARG  52           HD3      ARG  52  15.297   5.751   5.119
  374    HE   ARG  52           HE       ARG  52  13.574   6.609   7.246
  375   HH11  ARG  52          HH11      ARG  52  16.190   4.326   6.572
  376   HH12  ARG  52          HH12      ARG  52  16.759   4.309   8.225
  377   HH21  ARG  52          HH21      ARG  52  14.333   6.565   9.387
  378   HH22  ARG  52          HH22      ARG  52  15.709   5.575   9.816
  379    H    GLN  53           H        GLN  53  10.785   4.864   1.871
  380    HA   GLN  53           HA       GLN  53   8.387   6.209   2.929
  381    HB2  GLN  53           HB2      GLN  53   8.701   3.489   1.612
  382    HB3  GLN  53           HB3      GLN  53   7.175   4.311   1.961
  383    HG2  GLN  53           HG2      GLN  53   9.348   5.340   0.090
  384    HG3  GLN  53           HG3      GLN  53   7.849   4.554  -0.413
  385   HE21  GLN  53          HE21      GLN  53   9.335   7.542   0.496
  386   HE22  GLN  53          HE22      GLN  53   7.886   8.525   0.519
  387    H    SER  54           H        SER  54  10.569   3.557   3.779
  388    HA   SER  54           HA       SER  54  10.597   2.010   5.425
  389    HB2  SER  54           HB2      SER  54   9.546   4.370   7.018
  390    HB3  SER  54           HB3      SER  54  10.360   2.939   7.686
  391    HG   SER  54           HG       SER  54  11.805   4.671   7.345
  392    H    GLY  55           H        GLY  55   7.786   2.386   4.046
  393    HA2  GLY  55           HA2      GLY  55   6.480   0.299   5.479
  394    HA3  GLY  55           HA3      GLY  55   5.779   1.856   5.951
  395    H    GLU  56           H        GLU  56   6.966   1.803   2.689
  396    HA   GLU  56           HA       GLU  56   5.862   2.108   0.721
  397    HB2  GLU  56           HB2      GLU  56   4.259  -0.287   1.646
  398    HB3  GLU  56           HB3      GLU  56   4.562   0.254  -0.015
  399    HG2  GLU  56           HG2      GLU  56   6.612  -0.764   1.984
  400    HG3  GLU  56           HG3      GLU  56   6.067  -1.599   0.536
  401    H    ALA  57           H        ALA  57   2.824   1.036   0.692
  402    HA   ALA  57           HA       ALA  57   1.535   3.408   1.873
  403    HB1  ALA  57           HB1      ALA  57   1.725   2.865  -1.126
  404    HB2  ALA  57           HB2      ALA  57   0.688   4.100  -0.389
  405    HB3  ALA  57           HB3      ALA  57   2.456   4.229  -0.253
  406    H    PHE  58           H        PHE  58  -0.872   3.444   0.916
  407    HA   PHE  58           HA       PHE  58  -1.971   0.716   0.568
  408    HB2  PHE  58           HB2      PHE  58  -2.917   2.651   2.713
  409    HB3  PHE  58           HB3      PHE  58  -3.660   1.115   2.319
  410    HD1  PHE  58           HD1      PHE  58  -2.511  -1.037   2.892
  411    HD2  PHE  58           HD2      PHE  58  -0.996   2.801   4.082
  412    HE1  PHE  58           HE1      PHE  58  -1.103  -2.131   4.621
  413    HE2  PHE  58           HE2      PHE  58   0.385   1.729   5.814
  414    HZ   PHE  58           HZ       PHE  58   0.347  -0.756   6.092
  415    H    VAL  59           H        VAL  59  -4.389   0.868   0.222
  416    HA   VAL  59           HA       VAL  59  -5.357   3.423  -0.907
  417    HB   VAL  59           HB       VAL  59  -5.328   0.790  -2.452
  418   HG11  VAL  59          HG11      VAL  59  -7.315   2.219  -2.871
  419   HG12  VAL  59          HG12      VAL  59  -6.231   3.581  -3.249
  420   HG13  VAL  59          HG13      VAL  59  -6.248   2.140  -4.288
  421   HG21  VAL  59          HG21      VAL  59  -3.770   3.355  -2.968
  422   HG22  VAL  59          HG22      VAL  59  -3.081   1.789  -2.470
  423   HG23  VAL  59          HG23      VAL  59  -3.858   1.947  -4.055
  424    H    GLU  60           H        GLU  60  -7.254   3.670   0.250
  425    HA   GLU  60           HA       GLU  60  -8.838   1.336   1.048
  426    HB2  GLU  60           HB2      GLU  60  -9.480   4.318   1.064
  427    HB3  GLU  60           HB3      GLU  60 -10.468   3.043   1.793
  428    HG2  GLU  60           HG2      GLU  60  -8.521   2.411   3.239
  429    HG3  GLU  60           HG3      GLU  60  -7.642   3.815   2.607
  430    H    LEU  61           H        LEU  61 -10.853   0.705   0.125
  431    HA   LEU  61           HA       LEU  61 -11.439   1.941  -2.537
  432    HB2  LEU  61           HB2      LEU  61 -11.959  -0.933  -1.792
  433    HB3  LEU  61           HB3      LEU  61 -11.965  -0.216  -3.391
  434    HG   LEU  61           HG       LEU  61  -9.414  -0.300  -1.717
  435   HD11  LEU  61          HD11      LEU  61 -10.343  -2.556  -1.944
  436   HD12  LEU  61          HD12      LEU  61 -10.409  -2.334  -3.711
  437   HD13  LEU  61          HD13      LEU  61  -8.836  -2.347  -2.877
  438   HD21  LEU  61          HD21      LEU  61  -8.353  -0.123  -3.930
  439   HD22  LEU  61          HD22      LEU  61  -9.947  -0.148  -4.715
  440   HD23  LEU  61          HD23      LEU  61  -9.478   1.230  -3.688
  441    H    GLY  62           H        GLY  62 -13.784   0.750  -3.152
  442    HA2  GLY  62           HA2      GLY  62 -15.568   1.978  -1.121
  443    HA3  GLY  62           HA3      GLY  62 -15.894   1.734  -2.845
  444    H    SER  63           H        SER  63 -14.968  -1.136  -2.827
  445    HA   SER  63           HA       SER  63 -16.966  -2.407  -1.056
  446    HB2  SER  63           HB2      SER  63 -17.145  -2.514  -4.095
  447    HB3  SER  63           HB3      SER  63 -18.113  -3.486  -2.970
  448    HG   SER  63           HG       SER  63 -19.210  -1.608  -3.677
  449    H    GLU  64           H        GLU  64 -17.064  -4.813  -1.492
  450    HA   GLU  64           HA       GLU  64 -14.505  -6.024  -1.296
  451    HB2  GLU  64           HB2      GLU  64 -16.600  -7.000  -0.407
  452    HB3  GLU  64           HB3      GLU  64 -17.242  -7.159  -2.047
  453    HG2  GLU  64           HG2      GLU  64 -15.470  -8.736  -2.635
  454    HG3  GLU  64           HG3      GLU  64 -14.720  -8.531  -1.036
  455    H    ASP  65           H        ASP  65 -16.580  -5.297  -4.110
  456    HA   ASP  65           HA       ASP  65 -15.254  -7.172  -5.832
  457    HB2  ASP  65           HB2      ASP  65 -17.538  -6.193  -6.188
  458    HB3  ASP  65           HB3      ASP  65 -16.784  -4.629  -6.536
  459    H    ASP  66           H        ASP  66 -14.544  -3.868  -4.751
  460    HA   ASP  66           HA       ASP  66 -12.659  -3.298  -6.886
  461    HB2  ASP  66           HB2      ASP  66 -13.173  -2.053  -4.153
  462    HB3  ASP  66           HB3      ASP  66 -12.064  -1.403  -5.364
  463    H    VAL  67           H        VAL  67 -12.472  -4.615  -3.528
  464    HA   VAL  67           HA       VAL  67  -9.583  -4.510  -3.500
  465    HB   VAL  67           HB       VAL  67 -10.531  -4.551  -1.386
  466   HG11  VAL  67          HG11      VAL  67 -12.173  -6.982  -2.073
  467   HG12  VAL  67          HG12      VAL  67 -12.105  -6.146  -0.503
  468   HG13  VAL  67          HG13      VAL  67 -12.760  -5.296  -1.904
  469   HG21  VAL  67          HG21      VAL  67  -9.721  -6.557  -0.295
  470   HG22  VAL  67          HG22      VAL  67  -9.751  -7.450  -1.827
  471   HG23  VAL  67          HG23      VAL  67  -8.590  -6.116  -1.597
  472    H    LYS  68           H        LYS  68 -11.978  -7.022  -4.444
  473    HA   LYS  68           HA       LYS  68 -10.050  -9.049  -4.955
  474    HB2  LYS  68           HB2      LYS  68 -12.775  -8.397  -6.136
  475    HB3  LYS  68           HB3      LYS  68 -11.850  -9.844  -6.582
  476    HG2  LYS  68           HG2      LYS  68 -11.804 -10.600  -4.265
  477    HG3  LYS  68           HG3      LYS  68 -12.617  -9.121  -3.725
  478    HD2  LYS  68           HD2      LYS  68 -14.599  -9.700  -5.102
  479    HD3  LYS  68           HD3      LYS  68 -13.781 -11.180  -5.656
  480    HE2  LYS  68           HE2      LYS  68 -13.636 -11.974  -3.315
  481    HE3  LYS  68           HE3      LYS  68 -14.446 -10.495  -2.766
  482    HZ1  LYS  68           HZ1      LYS  68 -16.367 -11.137  -4.042
  483    HZ2  LYS  68           HZ2      LYS  68 -15.618 -12.505  -4.574
  484    HZ3  LYS  68           HZ3      LYS  68 -15.979 -12.325  -2.980
  485    H    MET  69           H        MET  69 -11.371  -6.438  -7.074
  486    HA   MET  69           HA       MET  69  -9.945  -7.297  -9.399
  487    HB2  MET  69           HB2      MET  69 -11.329  -4.736  -8.570
  488    HB3  MET  69           HB3      MET  69 -10.452  -4.861 -10.101
  489    HG2  MET  69           HG2      MET  69 -11.785  -6.944 -10.612
  490    HG3  MET  69           HG3      MET  69 -12.779  -6.587  -9.200
  491    HE1  MET  69           HE1      MET  69 -12.734  -3.311  -9.459
  492    HE2  MET  69           HE2      MET  69 -14.304  -3.075 -10.260
  493    HE3  MET  69           HE3      MET  69 -14.146  -4.267  -8.949
  494    H    ALA  70           H        ALA  70  -8.990  -5.247  -6.655
  495    HA   ALA  70           HA       ALA  70  -6.712  -4.098  -8.024
  496    HB1  ALA  70           HB1      ALA  70  -7.348  -4.429  -5.066
  497    HB2  ALA  70           HB2      ALA  70  -6.071  -3.392  -5.747
  498    HB3  ALA  70           HB3      ALA  70  -7.777  -3.034  -6.077
  499    H    LEU  71           H        LEU  71  -7.323  -7.075  -6.185
  500    HA   LEU  71           HA       LEU  71  -4.519  -7.738  -5.854
  501    HB2  LEU  71           HB2      LEU  71  -7.087  -9.336  -5.551
  502    HB3  LEU  71           HB3      LEU  71  -5.480  -9.904  -5.057
  503    HG   LEU  71           HG       LEU  71  -6.747  -7.331  -4.024
  504   HD11  LEU  71          HD11      LEU  71  -8.101  -9.255  -3.329
  505   HD12  LEU  71          HD12      LEU  71  -6.637 -10.084  -2.740
  506   HD13  LEU  71          HD13      LEU  71  -7.199  -8.592  -1.945
  507   HD21  LEU  71          HD21      LEU  71  -4.326  -7.359  -3.886
  508   HD22  LEU  71          HD22      LEU  71  -5.064  -7.495  -2.279
  509   HD23  LEU  71          HD23      LEU  71  -4.371  -8.942  -3.063
  510    H    LYS  72           H        LYS  72  -6.807  -8.033  -8.447
  511    HA   LYS  72           HA       LYS  72  -5.711 -10.353  -9.733
  512    HB2  LYS  72           HB2      LYS  72  -7.076  -7.944 -10.980
  513    HB3  LYS  72           HB3      LYS  72  -6.811  -9.511 -11.757
  514    HG2  LYS  72           HG2      LYS  72  -8.585  -8.937  -9.370
  515    HG3  LYS  72           HG3      LYS  72  -9.102  -9.401 -10.993
  516    HD2  LYS  72           HD2      LYS  72  -8.016 -11.620 -10.703
  517    HD3  LYS  72           HD3      LYS  72  -7.471 -11.137  -9.083
  518    HE2  LYS  72           HE2      LYS  72  -9.458 -12.465  -8.834
  519    HE3  LYS  72           HE3      LYS  72  -9.825 -10.788  -8.394
  520    HZ1  LYS  72           HZ1      LYS  72 -11.528 -11.742  -9.782
  521    HZ2  LYS  72           HZ2      LYS  72 -10.792 -10.506 -10.582
  522    HZ3  LYS  72           HZ3      LYS  72 -10.446 -12.065 -10.978
  523    H    LYS  73           H        LYS  73  -4.217  -7.317  -9.240
  524    HA   LYS  73           HA       LYS  73  -2.272  -7.984 -11.360
  525    HB2  LYS  73           HB2      LYS  73  -2.051  -5.629 -11.975
  526    HB3  LYS  73           HB3      LYS  73  -3.707  -6.176 -12.256
  527    HG2  LYS  73           HG2      LYS  73  -3.011  -4.909  -9.603
  528    HG3  LYS  73           HG3      LYS  73  -3.093  -3.885 -11.038
  529    HD2  LYS  73           HD2      LYS  73  -5.356  -5.734 -10.197
  530    HD3  LYS  73           HD3      LYS  73  -5.230  -4.048  -9.707
  531    HE2  LYS  73           HE2      LYS  73  -5.169  -3.368 -12.108
  532    HE3  LYS  73           HE3      LYS  73  -5.368  -5.066 -12.578
  533    HZ1  LYS  73           HZ1      LYS  73  -7.464  -3.920 -12.570
  534    HZ2  LYS  73           HZ2      LYS  73  -7.462  -5.069 -11.385
  535    HZ3  LYS  73           HZ3      LYS  73  -7.279  -3.484 -10.994
  536    H    ASP  74           H        ASP  74  -2.439  -8.460  -8.550
  537    HA   ASP  74           HA       ASP  74  -1.013  -6.846  -6.871
  538    HB2  ASP  74           HB2      ASP  74  -0.596  -8.911  -5.590
  539    HB3  ASP  74           HB3      ASP  74  -2.260  -8.728  -6.165
  540    H    ARG  75           H        ARG  75   0.534  -8.094  -9.657
  541    HA   ARG  75           HA       ARG  75   2.992  -6.951  -8.597
  542    HB2  ARG  75           HB2      ARG  75   4.378  -8.939  -9.303
  543    HB3  ARG  75           HB3      ARG  75   3.497  -9.036  -7.781
  544    HG2  ARG  75           HG2      ARG  75   1.761 -10.402  -8.797
  545    HG3  ARG  75           HG3      ARG  75   2.520 -10.235 -10.410
  546    HD2  ARG  75           HD2      ARG  75   4.567 -11.286  -9.542
  547    HD3  ARG  75           HD3      ARG  75   3.827 -11.407  -7.933
  548    HE   ARG  75           HE       ARG  75   2.153 -12.707  -9.854
  549   HH11  ARG  75          HH11      ARG  75   5.231 -13.124  -8.175
  550   HH12  ARG  75          HH12      ARG  75   5.189 -14.869  -8.274
  551   HH21  ARG  75          HH21      ARG  75   2.112 -14.989  -9.958
  552   HH22  ARG  75          HH22      ARG  75   3.420 -15.922  -9.273
  553    H    GLU  76           H        GLU  76   0.980  -6.484 -10.836
  554    HA   GLU  76           HA       GLU  76   2.432  -6.966 -13.288
  555    HB2  GLU  76           HB2      GLU  76   0.235  -4.953 -12.716
  556    HB3  GLU  76           HB3      GLU  76   0.812  -5.468 -14.313
  557    HG2  GLU  76           HG2      GLU  76  -0.582  -7.124 -12.228
  558    HG3  GLU  76           HG3      GLU  76  -1.181  -6.688 -13.834
  559    H    SER  77           H        SER  77   2.214  -4.482 -14.539
  560    HA   SER  77           HA       SER  77   4.106  -2.677 -13.138
  561    HB2  SER  77           HB2      SER  77   5.535  -4.257 -14.362
  562    HB3  SER  77           HB3      SER  77   4.595  -3.980 -15.848
  563    HG   SER  77           HG       SER  77   6.127  -2.074 -14.411
  564    H    MET  78           H        MET  78   4.146  -0.557 -13.987
  565    HA   MET  78           HA       MET  78   1.737   0.300 -15.373
  566    HB2  MET  78           HB2      MET  78   4.282   1.742 -14.511
  567    HB3  MET  78           HB3      MET  78   2.858   2.552 -15.203
  568    HG2  MET  78           HG2      MET  78   1.458   1.745 -13.381
  569    HG3  MET  78           HG3      MET  78   2.812   0.833 -12.705
  570    HE1  MET  78           HE1      MET  78   0.930   2.942 -11.085
  571    HE2  MET  78           HE2      MET  78   2.152   1.829 -10.441
  572    HE3  MET  78           HE3      MET  78   2.207   3.555 -10.012
  573    H    GLY  79           H        GLY  79   4.742  -0.964 -16.389
  574    HA2  GLY  79           HA2      GLY  79   4.719  -1.399 -18.867
  575    HA3  GLY  79           HA3      GLY  79   4.494   0.351 -19.058
  576    H    HIS  80           H        HIS  80   6.464   0.084 -16.388
  577    HA   HIS  80           HA       HIS  80   8.976  -0.240 -17.898
  578    HB2  HIS  80           HB2      HIS  80   8.139   2.108 -18.250
  579    HB3  HIS  80           HB3      HIS  80   8.281   2.370 -16.510
  580    HD1  HIS  80           HD1      HIS  80  10.383   2.195 -19.665
  581    HD2  HIS  80           HD2      HIS  80  10.845   2.395 -15.494
  582    HE1  HIS  80           HE1      HIS  80  12.815   2.837 -19.233
  583    H    ARG  81           H        ARG  81   7.216  -0.235 -14.856
  584    HA   ARG  81           HA       ARG  81   9.596  -1.386 -13.601
  585    HB2  ARG  81           HB2      ARG  81   9.884   1.050 -13.254
  586    HB3  ARG  81           HB3      ARG  81   8.288   1.128 -12.500
  587    HG2  ARG  81           HG2      ARG  81  10.048   1.103 -10.800
  588    HG3  ARG  81           HG3      ARG  81   9.070  -0.365 -10.683
  589    HD2  ARG  81           HD2      ARG  81  10.862  -1.540 -12.064
  590    HD3  ARG  81           HD3      ARG  81  11.842  -0.073 -11.895
  591    HE   ARG  81           HE       ARG  81  10.802  -1.264  -9.399
  592   HH11  ARG  81          HH11      ARG  81  13.539  -0.971 -11.625
  593   HH12  ARG  81          HH12      ARG  81  14.697  -1.541 -10.445
  594   HH21  ARG  81          HH21      ARG  81  12.319  -2.020  -7.908
  595   HH22  ARG  81          HH22      ARG  81  14.010  -2.124  -8.342
  596    H    TYR  82           H        TYR  82   9.213  -2.417 -11.641
  597    HA   TYR  82           HA       TYR  82   6.832  -3.972 -11.537
  598    HB2  TYR  82           HB2      TYR  82   9.162  -4.645 -11.102
  599    HB3  TYR  82           HB3      TYR  82   9.232  -3.563  -9.730
  600    HD1  TYR  82           HD1      TYR  82   6.085  -5.468  -9.753
  601    HD2  TYR  82           HD2      TYR  82  10.276  -5.554  -8.766
  602    HE1  TYR  82           HE1      TYR  82   5.688  -7.369  -8.196
  603    HE2  TYR  82           HE2      TYR  82   9.891  -7.463  -7.255
  604    HH   TYR  82           HH       TYR  82   8.373  -8.965  -6.441
  605    H    ILE  83           H        ILE  83   5.014  -3.676 -10.542
  606    HA   ILE  83           HA       ILE  83   4.866  -1.868  -8.184
  607    HB   ILE  83           HB       ILE  83   2.595  -2.565 -10.074
  608   HG12  ILE  83          HG12      ILE  83   4.238  -1.329 -11.401
  609   HG13  ILE  83          HG13      ILE  83   2.756  -0.411 -11.120
  610   HG21  ILE  83          HG21      ILE  83   2.941  -0.461  -7.901
  611   HG22  ILE  83          HG22      ILE  83   1.585  -0.485  -9.055
  612   HG23  ILE  83          HG23      ILE  83   1.802  -1.821  -7.918
  613   HD11  ILE  83          HD11      ILE  83   5.397  -0.017  -9.661
  614   HD12  ILE  83          HD12      ILE  83   4.686   1.035 -10.906
  615   HD13  ILE  83          HD13      ILE  83   3.895   0.882  -9.327
  616    H    GLU  84           H        GLU  84   3.159  -2.624  -6.609
  617    HA   GLU  84           HA       GLU  84   2.364  -5.459  -6.917
  618    HB2  GLU  84           HB2      GLU  84   4.295  -4.319  -4.931
  619    HB3  GLU  84           HB3      GLU  84   3.151  -5.551  -4.368
  620    HG2  GLU  84           HG2      GLU  84   3.920  -7.048  -6.236
  621    HG3  GLU  84           HG3      GLU  84   5.167  -5.842  -6.619
  622    H    VAL  85           H        VAL  85   0.771  -6.137  -5.450
  623    HA   VAL  85           HA       VAL  85  -0.568  -4.072  -3.815
  624    HB   VAL  85           HB       VAL  85  -2.183  -5.907  -5.609
  625   HG11  VAL  85          HG11      VAL  85  -2.780  -3.269  -4.222
  626   HG12  VAL  85          HG12      VAL  85  -3.914  -4.185  -5.237
  627   HG13  VAL  85          HG13      VAL  85  -3.340  -4.885  -3.715
  628   HG21  VAL  85          HG21      VAL  85  -0.846  -4.568  -7.162
  629   HG22  VAL  85          HG22      VAL  85  -2.526  -4.013  -7.152
  630   HG23  VAL  85          HG23      VAL  85  -1.287  -3.082  -6.277
  631    H    PHE  86           H        PHE  86  -1.878  -5.074  -2.139
  632    HA   PHE  86           HA       PHE  86  -1.939  -8.000  -1.947
  633    HB2  PHE  86           HB2      PHE  86   0.345  -7.219  -1.158
  634    HB3  PHE  86           HB3      PHE  86  -0.459  -6.380   0.156
  635    HD1  PHE  86           HD1      PHE  86  -1.595  -7.693   1.919
  636    HD2  PHE  86           HD2      PHE  86   0.710  -9.624  -1.163
  637    HE1  PHE  86           HE1      PHE  86  -1.440  -9.726   3.321
  638    HE2  PHE  86           HE2      PHE  86   0.905 -11.625   0.257
  639    HZ   PHE  86           HZ       PHE  86  -0.177 -11.705   2.488
  640    H    LYS  87           H        LYS  87  -3.348  -8.658  -0.094
  641    HA   LYS  87           HA       LYS  87  -5.564  -6.822   0.019
  642    HB2  LYS  87           HB2      LYS  87  -5.658  -9.328  -0.153
  643    HB3  LYS  87           HB3      LYS  87  -5.166  -9.421   1.549
  644    HG2  LYS  87           HG2      LYS  87  -7.149  -8.035   2.146
  645    HG3  LYS  87           HG3      LYS  87  -7.610  -7.988   0.432
  646    HD2  LYS  87           HD2      LYS  87  -7.856 -10.449   0.426
  647    HD3  LYS  87           HD3      LYS  87  -7.349 -10.509   2.132
  648    HE2  LYS  87           HE2      LYS  87  -9.281  -9.074   2.748
  649    HE3  LYS  87           HE3      LYS  87  -9.798  -9.049   1.052
  650    HZ1  LYS  87           HZ1      LYS  87 -10.975 -10.705   2.321
  651    HZ2  LYS  87           HZ2      LYS  87 -10.059 -11.433   1.165
  652    HZ3  LYS  87           HZ3      LYS  87  -9.571 -11.454   2.738
  653    H    SER  88           H        SER  88  -6.536  -5.899   1.871
  654    HA   SER  88           HA       SER  88  -4.893  -5.744   4.339
  655    HB2  SER  88           HB2      SER  88  -4.198  -3.864   2.900
  656    HB3  SER  88           HB3      SER  88  -5.884  -3.319   2.804
  657    HG   SER  88           HG       SER  88  -4.639  -2.260   4.450
  658    H    HIS  89           H        HIS  89  -6.210  -4.298   5.981
  659    HA   HIS  89           HA       HIS  89  -9.106  -4.841   5.866
  660    HB2  HIS  89           HB2      HIS  89  -8.835  -6.119   8.100
  661    HB3  HIS  89           HB3      HIS  89  -8.434  -6.968   6.601
  662    HD1  HIS  89           HD1      HIS  89  -6.776  -5.595   9.757
  663    HD2  HIS  89           HD2      HIS  89  -5.822  -7.532   6.154
  664    HE1  HIS  89           HE1      HIS  89  -4.337  -6.343   9.953
  665    H    ARG  90           H        ARG  90  -6.851  -2.690   6.408
  666    HA   ARG  90           HA       ARG  90  -6.943  -0.614   7.257
  667    HB2  ARG  90           HB2      ARG  90  -9.433  -1.407   8.813
  668    HB3  ARG  90           HB3      ARG  90  -8.718   0.202   8.709
  669    HG2  ARG  90           HG2      ARG  90  -8.935   0.055   6.196
  670    HG3  ARG  90           HG3      ARG  90  -9.945  -1.392   6.446
  671    HD2  ARG  90           HD2      ARG  90 -10.441   1.418   7.506
  672    HD3  ARG  90           HD3      ARG  90 -11.340   0.617   6.208
  673    HE   ARG  90           HE       ARG  90 -11.799  -1.118   8.187
  674   HH11  ARG  90          HH11      ARG  90 -11.840   2.428   8.264
  675   HH12  ARG  90          HH12      ARG  90 -13.019   2.488   9.558
  676   HH21  ARG  90          HH21      ARG  90 -13.359  -0.967   9.884
  677   HH22  ARG  90          HH22      ARG  90 -13.849   0.618  10.453
  678    H    THR  91           H        THR  91  -7.088  -3.380   9.492
  679    HA   THR  91           HA       THR  91  -6.219  -1.881  11.790
  680    HB   THR  91           HB       THR  91  -5.743  -4.823  11.163
  681    HG1  THR  91           HG1      THR  91  -7.696  -5.076  12.329
  682   HG21  THR  91          HG21      THR  91  -4.428  -3.981  13.051
  683   HG22  THR  91          HG22      THR  91  -5.884  -3.250  13.768
  684   HG23  THR  91          HG23      THR  91  -5.742  -5.022  13.641
  685    H    GLU  92           H        GLU  92  -4.474  -3.655   9.202
  686    HA   GLU  92           HA       GLU  92  -1.828  -3.131  10.240
  687    HB2  GLU  92           HB2      GLU  92  -2.413  -4.869   8.522
  688    HB3  GLU  92           HB3      GLU  92  -2.806  -3.555   7.391
  689    HG2  GLU  92           HG2      GLU  92  -0.550  -4.327   6.936
  690    HG3  GLU  92           HG3      GLU  92  -0.462  -2.704   7.620
  691    H    MET  93           H        MET  93  -4.002  -1.498   7.921
  692    HA   MET  93           HA       MET  93  -2.126   0.437   7.030
  693    HB2  MET  93           HB2      MET  93  -4.125  -0.170   5.809
  694    HB3  MET  93           HB3      MET  93  -5.166   0.420   7.107
  695    HG2  MET  93           HG2      MET  93  -3.189   2.258   5.751
  696    HG3  MET  93           HG3      MET  93  -4.737   1.887   4.994
  697    HE1  MET  93           HE1      MET  93  -6.848   1.711   7.308
  698    HE2  MET  93           HE2      MET  93  -7.417   3.395   7.276
  699    HE3  MET  93           HE3      MET  93  -7.035   2.557   5.755
  700    H    ASP  94           H        ASP  94  -4.539   0.508   9.697
  701    HA   ASP  94           HA       ASP  94  -4.158   3.250  10.380
  702    HB2  ASP  94           HB2      ASP  94  -6.056   1.789  11.078
  703    HB3  ASP  94           HB3      ASP  94  -4.949   0.903  12.127
  704    H    TRP  95           H        TRP  95  -2.426   0.285  11.222
  705    HA   TRP  95           HA       TRP  95  -1.113   1.331  13.556
  706    HB2  TRP  95           HB2      TRP  95  -1.474  -1.059  13.140
  707    HB3  TRP  95           HB3      TRP  95  -0.440  -0.989  11.719
  708    HD1  TRP  95           HD1      TRP  95  -0.242  -0.728  15.545
  709    HE1  TRP  95           HE1      TRP  95   2.105  -1.329  16.331
  710    HE3  TRP  95           HE3      TRP  95   2.023  -1.207  10.987
  711    HZ2  TRP  95           HZ2      TRP  95   4.676  -1.923  15.129
  712    HZ3  TRP  95           HZ3      TRP  95   4.425  -1.761  10.841
  713    HH2  TRP  95           HH2      TRP  95   5.762  -2.125  12.898
  714    H    VAL  96           H        VAL  96   0.117   0.726  10.185
  715    HA   VAL  96           HA       VAL  96   2.672   1.909  10.900
  716    HB   VAL  96           HB       VAL  96   2.616   0.088   9.324
  717   HG11  VAL  96          HG11      VAL  96   0.723   1.817   7.771
  718   HG12  VAL  96          HG12      VAL  96   1.640   0.457   7.056
  719   HG13  VAL  96          HG13      VAL  96   0.495   0.153   8.374
  720   HG21  VAL  96          HG21      VAL  96   3.308   2.630   7.830
  721   HG22  VAL  96          HG22      VAL  96   4.356   1.836   9.030
  722   HG23  VAL  96          HG23      VAL  96   3.931   0.998   7.521
  723    H    LEU  97           H        LEU  97  -0.331   3.179   9.457
  724    HA   LEU  97           HA       LEU  97   0.842   5.600   8.455
  725    HB2  LEU  97           HB2      LEU  97  -1.860   4.532   9.060
  726    HB3  LEU  97           HB3      LEU  97  -1.723   6.270   9.275
  727    HG   LEU  97           HG       LEU  97  -2.570   5.786   7.089
  728   HD11  LEU  97          HD11      LEU  97   0.306   6.760   6.878
  729   HD12  LEU  97          HD12      LEU  97  -1.004   7.062   5.723
  730   HD13  LEU  97          HD13      LEU  97  -1.091   7.749   7.359
  731   HD21  LEU  97          HD21      LEU  97  -1.673   3.574   6.669
  732   HD22  LEU  97          HD22      LEU  97  -1.210   4.665   5.363
  733   HD23  LEU  97          HD23      LEU  97  -0.016   4.221   6.614
  734    H    LYS  98           H        LYS  98   0.706   4.441  11.649
  735    HA   LYS  98           HA       LYS  98   0.810   7.185  12.775
  736    HB2  LYS  98           HB2      LYS  98  -0.894   4.878  13.762
  737    HB3  LYS  98           HB3      LYS  98  -0.663   6.425  14.593
  738    HG2  LYS  98           HG2      LYS  98  -1.604   7.622  12.622
  739    HG3  LYS  98           HG3      LYS  98  -1.883   6.057  11.821
  740    HD2  LYS  98           HD2      LYS  98  -3.310   5.348  13.697
  741    HD3  LYS  98           HD3      LYS  98  -3.069   6.930  14.477
  742    HE2  LYS  98           HE2      LYS  98  -4.149   8.072  12.620
  743    HE3  LYS  98           HE3      LYS  98  -4.216   6.572  11.677
  744    HZ1  LYS  98           HZ1      LYS  98  -5.633   7.000  14.218
  745    HZ2  LYS  98           HZ2      LYS  98  -6.316   7.109  12.725
  746    HZ3  LYS  98           HZ3      LYS  98  -5.725   5.668  13.249
  747    H    HIS  99           H        HIS  99   2.604   4.498  12.328
  748    HA   HIS  99           HA       HIS  99   3.958   4.820  14.926
  749    HB2  HIS  99           HB2      HIS  99   2.184   3.042  15.174
  750    HB3  HIS  99           HB3      HIS  99   3.041   2.091  13.955
  751    HD1  HIS  99           HD1      HIS  99   4.687   0.395  15.026
  752    HD2  HIS  99           HD2      HIS  99   3.967   3.809  17.369
  753    HE1  HIS  99           HE1      HIS  99   5.987   0.073  17.199
  754    H    SER 100           H        SER 100   4.294   4.844  11.681
  755    HA   SER 100           HA       SER 100   6.522   3.086  11.283
  756    HB2  SER 100           HB2      SER 100   5.053   3.980   9.485
  757    HB3  SER 100           HB3      SER 100   5.746   5.595   9.746
  758    HG   SER 100           HG       SER 100   7.805   4.640   9.277
  759    H    GLY 101           H        GLY 101   6.350   5.711  13.283
  760    HA2  GLY 101           HA2      GLY 101   9.140   5.852  13.733
  761    HA3  GLY 101           HA3      GLY 101   8.669   7.234  12.727
  762    HA   PRO 102           HA       PRO 102   8.272   8.163  17.369
  763    HB2  PRO 102           HB2      PRO 102   9.438  10.652  16.115
  764    HB3  PRO 102           HB3      PRO 102   9.727   9.981  17.755
  765    HG2  PRO 102           HG2      PRO 102  11.540   9.563  15.795
  766    HG3  PRO 102           HG3      PRO 102  11.052   8.197  16.860
  767    HD2  PRO 102           HD2      PRO 102  10.107   8.821  14.056
  768    HD3  PRO 102           HD3      PRO 102  10.544   7.242  14.779
  769    H5'    A   1           H5'        A   1  17.444   1.487   4.295
  770   H5''    A   1          H5''        A   1  15.892   1.125   3.507
  771    H4'    A   1           H4'        A   1  17.816  -1.053   4.405
  772    H3'    A   1           H3'        A   1  18.600   0.702   2.516
  773    H2'    A   1           H2'        A   1  16.701   0.968   1.316
  774   HO2'    A   1          HO2'        A   1  17.922  -1.331   0.173
  775    H1'    A   1           H1'        A   1  15.884  -1.853   1.213
  776    H8     A   1           H8         A   1  13.434  -2.346   1.998
  777    H61    A   1           H61        A   1  10.152   2.801   0.880
  778    H62    A   1           H62        A   1  10.039   1.075   1.150
  779    H2     A   1           H2         A   1  14.444   3.895   1.052
  780   HO5'    A   1          HO5'        A   1  15.701   1.333   5.792
  781    H5'    G   2           H5'        G   2  17.782  -4.806   0.201
  782   H5''    G   2          H5''        G   2  18.177  -3.204  -0.479
  783    H4'    G   2           H4'        G   2  15.350  -3.670   0.440
  784    H3'    G   2           H3'        G   2  16.443  -4.730  -2.178
  785    H2'    G   2           H2'        G   2  14.310  -4.196  -3.057
  786   HO2'    G   2          HO2'        G   2  13.093  -5.344  -1.483
  787    H1'    G   2           H1'        G   2  13.881  -2.151  -1.005
  788    H8     G   2           H8         G   2  16.592  -1.287  -3.401
  789    H1     G   2           H1         G   2  10.763   0.338  -5.458
  790    H21    G   2           H21        G   2   9.225  -0.548  -4.160
  791    H22    G   2           H22        G   2   9.629  -1.683  -2.891
  792    H5'    G   3           H5'        G   3  12.523  -6.758  -0.623
  793   H5''    G   3          H5''        G   3  12.911  -8.481  -0.820
  794    H4'    G   3           H4'        G   3  10.627  -8.098  -1.561
  795    H3'    G   3           H3'        G   3  12.692  -9.266  -3.160
  796    H2'    G   3           H2'        G   3  12.666  -7.585  -4.758
  797   HO2'    G   3          HO2'        G   3  11.801  -9.465  -5.812
  798    H1'    G   3           H1'        G   3   9.703  -7.196  -4.218
  799    H8     G   3           H8         G   3  13.037  -5.576  -5.349
  800    H1     G   3           H1         G   3   7.689  -2.600  -7.300
  801    H21    G   3           H21        G   3   5.969  -3.309  -6.094
  802    H22    G   3           H22        G   3   6.148  -4.644  -4.969
  803    H5'    G   4           H5'        G   4   8.388 -11.171  -0.903
  804   H5''    G   4          H5''        G   4   8.588  -9.425  -1.126
  805    H4'    G   4           H4'        G   4   9.274 -10.877   1.464
  806    H3'    G   4           H3'        G   4   6.730 -10.859   0.456
  807    H2'    G   4           H2'        G   4   6.217  -8.652   0.172
  808   HO2'    G   4          HO2'        G   4   6.184  -8.915   2.997
  809    H1'    G   4           H1'        G   4   7.876  -7.334   2.115
  810    H8     G   4           H8         G   4   7.063  -8.019  -1.499
  811    H1     G   4           H1         G   4  10.467  -2.663  -0.567
  812    H21    G   4           H21        G   4  11.156  -2.565   1.554
  813    H22    G   4           H22        G   4  10.833  -3.860   2.690
  814    H5'    A   5           H5'        A   5   4.253 -12.613   2.577
  815   H5''    A   5          H5''        A   5   4.896 -14.257   2.751
  816    H4'    A   5           H4'        A   5   3.371 -14.741   1.146
  817    H3'    A   5           H3'        A   5   5.857 -14.484  -0.000
  818    H2'    A   5           H2'        A   5   5.673 -12.264  -0.623
  819   HO2'    A   5          HO2'        A   5   5.231 -12.185  -2.871
  820    H1'    A   5           H1'        A   5   2.851 -12.616  -1.584
  821    H8     A   5           H8         A   5   3.760 -10.465   1.405
  822    H61    A   5           H61        A   5   2.714  -5.610  -2.303
  823    H62    A   5           H62        A   5   2.899  -6.126  -0.637
  824    H2     A   5           H2         A   5   3.170  -9.200  -4.864
  825    H5'    U   6           H5'        U   6   2.842 -15.952  -4.449
  826   H5''    U   6          H5''        U   6   4.293 -15.038  -3.996
  827    H4'    U   6           H4'        U   6   3.603 -14.046  -5.998
  828    H3'    U   6           H3'        U   6   3.047 -12.517  -3.536
  829   HO3'    U   6          HO3'        U   6   4.274 -11.031  -4.670
  830    H2'    U   6           H2'        U   6   1.355 -11.136  -4.292
  831   HO2'    U   6          HO2'        U   6   2.575 -10.521  -6.213
  832    H1'    U   6           H1'        U   6   0.048 -12.729  -5.990
  833    H3     U   6           H3         U   6  -2.350 -15.523  -3.237
  834    H5     U   6           H5         U   6  -0.223 -12.904  -0.746
  835    H6     U   6           H6         U   6   1.059 -12.187  -2.636
  Start of MODEL   14
    1    H    MET   1           H        MET   1   3.505 -19.246  13.541
    2    HA   MET   1           HA       MET   1   6.006 -19.661  12.066
    3    HB2  MET   1           HB2      MET   1   5.320 -21.628  13.395
    4    HB3  MET   1           HB3      MET   1   3.719 -21.590  12.632
    5    HG2  MET   1           HG2      MET   1   5.188 -23.249  11.569
    6    HG3  MET   1           HG3      MET   1   4.726 -21.981  10.433
    7    HE1  MET   1           HE1      MET   1   6.590 -22.847   8.786
    8    HE2  MET   1           HE2      MET   1   8.299 -23.054   9.237
    9    HE3  MET   1           HE3      MET   1   7.053 -24.097   9.964
   10    H    MET   2           H        MET   2   5.932 -18.933  10.065
   11    HA   MET   2           HA       MET   2   5.211 -18.005   8.141
   12    HB2  MET   2           HB2      MET   2   2.991 -20.057   8.419
   13    HB3  MET   2           HB3      MET   2   3.405 -19.171   6.941
   14    HG2  MET   2           HG2      MET   2   5.675 -20.122   6.982
   15    HG3  MET   2           HG3      MET   2   5.300 -20.979   8.480
   16    HE1  MET   2           HE1      MET   2   3.024 -20.498   5.241
   17    HE2  MET   2           HE2      MET   2   4.690 -20.686   4.641
   18    HE3  MET   2           HE3      MET   2   3.481 -21.952   4.330
   19    H    LEU   3           H        LEU   3   3.114 -17.102   6.927
   20    HA   LEU   3           HA       LEU   3   1.174 -15.864   8.698
   21    HB2  LEU   3           HB2      LEU   3   1.814 -13.595   8.376
   22    HB3  LEU   3           HB3      LEU   3   3.208 -14.448   9.035
   23    HG   LEU   3           HG       LEU   3   2.814 -13.714   6.096
   24   HD11  LEU   3          HD11      LEU   3   4.579 -12.505   8.265
   25   HD12  LEU   3          HD12      LEU   3   4.544 -12.020   6.554
   26   HD13  LEU   3          HD13      LEU   3   3.114 -11.762   7.576
   27   HD21  LEU   3          HD21      LEU   3   5.193 -14.896   7.595
   28   HD22  LEU   3          HD22      LEU   3   4.297 -15.641   6.244
   29   HD23  LEU   3          HD23      LEU   3   5.280 -14.199   5.965
   30    H    GLY   4           H        GLY   4  -0.167 -14.212   7.395
   31    HA2  GLY   4           HA2      GLY   4  -0.249 -14.119   4.597
   32    HA3  GLY   4           HA3      GLY   4  -1.237 -15.509   5.088
   33    HA   PRO   5           HA       PRO   5  -3.758 -11.482   5.191
   34    HB2  PRO   5           HB2      PRO   5  -5.565 -13.436   3.783
   35    HB3  PRO   5           HB3      PRO   5  -5.374 -11.677   3.494
   36    HG2  PRO   5           HG2      PRO   5  -4.218 -13.459   1.816
   37    HG3  PRO   5           HG3      PRO   5  -3.300 -12.015   2.362
   38    HD2  PRO   5           HD2      PRO   5  -3.132 -14.850   3.408
   39    HD3  PRO   5           HD3      PRO   5  -1.806 -13.705   3.038
   40    H    GLU   6           H        GLU   6  -5.705 -11.158   6.465
   41    HA   GLU   6           HA       GLU   6  -6.758 -13.512   7.922
   42    HB2  GLU   6           HB2      GLU   6  -5.541 -11.063   9.264
   43    HB3  GLU   6           HB3      GLU   6  -6.489 -12.313  10.089
   44    HG2  GLU   6           HG2      GLU   6  -4.828 -14.025   9.354
   45    HG3  GLU   6           HG3      GLU   6  -3.833 -12.721   8.673
   46    H    GLY   7           H        GLY   7  -7.466 -10.858   6.081
   47    HA2  GLY   7           HA2      GLY   7 -10.212 -10.831   6.780
   48    HA3  GLY   7           HA3      GLY   7  -9.429  -9.475   7.596
   49    H    GLY   8           H        GLY   8 -11.228  -8.592   6.056
   50    HA2  GLY   8           HA2      GLY   8  -9.907  -7.137   3.953
   51    HA3  GLY   8           HA3      GLY   8 -11.038  -8.350   3.310
   52    H    GLU   9           H        GLU   9 -11.643  -6.923   6.442
   53    HA   GLU   9           HA       GLU   9 -14.304  -6.188   5.645
   54    HB2  GLU   9           HB2      GLU   9 -12.749  -5.769   8.230
   55    HB3  GLU   9           HB3      GLU   9 -14.492  -5.504   8.028
   56    HG2  GLU   9           HG2      GLU   9 -14.774  -7.879   7.363
   57    HG3  GLU   9           HG3      GLU   9 -13.040  -8.151   7.611
   58    H    GLY  10           H        GLY  10 -11.652  -4.553   4.801
   59    HA2  GLY  10           HA2      GLY  10 -12.861  -1.883   5.382
   60    HA3  GLY  10           HA3      GLY  10 -11.119  -2.181   5.361
   61    H    PHE  11           H        PHE  11 -12.259  -4.118   2.953
   62    HA   PHE  11           HA       PHE  11 -11.717  -4.101   0.761
   63    HB2  PHE  11           HB2      PHE  11 -13.245  -1.485   0.791
   64    HB3  PHE  11           HB3      PHE  11 -12.960  -2.516  -0.611
   65    HD1  PHE  11           HD1      PHE  11 -13.406  -5.194   0.939
   66    HD2  PHE  11           HD2      PHE  11 -15.646  -1.534   0.675
   67    HE1  PHE  11           HE1      PHE  11 -15.502  -6.449   1.351
   68    HE2  PHE  11           HE2      PHE  11 -17.739  -2.783   1.130
   69    HZ   PHE  11           HZ       PHE  11 -17.670  -5.242   1.465
   70    H    VAL  12           H        VAL  12  -9.826  -2.828   2.617
   71    HA   VAL  12           HA       VAL  12  -8.489  -0.797   0.931
   72    HB   VAL  12           HB       VAL  12  -7.724  -2.047   3.611
   73   HG11  VAL  12          HG11      VAL  12  -6.620   0.392   2.161
   74   HG12  VAL  12          HG12      VAL  12  -6.223  -0.091   3.827
   75   HG13  VAL  12          HG13      VAL  12  -5.748  -1.132   2.479
   76   HG21  VAL  12          HG21      VAL  12  -9.740  -0.757   3.900
   77   HG22  VAL  12          HG22      VAL  12  -8.387   0.223   4.493
   78   HG23  VAL  12          HG23      VAL  12  -9.100   0.573   2.903
   79    H    VAL  13           H        VAL  13  -6.353  -1.129   0.099
   80    HA   VAL  13           HA       VAL  13  -5.262  -3.886   0.339
   81    HB   VAL  13           HB       VAL  13  -4.500  -3.753  -2.029
   82   HG11  VAL  13          HG11      VAL  13  -7.518  -3.744  -1.671
   83   HG12  VAL  13          HG12      VAL  13  -6.587  -4.535  -2.969
   84   HG13  VAL  13          HG13      VAL  13  -6.433  -5.109  -1.299
   85   HG21  VAL  13          HG21      VAL  13  -6.536  -1.500  -2.245
   86   HG22  VAL  13          HG22      VAL  13  -4.771  -1.337  -2.418
   87   HG23  VAL  13          HG23      VAL  13  -5.696  -2.288  -3.598
   88    H    LYS  14           H        LYS  14  -3.017  -4.042   0.097
   89    HA   LYS  14           HA       LYS  14  -1.574  -1.574   0.828
   90    HB2  LYS  14           HB2      LYS  14  -0.342  -4.309   0.423
   91    HB3  LYS  14           HB3      LYS  14   0.192  -2.988   1.475
   92    HG2  LYS  14           HG2      LYS  14  -1.957  -3.362   2.820
   93    HG3  LYS  14           HG3      LYS  14  -2.205  -4.828   1.848
   94    HD2  LYS  14           HD2      LYS  14   0.110  -5.587   2.557
   95    HD3  LYS  14           HD3      LYS  14   0.145  -4.209   3.679
   96    HE2  LYS  14           HE2      LYS  14  -1.972  -5.098   4.735
   97    HE3  LYS  14           HE3      LYS  14  -1.889  -6.481   3.648
   98    HZ1  LYS  14           HZ1      LYS  14   0.168  -5.754   5.622
   99    HZ2  LYS  14           HZ2      LYS  14  -0.919  -6.979   5.776
  100    HZ3  LYS  14           HZ3      LYS  14   0.238  -7.043   4.605
  101    H    LEU  15           H        LEU  15   0.354  -0.927  -0.367
  102    HA   LEU  15           HA       LEU  15   0.572  -1.955  -3.148
  103    HB2  LEU  15           HB2      LEU  15  -0.766   0.294  -2.627
  104    HB3  LEU  15           HB3      LEU  15   0.848   0.965  -2.446
  105    HG   LEU  15           HG       LEU  15   0.041   1.422  -4.620
  106   HD11  LEU  15          HD11      LEU  15   1.949  -0.903  -5.018
  107   HD12  LEU  15          HD12      LEU  15   1.720   0.497  -6.075
  108   HD13  LEU  15          HD13      LEU  15   2.454   0.722  -4.475
  109   HD21  LEU  15          HD21      LEU  15  -0.405  -1.563  -4.997
  110   HD22  LEU  15          HD22      LEU  15  -1.675  -0.343  -4.754
  111   HD23  LEU  15          HD23      LEU  15  -0.672  -0.301  -6.222
  112    H    ARG  16           H        ARG  16   2.740  -2.023  -3.844
  113    HA   ARG  16           HA       ARG  16   4.857  -0.880  -2.131
  114    HB2  ARG  16           HB2      ARG  16   4.359  -3.056  -1.089
  115    HB3  ARG  16           HB3      ARG  16   4.484  -3.860  -2.660
  116    HG2  ARG  16           HG2      ARG  16   6.874  -3.213  -2.801
  117    HG3  ARG  16           HG3      ARG  16   6.760  -2.451  -1.201
  118    HD2  ARG  16           HD2      ARG  16   6.152  -5.375  -1.788
  119    HD3  ARG  16           HD3      ARG  16   7.711  -4.777  -1.190
  120    HE   ARG  16           HE       ARG  16   5.649  -3.882   0.562
  121   HH11  ARG  16          HH11      ARG  16   7.286  -6.840  -0.457
  122   HH12  ARG  16          HH12      ARG  16   7.075  -7.637   1.084
  123   HH21  ARG  16          HH21      ARG  16   5.376  -4.928   2.554
  124   HH22  ARG  16          HH22      ARG  16   5.979  -6.556   2.799
  125    H    GLY  17           H        GLY  17   6.821  -0.607  -3.276
  126    HA2  GLY  17           HA2      GLY  17   8.148  -1.534  -5.191
  127    HA3  GLY  17           HA3      GLY  17   6.689  -1.355  -6.174
  128    H    LEU  18           H        LEU  18   8.210  -0.152  -7.516
  129    HA   LEU  18           HA       LEU  18   9.012   1.721  -8.458
  130    HB2  LEU  18           HB2      LEU  18   7.186   3.152  -6.483
  131    HB3  LEU  18           HB3      LEU  18   7.948   3.884  -7.892
  132    HG   LEU  18           HG       LEU  18   5.851   1.686  -7.875
  133   HD11  LEU  18          HD11      LEU  18   4.591   3.341  -9.199
  134   HD12  LEU  18          HD12      LEU  18   5.074   4.022  -7.628
  135   HD13  LEU  18          HD13      LEU  18   5.960   4.473  -9.101
  136   HD21  LEU  18          HD21      LEU  18   7.644   2.697 -10.108
  137   HD22  LEU  18          HD22      LEU  18   7.352   1.010  -9.587
  138   HD23  LEU  18          HD23      LEU  18   6.081   1.926 -10.422
  139    HA   PRO  19           HA       PRO  19  12.541   3.100  -6.269
  140    HB2  PRO  19           HB2      PRO  19  13.252   5.371  -7.613
  141    HB3  PRO  19           HB3      PRO  19  13.347   3.731  -8.333
  142    HG2  PRO  19           HG2      PRO  19  11.098   5.748  -8.619
  143    HG3  PRO  19           HG3      PRO  19  11.957   4.855  -9.923
  144    HD2  PRO  19           HD2      PRO  19   9.593   3.973  -8.942
  145    HD3  PRO  19           HD3      PRO  19  10.896   2.818  -9.339
  146    H    TRP  20           H        TRP  20  10.881   3.408  -4.473
  147    HA   TRP  20           HA       TRP  20  10.082   4.525  -2.723
  148    HB2  TRP  20           HB2      TRP  20  12.130   6.571  -2.501
  149    HB3  TRP  20           HB3      TRP  20  11.828   5.160  -1.493
  150    HD1  TRP  20           HD1      TRP  20  13.925   6.433  -4.366
  151    HE1  TRP  20           HE1      TRP  20  15.806   4.813  -4.934
  152    HE3  TRP  20           HE3      TRP  20  12.695   2.611  -1.165
  153    HZ2  TRP  20           HZ2      TRP  20  16.570   2.112  -4.242
  154    HZ3  TRP  20           HZ3      TRP  20  14.159   0.582  -1.085
  155    HH2  TRP  20           HH2      TRP  20  15.957   0.293  -2.653
  156    H    SER  21           H        SER  21   9.160   5.657  -5.369
  157    HA   SER  21           HA       SER  21   7.992   8.108  -4.228
  158    HB2  SER  21           HB2      SER  21  10.074   8.874  -5.343
  159    HB3  SER  21           HB3      SER  21   9.544   8.098  -6.851
  160    HG   SER  21           HG       SER  21   9.012  10.333  -6.765
  161    H    CYS  22           H        CYS  22   6.033   8.666  -5.163
  162    HA   CYS  22           HA       CYS  22   4.959   7.420  -7.538
  163    HB2  CYS  22           HB2      CYS  22   4.931   5.545  -5.809
  164    HB3  CYS  22           HB3      CYS  22   3.819   6.538  -4.850
  165    HG   CYS  22           HG       CYS  22   2.506   4.656  -6.102
  166    H    SER  23           H        SER  23   2.407   7.908  -7.469
  167    HA   SER  23           HA       SER  23   1.735  10.217  -5.761
  168    HB2  SER  23           HB2      SER  23   0.988  11.570  -7.642
  169    HB3  SER  23           HB3      SER  23   2.708  11.191  -7.841
  170    HG   SER  23           HG       SER  23   1.540  10.852  -9.768
  171    H    VAL  24           H        VAL  24  -0.628  10.753  -5.972
  172    HA   VAL  24           HA       VAL  24  -2.057   8.293  -5.692
  173    HB   VAL  24           HB       VAL  24  -3.581   9.497  -4.629
  174   HG11  VAL  24          HG11      VAL  24  -1.750  11.873  -5.143
  175   HG12  VAL  24          HG12      VAL  24  -2.933  11.705  -3.833
  176   HG13  VAL  24          HG13      VAL  24  -1.512  10.640  -3.874
  177   HG21  VAL  24          HG21      VAL  24  -3.609  11.520  -6.874
  178   HG22  VAL  24          HG22      VAL  24  -4.776  10.198  -6.566
  179   HG23  VAL  24          HG23      VAL  24  -4.654  11.548  -5.429
  180    H    GLU  25           H        GLU  25  -1.398  10.299  -8.445
  181    HA   GLU  25           HA       GLU  25  -3.778   9.451  -9.931
  182    HB2  GLU  25           HB2      GLU  25  -1.263  10.952 -10.767
  183    HB3  GLU  25           HB3      GLU  25  -2.707  10.688 -11.770
  184    HG2  GLU  25           HG2      GLU  25  -4.079  11.887 -10.061
  185    HG3  GLU  25           HG3      GLU  25  -2.608  12.207  -9.129
  186    H    ASP  26           H        ASP  26  -0.395   8.414  -9.538
  187    HA   ASP  26           HA       ASP  26  -0.484   6.735 -11.934
  188    HB2  ASP  26           HB2      ASP  26   1.440   6.921  -9.582
  189    HB3  ASP  26           HB3      ASP  26   1.653   5.828 -10.958
  190    H    VAL  27           H        VAL  27  -1.068   6.359  -8.424
  191    HA   VAL  27           HA       VAL  27  -1.140   3.475  -8.589
  192    HB   VAL  27           HB       VAL  27  -0.583   4.740  -6.543
  193   HG11  VAL  27          HG11      VAL  27  -3.549   5.404  -6.412
  194   HG12  VAL  27          HG12      VAL  27  -2.306   5.793  -5.202
  195   HG13  VAL  27          HG13      VAL  27  -2.244   6.551  -6.806
  196   HG21  VAL  27          HG21      VAL  27  -1.372   2.400  -6.419
  197   HG22  VAL  27          HG22      VAL  27  -1.842   3.348  -4.989
  198   HG23  VAL  27          HG23      VAL  27  -3.048   2.981  -6.247
  199    H    GLN  28           H        GLN  28  -3.664   6.075  -8.771
  200    HA   GLN  28           HA       GLN  28  -5.788   4.124  -8.890
  201    HB2  GLN  28           HB2      GLN  28  -7.199   5.980  -9.566
  202    HB3  GLN  28           HB3      GLN  28  -6.176   6.437  -8.195
  203    HG2  GLN  28           HG2      GLN  28  -4.618   7.550  -9.791
  204    HG3  GLN  28           HG3      GLN  28  -5.730   7.185 -11.117
  205   HE21  GLN  28          HE21      GLN  28  -5.413   8.917  -8.008
  206   HE22  GLN  28          HE22      GLN  28  -6.660  10.106  -8.329
  207    H    ASN  29           H        ASN  29  -3.535   5.487 -11.245
  208    HA   ASN  29           HA       ASN  29  -4.952   4.639 -13.606
  209    HB2  ASN  29           HB2      ASN  29  -3.335   6.059 -14.308
  210    HB3  ASN  29           HB3      ASN  29  -2.377   5.813 -12.845
  211   HD21  ASN  29          HD21      ASN  29  -0.858   4.114 -12.700
  212   HD22  ASN  29          HD22      ASN  29  -0.202   3.371 -14.139
  213    H    PHE  30           H        PHE  30  -2.902   2.990 -11.242
  214    HA   PHE  30           HA       PHE  30  -2.368   0.741 -13.042
  215    HB2  PHE  30           HB2      PHE  30  -0.649   1.508 -11.621
  216    HB3  PHE  30           HB3      PHE  30  -1.654   1.385 -10.180
  217    HD1  PHE  30           HD1      PHE  30  -0.214  -0.721 -12.949
  218    HD2  PHE  30           HD2      PHE  30  -1.546  -0.524  -8.869
  219    HE1  PHE  30           HE1      PHE  30   0.578  -3.040 -12.582
  220    HE2  PHE  30           HE2      PHE  30  -0.782  -2.857  -8.507
  221    HZ   PHE  30           HZ       PHE  30   0.295  -4.113 -10.360
  222    H    LEU  31           H        LEU  31  -4.734   1.654 -10.674
  223    HA   LEU  31           HA       LEU  31  -5.742  -1.140 -10.442
  224    HB2  LEU  31           HB2      LEU  31  -6.061   1.376  -8.814
  225    HB3  LEU  31           HB3      LEU  31  -7.289   0.112  -8.724
  226    HG   LEU  31           HG       LEU  31  -5.758  -1.514  -7.904
  227   HD11  LEU  31          HD11      LEU  31  -3.586   0.562  -8.325
  228   HD12  LEU  31          HD12      LEU  31  -3.386  -0.942  -7.401
  229   HD13  LEU  31          HD13      LEU  31  -3.748  -1.016  -9.142
  230   HD21  LEU  31          HD21      LEU  31  -5.288   1.155  -6.517
  231   HD22  LEU  31          HD22      LEU  31  -6.709   0.108  -6.290
  232   HD23  LEU  31          HD23      LEU  31  -5.102  -0.454  -5.781
  233    H    SER  32           H        SER  32  -6.170  -0.621 -12.884
  234    HA   SER  32           HA       SER  32  -8.226   1.054 -13.731
  235    HB2  SER  32           HB2      SER  32  -7.537  -1.749 -14.699
  236    HB3  SER  32           HB3      SER  32  -8.437  -0.516 -15.606
  237    HG   SER  32           HG       SER  32  -6.208  -0.558 -16.149
  238    H    ASP  33           H        ASP  33 -10.383   0.820 -14.039
  239    HA   ASP  33           HA       ASP  33 -12.514   0.413 -13.513
  240    HB2  ASP  33           HB2      ASP  33 -11.601  -2.469 -13.290
  241    HB3  ASP  33           HB3      ASP  33 -13.273  -1.917 -13.459
  242    H    CYS  34           H        CYS  34 -10.200   0.052 -11.065
  243    HA   CYS  34           HA       CYS  34 -12.074  -0.722  -8.959
  244    HB2  CYS  34           HB2      CYS  34  -9.275   0.472  -8.898
  245    HB3  CYS  34           HB3      CYS  34 -10.142  -0.146  -7.488
  246    HG   CYS  34           HG       CYS  34 -10.473  -2.568  -8.368
  247    H    THR  35           H        THR  35 -11.878   0.882  -6.951
  248    HA   THR  35           HA       THR  35 -12.186   3.721  -7.740
  249    HB   THR  35           HB       THR  35 -14.147   2.061  -6.090
  250    HG1  THR  35           HG1      THR  35 -14.422   3.495  -8.526
  251   HG21  THR  35          HG21      THR  35 -15.437   4.190  -5.934
  252   HG22  THR  35          HG22      THR  35 -13.887   4.256  -5.077
  253   HG23  THR  35          HG23      THR  35 -14.056   5.051  -6.662
  254    H    ILE  36           H        ILE  36 -11.374   5.092  -6.154
  255    HA   ILE  36           HA       ILE  36  -9.816   3.694  -4.061
  256    HB   ILE  36           HB       ILE  36  -9.366   6.409  -5.361
  257   HG12  ILE  36          HG12      ILE  36  -7.199   4.975  -6.000
  258   HG13  ILE  36          HG13      ILE  36  -8.318   3.617  -5.827
  259   HG21  ILE  36          HG21      ILE  36  -7.813   4.845  -3.267
  260   HG22  ILE  36          HG22      ILE  36  -7.083   6.130  -4.263
  261   HG23  ILE  36          HG23      ILE  36  -8.399   6.522  -3.161
  262   HD11  ILE  36          HD11      ILE  36  -9.808   4.679  -7.530
  263   HD12  ILE  36          HD12      ILE  36  -8.682   6.055  -7.624
  264   HD13  ILE  36          HD13      ILE  36  -8.168   4.439  -8.156
  265    H    HIS  37           H        HIS  37 -12.439   3.898  -3.553
  266    HA   HIS  37           HA       HIS  37 -13.936   4.417  -1.963
  267    HB2  HIS  37           HB2      HIS  37 -11.919   3.920  -0.593
  268    HB3  HIS  37           HB3      HIS  37 -11.633   5.656  -0.472
  269    HD1  HIS  37           HD1      HIS  37 -13.774   2.893   0.974
  270    HD2  HIS  37           HD2      HIS  37 -13.544   7.085   0.935
  271    HE1  HIS  37           HE1      HIS  37 -15.267   3.719   2.877
  272    H    ASP  38           H        ASP  38 -11.983   7.124  -3.042
  273    HA   ASP  38           HA       ASP  38 -14.373   8.778  -3.387
  274    HB2  ASP  38           HB2      ASP  38 -12.099   9.533  -1.501
  275    HB3  ASP  38           HB3      ASP  38 -13.110  10.734  -2.310
  276    H    GLY  39           H        GLY  39 -10.980   7.996  -3.907
  277    HA2  GLY  39           HA2      GLY  39  -9.584   8.488  -5.664
  278    HA3  GLY  39           HA3      GLY  39 -10.856   9.448  -6.431
  279    H    ALA  40           H        ALA  40  -7.862   9.759  -5.416
  280    HA   ALA  40           HA       ALA  40  -6.529  11.267  -4.453
  281    HB1  ALA  40           HB1      ALA  40  -8.657  13.205  -5.403
  282    HB2  ALA  40           HB2      ALA  40  -6.963  13.607  -5.040
  283    HB3  ALA  40           HB3      ALA  40  -7.347  12.527  -6.404
  284    H    ALA  41           H        ALA  41  -9.060  10.311  -2.880
  285    HA   ALA  41           HA       ALA  41  -8.503  11.941  -0.490
  286    HB1  ALA  41           HB1      ALA  41 -10.961  12.094  -0.028
  287    HB2  ALA  41           HB2      ALA  41 -10.443  13.017  -1.458
  288    HB3  ALA  41           HB3      ALA  41 -11.256  11.455  -1.661
  289    H    GLY  42           H        GLY  42  -8.122   9.095  -1.691
  290    HA2  GLY  42           HA2      GLY  42  -8.722   7.719   0.869
  291    HA3  GLY  42           HA3      GLY  42  -9.244   6.974  -0.658
  292    H    VAL  43           H        VAL  43  -6.403   8.750  -1.196
  293    HA   VAL  43           HA       VAL  43  -4.809   6.327  -1.436
  294    HB   VAL  43           HB       VAL  43  -4.799   8.476  -2.954
  295   HG11  VAL  43          HG11      VAL  43  -2.835   9.352  -0.794
  296   HG12  VAL  43          HG12      VAL  43  -3.195  10.178  -2.318
  297   HG13  VAL  43          HG13      VAL  43  -4.444  10.068  -1.068
  298   HG21  VAL  43          HG21      VAL  43  -2.208   7.202  -1.983
  299   HG22  VAL  43          HG22      VAL  43  -3.303   6.554  -3.228
  300   HG23  VAL  43          HG23      VAL  43  -2.437   8.076  -3.508
  301    H    HIS  44           H        HIS  44  -2.697   6.038  -0.372
  302    HA   HIS  44           HA       HIS  44  -2.018   7.746   1.918
  303    HB2  HIS  44           HB2      HIS  44  -2.875   4.850   2.167
  304    HB3  HIS  44           HB3      HIS  44  -1.756   5.592   3.313
  305    HD1  HIS  44           HD1      HIS  44  -2.826   7.884   4.605
  306    HD2  HIS  44           HD2      HIS  44  -5.408   5.156   2.727
  307    HE1  HIS  44           HE1      HIS  44  -5.145   8.299   5.575
  308    H    PHE  45           H        PHE  45   0.131   7.158   2.786
  309    HA   PHE  45           HA       PHE  45   1.809   5.358   1.173
  310    HB2  PHE  45           HB2      PHE  45   2.309   8.347   1.442
  311    HB3  PHE  45           HB3      PHE  45   3.463   7.174   0.805
  312    HD1  PHE  45           HD1      PHE  45   2.968   5.957  -1.335
  313    HD2  PHE  45           HD2      PHE  45   0.542   9.218   0.064
  314    HE1  PHE  45           HE1      PHE  45   1.944   6.161  -3.585
  315    HE2  PHE  45           HE2      PHE  45  -0.468   9.432  -2.189
  316    HZ   PHE  45           HZ       PHE  45   0.210   7.883  -4.010
  317    H    ILE  46           H        ILE  46   4.148   5.406   2.212
  318    HA   ILE  46           HA       ILE  46   3.862   5.789   5.158
  319    HB   ILE  46           HB       ILE  46   5.017   3.323   3.853
  320   HG12  ILE  46          HG12      ILE  46   2.306   3.700   5.209
  321   HG13  ILE  46          HG13      ILE  46   2.564   3.513   3.462
  322   HG21  ILE  46          HG21      ILE  46   4.252   3.961   6.745
  323   HG22  ILE  46          HG22      ILE  46   4.984   2.455   6.159
  324   HG23  ILE  46          HG23      ILE  46   5.914   3.962   6.106
  325   HD11  ILE  46          HD11      ILE  46   3.712   1.334   3.923
  326   HD12  ILE  46          HD12      ILE  46   3.145   1.467   5.606
  327   HD13  ILE  46          HD13      ILE  46   1.974   1.370   4.264
  328    H    TYR  47           H        TYR  47   5.454   7.086   5.840
  329    HA   TYR  47           HA       TYR  47   8.229   6.716   5.021
  330    HB2  TYR  47           HB2      TYR  47   8.510   8.957   4.123
  331    HB3  TYR  47           HB3      TYR  47   7.397   7.992   3.158
  332    HD1  TYR  47           HD1      TYR  47   4.970   8.476   3.148
  333    HD2  TYR  47           HD2      TYR  47   7.761  10.936   5.306
  334    HE1  TYR  47           HE1      TYR  47   3.252  10.258   3.328
  335    HE2  TYR  47           HE2      TYR  47   6.046  12.721   5.499
  336    HH   TYR  47           HH       TYR  47   2.756  12.357   4.112
  337    H    THR  48           H        THR  48   9.467   8.839   5.973
  338    HA   THR  48           HA       THR  48   8.189   9.699   8.511
  339    HB   THR  48           HB       THR  48  10.386   9.379   9.666
  340    HG1  THR  48           HG1      THR  48  11.833   7.924   8.668
  341   HG21  THR  48          HG21      THR  48   8.517   7.777   9.925
  342   HG22  THR  48          HG22      THR  48   9.153   6.827   8.558
  343   HG23  THR  48          HG23      THR  48  10.103   6.988  10.056
  344    H    ARG  49           H        ARG  49   9.405  11.460   9.543
  345    HA   ARG  49           HA       ARG  49   9.748  13.583   7.631
  346    HB2  ARG  49           HB2      ARG  49   9.802  14.983   9.610
  347    HB3  ARG  49           HB3      ARG  49   8.560  13.733   9.782
  348    HG2  ARG  49           HG2      ARG  49   9.495  13.567  11.858
  349    HG3  ARG  49           HG3      ARG  49  10.508  12.395  11.005
  350    HD2  ARG  49           HD2      ARG  49  11.951  13.778  12.322
  351    HD3  ARG  49           HD3      ARG  49  12.192  14.274  10.645
  352    HE   ARG  49           HE       ARG  49  10.619  15.749  12.718
  353   HH11  ARG  49          HH11      ARG  49  12.327  15.765   9.607
  354   HH12  ARG  49          HH12      ARG  49  12.279  17.507   9.477
  355   HH21  ARG  49          HH21      ARG  49  10.565  17.999  12.495
  356   HH22  ARG  49          HH22      ARG  49  11.266  18.760  11.088
  357    H    GLU  50           H        GLU  50  11.967  11.255   8.412
  358    HA   GLU  50           HA       GLU  50  14.211  13.076   7.884
  359    HB2  GLU  50           HB2      GLU  50  13.767  12.799  10.426
  360    HB3  GLU  50           HB3      GLU  50  14.358  11.141  10.210
  361    HG2  GLU  50           HG2      GLU  50  16.235  12.514  10.850
  362    HG3  GLU  50           HG3      GLU  50  16.420  12.130   9.128
  363    H    GLY  51           H        GLY  51  12.830  11.026   6.300
  364    HA2  GLY  51           HA2      GLY  51  15.144   9.339   5.659
  365    HA3  GLY  51           HA3      GLY  51  13.691   8.496   6.212
  366    H    ARG  52           H        ARG  52  12.862   7.593   4.502
  367    HA   ARG  52           HA       ARG  52  12.109   9.136   2.085
  368    HB2  ARG  52           HB2      ARG  52  13.861   6.631   2.105
  369    HB3  ARG  52           HB3      ARG  52  13.101   7.301   0.657
  370    HG2  ARG  52           HG2      ARG  52  14.342   9.427   0.982
  371    HG3  ARG  52           HG3      ARG  52  15.141   8.734   2.411
  372    HD2  ARG  52           HD2      ARG  52  15.294   7.607  -0.413
  373    HD3  ARG  52           HD3      ARG  52  16.553   8.572   0.372
  374    HE   ARG  52           HE       ARG  52  15.849   5.765   0.921
  375   HH11  ARG  52          HH11      ARG  52  17.647   8.620   1.984
  376   HH12  ARG  52          HH12      ARG  52  18.733   7.700   2.998
  377   HH21  ARG  52          HH21      ARG  52  17.268   4.597   2.245
  378   HH22  ARG  52          HH22      ARG  52  18.522   5.424   3.139
  379    H    GLN  53           H        GLN  53  10.749   7.548   0.623
  380    HA   GLN  53           HA       GLN  53   8.648   6.419   2.167
  381    HB2  GLN  53           HB2      GLN  53   9.526   5.743  -0.672
  382    HB3  GLN  53           HB3      GLN  53   7.961   5.334   0.047
  383    HG2  GLN  53           HG2      GLN  53   9.036   8.143  -0.438
  384    HG3  GLN  53           HG3      GLN  53   7.772   7.336  -1.374
  385   HE21  GLN  53          HE21      GLN  53   8.090   9.744   0.726
  386   HE22  GLN  53          HE22      GLN  53   6.672   9.530   1.735
  387    H    SER  54           H        SER  54   8.326   4.381   3.048
  388    HA   SER  54           HA       SER  54  10.640   2.730   3.469
  389    HB2  SER  54           HB2      SER  54   9.060   1.232   4.607
  390    HB3  SER  54           HB3      SER  54   8.776   2.921   5.084
  391    HG   SER  54           HG       SER  54   6.841   1.787   4.545
  392    H    GLY  55           H        GLY  55   8.515   3.023   0.836
  393    HA2  GLY  55           HA2      GLY  55   8.936   1.850  -1.207
  394    HA3  GLY  55           HA3      GLY  55   9.369   0.397  -0.272
  395    H    GLU  56           H        GLU  56   6.729   1.991   1.178
  396    HA   GLU  56           HA       GLU  56   4.786   0.222  -0.210
  397    HB2  GLU  56           HB2      GLU  56   5.238   0.363   2.792
  398    HB3  GLU  56           HB3      GLU  56   3.980  -0.576   1.957
  399    HG2  GLU  56           HG2      GLU  56   5.813  -1.792   0.733
  400    HG3  GLU  56           HG3      GLU  56   6.995  -0.947   1.743
  401    H    ALA  57           H        ALA  57   2.577   0.578   0.477
  402    HA   ALA  57           HA       ALA  57   1.734   3.139   1.553
  403    HB1  ALA  57           HB1      ALA  57   0.767   3.877  -0.665
  404    HB2  ALA  57           HB2      ALA  57   2.543   3.894  -0.625
  405    HB3  ALA  57           HB3      ALA  57   1.686   2.580  -1.447
  406    H    PHE  58           H        PHE  58  -0.768   3.352   0.778
  407    HA   PHE  58           HA       PHE  58  -2.006   0.665   0.497
  408    HB2  PHE  58           HB2      PHE  58  -2.819   2.745   2.553
  409    HB3  PHE  58           HB3      PHE  58  -3.697   1.268   2.191
  410    HD1  PHE  58           HD1      PHE  58  -2.805  -0.946   2.887
  411    HD2  PHE  58           HD2      PHE  58  -0.843   2.735   3.916
  412    HE1  PHE  58           HE1      PHE  58  -1.582  -2.105   4.714
  413    HE2  PHE  58           HE2      PHE  58   0.335   1.605   5.756
  414    HZ   PHE  58           HZ       PHE  58  -0.026  -0.835   6.167
  415    H    VAL  59           H        VAL  59  -4.323   0.834  -0.016
  416    HA   VAL  59           HA       VAL  59  -5.240   3.423  -1.119
  417    HB   VAL  59           HB       VAL  59  -5.280   0.829  -2.723
  418   HG11  VAL  59          HG11      VAL  59  -7.150   2.413  -3.149
  419   HG12  VAL  59          HG12      VAL  59  -5.962   3.700  -3.466
  420   HG13  VAL  59          HG13      VAL  59  -6.056   2.291  -4.543
  421   HG21  VAL  59          HG21      VAL  59  -3.683   1.931  -4.245
  422   HG22  VAL  59          HG22      VAL  59  -3.538   3.297  -3.114
  423   HG23  VAL  59          HG23      VAL  59  -2.967   1.676  -2.646
  424    H    GLU  60           H        GLU  60  -7.103   3.684   0.067
  425    HA   GLU  60           HA       GLU  60  -8.726   1.434   0.925
  426    HB2  GLU  60           HB2      GLU  60  -9.384   4.403   0.669
  427    HB3  GLU  60           HB3      GLU  60 -10.352   3.198   1.538
  428    HG2  GLU  60           HG2      GLU  60  -8.438   2.782   3.071
  429    HG3  GLU  60           HG3      GLU  60  -7.502   4.032   2.223
  430    H    LEU  61           H        LEU  61 -10.735   0.694  -0.039
  431    HA   LEU  61           HA       LEU  61 -11.318   1.952  -2.684
  432    HB2  LEU  61           HB2      LEU  61 -11.714  -0.975  -2.146
  433    HB3  LEU  61           HB3      LEU  61 -11.747  -0.140  -3.686
  434    HG   LEU  61           HG       LEU  61  -9.193  -0.298  -2.029
  435   HD11  LEU  61          HD11      LEU  61 -10.058  -2.104  -4.303
  436   HD12  LEU  61          HD12      LEU  61  -8.523  -2.169  -3.418
  437   HD13  LEU  61          HD13      LEU  61 -10.044  -2.575  -2.588
  438   HD21  LEU  61          HD21      LEU  61  -9.724   0.145  -5.001
  439   HD22  LEU  61          HD22      LEU  61  -9.298   1.427  -3.839
  440   HD23  LEU  61          HD23      LEU  61  -8.131   0.135  -4.206
  441    H    GLY  62           H        GLY  62 -13.597   0.669  -3.389
  442    HA2  GLY  62           HA2      GLY  62 -15.431   1.816  -1.338
  443    HA3  GLY  62           HA3      GLY  62 -15.683   1.748  -3.090
  444    H    SER  63           H        SER  63 -14.719  -1.182  -3.120
  445    HA   SER  63           HA       SER  63 -16.927  -2.500  -1.652
  446    HB2  SER  63           HB2      SER  63 -16.615  -2.653  -4.683
  447    HB3  SER  63           HB3      SER  63 -17.751  -3.594  -3.698
  448    HG   SER  63           HG       SER  63 -17.694  -0.770  -3.990
  449    H    GLU  64           H        GLU  64 -16.793  -4.874  -1.804
  450    HA   GLU  64           HA       GLU  64 -14.186  -5.955  -1.497
  451    HB2  GLU  64           HB2      GLU  64 -16.264  -7.025  -0.661
  452    HB3  GLU  64           HB3      GLU  64 -16.825  -7.239  -2.329
  453    HG2  GLU  64           HG2      GLU  64 -14.969  -8.743  -2.817
  454    HG3  GLU  64           HG3      GLU  64 -14.284  -8.473  -1.201
  455    H    ASP  65           H        ASP  65 -16.269  -5.481  -4.360
  456    HA   ASP  65           HA       ASP  65 -14.803  -7.240  -6.064
  457    HB2  ASP  65           HB2      ASP  65 -16.639  -4.879  -6.553
  458    HB3  ASP  65           HB3      ASP  65 -15.966  -5.877  -7.846
  459    H    ASP  66           H        ASP  66 -14.214  -3.924  -4.973
  460    HA   ASP  66           HA       ASP  66 -12.294  -3.316  -7.079
  461    HB2  ASP  66           HB2      ASP  66 -12.805  -2.095  -4.338
  462    HB3  ASP  66           HB3      ASP  66 -11.746  -1.419  -5.577
  463    H    VAL  67           H        VAL  67 -12.136  -4.572  -3.685
  464    HA   VAL  67           HA       VAL  67  -9.244  -4.567  -3.689
  465    HB   VAL  67           HB       VAL  67 -10.162  -4.511  -1.561
  466   HG11  VAL  67          HG11      VAL  67 -12.432  -5.196  -2.050
  467   HG12  VAL  67          HG12      VAL  67 -11.897  -6.907  -2.135
  468   HG13  VAL  67          HG13      VAL  67 -11.788  -5.999  -0.612
  469   HG21  VAL  67          HG21      VAL  67  -9.420  -6.507  -0.424
  470   HG22  VAL  67          HG22      VAL  67  -9.554  -7.463  -1.912
  471   HG23  VAL  67          HG23      VAL  67  -8.309  -6.199  -1.778
  472    H    LYS  68           H        LYS  68 -11.748  -7.013  -4.492
  473    HA   LYS  68           HA       LYS  68 -10.020  -9.171  -5.031
  474    HB2  LYS  68           HB2      LYS  68 -12.637  -8.210  -6.241
  475    HB3  LYS  68           HB3      LYS  68 -11.877  -9.744  -6.709
  476    HG2  LYS  68           HG2      LYS  68 -12.083 -10.654  -4.526
  477    HG3  LYS  68           HG3      LYS  68 -12.405  -9.078  -3.796
  478    HD2  LYS  68           HD2      LYS  68 -14.458 -10.474  -3.979
  479    HD3  LYS  68           HD3      LYS  68 -14.578  -8.941  -4.868
  480    HE2  LYS  68           HE2      LYS  68 -13.978 -10.148  -6.957
  481    HE3  LYS  68           HE3      LYS  68 -14.026 -11.674  -6.043
  482    HZ1  LYS  68           HZ1      LYS  68 -16.331 -11.184  -5.525
  483    HZ2  LYS  68           HZ2      LYS  68 -16.267  -9.789  -6.400
  484    HZ3  LYS  68           HZ3      LYS  68 -16.104 -11.241  -7.153
  485    H    MET  69           H        MET  69 -11.126  -6.517  -7.235
  486    HA   MET  69           HA       MET  69  -9.603  -7.420  -9.473
  487    HB2  MET  69           HB2      MET  69 -10.881  -4.786  -8.683
  488    HB3  MET  69           HB3      MET  69  -9.930  -4.944 -10.166
  489    HG2  MET  69           HG2      MET  69 -11.362  -6.933 -10.781
  490    HG3  MET  69           HG3      MET  69 -12.413  -6.522  -9.429
  491    HE1  MET  69           HE1      MET  69 -12.169  -3.202  -9.678
  492    HE2  MET  69           HE2      MET  69 -13.695  -2.932 -10.545
  493    HE3  MET  69           HE3      MET  69 -13.627  -4.119  -9.224
  494    H    ALA  70           H        ALA  70  -8.711  -5.450  -6.653
  495    HA   ALA  70           HA       ALA  70  -6.317  -4.388  -7.879
  496    HB1  ALA  70           HB1      ALA  70  -5.792  -3.708  -5.548
  497    HB2  ALA  70           HB2      ALA  70  -7.449  -3.261  -6.021
  498    HB3  ALA  70           HB3      ALA  70  -7.175  -4.673  -4.979
  499    H    LEU  71           H        LEU  71  -7.115  -7.364  -6.123
  500    HA   LEU  71           HA       LEU  71  -4.334  -8.081  -5.665
  501    HB2  LEU  71           HB2      LEU  71  -6.956  -9.606  -5.462
  502    HB3  LEU  71           HB3      LEU  71  -5.383 -10.232  -4.918
  503    HG   LEU  71           HG       LEU  71  -6.586  -7.620  -3.911
  504   HD11  LEU  71          HD11      LEU  71  -7.165  -8.856  -1.869
  505   HD12  LEU  71          HD12      LEU  71  -8.022  -9.505  -3.290
  506   HD13  LEU  71          HD13      LEU  71  -6.608 -10.371  -2.629
  507   HD21  LEU  71          HD21      LEU  71  -4.942  -7.882  -2.122
  508   HD22  LEU  71          HD22      LEU  71  -4.287  -9.334  -2.929
  509   HD23  LEU  71          HD23      LEU  71  -4.173  -7.736  -3.713
  510    H    LYS  72           H        LYS  72  -6.468  -8.242  -8.369
  511    HA   LYS  72           HA       LYS  72  -5.409 -10.624  -9.595
  512    HB2  LYS  72           HB2      LYS  72  -6.677  -8.186 -10.881
  513    HB3  LYS  72           HB3      LYS  72  -6.415  -9.754 -11.661
  514    HG2  LYS  72           HG2      LYS  72  -8.211  -9.213  -9.278
  515    HG3  LYS  72           HG3      LYS  72  -8.744  -9.551 -10.928
  516    HD2  LYS  72           HD2      LYS  72  -7.827 -11.815 -10.811
  517    HD3  LYS  72           HD3      LYS  72  -7.153 -11.496  -9.192
  518    HE2  LYS  72           HE2      LYS  72  -9.376 -11.100  -8.289
  519    HE3  LYS  72           HE3      LYS  72 -10.103 -11.353  -9.891
  520    HZ1  LYS  72           HZ1      LYS  72 -10.233 -13.326  -8.538
  521    HZ2  LYS  72           HZ2      LYS  72  -9.265 -13.603  -9.838
  522    HZ3  LYS  72           HZ3      LYS  72  -8.599 -13.366  -8.354
  523    H    LYS  73           H        LYS  73  -3.858  -7.592  -9.095
  524    HA   LYS  73           HA       LYS  73  -1.929  -8.316 -11.215
  525    HB2  LYS  73           HB2      LYS  73  -1.626  -6.045 -11.873
  526    HB3  LYS  73           HB3      LYS  73  -3.322  -6.479 -12.065
  527    HG2  LYS  73           HG2      LYS  73  -2.349  -5.115  -9.537
  528    HG3  LYS  73           HG3      LYS  73  -2.597  -4.206 -11.030
  529    HD2  LYS  73           HD2      LYS  73  -4.933  -5.031 -11.149
  530    HD3  LYS  73           HD3      LYS  73  -4.715  -5.808  -9.556
  531    HE2  LYS  73           HE2      LYS  73  -4.308  -2.880 -10.250
  532    HE3  LYS  73           HE3      LYS  73  -5.715  -3.544  -9.390
  533    HZ1  LYS  73           HZ1      LYS  73  -4.157  -2.653  -7.828
  534    HZ2  LYS  73           HZ2      LYS  73  -4.138  -4.296  -7.674
  535    HZ3  LYS  73           HZ3      LYS  73  -2.917  -3.529  -8.466
  536    H    ASP  74           H        ASP  74  -1.896  -9.013  -8.507
  537    HA   ASP  74           HA       ASP  74  -0.622  -7.371  -6.711
  538    HB2  ASP  74           HB2      ASP  74  -0.143  -9.363  -5.476
  539    HB3  ASP  74           HB3      ASP  74  -1.700  -9.569  -6.292
  540    H    ARG  75           H        ARG  75   1.001  -8.378  -9.573
  541    HA   ARG  75           HA       ARG  75   3.425  -7.212  -8.472
  542    HB2  ARG  75           HB2      ARG  75   4.905  -9.092  -9.093
  543    HB3  ARG  75           HB3      ARG  75   3.877  -9.360  -7.695
  544    HG2  ARG  75           HG2      ARG  75   2.287 -10.654  -9.161
  545    HG3  ARG  75           HG3      ARG  75   3.437 -10.445 -10.512
  546    HD2  ARG  75           HD2      ARG  75   5.207 -11.464  -9.063
  547    HD3  ARG  75           HD3      ARG  75   3.983 -11.752  -7.818
  548    HE   ARG  75           HE       ARG  75   4.442 -13.280 -10.255
  549   HH11  ARG  75          HH11      ARG  75   1.947 -12.396  -7.882
  550   HH12  ARG  75          HH12      ARG  75   1.011 -13.835  -8.186
  551   HH21  ARG  75          HH21      ARG  75   3.173 -15.126 -10.622
  552   HH22  ARG  75          HH22      ARG  75   1.686 -15.364  -9.735
  553    H    GLU  76           H        GLU  76   1.407  -6.781 -10.710
  554    HA   GLU  76           HA       GLU  76   2.881  -7.190 -13.167
  555    HB2  GLU  76           HB2      GLU  76   0.557  -5.323 -12.610
  556    HB3  GLU  76           HB3      GLU  76   1.152  -5.849 -14.198
  557    HG2  GLU  76           HG2      GLU  76  -0.137  -7.513 -12.051
  558    HG3  GLU  76           HG3      GLU  76  -0.750  -7.183 -13.676
  559    H    SER  77           H        SER  77   2.405  -4.667 -14.363
  560    HA   SER  77           HA       SER  77   4.261  -2.789 -13.011
  561    HB2  SER  77           HB2      SER  77   5.739  -4.171 -14.341
  562    HB3  SER  77           HB3      SER  77   4.657  -4.062 -15.746
  563    HG   SER  77           HG       SER  77   6.441  -2.616 -15.859
  564    H    MET  78           H        MET  78   4.004  -0.637 -13.677
  565    HA   MET  78           HA       MET  78   1.489   0.066 -14.936
  566    HB2  MET  78           HB2      MET  78   3.948   1.686 -14.140
  567    HB3  MET  78           HB3      MET  78   2.452   2.398 -14.776
  568    HG2  MET  78           HG2      MET  78   1.171   1.452 -12.925
  569    HG3  MET  78           HG3      MET  78   2.620   0.670 -12.287
  570    HE1  MET  78           HE1      MET  78   1.796   3.436  -9.634
  571    HE2  MET  78           HE2      MET  78   0.578   2.650 -10.658
  572    HE3  MET  78           HE3      MET  78   1.912   1.691  -9.982
  573    H    GLY  79           H        GLY  79   4.549  -0.873 -16.128
  574    HA2  GLY  79           HA2      GLY  79   4.355  -1.225 -18.651
  575    HA3  GLY  79           HA3      GLY  79   4.126   0.535 -18.714
  576    H    HIS  80           H        HIS  80   6.127   0.438 -16.198
  577    HA   HIS  80           HA       HIS  80   8.627   0.055 -17.728
  578    HB2  HIS  80           HB2      HIS  80   7.820   2.678 -16.420
  579    HB3  HIS  80           HB3      HIS  80   9.394   2.328 -17.144
  580    HD1  HIS  80           HD1      HIS  80   6.042   3.665 -18.071
  581    HD2  HIS  80           HD2      HIS  80   9.306   1.779 -19.926
  582    HE1  HIS  80           HE1      HIS  80   5.802   4.091 -20.576
  583    H    ARG  81           H        ARG  81   6.936  -0.244 -14.737
  584    HA   ARG  81           HA       ARG  81   9.441  -1.069 -13.498
  585    HB2  ARG  81           HB2      ARG  81   9.372   1.399 -13.085
  586    HB3  ARG  81           HB3      ARG  81   7.820   1.195 -12.260
  587    HG2  ARG  81           HG2      ARG  81   9.632   1.346 -10.630
  588    HG3  ARG  81           HG3      ARG  81   8.921  -0.271 -10.577
  589    HD2  ARG  81           HD2      ARG  81  10.806  -1.060 -12.079
  590    HD3  ARG  81           HD3      ARG  81  11.515   0.558 -11.937
  591    HE   ARG  81           HE       ARG  81  10.925  -0.827  -9.400
  592   HH11  ARG  81          HH11      ARG  81  13.342  -0.063 -11.871
  593   HH12  ARG  81          HH12      ARG  81  14.693  -0.453 -10.833
  594   HH21  ARG  81          HH21      ARG  81  12.712  -1.372  -8.087
  595   HH22  ARG  81          HH22      ARG  81  14.337  -1.169  -8.698
  596    H    TYR  82           H        TYR  82   9.231  -2.326 -11.734
  597    HA   TYR  82           HA       TYR  82   7.009  -4.071 -11.538
  598    HB2  TYR  82           HB2      TYR  82   9.383  -4.581 -11.276
  599    HB3  TYR  82           HB3      TYR  82   9.500  -3.481  -9.921
  600    HD1  TYR  82           HD1      TYR  82   6.567  -5.769  -9.703
  601    HD2  TYR  82           HD2      TYR  82  10.787  -5.237  -8.975
  602    HE1  TYR  82           HE1      TYR  82   6.541  -7.645  -8.091
  603    HE2  TYR  82           HE2      TYR  82  10.767  -7.089  -7.365
  604    HH   TYR  82           HH       TYR  82   9.481  -8.732  -6.358
  605    H    ILE  83           H        ILE  83   5.238  -4.011 -10.401
  606    HA   ILE  83           HA       ILE  83   5.028  -2.167  -8.073
  607    HB   ILE  83           HB       ILE  83   2.775  -3.109  -9.885
  608   HG12  ILE  83          HG12      ILE  83   4.283  -1.683 -11.212
  609   HG13  ILE  83          HG13      ILE  83   2.700  -0.954 -10.937
  610   HG21  ILE  83          HG21      ILE  83   2.970  -1.023  -7.682
  611   HG22  ILE  83          HG22      ILE  83   1.615  -1.099  -8.832
  612   HG23  ILE  83          HG23      ILE  83   1.920  -2.457  -7.740
  613   HD11  ILE  83          HD11      ILE  83   4.471   0.703 -10.688
  614   HD12  ILE  83          HD12      ILE  83   3.654   0.462  -9.137
  615   HD13  ILE  83          HD13      ILE  83   5.252  -0.272  -9.420
  616    H    GLU  84           H        GLU  84   3.430  -3.008  -6.433
  617    HA   GLU  84           HA       GLU  84   2.824  -5.884  -6.590
  618    HB2  GLU  84           HB2      GLU  84   4.842  -4.613  -4.787
  619    HB3  GLU  84           HB3      GLU  84   3.739  -5.799  -4.053
  620    HG2  GLU  84           HG2      GLU  84   4.345  -7.386  -5.944
  621    HG3  GLU  84           HG3      GLU  84   5.602  -6.226  -6.414
  622    H    VAL  85           H        VAL  85   1.228  -6.545  -5.023
  623    HA   VAL  85           HA       VAL  85  -0.218  -4.374  -3.626
  624    HB   VAL  85           HB       VAL  85  -1.716  -6.263  -5.464
  625   HG11  VAL  85          HG11      VAL  85  -2.393  -3.545  -4.271
  626   HG12  VAL  85          HG12      VAL  85  -3.447  -4.496  -5.331
  627   HG13  VAL  85          HG13      VAL  85  -3.035  -5.114  -3.730
  628   HG21  VAL  85          HG21      VAL  85  -1.870  -4.474  -7.131
  629   HG22  VAL  85          HG22      VAL  85  -0.736  -3.477  -6.185
  630   HG23  VAL  85          HG23      VAL  85  -0.197  -5.003  -6.932
  631    H    PHE  86           H        PHE  86  -1.782  -5.230  -2.082
  632    HA   PHE  86           HA       PHE  86  -1.933  -8.125  -1.700
  633    HB2  PHE  86           HB2      PHE  86   0.257  -7.221  -0.674
  634    HB3  PHE  86           HB3      PHE  86  -0.760  -6.451   0.531
  635    HD1  PHE  86           HD1      PHE  86   0.229  -9.755  -0.938
  636    HD2  PHE  86           HD2      PHE  86  -1.642  -7.696   2.340
  637    HE1  PHE  86           HE1      PHE  86   0.292 -11.822   0.398
  638    HE2  PHE  86           HE2      PHE  86  -1.590  -9.764   3.687
  639    HZ   PHE  86           HZ       PHE  86  -0.615 -11.848   2.717
  640    H    LYS  87           H        LYS  87  -3.355  -8.614   0.266
  641    HA   LYS  87           HA       LYS  87  -5.644  -6.819   0.112
  642    HB2  LYS  87           HB2      LYS  87  -5.646  -9.347  -0.018
  643    HB3  LYS  87           HB3      LYS  87  -5.283  -9.383   1.716
  644    HG2  LYS  87           HG2      LYS  87  -7.366  -8.115   2.147
  645    HG3  LYS  87           HG3      LYS  87  -7.670  -8.033   0.397
  646    HD2  LYS  87           HD2      LYS  87  -7.758 -10.515   0.302
  647    HD3  LYS  87           HD3      LYS  87  -7.478 -10.588   2.059
  648    HE2  LYS  87           HE2      LYS  87  -9.553  -9.297   2.440
  649    HE3  LYS  87           HE3      LYS  87  -9.836  -9.226   0.689
  650    HZ1  LYS  87           HZ1      LYS  87  -9.971 -11.625   0.682
  651    HZ2  LYS  87           HZ2      LYS  87  -9.714 -11.686   2.305
  652    HZ3  LYS  87           HZ3      LYS  87 -11.083 -10.995   1.715
  653    H    SER  88           H        SER  88  -6.693  -5.870   1.921
  654    HA   SER  88           HA       SER  88  -5.244  -5.766   4.492
  655    HB2  SER  88           HB2      SER  88  -4.197  -4.015   3.100
  656    HB3  SER  88           HB3      SER  88  -5.788  -3.273   2.848
  657    HG   SER  88           HG       SER  88  -4.557  -2.346   4.591
  658    H    HIS  89           H        HIS  89  -6.532  -4.042   5.927
  659    HA   HIS  89           HA       HIS  89  -9.454  -4.291   5.560
  660    HB2  HIS  89           HB2      HIS  89  -9.589  -5.401   7.848
  661    HB3  HIS  89           HB3      HIS  89  -8.959  -6.416   6.542
  662    HD1  HIS  89           HD1      HIS  89  -7.840  -4.816   9.818
  663    HD2  HIS  89           HD2      HIS  89  -6.334  -7.065   6.604
  664    HE1  HIS  89           HE1      HIS  89  -5.511  -5.616  10.511
  665    H    ARG  90           H        ARG  90  -6.998  -2.341   6.154
  666    HA   ARG  90           HA       ARG  90  -7.038  -0.159   6.708
  667    HB2  ARG  90           HB2      ARG  90  -9.574  -0.421   6.324
  668    HB3  ARG  90           HB3      ARG  90  -9.710  -0.443   8.095
  669    HG2  ARG  90           HG2      ARG  90  -8.551   1.751   8.198
  670    HG3  ARG  90           HG3      ARG  90  -8.389   1.735   6.426
  671    HD2  ARG  90           HD2      ARG  90 -10.874   1.606   6.236
  672    HD3  ARG  90           HD3      ARG  90 -10.999   1.769   7.995
  673    HE   ARG  90           HE       ARG  90 -10.186   3.834   6.031
  674   HH11  ARG  90          HH11      ARG  90 -10.625   2.974   9.438
  675   HH12  ARG  90          HH12      ARG  90 -10.627   4.637   9.973
  676   HH21  ARG  90          HH21      ARG  90 -10.180   5.970   6.753
  677   HH22  ARG  90          HH22      ARG  90 -10.374   6.338   8.451
  678    H    THR  91           H        THR  91  -7.794  -2.541   9.245
  679    HA   THR  91           HA       THR  91  -7.067  -0.806  11.431
  680    HB   THR  91           HB       THR  91  -6.895  -3.841  11.247
  681    HG1  THR  91           HG1      THR  91  -8.978  -3.701  12.197
  682   HG21  THR  91          HG21      THR  91  -7.105  -1.931  13.612
  683   HG22  THR  91          HG22      THR  91  -7.195  -3.705  13.712
  684   HG23  THR  91          HG23      THR  91  -5.693  -2.921  13.176
  685    H    GLU  92           H        GLU  92  -5.255  -3.091   9.338
  686    HA   GLU  92           HA       GLU  92  -2.697  -2.670  10.632
  687    HB2  GLU  92           HB2      GLU  92  -3.255  -4.605   9.135
  688    HB3  GLU  92           HB3      GLU  92  -3.388  -3.469   7.778
  689    HG2  GLU  92           HG2      GLU  92  -1.195  -4.536   7.761
  690    HG3  GLU  92           HG3      GLU  92  -1.031  -2.808   8.073
  691    H    MET  93           H        MET  93  -4.482  -1.054   7.987
  692    HA   MET  93           HA       MET  93  -2.363   0.525   7.016
  693    HB2  MET  93           HB2      MET  93  -4.638   0.261   5.992
  694    HB3  MET  93           HB3      MET  93  -5.300   1.287   7.281
  695    HG2  MET  93           HG2      MET  93  -3.739   3.111   6.580
  696    HG3  MET  93           HG3      MET  93  -3.182   2.079   5.259
  697    HE1  MET  93           HE1      MET  93  -6.667   3.000   6.862
  698    HE2  MET  93           HE2      MET  93  -5.820   4.537   6.588
  699    HE3  MET  93           HE3      MET  93  -7.285   4.151   5.654
  700    H    ASP  94           H        ASP  94  -4.687   1.139   9.692
  701    HA   ASP  94           HA       ASP  94  -3.776   3.771  10.296
  702    HB2  ASP  94           HB2      ASP  94  -5.955   2.702  10.925
  703    HB3  ASP  94           HB3      ASP  94  -5.078   1.709  12.091
  704    H    TRP  95           H        TRP  95  -2.665   0.572  11.229
  705    HA   TRP  95           HA       TRP  95  -1.199   1.403  13.573
  706    HB2  TRP  95           HB2      TRP  95  -2.113  -0.859  13.229
  707    HB3  TRP  95           HB3      TRP  95  -1.044  -1.096  11.855
  708    HD1  TRP  95           HD1      TRP  95  -1.115  -1.192  15.633
  709    HE1  TRP  95           HE1      TRP  95   1.077  -2.119  16.548
  710    HE3  TRP  95           HE3      TRP  95   1.580  -1.278  11.297
  711    HZ2  TRP  95           HZ2      TRP  95   3.715  -2.768  15.531
  712    HZ3  TRP  95           HZ3      TRP  95   3.937  -2.012  11.299
  713    HH2  TRP  95           HH2      TRP  95   5.019  -2.765  13.406
  714    H    VAL  96           H        VAL  96  -0.450   1.450  10.150
  715    HA   VAL  96           HA       VAL  96   2.420   1.955  10.846
  716    HB   VAL  96           HB       VAL  96   2.182  -0.141   9.653
  717   HG11  VAL  96          HG11      VAL  96   0.604   1.504   7.708
  718   HG12  VAL  96          HG12      VAL  96   1.404  -0.033   7.263
  719   HG13  VAL  96          HG13      VAL  96   0.164  -0.016   8.527
  720   HG21  VAL  96          HG21      VAL  96   3.264   1.976   7.764
  721   HG22  VAL  96          HG22      VAL  96   4.150   1.308   9.158
  722   HG23  VAL  96          HG23      VAL  96   3.684   0.253   7.807
  723    H    LEU  97           H        LEU  97  -0.470   3.363   9.513
  724    HA   LEU  97           HA       LEU  97   0.888   5.359   7.931
  725    HB2  LEU  97           HB2      LEU  97  -1.831   4.681   8.754
  726    HB3  LEU  97           HB3      LEU  97  -1.559   6.414   8.898
  727    HG   LEU  97           HG       LEU  97  -2.489   5.798   6.720
  728   HD11  LEU  97          HD11      LEU  97   0.388   6.783   6.511
  729   HD12  LEU  97          HD12      LEU  97  -0.890   7.018   5.305
  730   HD13  LEU  97          HD13      LEU  97  -1.029   7.786   6.903
  731   HD21  LEU  97          HD21      LEU  97  -1.210   4.561   5.072
  732   HD22  LEU  97          HD22      LEU  97   0.123   4.321   6.223
  733   HD23  LEU  97          HD23      LEU  97  -1.458   3.552   6.505
  734    H    LYS  98           H        LYS  98   0.976   4.803  11.259
  735    HA   LYS  98           HA       LYS  98   1.606   7.665  11.775
  736    HB2  LYS  98           HB2      LYS  98   0.054   5.782  13.583
  737    HB3  LYS  98           HB3      LYS  98   0.583   7.429  13.977
  738    HG2  LYS  98           HG2      LYS  98  -0.695   8.195  11.888
  739    HG3  LYS  98           HG3      LYS  98  -1.433   6.582  11.866
  740    HD2  LYS  98           HD2      LYS  98  -1.538   8.650  14.088
  741    HD3  LYS  98           HD3      LYS  98  -2.885   8.161  13.046
  742    HE2  LYS  98           HE2      LYS  98  -1.426   6.384  15.049
  743    HE3  LYS  98           HE3      LYS  98  -3.017   7.125  15.293
  744    HZ1  LYS  98           HZ1      LYS  98  -3.237   4.869  14.579
  745    HZ2  LYS  98           HZ2      LYS  98  -3.812   5.854  13.399
  746    HZ3  LYS  98           HZ3      LYS  98  -2.343   5.135  13.224
  747    H    HIS  99           H        HIS  99   2.891   4.649  11.540
  748    HA   HIS  99           HA       HIS  99   5.182   5.354  13.211
  749    HB2  HIS  99           HB2      HIS  99   3.664   4.286  14.849
  750    HB3  HIS  99           HB3      HIS  99   3.491   2.885  13.784
  751    HD1  HIS  99           HD1      HIS  99   5.358   1.036  14.015
  752    HD2  HIS  99           HD2      HIS  99   6.211   4.684  15.922
  753    HE1  HIS  99           HE1      HIS  99   7.478   0.662  15.385
  754    H    SER 100           H        SER 100   7.054   4.289  12.496
  755    HA   SER 100           HA       SER 100   6.813   2.093  10.542
  756    HB2  SER 100           HB2      SER 100   8.160   4.736   9.847
  757    HB3  SER 100           HB3      SER 100   8.092   3.283   8.831
  758    HG   SER 100           HG       SER 100   5.780   3.530   8.874
  759    H    GLY 101           H        GLY 101   9.046   1.373   9.833
  760    HA2  GLY 101           HA2      GLY 101  11.352   2.153  11.309
  761    HA3  GLY 101           HA3      GLY 101  10.630   0.717  12.053
  762    HA   PRO 102           HA       PRO 102  13.398  -0.458   8.416
  763    HB2  PRO 102           HB2      PRO 102  15.294  -1.869   9.798
  764    HB3  PRO 102           HB3      PRO 102  15.366  -0.089   9.583
  765    HG2  PRO 102           HG2      PRO 102  14.311  -1.638  11.964
  766    HG3  PRO 102           HG3      PRO 102  15.448  -0.249  11.962
  767    HD2  PRO 102           HD2      PRO 102  12.775   0.069  12.413
  768    HD3  PRO 102           HD3      PRO 102  13.714   1.284  11.488
  769    H5'    A   1           H5'        A   1  21.418   1.976  -1.404
  770   H5''    A   1          H5''        A   1  19.873   1.976  -0.518
  771    H4'    A   1           H4'        A   1  21.479  -0.579  -0.962
  772    H3'    A   1           H3'        A   1  20.672   0.613  -3.185
  773    H2'    A   1           H2'        A   1  18.687   1.572  -2.135
  774   HO2'    A   1          HO2'        A   1  18.118  -0.693  -3.760
  775    H1'    A   1           H1'        A   1  17.902  -1.221  -1.370
  776    H8     A   1           H8         A   1  16.821  -1.490   0.971
  777    H61    A   1           H61        A   1  13.849   3.766   2.389
  778    H62    A   1           H62        A   1  14.063   2.083   2.827
  779    H2     A   1           H2         A   1  16.580   4.589  -0.998
  780   HO5'    A   1          HO5'        A   1  21.690   2.388   0.844
  781    H5'    G   2           H5'        G   2  18.243  -3.934  -4.675
  782   H5''    G   2          H5''        G   2  16.858  -3.060  -5.370
  783    H4'    G   2           H4'        G   2  17.786  -2.526  -2.557
  784    H3'    G   2           H3'        G   2  15.581  -4.405  -3.481
  785    H2'    G   2           H2'        G   2  14.803  -4.059  -1.257
  786   HO2'    G   2          HO2'        G   2  16.826  -4.259  -0.169
  787    H1'    G   2           H1'        G   2  15.746  -1.368  -1.370
  788    H8     G   2           H8         G   2  13.367  -2.910  -0.265
  789    H1     G   2           H1         G   2  10.529   0.390  -4.953
  790    H21    G   2           H21        G   2  12.018   0.885  -6.532
  791    H22    G   2           H22        G   2  13.703   0.433  -6.382
  792    H5'    G   3           H5'        G   3  13.814  -6.982  -1.588
  793   H5''    G   3          H5''        G   3  14.521  -8.533  -2.088
  794    H4'    G   3           H4'        G   3  12.426  -8.338  -3.221
  795    H3'    G   3           H3'        G   3  14.876  -8.343  -4.773
  796    H2'    G   3           H2'        G   3  14.341  -6.308  -5.773
  797   HO2'    G   3          HO2'        G   3  14.086  -7.879  -7.461
  798    H1'    G   3           H1'        G   3  11.417  -7.043  -5.346
  799    H8     G   3           H8         G   3  13.989  -4.300  -6.065
  800    H1     G   3           H1         G   3   7.891  -2.729  -7.297
  801    H21    G   3           H21        G   3   6.544  -4.037  -6.141
  802    H22    G   3           H22        G   3   7.155  -5.352  -5.159
  803    H5'    G   4           H5'        G   4  14.383 -10.665  -1.968
  804   H5''    G   4          H5''        G   4  13.821 -12.313  -2.329
  805    H4'    G   4           H4'        G   4  13.178 -11.643  -0.060
  806    H3'    G   4           H3'        G   4  11.586 -12.985  -1.761
  807    H2'    G   4           H2'        G   4  10.633 -10.970  -2.714
  808   HO2'    G   4          HO2'        G   4   8.938 -11.942  -0.675
  809    H1'    G   4           H1'        G   4  10.227  -9.972   0.097
  810    H8     G   4           H8         G   4   9.011  -9.463  -3.061
  811    H1     G   4           H1         G   4  11.117  -3.781  -0.962
  812    H21    G   4           H21        G   4  12.362  -4.084   0.885
  813    H22    G   4           H22        G   4  12.752  -5.684   1.477
  814    H5'    A   5           H5'        A   5   8.697 -11.517   1.099
  815   H5''    A   5          H5''        A   5   8.248 -12.808   2.227
  816    H4'    A   5           H4'        A   5   6.337 -11.419   1.620
  817    H3'    A   5           H3'        A   5   6.259 -14.118   1.848
  818    H2'    A   5           H2'        A   5   6.841 -14.623  -0.405
  819   HO2'    A   5          HO2'        A   5   4.813 -15.644   0.023
  820    H1'    A   5           H1'        A   5   4.908 -12.597  -1.447
  821    H8     A   5           H8         A   5   8.286 -14.280  -1.825
  822    H61    A   5           H61        A   5   7.983 -12.448  -7.756
  823    H62    A   5           H62        A   5   8.847 -13.475  -6.625
  824    H2     A   5           H2         A   5   4.703 -10.478  -5.510
  825    H5'    U   6           H5'        U   6   2.542  -9.899   2.350
  826   H5''    U   6          H5''        U   6   2.989 -10.719   0.850
  827    H4'    U   6           H4'        U   6   4.452  -8.256   1.893
  828    H3'    U   6           H3'        U   6   1.818  -8.590   0.712
  829   HO3'    U   6          HO3'        U   6   3.127  -6.155   1.289
  830    H2'    U   6           H2'        U   6   2.089  -7.696  -1.332
  831   HO2'    U   6          HO2'        U   6   3.490  -5.917  -1.718
  832    H1'    U   6           H1'        U   6   4.794  -7.903  -1.827
  833    H3     U   6           H3         U   6   1.698  -9.929  -4.734
  834    H5     U   6           H5         U   6   2.951 -12.784  -1.911
  835    H6     U   6           H6         U   6   4.085 -11.032  -0.735
  Start of MODEL   15
    1    H    MET   1           H        MET   1 -18.024  -2.112   7.467
    2    HA   MET   1           HA       MET   1 -18.201  -2.643   4.586
    3    HB2  MET   1           HB2      MET   1 -15.804  -1.798   6.259
    4    HB3  MET   1           HB3      MET   1 -15.776  -2.242   4.542
    5    HG2  MET   1           HG2      MET   1 -17.270   0.096   5.784
    6    HG3  MET   1           HG3      MET   1 -15.802   0.184   4.809
    7    HE1  MET   1           HE1      MET   1 -16.859   2.027   3.296
    8    HE2  MET   1           HE2      MET   1 -18.450   1.884   2.514
    9    HE3  MET   1           HE3      MET   1 -18.336   1.968   4.287
   10    H    MET   2           H        MET   2 -15.937  -3.550   7.242
   11    HA   MET   2           HA       MET   2 -15.672  -6.243   6.303
   12    HB2  MET   2           HB2      MET   2 -15.044  -4.974   8.998
   13    HB3  MET   2           HB3      MET   2 -14.495  -6.578   8.467
   14    HG2  MET   2           HG2      MET   2 -13.370  -5.519   6.522
   15    HG3  MET   2           HG3      MET   2 -13.825  -3.927   7.134
   16    HE1  MET   2           HE1      MET   2 -11.750  -3.622  10.429
   17    HE2  MET   2           HE2      MET   2 -12.894  -2.835   9.318
   18    HE3  MET   2           HE3      MET   2 -13.415  -4.229  10.291
   19    H    LEU   3           H        LEU   3 -16.105  -8.157   7.811
   20    HA   LEU   3           HA       LEU   3 -18.921  -8.365   8.315
   21    HB2  LEU   3           HB2      LEU   3 -16.603 -10.140   9.187
   22    HB3  LEU   3           HB3      LEU   3 -18.316 -10.593   9.212
   23    HG   LEU   3           HG       LEU   3 -16.696  -9.898   6.722
   24   HD11  LEU   3          HD11      LEU   3 -17.806 -12.543   7.750
   25   HD12  LEU   3          HD12      LEU   3 -16.955 -12.293   6.206
   26   HD13  LEU   3          HD13      LEU   3 -16.092 -12.063   7.744
   27   HD21  LEU   3          HD21      LEU   3 -19.567 -10.875   7.043
   28   HD22  LEU   3          HD22      LEU   3 -19.060  -9.280   6.432
   29   HD23  LEU   3          HD23      LEU   3 -18.691 -10.743   5.501
   30    H    GLY   4           H        GLY   4 -16.429  -6.948  10.158
   31    HA2  GLY   4           HA2      GLY   4 -18.052  -6.119  12.264
   32    HA3  GLY   4           HA3      GLY   4 -17.273  -7.615  12.817
   33    HA   PRO   5           HA       PRO   5 -14.404  -3.895  13.292
   34    HB2  PRO   5           HB2      PRO   5 -14.301  -3.734  16.017
   35    HB3  PRO   5           HB3      PRO   5 -15.620  -2.985  15.057
   36    HG2  PRO   5           HG2      PRO   5 -15.637  -5.680  16.452
   37    HG3  PRO   5           HG3      PRO   5 -16.868  -4.375  16.557
   38    HD2  PRO   5           HD2      PRO   5 -17.144  -6.490  14.854
   39    HD3  PRO   5           HD3      PRO   5 -17.670  -4.845  14.379
   40    H    GLU   6           H        GLU   6 -14.489  -7.196  13.901
   41    HA   GLU   6           HA       GLU   6 -11.559  -7.283  14.333
   42    HB2  GLU   6           HB2      GLU   6 -13.618  -8.870  15.929
   43    HB3  GLU   6           HB3      GLU   6 -11.862  -9.120  15.981
   44    HG2  GLU   6           HG2      GLU   6 -11.564  -6.788  16.786
   45    HG3  GLU   6           HG3      GLU   6 -13.325  -6.577  16.799
   46    H    GLY   7           H        GLY   7 -13.859  -7.874  12.200
   47    HA2  GLY   7           HA2      GLY   7 -13.431 -10.748  11.738
   48    HA3  GLY   7           HA3      GLY   7 -14.495  -9.652  10.836
   49    H    GLY   8           H        GLY   8 -11.995  -7.739  10.745
   50    HA2  GLY   8           HA2      GLY   8 -10.283  -7.277   9.292
   51    HA3  GLY   8           HA3      GLY   8  -9.973  -9.015   9.204
   52    H    GLU   9           H        GLU   9  -9.378  -8.220   6.985
   53    HA   GLU   9           HA       GLU   9  -9.688  -7.993   4.767
   54    HB2  GLU   9           HB2      GLU   9 -11.839  -9.984   5.453
   55    HB3  GLU   9           HB3      GLU   9 -11.353  -9.597   3.783
   56    HG2  GLU   9           HG2      GLU   9  -9.002 -10.214   4.375
   57    HG3  GLU   9           HG3      GLU   9  -9.563 -10.715   5.981
   58    H    GLY  10           H        GLY  10 -10.132  -5.888   4.515
   59    HA2  GLY  10           HA2      GLY  10 -12.988  -5.066   4.302
   60    HA3  GLY  10           HA3      GLY  10 -11.657  -4.008   4.787
   61    H    PHE  11           H        PHE  11 -12.991  -2.958   2.849
   62    HA   PHE  11           HA       PHE  11 -12.125  -3.875   0.213
   63    HB2  PHE  11           HB2      PHE  11 -13.619  -1.345   0.880
   64    HB3  PHE  11           HB3      PHE  11 -13.605  -2.222  -0.643
   65    HD1  PHE  11           HD1      PHE  11 -13.901  -5.045   0.896
   66    HD2  PHE  11           HD2      PHE  11 -16.063  -1.319   0.928
   67    HE1  PHE  11           HE1      PHE  11 -15.933  -6.233   1.621
   68    HE2  PHE  11           HE2      PHE  11 -18.109  -2.522   1.647
   69    HZ   PHE  11           HZ       PHE  11 -18.045  -4.976   2.012
   70    H    VAL  12           H        VAL  12  -9.930  -3.436   1.653
   71    HA   VAL  12           HA       VAL  12  -8.764  -0.902   0.601
   72    HB   VAL  12           HB       VAL  12  -8.436  -2.107   3.388
   73   HG11  VAL  12          HG11      VAL  12  -7.186   0.390   2.171
   74   HG12  VAL  12          HG12      VAL  12  -7.079  -0.112   3.879
   75   HG13  VAL  12          HG13      VAL  12  -6.335  -1.106   2.621
   76   HG21  VAL  12          HG21      VAL  12  -9.761   0.470   2.456
   77   HG22  VAL  12          HG22      VAL  12 -10.558  -0.934   3.210
   78   HG23  VAL  12          HG23      VAL  12  -9.424   0.056   4.151
   79    H    VAL  13           H        VAL  13  -6.558  -1.118   0.017
   80    HA   VAL  13           HA       VAL  13  -5.357  -3.814   0.396
   81    HB   VAL  13           HB       VAL  13  -4.554  -3.796  -1.945
   82   HG11  VAL  13          HG11      VAL  13  -6.541  -5.091  -1.235
   83   HG12  VAL  13          HG12      VAL  13  -7.585  -3.724  -1.696
   84   HG13  VAL  13          HG13      VAL  13  -6.632  -4.580  -2.930
   85   HG21  VAL  13          HG21      VAL  13  -4.791  -1.384  -2.440
   86   HG22  VAL  13          HG22      VAL  13  -5.670  -2.379  -3.618
   87   HG23  VAL  13          HG23      VAL  13  -6.561  -1.533  -2.335
   88    H    LYS  14           H        LYS  14  -3.109  -3.924   0.146
   89    HA   LYS  14           HA       LYS  14  -1.685  -1.442   0.858
   90    HB2  LYS  14           HB2      LYS  14  -0.448  -4.170   0.404
   91    HB3  LYS  14           HB3      LYS  14   0.111  -2.858   1.451
   92    HG2  LYS  14           HG2      LYS  14  -1.993  -3.244   2.855
   93    HG3  LYS  14           HG3      LYS  14  -2.291  -4.687   1.864
   94    HD2  LYS  14           HD2      LYS  14   0.036  -5.489   2.483
   95    HD3  LYS  14           HD3      LYS  14   0.111  -4.148   3.650
   96    HE2  LYS  14           HE2      LYS  14  -1.986  -5.027   4.714
   97    HE3  LYS  14           HE3      LYS  14  -1.966  -6.376   3.570
   98    HZ1  LYS  14           HZ1      LYS  14  -0.975  -7.001   5.638
   99    HZ2  LYS  14           HZ2      LYS  14   0.196  -6.991   4.475
  100    HZ3  LYS  14           HZ3      LYS  14   0.097  -5.761   5.572
  101    H    LEU  15           H        LEU  15   0.269  -0.797  -0.368
  102    HA   LEU  15           HA       LEU  15   0.463  -1.820  -3.136
  103    HB2  LEU  15           HB2      LEU  15  -1.120   0.290  -2.627
  104    HB3  LEU  15           HB3      LEU  15   0.416   1.142  -2.598
  105    HG   LEU  15           HG       LEU  15  -0.581   1.350  -4.736
  106   HD11  LEU  15          HD11      LEU  15   1.584  -0.750  -5.093
  107   HD12  LEU  15          HD12      LEU  15   1.119   0.521  -6.235
  108   HD13  LEU  15          HD13      LEU  15   1.905   0.964  -4.704
  109   HD21  LEU  15          HD21      LEU  15  -2.070  -0.601  -4.656
  110   HD22  LEU  15          HD22      LEU  15  -1.140  -0.582  -6.171
  111   HD23  LEU  15          HD23      LEU  15  -0.680  -1.689  -4.860
  112    H    ARG  16           H        ARG  16   2.571  -1.752  -3.866
  113    HA   ARG  16           HA       ARG  16   4.566  -0.026  -2.577
  114    HB2  ARG  16           HB2      ARG  16   4.442  -2.047  -1.111
  115    HB3  ARG  16           HB3      ARG  16   4.835  -3.068  -2.509
  116    HG2  ARG  16           HG2      ARG  16   7.017  -1.976  -2.737
  117    HG3  ARG  16           HG3      ARG  16   6.581  -0.791  -1.490
  118    HD2  ARG  16           HD2      ARG  16   8.023  -2.464  -0.505
  119    HD3  ARG  16           HD3      ARG  16   6.394  -2.623   0.174
  120    HE   ARG  16           HE       ARG  16   6.875  -4.347  -2.137
  121   HH11  ARG  16          HH11      ARG  16   7.202  -4.081   1.379
  122   HH12  ARG  16          HH12      ARG  16   7.249  -5.813   1.610
  123   HH21  ARG  16          HH21      ARG  16   6.956  -6.547  -1.814
  124   HH22  ARG  16          HH22      ARG  16   7.072  -7.225  -0.200
  125    H    GLY  17           H        GLY  17   6.475   0.162  -3.960
  126    HA2  GLY  17           HA2      GLY  17   7.589  -1.205  -5.854
  127    HA3  GLY  17           HA3      GLY  17   6.054  -0.951  -6.696
  128    H    LEU  18           H        LEU  18   7.858  -0.048  -8.174
  129    HA   LEU  18           HA       LEU  18   8.818   1.705  -9.247
  130    HB2  LEU  18           HB2      LEU  18   6.870   3.374  -7.597
  131    HB3  LEU  18           HB3      LEU  18   7.697   3.896  -9.054
  132    HG   LEU  18           HG       LEU  18   5.531   1.791  -8.802
  133   HD11  LEU  18          HD11      LEU  18   4.459   3.252 -10.487
  134   HD12  LEU  18          HD12      LEU  18   4.852   4.151  -9.007
  135   HD13  LEU  18          HD13      LEU  18   5.871   4.327 -10.457
  136   HD21  LEU  18          HD21      LEU  18   5.882   1.523 -11.315
  137   HD22  LEU  18          HD22      LEU  18   7.448   2.329 -11.103
  138   HD23  LEU  18          HD23      LEU  18   7.113   0.775 -10.279
  139    HA   PRO  19           HA       PRO  19  11.997   3.729  -6.792
  140    HB2  PRO  19           HB2      PRO  19  11.949   6.337  -7.773
  141    HB3  PRO  19           HB3      PRO  19  12.836   4.963  -8.511
  142    HG2  PRO  19           HG2      PRO  19  10.106   6.040  -9.241
  143    HG3  PRO  19           HG3      PRO  19  11.447   5.569 -10.340
  144    HD2  PRO  19           HD2      PRO  19   9.400   3.883  -9.913
  145    HD3  PRO  19           HD3      PRO  19  11.068   3.252  -9.925
  146    H    TRP  20           H        TRP  20  12.028   4.863  -4.853
  147    HA   TRP  20           HA       TRP  20   9.417   5.150  -3.734
  148    HB2  TRP  20           HB2      TRP  20  10.892   5.905  -1.674
  149    HB3  TRP  20           HB3      TRP  20  10.713   4.244  -2.192
  150    HD1  TRP  20           HD1      TRP  20  13.324   7.048  -2.804
  151    HE1  TRP  20           HE1      TRP  20  15.646   5.985  -2.794
  152    HE3  TRP  20           HE3      TRP  20  11.960   2.148  -2.242
  153    HZ2  TRP  20           HZ2      TRP  20  16.780   3.295  -2.400
  154    HZ3  TRP  20           HZ3      TRP  20  13.685   0.412  -1.937
  155    HH2  TRP  20           HH2      TRP  20  16.067   0.981  -2.028
  156    H    SER  21           H        SER  21   8.852   6.856  -5.354
  157    HA   SER  21           HA       SER  21   8.786   9.441  -4.005
  158    HB2  SER  21           HB2      SER  21   9.562  10.680  -6.012
  159    HB3  SER  21           HB3      SER  21  10.843   9.646  -5.347
  160    HG   SER  21           HG       SER  21  10.346   8.109  -6.942
  161    H    CYS  22           H        CYS  22   7.096   7.073  -5.045
  162    HA   CYS  22           HA       CYS  22   5.532   7.819  -7.265
  163    HB2  CYS  22           HB2      CYS  22   5.821   5.557  -6.177
  164    HB3  CYS  22           HB3      CYS  22   4.740   6.105  -4.879
  165    HG   CYS  22           HG       CYS  22   4.167   6.001  -8.139
  166    H    SER  23           H        SER  23   3.059   8.091  -7.096
  167    HA   SER  23           HA       SER  23   2.226   9.891  -4.899
  168    HB2  SER  23           HB2      SER  23   1.438  11.590  -6.435
  169    HB3  SER  23           HB3      SER  23   3.170  11.328  -6.708
  170    HG   SER  23           HG       SER  23   2.001  11.383  -8.669
  171    H    VAL  24           H        VAL  24  -0.148  10.486  -5.190
  172    HA   VAL  24           HA       VAL  24  -1.577   8.029  -5.125
  173    HB   VAL  24           HB       VAL  24  -3.104   9.228  -4.041
  174   HG11  VAL  24          HG11      VAL  24  -1.334  11.651  -4.551
  175   HG12  VAL  24          HG12      VAL  24  -2.541  11.466  -3.265
  176   HG13  VAL  24          HG13      VAL  24  -1.089  10.450  -3.255
  177   HG21  VAL  24          HG21      VAL  24  -4.194  11.271  -4.853
  178   HG22  VAL  24          HG22      VAL  24  -3.146  11.249  -6.293
  179   HG23  VAL  24          HG23      VAL  24  -4.304   9.920  -5.985
  180    H    GLU  25           H        GLU  25  -0.874  10.132  -7.828
  181    HA   GLU  25           HA       GLU  25  -3.299   9.358  -9.289
  182    HB2  GLU  25           HB2      GLU  25  -0.760  10.824 -10.133
  183    HB3  GLU  25           HB3      GLU  25  -2.199  10.582 -11.145
  184    HG2  GLU  25           HG2      GLU  25  -3.574  11.796  -9.467
  185    HG3  GLU  25           HG3      GLU  25  -2.122  12.073  -8.487
  186    H    ASP  26           H        ASP  26   0.061   8.224  -8.996
  187    HA   ASP  26           HA       ASP  26  -0.105   6.607 -11.424
  188    HB2  ASP  26           HB2      ASP  26   1.813   6.597  -9.060
  189    HB3  ASP  26           HB3      ASP  26   2.007   5.612 -10.517
  190    H    VAL  27           H        VAL  27  -0.603   6.120  -7.899
  191    HA   VAL  27           HA       VAL  27  -0.817   3.281  -8.065
  192    HB   VAL  27           HB       VAL  27  -1.900   3.563  -5.802
  193   HG11  VAL  27          HG11      VAL  27   0.142   4.404  -4.741
  194   HG12  VAL  27          HG12      VAL  27   0.550   3.353  -6.116
  195   HG13  VAL  27          HG13      VAL  27   0.665   5.120  -6.283
  196   HG21  VAL  27          HG21      VAL  27  -1.432   6.485  -6.343
  197   HG22  VAL  27          HG22      VAL  27  -3.018   5.703  -6.113
  198   HG23  VAL  27          HG23      VAL  27  -1.861   5.775  -4.770
  199    H    GLN  28           H        GLN  28  -3.344   5.907  -8.271
  200    HA   GLN  28           HA       GLN  28  -5.419   3.892  -8.501
  201    HB2  GLN  28           HB2      GLN  28  -6.902   5.747  -8.999
  202    HB3  GLN  28           HB3      GLN  28  -5.902   6.080  -7.575
  203    HG2  GLN  28           HG2      GLN  28  -4.390   7.442  -9.003
  204    HG3  GLN  28           HG3      GLN  28  -5.466   7.190 -10.384
  205   HE21  GLN  28          HE21      GLN  28  -5.299   8.510  -7.052
  206   HE22  GLN  28          HE22      GLN  28  -6.644   9.615  -7.228
  207    H    ASN  29           H        ASN  29  -3.177   5.408 -10.741
  208    HA   ASN  29           HA       ASN  29  -4.658   4.854 -13.149
  209    HB2  ASN  29           HB2      ASN  29  -2.977   6.239 -13.766
  210    HB3  ASN  29           HB3      ASN  29  -2.031   5.840 -12.330
  211   HD21  ASN  29          HD21      ASN  29  -0.600   4.059 -12.314
  212   HD22  ASN  29          HD22      ASN  29   0.028   3.400 -13.809
  213    H    PHE  30           H        PHE  30  -2.688   2.882 -10.975
  214    HA   PHE  30           HA       PHE  30  -2.207   0.827 -13.009
  215    HB2  PHE  30           HB2      PHE  30  -0.483   1.303 -11.450
  216    HB3  PHE  30           HB3      PHE  30  -1.567   1.156 -10.073
  217    HD1  PHE  30           HD1      PHE  30  -0.011  -0.810 -12.860
  218    HD2  PHE  30           HD2      PHE  30  -1.846  -0.900  -8.975
  219    HE1  PHE  30           HE1      PHE  30   0.616  -3.200 -12.616
  220    HE2  PHE  30           HE2      PHE  30  -1.259  -3.288  -8.748
  221    HZ   PHE  30           HZ       PHE  30   0.011  -4.433 -10.555
  222    H    LEU  31           H        LEU  31  -4.363   1.302 -10.181
  223    HA   LEU  31           HA       LEU  31  -5.589  -1.343 -10.652
  224    HB2  LEU  31           HB2      LEU  31  -6.274   0.876  -8.667
  225    HB3  LEU  31           HB3      LEU  31  -7.105  -0.667  -8.805
  226    HG   LEU  31           HG       LEU  31  -5.706  -1.083  -7.044
  227   HD11  LEU  31          HD11      LEU  31  -3.957  -1.928  -9.377
  228   HD12  LEU  31          HD12      LEU  31  -4.002  -2.636  -7.749
  229   HD13  LEU  31          HD13      LEU  31  -5.413  -2.783  -8.821
  230   HD21  LEU  31          HD21      LEU  31  -4.467   1.014  -7.167
  231   HD22  LEU  31          HD22      LEU  31  -3.394  -0.371  -6.855
  232   HD23  LEU  31          HD23      LEU  31  -3.461   0.355  -8.477
  233    H    SER  32           H        SER  32  -5.670  -0.148 -12.942
  234    HA   SER  32           HA       SER  32  -7.612   1.807 -13.497
  235    HB2  SER  32           HB2      SER  32  -7.204   1.143 -15.841
  236    HB3  SER  32           HB3      SER  32  -5.700   1.298 -14.911
  237    HG   SER  32           HG       SER  32  -7.066  -1.102 -15.571
  238    H    ASP  33           H        ASP  33  -8.468  -1.081 -12.250
  239    HA   ASP  33           HA       ASP  33 -10.963  -1.199 -13.896
  240    HB2  ASP  33           HB2      ASP  33  -9.728  -3.503 -12.357
  241    HB3  ASP  33           HB3      ASP  33 -11.083  -3.566 -13.487
  242    H    CYS  34           H        CYS  34  -9.741  -0.109 -11.063
  243    HA   CYS  34           HA       CYS  34 -11.958  -1.114  -9.345
  244    HB2  CYS  34           HB2      CYS  34  -9.189  -0.050  -8.657
  245    HB3  CYS  34           HB3      CYS  34 -10.395  -0.627  -7.492
  246    HG   CYS  34           HG       CYS  34  -8.601  -2.471  -7.737
  247    H    THR  35           H        THR  35 -12.022   0.636  -7.358
  248    HA   THR  35           HA       THR  35 -12.253   3.375  -8.452
  249    HB   THR  35           HB       THR  35 -14.434   1.762  -7.056
  250    HG1  THR  35           HG1      THR  35 -14.319   1.481  -9.299
  251   HG21  THR  35          HG21      THR  35 -14.317   4.717  -7.764
  252   HG22  THR  35          HG22      THR  35 -15.786   3.850  -7.249
  253   HG23  THR  35          HG23      THR  35 -14.416   4.008  -6.132
  254    H    ILE  36           H        ILE  36 -11.602   4.846  -7.043
  255    HA   ILE  36           HA       ILE  36 -10.353   3.916  -4.559
  256    HB   ILE  36           HB       ILE  36 -10.529   6.767  -5.531
  257   HG12  ILE  36          HG12      ILE  36  -9.946   5.458  -7.538
  258   HG13  ILE  36          HG13      ILE  36  -8.627   6.492  -6.984
  259   HG21  ILE  36          HG21      ILE  36  -9.437   6.375  -3.377
  260   HG22  ILE  36          HG22      ILE  36  -8.421   5.104  -4.086
  261   HG23  ILE  36          HG23      ILE  36  -8.196   6.792  -4.582
  262   HD11  ILE  36          HD11      ILE  36  -7.857   4.246  -7.671
  263   HD12  ILE  36          HD12      ILE  36  -7.484   4.598  -5.975
  264   HD13  ILE  36          HD13      ILE  36  -8.852   3.520  -6.390
  265    H    HIS  37           H        HIS  37 -10.952   4.442  -2.515
  266    HA   HIS  37           HA       HIS  37 -13.619   4.672  -1.828
  267    HB2  HIS  37           HB2      HIS  37 -11.724   3.907  -0.469
  268    HB3  HIS  37           HB3      HIS  37 -11.207   5.583  -0.286
  269    HD1  HIS  37           HD1      HIS  37 -13.763   3.072   0.998
  270    HD2  HIS  37           HD2      HIS  37 -12.823   7.148   1.286
  271    HE1  HIS  37           HE1      HIS  37 -15.095   3.980   2.986
  272    H    ASP  38           H        ASP  38 -11.331   7.401  -2.340
  273    HA   ASP  38           HA       ASP  38 -13.669   9.142  -2.755
  274    HB2  ASP  38           HB2      ASP  38 -11.542   9.681  -0.637
  275    HB3  ASP  38           HB3      ASP  38 -12.521  10.952  -1.376
  276    H    GLY  39           H        GLY  39 -10.766   7.985  -3.872
  277    HA2  GLY  39           HA2      GLY  39  -9.660   8.814  -5.807
  278    HA3  GLY  39           HA3      GLY  39 -10.265  10.442  -5.451
  279    H    ALA  40           H        ALA  40  -8.462  11.652  -5.182
  280    HA   ALA  40           HA       ALA  40  -6.051  10.776  -3.953
  281    HB1  ALA  40           HB1      ALA  40  -7.188  13.572  -4.352
  282    HB2  ALA  40           HB2      ALA  40  -5.488  13.188  -3.978
  283    HB3  ALA  40           HB3      ALA  40  -6.200  12.656  -5.521
  284    H    ALA  41           H        ALA  41  -8.979  11.051  -2.483
  285    HA   ALA  41           HA       ALA  41  -7.828  11.847   0.140
  286    HB1  ALA  41           HB1      ALA  41 -10.192  12.228   0.800
  287    HB2  ALA  41           HB2      ALA  41  -9.696  13.247  -0.571
  288    HB3  ALA  41           HB3      ALA  41 -10.697  11.807  -0.853
  289    H    GLY  42           H        GLY  42  -7.801   9.213  -1.479
  290    HA2  GLY  42           HA2      GLY  42  -8.634   7.471   0.779
  291    HA3  GLY  42           HA3      GLY  42  -9.082   7.068  -0.895
  292    H    VAL  43           H        VAL  43  -6.015   8.649  -0.116
  293    HA   VAL  43           HA       VAL  43  -4.578   6.115  -0.775
  294    HB   VAL  43           HB       VAL  43  -4.544   8.135  -2.480
  295   HG11  VAL  43          HG11      VAL  43  -2.551   9.142  -0.409
  296   HG12  VAL  43          HG12      VAL  43  -2.944   9.866  -1.971
  297   HG13  VAL  43          HG13      VAL  43  -4.164   9.844  -0.692
  298   HG21  VAL  43          HG21      VAL  43  -3.051   6.141  -2.536
  299   HG22  VAL  43          HG22      VAL  43  -2.227   7.622  -3.051
  300   HG23  VAL  43          HG23      VAL  43  -1.929   6.968  -1.434
  301    H    HIS  44           H        HIS  44  -2.423   5.927   0.180
  302    HA   HIS  44           HA       HIS  44  -1.685   7.784   2.346
  303    HB2  HIS  44           HB2      HIS  44  -2.147   4.804   2.743
  304    HB3  HIS  44           HB3      HIS  44  -1.286   5.850   3.877
  305    HD1  HIS  44           HD1      HIS  44  -2.790   7.589   5.299
  306    HD2  HIS  44           HD2      HIS  44  -4.830   4.952   2.742
  307    HE1  HIS  44           HE1      HIS  44  -5.240   7.663   5.987
  308    H    PHE  45           H        PHE  45   0.558   7.458   3.002
  309    HA   PHE  45           HA       PHE  45   2.185   5.541   1.461
  310    HB2  PHE  45           HB2      PHE  45   2.516   8.566   1.396
  311    HB3  PHE  45           HB3      PHE  45   3.792   7.435   0.952
  312    HD1  PHE  45           HD1      PHE  45   3.637   6.066  -1.088
  313    HD2  PHE  45           HD2      PHE  45   0.592   8.924  -0.062
  314    HE1  PHE  45           HE1      PHE  45   2.716   5.911  -3.387
  315    HE2  PHE  45           HE2      PHE  45  -0.330   8.758  -2.354
  316    HZ   PHE  45           HZ       PHE  45   0.714   7.242  -4.014
  317    H    ILE  46           H        ILE  46   4.095   4.976   2.599
  318    HA   ILE  46           HA       ILE  46   3.971   5.789   5.438
  319    HB   ILE  46           HB       ILE  46   5.992   3.820   4.480
  320   HG12  ILE  46          HG12      ILE  46   4.116   3.065   3.162
  321   HG13  ILE  46          HG13      ILE  46   4.432   1.961   4.497
  322   HG21  ILE  46          HG21      ILE  46   4.078   3.969   6.850
  323   HG22  ILE  46          HG22      ILE  46   5.333   2.736   6.617
  324   HG23  ILE  46          HG23      ILE  46   5.792   4.439   6.839
  325   HD11  ILE  46          HD11      ILE  46   2.496   2.805   5.703
  326   HD12  ILE  46          HD12      ILE  46   2.207   4.032   4.439
  327   HD13  ILE  46          HD13      ILE  46   2.049   2.310   4.048
  328    H    TYR  47           H        TYR  47   5.659   6.795   6.527
  329    HA   TYR  47           HA       TYR  47   8.258   7.221   5.324
  330    HB2  TYR  47           HB2      TYR  47   8.128   9.658   5.237
  331    HB3  TYR  47           HB3      TYR  47   7.055   8.880   4.072
  332    HD1  TYR  47           HD1      TYR  47   4.631   8.986   4.295
  333    HD2  TYR  47           HD2      TYR  47   7.216  10.901   7.149
  334    HE1  TYR  47           HE1      TYR  47   2.701  10.279   5.157
  335    HE2  TYR  47           HE2      TYR  47   5.291  12.192   8.033
  336    HH   TYR  47           HH       TYR  47   1.983  11.845   6.678
  337    H    THR  48           H        THR  48   9.481   8.895   6.770
  338    HA   THR  48           HA       THR  48   8.490   9.004   9.561
  339    HB   THR  48           HB       THR  48  10.815   8.342  10.316
  340    HG1  THR  48           HG1      THR  48  12.013   7.122   8.821
  341   HG21  THR  48          HG21      THR  48  10.417   5.942  10.160
  342   HG22  THR  48          HG22      THR  48   8.899   6.806  10.476
  343   HG23  THR  48          HG23      THR  48   9.251   6.192   8.840
  344    H    ARG  49           H        ARG  49  10.200  10.374  10.866
  345    HA   ARG  49           HA       ARG  49  10.283  12.927   9.671
  346    HB2  ARG  49           HB2      ARG  49  11.458  13.621  11.640
  347    HB3  ARG  49           HB3      ARG  49  10.251  12.411  12.085
  348    HG2  ARG  49           HG2      ARG  49  12.049  11.713  13.342
  349    HG3  ARG  49           HG3      ARG  49  12.225  10.699  11.904
  350    HD2  ARG  49           HD2      ARG  49  14.390  11.599  12.542
  351    HD3  ARG  49           HD3      ARG  49  13.903  12.364  11.022
  352    HE   ARG  49           HE       ARG  49  13.048  13.948  13.259
  353   HH11  ARG  49          HH11      ARG  49  15.943  13.071  11.424
  354   HH12  ARG  49          HH12      ARG  49  16.769  14.565  11.794
  355   HH21  ARG  49          HH21      ARG  49  14.152  15.885  13.722
  356   HH22  ARG  49          HH22      ARG  49  15.763  16.151  13.095
  357    H    GLU  50           H        GLU  50  12.621  10.291   9.604
  358    HA   GLU  50           HA       GLU  50  13.823  11.358   7.231
  359    HB2  GLU  50           HB2      GLU  50  15.018  12.738   8.915
  360    HB3  GLU  50           HB3      GLU  50  15.531  11.261   9.762
  361    HG2  GLU  50           HG2      GLU  50  16.794  10.532   7.810
  362    HG3  GLU  50           HG3      GLU  50  16.093  11.841   6.842
  363    H    GLY  51           H        GLY  51  13.524   9.354   6.209
  364    HA2  GLY  51           HA2      GLY  51  15.562   7.414   6.716
  365    HA3  GLY  51           HA3      GLY  51  14.017   6.827   7.364
  366    H    ARG  52           H        ARG  52  12.179   7.740   5.495
  367    HA   ARG  52           HA       ARG  52  13.025   7.193   2.773
  368    HB2  ARG  52           HB2      ARG  52  11.577   5.221   2.463
  369    HB3  ARG  52           HB3      ARG  52  12.905   4.889   3.583
  370    HG2  ARG  52           HG2      ARG  52  11.397   5.170   5.506
  371    HG3  ARG  52           HG3      ARG  52  10.052   5.579   4.412
  372    HD2  ARG  52           HD2      ARG  52  10.231   3.374   3.347
  373    HD3  ARG  52           HD3      ARG  52  11.594   2.955   4.403
  374    HE   ARG  52           HE       ARG  52   9.844   3.427   6.296
  375   HH11  ARG  52          HH11      ARG  52   9.160   1.871   3.186
  376   HH12  ARG  52          HH12      ARG  52   7.809   0.953   3.824
  377   HH21  ARG  52          HH21      ARG  52   8.096   2.173   7.079
  378   HH22  ARG  52          HH22      ARG  52   7.235   1.111   5.988
  379    H    GLN  53           H        GLN  53  11.012   7.201   1.315
  380    HA   GLN  53           HA       GLN  53   8.651   8.494   2.485
  381    HB2  GLN  53           HB2      GLN  53  10.308  10.345   2.121
  382    HB3  GLN  53           HB3      GLN  53  10.406   9.891   0.411
  383    HG2  GLN  53           HG2      GLN  53   8.883  11.798   0.729
  384    HG3  GLN  53           HG3      GLN  53   7.993  10.389   0.140
  385   HE21  GLN  53          HE21      GLN  53   6.108   9.963   1.204
  386   HE22  GLN  53          HE22      GLN  53   5.813  10.316   2.899
  387    H    SER  54           H        SER  54   6.854   8.126   1.270
  388    HA   SER  54           HA       SER  54   5.567   6.974  -0.231
  389    HB2  SER  54           HB2      SER  54   7.104   8.856  -2.049
  390    HB3  SER  54           HB3      SER  54   5.488   8.174  -2.353
  391    HG   SER  54           HG       SER  54   5.363  10.255  -1.426
  392    H    GLY  55           H        GLY  55   7.244   5.044   0.280
  393    HA2  GLY  55           HA2      GLY  55   8.021   3.944  -2.390
  394    HA3  GLY  55           HA3      GLY  55   9.033   3.748  -0.935
  395    H    GLU  56           H        GLU  56   5.948   3.869   0.106
  396    HA   GLU  56           HA       GLU  56   4.975   1.170  -0.379
  397    HB2  GLU  56           HB2      GLU  56   6.694   0.812   1.376
  398    HB3  GLU  56           HB3      GLU  56   5.932   2.073   2.371
  399    HG2  GLU  56           HG2      GLU  56   3.836   0.787   2.354
  400    HG3  GLU  56           HG3      GLU  56   4.600  -0.487   1.387
  401    H    ALA  57           H        ALA  57   2.716   1.073   0.330
  402    HA   ALA  57           HA       ALA  57   1.483   3.551   1.271
  403    HB1  ALA  57           HB1      ALA  57   1.423   2.694  -1.653
  404    HB2  ALA  57           HB2      ALA  57   0.315   3.894  -0.962
  405    HB3  ALA  57           HB3      ALA  57   2.064   4.208  -0.995
  406    H    PHE  58           H        PHE  58  -0.941   3.467   0.708
  407    HA   PHE  58           HA       PHE  58  -2.093   0.747   0.495
  408    HB2  PHE  58           HB2      PHE  58  -2.845   2.811   2.607
  409    HB3  PHE  58           HB3      PHE  58  -3.745   1.358   2.261
  410    HD1  PHE  58           HD1      PHE  58  -0.645   2.677   3.765
  411    HD2  PHE  58           HD2      PHE  58  -3.040  -0.819   3.036
  412    HE1  PHE  58           HE1      PHE  58   0.553   1.487   5.558
  413    HE2  PHE  58           HE2      PHE  58  -1.790  -2.040   4.804
  414    HZ   PHE  58           HZ       PHE  58  -0.003  -0.892   6.074
  415    H    VAL  59           H        VAL  59  -4.369   0.885  -0.179
  416    HA   VAL  59           HA       VAL  59  -5.261   3.537  -1.159
  417    HB   VAL  59           HB       VAL  59  -5.066   1.040  -2.900
  418   HG11  VAL  59          HG11      VAL  59  -7.105   2.359  -3.353
  419   HG12  VAL  59          HG12      VAL  59  -6.129   3.840  -3.483
  420   HG13  VAL  59          HG13      VAL  59  -5.940   2.536  -4.679
  421   HG21  VAL  59          HG21      VAL  59  -3.573   2.453  -4.302
  422   HG22  VAL  59          HG22      VAL  59  -3.635   3.728  -3.062
  423   HG23  VAL  59          HG23      VAL  59  -2.885   2.157  -2.693
  424    H    GLU  60           H        GLU  60  -7.199   3.807  -0.278
  425    HA   GLU  60           HA       GLU  60  -8.843   1.524   0.536
  426    HB2  GLU  60           HB2      GLU  60  -9.374   4.527   0.509
  427    HB3  GLU  60           HB3      GLU  60 -10.390   3.299   1.296
  428    HG2  GLU  60           HG2      GLU  60  -8.486   2.669   2.755
  429    HG3  GLU  60           HG3      GLU  60  -7.491   3.927   1.997
  430    H    LEU  61           H        LEU  61 -10.901   1.003  -0.376
  431    HA   LEU  61           HA       LEU  61 -11.354   2.123  -3.113
  432    HB2  LEU  61           HB2      LEU  61 -11.840  -0.735  -2.299
  433    HB3  LEU  61           HB3      LEU  61 -11.869  -0.067  -3.924
  434    HG   LEU  61           HG       LEU  61  -9.311  -0.048  -2.271
  435   HD11  LEU  61          HD11      LEU  61 -10.184  -2.353  -2.443
  436   HD12  LEU  61          HD12      LEU  61 -10.270  -2.164  -4.211
  437   HD13  LEU  61          HD13      LEU  61  -8.693  -2.118  -3.393
  438   HD21  LEU  61          HD21      LEU  61  -8.286   0.090  -4.512
  439   HD22  LEU  61          HD22      LEU  61  -9.894   0.003  -5.267
  440   HD23  LEU  61          HD23      LEU  61  -9.441   1.421  -4.287
  441    H    GLY  62           H        GLY  62 -13.619   0.896  -3.824
  442    HA2  GLY  62           HA2      GLY  62 -15.551   2.226  -2.026
  443    HA3  GLY  62           HA3      GLY  62 -15.768   1.757  -3.721
  444    H    SER  63           H        SER  63 -14.823  -1.048  -3.367
  445    HA   SER  63           HA       SER  63 -16.848  -2.188  -1.545
  446    HB2  SER  63           HB2      SER  63 -16.953  -2.550  -4.566
  447    HB3  SER  63           HB3      SER  63 -17.927  -3.451  -3.386
  448    HG   SER  63           HG       SER  63 -19.037  -1.655  -4.282
  449    H    GLU  64           H        GLU  64 -16.854  -4.611  -1.671
  450    HA   GLU  64           HA       GLU  64 -14.256  -5.713  -1.407
  451    HB2  GLU  64           HB2      GLU  64 -16.337  -6.630  -0.386
  452    HB3  GLU  64           HB3      GLU  64 -16.935  -7.036  -1.992
  453    HG2  GLU  64           HG2      GLU  64 -16.020  -8.983  -0.854
  454    HG3  GLU  64           HG3      GLU  64 -15.110  -8.608  -2.336
  455    H    ASP  65           H        ASP  65 -16.357  -5.281  -4.246
  456    HA   ASP  65           HA       ASP  65 -15.041  -7.306  -5.795
  457    HB2  ASP  65           HB2      ASP  65 -17.317  -6.372  -6.253
  458    HB3  ASP  65           HB3      ASP  65 -16.574  -4.830  -6.706
  459    H    ASP  66           H        ASP  66 -14.326  -3.925  -5.005
  460    HA   ASP  66           HA       ASP  66 -12.429  -3.523  -7.171
  461    HB2  ASP  66           HB2      ASP  66 -12.952  -2.061  -4.553
  462    HB3  ASP  66           HB3      ASP  66 -11.857  -1.504  -5.819
  463    H    VAL  67           H        VAL  67 -12.262  -4.589  -3.723
  464    HA   VAL  67           HA       VAL  67  -9.370  -4.496  -3.706
  465    HB   VAL  67           HB       VAL  67 -10.235  -4.415  -1.581
  466   HG11  VAL  67          HG11      VAL  67 -12.046  -6.764  -2.120
  467   HG12  VAL  67          HG12      VAL  67 -11.907  -5.863  -0.599
  468   HG13  VAL  67          HG13      VAL  67 -12.528  -5.036  -2.036
  469   HG21  VAL  67          HG21      VAL  67  -9.542  -6.391  -0.390
  470   HG22  VAL  67          HG22      VAL  67  -9.713  -7.392  -1.848
  471   HG23  VAL  67          HG23      VAL  67  -8.433  -6.158  -1.762
  472    H    LYS  68           H        LYS  68 -11.774  -7.073  -4.464
  473    HA   LYS  68           HA       LYS  68  -9.848  -9.129  -4.835
  474    HB2  LYS  68           HB2      LYS  68 -12.562  -8.562  -6.090
  475    HB3  LYS  68           HB3      LYS  68 -11.635 -10.044  -6.399
  476    HG2  LYS  68           HG2      LYS  68 -11.620 -10.599  -4.021
  477    HG3  LYS  68           HG3      LYS  68 -12.455  -9.085  -3.627
  478    HD2  LYS  68           HD2      LYS  68 -14.405  -9.789  -4.967
  479    HD3  LYS  68           HD3      LYS  68 -13.571 -11.298  -5.404
  480    HE2  LYS  68           HE2      LYS  68 -13.448 -11.926  -3.014
  481    HE3  LYS  68           HE3      LYS  68 -14.276 -10.420  -2.575
  482    HZ1  LYS  68           HZ1      LYS  68 -15.404 -12.566  -4.250
  483    HZ2  LYS  68           HZ2      LYS  68 -15.792 -12.267  -2.679
  484    HZ3  LYS  68           HZ3      LYS  68 -16.174 -11.168  -3.842
  485    H    MET  69           H        MET  69 -11.137  -6.655  -7.121
  486    HA   MET  69           HA       MET  69  -9.641  -7.629  -9.367
  487    HB2  MET  69           HB2      MET  69 -11.046  -5.029  -8.708
  488    HB3  MET  69           HB3      MET  69 -10.143  -5.251 -10.216
  489    HG2  MET  69           HG2      MET  69 -11.482  -7.359 -10.616
  490    HG3  MET  69           HG3      MET  69 -12.485  -6.917  -9.236
  491    HE1  MET  69           HE1      MET  69 -12.355  -3.612  -9.790
  492    HE2  MET  69           HE2      MET  69 -13.974  -3.460 -10.510
  493    HE3  MET  69           HE3      MET  69 -13.725  -4.522  -9.103
  494    H    ALA  70           H        ALA  70  -8.783  -5.513  -6.661
  495    HA   ALA  70           HA       ALA  70  -6.476  -4.352  -7.944
  496    HB1  ALA  70           HB1      ALA  70  -7.587  -3.319  -6.016
  497    HB2  ALA  70           HB2      ALA  70  -7.174  -4.726  -5.012
  498    HB3  ALA  70           HB3      ALA  70  -5.886  -3.677  -5.645
  499    H    LEU  71           H        LEU  71  -7.125  -7.383  -6.244
  500    HA   LEU  71           HA       LEU  71  -4.319  -8.022  -5.805
  501    HB2  LEU  71           HB2      LEU  71  -6.878  -9.641  -5.551
  502    HB3  LEU  71           HB3      LEU  71  -5.280 -10.163  -4.975
  503    HG   LEU  71           HG       LEU  71  -6.615  -7.573  -4.084
  504   HD11  LEU  71          HD11      LEU  71  -7.229  -8.725  -2.025
  505   HD12  LEU  71          HD12      LEU  71  -7.986  -9.509  -3.426
  506   HD13  LEU  71          HD13      LEU  71  -6.558 -10.252  -2.663
  507   HD21  LEU  71          HD21      LEU  71  -4.293  -9.151  -2.947
  508   HD22  LEU  71          HD22      LEU  71  -4.197  -7.604  -3.832
  509   HD23  LEU  71          HD23      LEU  71  -5.013  -7.670  -2.258
  510    H    LYS  72           H        LYS  72  -6.513  -8.302  -8.459
  511    HA   LYS  72           HA       LYS  72  -5.384 -10.631  -9.715
  512    HB2  LYS  72           HB2      LYS  72  -6.727  -8.216 -10.976
  513    HB3  LYS  72           HB3      LYS  72  -6.458  -9.785 -11.753
  514    HG2  LYS  72           HG2      LYS  72  -8.224  -9.249  -9.339
  515    HG3  LYS  72           HG3      LYS  72  -8.768  -9.619 -10.979
  516    HD2  LYS  72           HD2      LYS  72  -7.708 -11.864 -10.819
  517    HD3  LYS  72           HD3      LYS  72  -7.150 -11.477  -9.177
  518    HE2  LYS  72           HE2      LYS  72  -9.153 -12.792  -8.994
  519    HE3  LYS  72           HE3      LYS  72  -9.498 -11.136  -8.462
  520    HZ1  LYS  72           HZ1      LYS  72 -10.475 -10.724 -10.624
  521    HZ2  LYS  72           HZ2      LYS  72 -10.138 -12.258 -11.112
  522    HZ3  LYS  72           HZ3      LYS  72 -11.216 -11.999  -9.899
  523    H    LYS  73           H        LYS  73  -3.842  -7.723  -9.062
  524    HA   LYS  73           HA       LYS  73  -1.851  -8.176 -11.223
  525    HB2  LYS  73           HB2      LYS  73  -1.660  -5.723 -11.518
  526    HB3  LYS  73           HB3      LYS  73  -3.211  -6.364 -12.067
  527    HG2  LYS  73           HG2      LYS  73  -2.990  -5.352  -9.242
  528    HG3  LYS  73           HG3      LYS  73  -2.949  -4.179 -10.569
  529    HD2  LYS  73           HD2      LYS  73  -5.133  -6.278 -10.349
  530    HD3  LYS  73           HD3      LYS  73  -5.248  -4.696  -9.591
  531    HE2  LYS  73           HE2      LYS  73  -4.938  -3.603 -11.794
  532    HE3  LYS  73           HE3      LYS  73  -4.798  -5.196 -12.564
  533    HZ1  LYS  73           HZ1      LYS  73  -7.032  -5.675 -11.839
  534    HZ2  LYS  73           HZ2      LYS  73  -7.166  -4.202 -11.127
  535    HZ3  LYS  73           HZ3      LYS  73  -7.014  -4.312 -12.766
  536    H    ASP  74           H        ASP  74  -2.099  -8.903  -8.433
  537    HA   ASP  74           HA       ASP  74  -0.847  -7.324  -6.586
  538    HB2  ASP  74           HB2      ASP  74  -0.513  -9.318  -5.321
  539    HB3  ASP  74           HB3      ASP  74  -2.025  -9.472  -6.226
  540    H    ARG  75           H        ARG  75   0.917  -8.658  -9.294
  541    HA   ARG  75           HA       ARG  75   3.223  -7.262  -8.228
  542    HB2  ARG  75           HB2      ARG  75   4.793  -9.191  -8.503
  543    HB3  ARG  75           HB3      ARG  75   3.749  -9.197  -7.090
  544    HG2  ARG  75           HG2      ARG  75   2.227 -10.810  -8.217
  545    HG3  ARG  75           HG3      ARG  75   3.308 -10.814  -9.642
  546    HD2  ARG  75           HD2      ARG  75   5.181 -11.506  -8.172
  547    HD3  ARG  75           HD3      ARG  75   4.072 -11.512  -6.785
  548    HE   ARG  75           HE       ARG  75   2.965 -13.208  -8.758
  549   HH11  ARG  75          HH11      ARG  75   5.813 -13.061  -6.680
  550   HH12  ARG  75          HH12      ARG  75   5.991 -14.798  -6.586
  551   HH21  ARG  75          HH21      ARG  75   3.216 -15.477  -8.629
  552   HH22  ARG  75          HH22      ARG  75   4.518 -16.164  -7.688
  553    H    GLU  76           H        GLU  76   1.324  -7.573 -10.733
  554    HA   GLU  76           HA       GLU  76   3.336  -7.913 -12.826
  555    HB2  GLU  76           HB2      GLU  76   1.558  -7.304 -14.376
  556    HB3  GLU  76           HB3      GLU  76   1.102  -8.627 -13.297
  557    HG2  GLU  76           HG2      GLU  76  -0.229  -7.136 -11.924
  558    HG3  GLU  76           HG3      GLU  76   0.347  -5.736 -12.812
  559    H    SER  77           H        SER  77   2.488  -5.685 -14.533
  560    HA   SER  77           HA       SER  77   3.950  -3.495 -13.119
  561    HB2  SER  77           HB2      SER  77   5.586  -4.721 -14.378
  562    HB3  SER  77           HB3      SER  77   4.512  -4.831 -15.785
  563    HG   SER  77           HG       SER  77   6.111  -3.208 -16.003
  564    H    MET  78           H        MET  78   3.639  -1.391 -13.937
  565    HA   MET  78           HA       MET  78   1.077  -0.758 -15.075
  566    HB2  MET  78           HB2      MET  78   3.671   0.816 -14.769
  567    HB3  MET  78           HB3      MET  78   2.159   1.524 -15.357
  568    HG2  MET  78           HG2      MET  78   1.042   1.035 -13.263
  569    HG3  MET  78           HG3      MET  78   2.477   0.200 -12.650
  570    HE1  MET  78           HE1      MET  78   2.270   3.445 -10.434
  571    HE2  MET  78           HE2      MET  78   0.834   2.743 -11.199
  572    HE3  MET  78           HE3      MET  78   2.077   1.681 -10.499
  573    H    GLY  79           H        GLY  79   4.060  -1.825 -16.429
  574    HA2  GLY  79           HA2      GLY  79   3.745  -2.462 -18.873
  575    HA3  GLY  79           HA3      GLY  79   3.378  -0.738 -19.116
  576    H    HIS  80           H        HIS  80   5.579  -0.662 -16.667
  577    HA   HIS  80           HA       HIS  80   7.986  -0.981 -18.321
  578    HB2  HIS  80           HB2      HIS  80   7.029   1.256 -18.889
  579    HB3  HIS  80           HB3      HIS  80   7.152   1.714 -17.185
  580    HD1  HIS  80           HD1      HIS  80   9.184   3.328 -17.029
  581    HD2  HIS  80           HD2      HIS  80   9.779   0.032 -19.566
  582    HE1  HIS  80           HE1      HIS  80  11.591   3.483 -17.866
  583    H    ARG  81           H        ARG  81   6.447  -0.904 -15.195
  584    HA   ARG  81           HA       ARG  81   9.005  -1.660 -14.009
  585    HB2  ARG  81           HB2      ARG  81   9.024   0.831 -13.894
  586    HB3  ARG  81           HB3      ARG  81   7.507   0.784 -12.990
  587    HG2  ARG  81           HG2      ARG  81   9.400   1.082 -11.467
  588    HG3  ARG  81           HG3      ARG  81   8.647  -0.494 -11.176
  589    HD2  ARG  81           HD2      ARG  81  10.429  -1.547 -12.608
  590    HD3  ARG  81           HD3      ARG  81  11.187   0.050 -12.756
  591    HE   ARG  81           HE       ARG  81  10.692  -1.099 -10.050
  592   HH11  ARG  81          HH11      ARG  81  12.997  -0.089 -12.543
  593   HH12  ARG  81          HH12      ARG  81  14.372  -0.194 -11.470
  594   HH21  ARG  81          HH21      ARG  81  12.511  -1.275  -8.702
  595   HH22  ARG  81          HH22      ARG  81  14.095  -0.840  -9.298
  596    H    TYR  82           H        TYR  82   8.869  -2.683 -12.085
  597    HA   TYR  82           HA       TYR  82   6.644  -4.389 -11.658
  598    HB2  TYR  82           HB2      TYR  82   9.000  -4.939 -11.453
  599    HB3  TYR  82           HB3      TYR  82   9.228  -3.697 -10.240
  600    HD1  TYR  82           HD1      TYR  82   6.265  -5.882  -9.657
  601    HD2  TYR  82           HD2      TYR  82  10.511  -5.355  -9.120
  602    HE1  TYR  82           HE1      TYR  82   6.250  -7.532  -7.819
  603    HE2  TYR  82           HE2      TYR  82  10.503  -7.004  -7.296
  604    HH   TYR  82           HH       TYR  82   9.221  -8.459  -6.044
  605    H    ILE  83           H        ILE  83   4.966  -4.298 -10.388
  606    HA   ILE  83           HA       ILE  83   4.836  -2.233  -8.249
  607    HB   ILE  83           HB       ILE  83   2.515  -3.346  -9.872
  608   HG12  ILE  83          HG12      ILE  83   3.946  -2.033 -11.377
  609   HG13  ILE  83          HG13      ILE  83   2.387  -1.264 -11.078
  610   HG21  ILE  83          HG21      ILE  83   2.763  -1.084  -7.852
  611   HG22  ILE  83          HG22      ILE  83   1.375  -1.261  -8.949
  612   HG23  ILE  83          HG23      ILE  83   1.723  -2.522  -7.763
  613   HD11  ILE  83          HD11      ILE  83   3.443   0.271  -9.441
  614   HD12  ILE  83          HD12      ILE  83   5.019  -0.490  -9.760
  615   HD13  ILE  83          HD13      ILE  83   4.172   0.390 -11.053
  616    H    GLU  84           H        GLU  84   3.213  -2.944  -6.513
  617    HA   GLU  84           HA       GLU  84   2.795  -5.861  -6.339
  618    HB2  GLU  84           HB2      GLU  84   4.669  -4.222  -4.684
  619    HB3  GLU  84           HB3      GLU  84   3.608  -5.350  -3.806
  620    HG2  GLU  84           HG2      GLU  84   4.370  -7.170  -5.390
  621    HG3  GLU  84           HG3      GLU  84   5.569  -6.023  -6.024
  622    H    VAL  85           H        VAL  85   1.060  -6.430  -5.034
  623    HA   VAL  85           HA       VAL  85  -0.402  -4.300  -3.594
  624    HB   VAL  85           HB       VAL  85  -1.922  -6.168  -5.423
  625   HG11  VAL  85          HG11      VAL  85  -3.170  -4.974  -3.673
  626   HG12  VAL  85          HG12      VAL  85  -2.537  -3.421  -4.270
  627   HG13  VAL  85          HG13      VAL  85  -3.624  -4.394  -5.282
  628   HG21  VAL  85          HG21      VAL  85  -0.875  -3.422  -6.196
  629   HG22  VAL  85          HG22      VAL  85  -0.436  -4.978  -6.953
  630   HG23  VAL  85          HG23      VAL  85  -2.094  -4.363  -7.091
  631    H    PHE  86           H        PHE  86  -1.880  -5.196  -2.022
  632    HA   PHE  86           HA       PHE  86  -2.007  -8.106  -1.698
  633    HB2  PHE  86           HB2      PHE  86   0.202  -7.265  -0.771
  634    HB3  PHE  86           HB3      PHE  86  -0.711  -6.408   0.462
  635    HD1  PHE  86           HD1      PHE  86   0.348  -9.722  -0.825
  636    HD2  PHE  86           HD2      PHE  86  -1.726  -7.620   2.289
  637    HE1  PHE  86           HE1      PHE  86   0.397 -11.758   0.584
  638    HE2  PHE  86           HE2      PHE  86  -1.682  -9.648   3.706
  639    HZ   PHE  86           HZ       PHE  86  -0.619 -11.733   2.849
  640    H    LYS  87           H        LYS  87  -3.543  -8.686   0.047
  641    HA   LYS  87           HA       LYS  87  -5.709  -6.769   0.050
  642    HB2  LYS  87           HB2      LYS  87  -5.851  -9.310  -0.151
  643    HB3  LYS  87           HB3      LYS  87  -5.578  -9.379   1.606
  644    HG2  LYS  87           HG2      LYS  87  -7.555  -7.958   1.959
  645    HG3  LYS  87           HG3      LYS  87  -7.735  -7.748   0.207
  646    HD2  LYS  87           HD2      LYS  87  -8.112 -10.207  -0.021
  647    HD3  LYS  87           HD3      LYS  87  -8.051 -10.355   1.752
  648    HE2  LYS  87           HE2      LYS  87  -9.954  -8.782   1.949
  649    HE3  LYS  87           HE3      LYS  87  -9.983  -8.585   0.186
  650    HZ1  LYS  87           HZ1      LYS  87 -10.477 -10.934   0.008
  651    HZ2  LYS  87           HZ2      LYS  87 -10.502 -11.089   1.650
  652    HZ3  LYS  87           HZ3      LYS  87 -11.623 -10.150   0.888
  653    H    SER  88           H        SER  88  -6.752  -5.901   1.923
  654    HA   SER  88           HA       SER  88  -5.118  -5.826   4.399
  655    HB2  SER  88           HB2      SER  88  -4.418  -3.928   2.946
  656    HB3  SER  88           HB3      SER  88  -6.093  -3.338   2.958
  657    HG   SER  88           HG       SER  88  -4.722  -2.376   4.571
  658    H    HIS  89           H        HIS  89  -6.396  -4.266   5.992
  659    HA   HIS  89           HA       HIS  89  -9.294  -4.812   5.880
  660    HB2  HIS  89           HB2      HIS  89  -9.155  -5.826   8.186
  661    HB3  HIS  89           HB3      HIS  89  -8.462  -6.811   6.889
  662    HD1  HIS  89           HD1      HIS  89  -7.397  -4.947  10.040
  663    HD2  HIS  89           HD2      HIS  89  -5.778  -7.115   6.825
  664    HE1  HIS  89           HE1      HIS  89  -4.957  -5.434  10.637
  665    H    ARG  90           H        ARG  90  -7.011  -2.608   6.141
  666    HA   ARG  90           HA       ARG  90  -7.180  -0.416   6.577
  667    HB2  ARG  90           HB2      ARG  90  -9.688  -0.958   6.251
  668    HB3  ARG  90           HB3      ARG  90  -9.812  -0.791   8.012
  669    HG2  ARG  90           HG2      ARG  90  -8.868   1.505   7.843
  670    HG3  ARG  90           HG3      ARG  90  -8.702   1.294   6.084
  671    HD2  ARG  90           HD2      ARG  90 -11.203   0.830   6.014
  672    HD3  ARG  90           HD3      ARG  90 -11.274   1.356   7.707
  673    HE   ARG  90           HE       ARG  90 -10.080   3.155   5.646
  674   HH11  ARG  90          HH11      ARG  90 -12.711   2.526   7.934
  675   HH12  ARG  90          HH12      ARG  90 -13.335   4.154   7.817
  676   HH21  ARG  90          HH21      ARG  90 -10.904   5.205   5.503
  677   HH22  ARG  90          HH22      ARG  90 -12.305   5.687   6.443
  678    H    THR  91           H        THR  91  -7.702  -2.662   9.275
  679    HA   THR  91           HA       THR  91  -7.082  -0.741  11.339
  680    HB   THR  91           HB       THR  91  -6.719  -3.763  11.329
  681    HG1  THR  91           HG1      THR  91  -8.789  -3.702  12.304
  682   HG21  THR  91          HG21      THR  91  -5.543  -2.665  13.177
  683   HG22  THR  91          HG22      THR  91  -7.006  -1.736  13.585
  684   HG23  THR  91          HG23      THR  91  -6.982  -3.506  13.787
  685    H    GLU  92           H        GLU  92  -5.136  -3.015   9.344
  686    HA   GLU  92           HA       GLU  92  -2.617  -2.365  10.605
  687    HB2  GLU  92           HB2      GLU  92  -3.048  -4.411   9.238
  688    HB3  GLU  92           HB3      GLU  92  -3.227  -3.379   7.794
  689    HG2  GLU  92           HG2      GLU  92  -0.925  -2.543   8.115
  690    HG3  GLU  92           HG3      GLU  92  -0.751  -3.538   9.568
  691    H    MET  93           H        MET  93  -4.493  -1.067   7.854
  692    HA   MET  93           HA       MET  93  -2.474   0.624   6.807
  693    HB2  MET  93           HB2      MET  93  -4.530   0.030   5.632
  694    HB3  MET  93           HB3      MET  93  -5.508   0.891   6.828
  695    HG2  MET  93           HG2      MET  93  -3.353   2.270   5.208
  696    HG3  MET  93           HG3      MET  93  -4.997   2.071   4.603
  697    HE1  MET  93           HE1      MET  93  -6.861   2.501   7.139
  698    HE2  MET  93           HE2      MET  93  -7.188   4.233   6.914
  699    HE3  MET  93           HE3      MET  93  -7.103   3.154   5.502
  700    H    ASP  94           H        ASP  94  -4.892   1.139   9.412
  701    HA   ASP  94           HA       ASP  94  -4.198   3.895   9.864
  702    HB2  ASP  94           HB2      ASP  94  -6.322   2.771  10.521
  703    HB3  ASP  94           HB3      ASP  94  -5.421   1.837  11.718
  704    H    TRP  95           H        TRP  95  -2.866   0.818  10.910
  705    HA   TRP  95           HA       TRP  95  -1.569   1.831  13.290
  706    HB2  TRP  95           HB2      TRP  95  -2.246  -0.512  13.021
  707    HB3  TRP  95           HB3      TRP  95  -1.137  -0.697  11.668
  708    HD1  TRP  95           HD1      TRP  95  -1.033  -0.029  15.463
  709    HE1  TRP  95           HE1      TRP  95   1.168  -0.897  16.415
  710    HE3  TRP  95           HE3      TRP  95   1.207  -1.474  11.099
  711    HZ2  TRP  95           HZ2      TRP  95   3.628  -2.050  15.403
  712    HZ3  TRP  95           HZ3      TRP  95   3.481  -2.433  11.121
  713    HH2  TRP  95           HH2      TRP  95   4.703  -2.732  13.262
  714    H    VAL  96           H        VAL  96  -0.166   0.664  10.135
  715    HA   VAL  96           HA       VAL  96   2.472   1.497  10.938
  716    HB   VAL  96           HB       VAL  96   2.143  -0.370   9.435
  717   HG11  VAL  96          HG11      VAL  96   1.450   0.057   7.092
  718   HG12  VAL  96          HG12      VAL  96   0.151   0.195   8.298
  719   HG13  VAL  96          HG13      VAL  96   0.879   1.667   7.602
  720   HG21  VAL  96          HG21      VAL  96   4.232   0.984   9.235
  721   HG22  VAL  96          HG22      VAL  96   3.764   0.187   7.717
  722   HG23  VAL  96          HG23      VAL  96   3.463   1.923   7.932
  723    H    LEU  97           H        LEU  97  -0.167   3.201   9.300
  724    HA   LEU  97           HA       LEU  97   1.492   5.323   8.286
  725    HB2  LEU  97           HB2      LEU  97  -1.387   4.717   8.636
  726    HB3  LEU  97           HB3      LEU  97  -1.003   6.431   8.783
  727    HG   LEU  97           HG       LEU  97  -1.642   5.977   6.535
  728   HD11  LEU  97          HD11      LEU  97   1.385   6.289   6.554
  729   HD12  LEU  97          HD12      LEU  97   0.249   6.845   5.316
  730   HD13  LEU  97          HD13      LEU  97   0.226   7.590   6.928
  731   HD21  LEU  97          HD21      LEU  97   0.532   3.858   6.504
  732   HD22  LEU  97          HD22      LEU  97  -1.230   3.618   6.331
  733   HD23  LEU  97          HD23      LEU  97  -0.329   4.452   5.065
  734    H    LYS  98           H        LYS  98   0.966   4.370  11.462
  735    HA   LYS  98           HA       LYS  98   1.436   7.111  12.507
  736    HB2  LYS  98           HB2      LYS  98  -0.581   5.076  13.504
  737    HB3  LYS  98           HB3      LYS  98  -0.138   6.580  14.334
  738    HG2  LYS  98           HG2      LYS  98  -0.854   7.883  12.337
  739    HG3  LYS  98           HG3      LYS  98  -1.350   6.373  11.541
  740    HD2  LYS  98           HD2      LYS  98  -2.921   5.912  13.386
  741    HD3  LYS  98           HD3      LYS  98  -2.449   7.444  14.163
  742    HE2  LYS  98           HE2      LYS  98  -3.290   8.726  12.278
  743    HE3  LYS  98           HE3      LYS  98  -3.556   7.248  11.331
  744    HZ1  LYS  98           HZ1      LYS  98  -4.970   7.887  13.829
  745    HZ2  LYS  98           HZ2      LYS  98  -5.580   8.112  12.317
  746    HZ3  LYS  98           HZ3      LYS  98  -5.241   6.594  12.841
  747    H    HIS  99           H        HIS  99   2.737   4.141  12.144
  748    HA   HIS  99           HA       HIS  99   4.271   4.306  14.662
  749    HB2  HIS  99           HB2      HIS  99   2.800   1.809  13.721
  750    HB3  HIS  99           HB3      HIS  99   3.986   1.859  15.029
  751    HD1  HIS  99           HD1      HIS  99   0.368   2.819  14.310
  752    HD2  HIS  99           HD2      HIS  99   3.234   2.961  17.376
  753    HE1  HIS  99           HE1      HIS  99  -0.892   3.395  16.462
  754    H    SER 100           H        SER 100   4.643   4.737  11.665
  755    HA   SER 100           HA       SER 100   6.172   2.649  10.536
  756    HB2  SER 100           HB2      SER 100   6.942   4.443   8.991
  757    HB3  SER 100           HB3      SER 100   5.185   4.517   9.273
  758    HG   SER 100           HG       SER 100   6.366   6.558   9.459
  759    H    GLY 101           H        GLY 101   6.967   4.681  13.123
  760    HA2  GLY 101           HA2      GLY 101   9.530   3.504  13.483
  761    HA3  GLY 101           HA3      GLY 101   9.740   5.121  12.792
  762    HA   PRO 102           HA       PRO 102   9.611   5.204  17.534
  763    HB2  PRO 102           HB2      PRO 102  11.775   7.151  16.726
  764    HB3  PRO 102           HB3      PRO 102  11.692   6.107  18.185
  765    HG2  PRO 102           HG2      PRO 102  13.215   5.358  16.081
  766    HG3  PRO 102           HG3      PRO 102  12.160   4.149  16.892
  767    HD2  PRO 102           HD2      PRO 102  11.665   5.650  14.315
  768    HD3  PRO 102           HD3      PRO 102  11.359   3.927  14.697
  769    H5'    A   1           H5'        A   1  18.380   2.238   3.221
  770   H5''    A   1          H5''        A   1  16.848   1.615   2.569
  771    H4'    A   1           H4'        A   1  19.348  -0.104   2.796
  772    H3'    A   1           H3'        A   1  19.388   2.054   1.196
  773    H2'    A   1           H2'        A   1  17.277   2.025   0.351
  774   HO2'    A   1          HO2'        A   1  18.775   0.351  -1.392
  775    H1'    A   1           H1'        A   1  17.124  -0.854  -0.230
  776    H8     A   1           H8         A   1  15.067  -2.105   0.878
  777    H61    A   1           H61        A   1  10.474   2.051   1.184
  778    H62    A   1           H62        A   1  10.860   0.340   1.247
  779    H2     A   1           H2         A   1  14.303   4.239   0.764
  780   HO5'    A   1          HO5'        A   1  16.991   1.419   4.861
  781    H5'    G   2           H5'        G   2  19.455  -3.109  -1.979
  782   H5''    G   2          H5''        G   2  19.317  -1.383  -2.417
  783    H4'    G   2           H4'        G   2  16.919  -2.819  -1.253
  784    H3'    G   2           H3'        G   2  17.585  -2.668  -4.195
  785    H2'    G   2           H2'        G   2  15.235  -2.930  -4.488
  786   HO2'    G   2          HO2'        G   2  14.847  -4.541  -2.824
  787    H1'    G   2           H1'        G   2  14.813  -1.326  -2.149
  788    H8     G   2           H8         G   2  16.987   0.379  -4.663
  789    H1     G   2           H1         G   2  10.740   0.860  -5.859
  790    H21    G   2           H21        G   2   9.599  -0.533  -4.579
  791    H22    G   2           H22        G   2  10.388  -1.635  -3.473
  792    H5'    G   3           H5'        G   3  14.053  -6.107  -1.774
  793   H5''    G   3          H5''        G   3  14.827  -7.644  -2.210
  794    H4'    G   3           H4'        G   3  12.594  -7.628  -3.144
  795    H3'    G   3           H3'        G   3  14.966  -7.737  -4.865
  796    H2'    G   3           H2'        G   3  14.164  -6.112  -6.263
  797   HO2'    G   3          HO2'        G   3  12.520  -8.351  -6.811
  798    H1'    G   3           H1'        G   3  11.344  -6.702  -5.286
  799    H8     G   3           H8         G   3  13.820  -4.244  -6.850
  800    H1     G   3           H1         G   3   7.652  -2.640  -7.529
  801    H21    G   3           H21        G   3   6.430  -3.703  -6.021
  802    H22    G   3           H22        G   3   7.131  -4.874  -4.926
  803    H5'    G   4           H5'        G   4  14.665  -9.492  -1.367
  804   H5''    G   4          H5''        G   4  14.273 -11.221  -1.487
  805    H4'    G   4           H4'        G   4  13.396 -10.373   0.614
  806    H3'    G   4           H3'        G   4  11.947 -11.736  -1.322
  807    H2'    G   4           H2'        G   4  10.757  -9.971  -2.140
  808   HO2'    G   4          HO2'        G   4   9.251 -10.595   0.194
  809    H1'    G   4           H1'        G   4  10.492  -8.698   0.553
  810    H8     G   4           H8         G   4   9.089  -8.521  -2.501
  811    H1     G   4           H1         G   4  11.628  -2.721  -1.448
  812    H21    G   4           H21        G   4  13.053  -2.827   0.271
  813    H22    G   4           H22        G   4  13.426  -4.344   1.061
  814    H5'    A   5           H5'        A   5   8.623 -12.691   2.701
  815   H5''    A   5          H5''        A   5   8.807 -12.714   0.937
  816    H4'    A   5           H4'        A   5   6.789 -10.999   2.432
  817    H3'    A   5           H3'        A   5   6.527 -13.639   2.529
  818    H2'    A   5           H2'        A   5   7.360 -14.004   0.292
  819   HO2'    A   5          HO2'        A   5   5.569 -14.805  -0.882
  820    H1'    A   5           H1'        A   5   5.314 -12.072  -0.765
  821    H8     A   5           H8         A   5   8.890 -13.366  -1.037
  822    H61    A   5           H61        A   5   8.492 -11.658  -7.004
  823    H62    A   5           H62        A   5   9.462 -12.540  -5.839
  824    H2     A   5           H2         A   5   4.923 -10.125  -4.854
  825    H5'    U   6           H5'        U   6   5.918  -9.358   2.623
  826   H5''    U   6          H5''        U   6   4.593  -8.806   3.665
  827    H4'    U   6           H4'        U   6   4.956  -7.089   2.019
  828    H3'    U   6           H3'        U   6   2.546  -8.817   1.405
  829   HO3'    U   6          HO3'        U   6   2.511  -7.507   3.306
  830    H2'    U   6           H2'        U   6   2.084  -7.425  -0.416
  831   HO2'    U   6          HO2'        U   6   3.168  -5.418  -0.722
  832    H1'    U   6           H1'        U   6   4.656  -7.180  -1.321
  833    H3     U   6           H3         U   6   1.771  -9.577  -4.027
  834    H5     U   6           H5         U   6   3.480 -12.313  -1.331
  835    H6     U   6           H6         U   6   4.439 -10.460  -0.141
  Start of MODEL   16
    1    H    MET   1           H        MET   1 -19.147  -7.932  23.191
    2    HA   MET   1           HA       MET   1 -20.233  -9.848  22.324
    3    HB2  MET   1           HB2      MET   1 -20.072 -10.474  20.022
    4    HB3  MET   1           HB3      MET   1 -20.762  -8.849  20.102
    5    HG2  MET   1           HG2      MET   1 -17.850  -9.510  19.495
    6    HG3  MET   1           HG3      MET   1 -19.081  -9.145  18.292
    7    HE1  MET   1           HE1      MET   1 -16.658  -6.070  18.149
    8    HE2  MET   1           HE2      MET   1 -16.232  -7.762  18.497
    9    HE3  MET   1           HE3      MET   1 -17.423  -7.386  17.230
   10    H    MET   2           H        MET   2 -19.072 -11.890  21.881
   11    HA   MET   2           HA       MET   2 -16.141 -11.712  21.798
   12    HB2  MET   2           HB2      MET   2 -15.893 -13.075  23.872
   13    HB3  MET   2           HB3      MET   2 -16.526 -11.449  24.151
   14    HG2  MET   2           HG2      MET   2 -17.750 -12.960  25.534
   15    HG3  MET   2           HG3      MET   2 -18.830 -12.375  24.272
   16    HE1  MET   2           HE1      MET   2 -20.580 -14.204  24.906
   17    HE2  MET   2           HE2      MET   2 -20.213 -15.939  25.041
   18    HE3  MET   2           HE3      MET   2 -19.497 -14.788  26.191
   19    H    LEU   3           H        LEU   3 -18.952 -13.163  20.771
   20    HA   LEU   3           HA       LEU   3 -18.188 -15.928  20.786
   21    HB2  LEU   3           HB2      LEU   3 -20.512 -15.079  20.585
   22    HB3  LEU   3           HB3      LEU   3 -20.118 -14.374  19.011
   23    HG   LEU   3           HG       LEU   3 -19.684 -16.632  18.096
   24   HD11  LEU   3          HD11      LEU   3 -20.532 -17.583  20.868
   25   HD12  LEU   3          HD12      LEU   3 -20.321 -18.627  19.443
   26   HD13  LEU   3          HD13      LEU   3 -18.922 -17.788  20.136
   27   HD21  LEU   3          HD21      LEU   3 -22.336 -16.394  19.574
   28   HD22  LEU   3          HD22      LEU   3 -21.953 -15.663  17.996
   29   HD23  LEU   3          HD23      LEU   3 -22.013 -17.431  18.165
   30    H    GLY   4           H        GLY   4 -17.313 -13.190  18.777
   31    HA2  GLY   4           HA2      GLY   4 -15.140 -14.274  17.532
   32    HA3  GLY   4           HA3      GLY   4 -16.476 -14.769  16.479
   33    HA   PRO   5           HA       PRO   5 -14.885 -10.480  15.232
   34    HB2  PRO   5           HB2      PRO   5 -15.058 -12.014  12.648
   35    HB3  PRO   5           HB3      PRO   5 -13.859 -10.771  13.139
   36    HG2  PRO   5           HG2      PRO   5 -13.193 -13.395  13.193
   37    HG3  PRO   5           HG3      PRO   5 -12.733 -12.324  14.563
   38    HD2  PRO   5           HD2      PRO   5 -15.071 -14.240  14.385
   39    HD3  PRO   5           HD3      PRO   5 -13.923 -13.981  15.736
   40    H    GLU   6           H        GLU   6 -15.976  -9.052  13.583
   41    HA   GLU   6           HA       GLU   6 -18.758  -9.854  12.933
   42    HB2  GLU   6           HB2      GLU   6 -17.903  -7.367  14.460
   43    HB3  GLU   6           HB3      GLU   6 -19.504  -7.579  13.748
   44    HG2  GLU   6           HG2      GLU   6 -18.278  -9.374  15.879
   45    HG3  GLU   6           HG3      GLU   6 -19.465  -8.097  16.164
   46    H    GLY   7           H        GLY   7 -15.894  -8.945  11.702
   47    HA2  GLY   7           HA2      GLY   7 -16.935  -8.091   9.215
   48    HA3  GLY   7           HA3      GLY   7 -16.413  -6.656  10.110
   49    H    GLY   8           H        GLY   8 -15.089  -7.023   7.841
   50    HA2  GLY   8           HA2      GLY   8 -12.386  -7.151   8.513
   51    HA3  GLY   8           HA3      GLY   8 -12.820  -8.780   7.973
   52    H    GLU   9           H        GLU   9 -11.041  -7.869   6.450
   53    HA   GLU   9           HA       GLU   9 -10.379  -7.482   4.352
   54    HB2  GLU   9           HB2      GLU   9 -13.312  -7.606   3.665
   55    HB3  GLU   9           HB3      GLU   9 -11.976  -7.710   2.509
   56    HG2  GLU   9           HG2      GLU   9 -11.168  -9.765   3.589
   57    HG3  GLU   9           HG3      GLU   9 -12.442  -9.652   4.813
   58    H    GLY  10           H        GLY  10 -12.870  -5.327   5.539
   59    HA2  GLY  10           HA2      GLY  10 -13.120  -3.085   5.484
   60    HA3  GLY  10           HA3      GLY  10 -11.373  -3.026   5.285
   61    H    PHE  11           H        PHE  11 -12.577  -4.564   2.547
   62    HA   PHE  11           HA       PHE  11 -12.240  -3.999   0.404
   63    HB2  PHE  11           HB2      PHE  11 -13.672  -1.417   1.029
   64    HB3  PHE  11           HB3      PHE  11 -13.580  -2.254  -0.513
   65    HD1  PHE  11           HD1      PHE  11 -14.054  -5.102   0.761
   66    HD2  PHE  11           HD2      PHE  11 -16.080  -1.321   1.082
   67    HE1  PHE  11           HE1      PHE  11 -16.169  -6.280   1.289
   68    HE2  PHE  11           HE2      PHE  11 -18.195  -2.503   1.614
   69    HZ   PHE  11           HZ       PHE  11 -18.239  -4.983   1.719
   70    H    VAL  12           H        VAL  12 -10.101  -3.561   2.085
   71    HA   VAL  12           HA       VAL  12  -8.799  -1.168   0.843
   72    HB   VAL  12           HB       VAL  12  -8.247  -2.415   3.573
   73   HG11  VAL  12          HG11      VAL  12  -6.222  -1.442   2.600
   74   HG12  VAL  12          HG12      VAL  12  -7.102   0.059   2.213
   75   HG13  VAL  12          HG13      VAL  12  -6.821  -0.409   3.905
   76   HG21  VAL  12          HG21      VAL  12  -9.029  -0.151   4.410
   77   HG22  VAL  12          HG22      VAL  12  -9.687   0.144   2.787
   78   HG23  VAL  12          HG23      VAL  12 -10.296  -1.206   3.765
   79    H    VAL  13           H        VAL  13  -6.653  -1.432   0.172
   80    HA   VAL  13           HA       VAL  13  -5.476  -4.155   0.406
   81    HB   VAL  13           HB       VAL  13  -4.735  -4.072  -1.933
   82   HG11  VAL  13          HG11      VAL  13  -6.856  -4.673  -2.960
   83   HG12  VAL  13          HG12      VAL  13  -6.791  -5.295  -1.297
   84   HG13  VAL  13          HG13      VAL  13  -7.753  -3.845  -1.668
   85   HG21  VAL  13          HG21      VAL  13  -4.824  -1.639  -2.320
   86   HG22  VAL  13          HG22      VAL  13  -5.784  -2.516  -3.527
   87   HG23  VAL  13          HG23      VAL  13  -6.601  -1.677  -2.190
   88    H    LYS  14           H        LYS  14  -3.160  -4.139  -0.295
   89    HA   LYS  14           HA       LYS  14  -1.820  -1.691   0.745
   90    HB2  LYS  14           HB2      LYS  14  -0.542  -4.388   0.242
   91    HB3  LYS  14           HB3      LYS  14   0.006  -3.092   1.314
   92    HG2  LYS  14           HG2      LYS  14  -2.020  -3.529   2.761
   93    HG3  LYS  14           HG3      LYS  14  -2.419  -4.892   1.697
   94    HD2  LYS  14           HD2      LYS  14  -0.069  -5.792   2.170
   95    HD3  LYS  14           HD3      LYS  14   0.023  -4.582   3.472
   96    HE2  LYS  14           HE2      LYS  14  -2.082  -5.534   4.439
   97    HE3  LYS  14           HE3      LYS  14  -2.106  -6.730   3.128
   98    HZ1  LYS  14           HZ1      LYS  14  -1.148  -7.649   5.093
   99    HZ2  LYS  14           HZ2      LYS  14   0.024  -7.537   3.939
  100    HZ3  LYS  14           HZ3      LYS  14  -0.028  -6.456   5.189
  101    H    LEU  15           H        LEU  15   0.146  -0.977  -0.379
  102    HA   LEU  15           HA       LEU  15   0.508  -1.924  -3.166
  103    HB2  LEU  15           HB2      LEU  15  -1.026   0.210  -2.714
  104    HB3  LEU  15           HB3      LEU  15   0.518   1.012  -2.467
  105    HG   LEU  15           HG       LEU  15  -0.127   1.397  -4.676
  106   HD11  LEU  15          HD11      LEU  15   1.798  -0.932  -4.950
  107   HD12  LEU  15          HD12      LEU  15   1.595   0.432  -6.060
  108   HD13  LEU  15          HD13      LEU  15   2.277   0.714  -4.443
  109   HD21  LEU  15          HD21      LEU  15  -0.761  -0.398  -6.271
  110   HD22  LEU  15          HD22      LEU  15  -0.586  -1.596  -4.967
  111   HD23  LEU  15          HD23      LEU  15  -1.843  -0.345  -4.860
  112    H    ARG  16           H        ARG  16   2.685  -1.932  -3.710
  113    HA   ARG  16           HA       ARG  16   4.678  -0.519  -2.064
  114    HB2  ARG  16           HB2      ARG  16   5.796  -2.540  -1.313
  115    HB3  ARG  16           HB3      ARG  16   4.098  -2.597  -0.793
  116    HG2  ARG  16           HG2      ARG  16   3.757  -3.876  -3.081
  117    HG3  ARG  16           HG3      ARG  16   5.500  -4.176  -2.947
  118    HD2  ARG  16           HD2      ARG  16   3.275  -4.994  -1.048
  119    HD3  ARG  16           HD3      ARG  16   4.335  -6.039  -2.010
  120    HE   ARG  16           HE       ARG  16   5.652  -4.337   0.007
  121   HH11  ARG  16          HH11      ARG  16   4.422  -7.527  -0.890
  122   HH12  ARG  16          HH12      ARG  16   5.281  -8.347   0.395
  123   HH21  ARG  16          HH21      ARG  16   6.690  -5.385   1.681
  124   HH22  ARG  16          HH22      ARG  16   6.566  -7.123   1.882
  125    H    GLY  17           H        GLY  17   6.705  -0.388  -3.183
  126    HA2  GLY  17           HA2      GLY  17   8.026  -1.656  -4.978
  127    HA3  GLY  17           HA3      GLY  17   6.603  -1.391  -5.997
  128    H    LEU  18           H        LEU  18   8.200  -0.392  -7.395
  129    HA   LEU  18           HA       LEU  18   9.215   1.321  -8.408
  130    HB2  LEU  18           HB2      LEU  18   7.412   2.996  -6.622
  131    HB3  LEU  18           HB3      LEU  18   8.325   3.608  -8.003
  132    HG   LEU  18           HG       LEU  18   6.062   1.584  -8.050
  133   HD11  LEU  18          HD11      LEU  18   5.020   3.283  -9.494
  134   HD12  LEU  18          HD12      LEU  18   5.459   3.982  -7.920
  135   HD13  LEU  18          HD13      LEU  18   6.465   4.311  -9.352
  136   HD21  LEU  18          HD21      LEU  18   8.083   2.370 -10.179
  137   HD22  LEU  18          HD22      LEU  18   7.599   0.732  -9.642
  138   HD23  LEU  18          HD23      LEU  18   6.485   1.737 -10.595
  139    HA   PRO  19           HA       PRO  19  12.829   2.364  -6.320
  140    HB2  PRO  19           HB2      PRO  19  13.841   4.415  -7.839
  141    HB3  PRO  19           HB3      PRO  19  13.756   2.711  -8.389
  142    HG2  PRO  19           HG2      PRO  19  11.793   4.948  -8.959
  143    HG3  PRO  19           HG3      PRO  19  12.534   3.800 -10.126
  144    HD2  PRO  19           HD2      PRO  19  10.054   3.376  -9.118
  145    HD3  PRO  19           HD3      PRO  19  11.192   2.011  -9.340
  146    H    TRP  20           H        TRP  20  12.235   3.020  -4.357
  147    HA   TRP  20           HA       TRP  20  11.867   4.300  -2.565
  148    HB2  TRP  20           HB2      TRP  20  13.626   6.169  -4.184
  149    HB3  TRP  20           HB3      TRP  20  13.262   6.392  -2.485
  150    HD1  TRP  20           HD1      TRP  20  16.119   6.354  -3.109
  151    HE1  TRP  20           HE1      TRP  20  17.737   4.542  -2.345
  152    HE3  TRP  20           HE3      TRP  20  12.792   2.482  -2.493
  153    HZ2  TRP  20           HZ2      TRP  20  17.579   1.792  -1.392
  154    HZ3  TRP  20           HZ3      TRP  20  13.577   0.366  -1.513
  155    HH2  TRP  20           HH2      TRP  20  15.940   0.008  -1.015
  156    H    SER  21           H        SER  21   9.995   5.111  -5.124
  157    HA   SER  21           HA       SER  21   8.717   7.242  -3.563
  158    HB2  SER  21           HB2      SER  21   8.805   8.890  -5.401
  159    HB3  SER  21           HB3      SER  21  10.425   8.498  -4.792
  160    HG   SER  21           HG       SER  21  10.657   7.063  -6.548
  161    H    CYS  22           H        CYS  22   6.676   7.854  -4.259
  162    HA   CYS  22           HA       CYS  22   5.374   6.801  -6.602
  163    HB2  CYS  22           HB2      CYS  22   5.452   4.779  -5.079
  164    HB3  CYS  22           HB3      CYS  22   4.532   5.709  -3.879
  165    HG   CYS  22           HG       CYS  22   3.733   4.994  -7.014
  166    H    SER  23           H        SER  23   3.028   7.550  -6.557
  167    HA   SER  23           HA       SER  23   2.406   9.618  -4.535
  168    HB2  SER  23           HB2      SER  23   2.435  10.143  -7.536
  169    HB3  SER  23           HB3      SER  23   1.838  11.254  -6.290
  170    HG   SER  23           HG       SER  23   4.001  11.700  -6.930
  171    H    VAL  24           H        VAL  24   0.098  10.359  -4.778
  172    HA   VAL  24           HA       VAL  24  -1.506   8.018  -4.876
  173    HB   VAL  24           HB       VAL  24  -2.970   9.215  -3.747
  174   HG11  VAL  24          HG11      VAL  24  -2.283  11.364  -2.809
  175   HG12  VAL  24          HG12      VAL  24  -0.903  10.247  -2.852
  176   HG13  VAL  24          HG13      VAL  24  -1.044  11.550  -4.064
  177   HG21  VAL  24          HG21      VAL  24  -3.973  11.320  -4.414
  178   HG22  VAL  24          HG22      VAL  24  -2.885  11.399  -5.827
  179   HG23  VAL  24          HG23      VAL  24  -4.085  10.079  -5.667
  180    H    GLU  25           H        GLU  25  -0.600  10.264  -7.378
  181    HA   GLU  25           HA       GLU  25  -2.920   9.719  -9.063
  182    HB2  GLU  25           HB2      GLU  25  -0.225  11.024  -9.621
  183    HB3  GLU  25           HB3      GLU  25  -1.595  10.958 -10.748
  184    HG2  GLU  25           HG2      GLU  25  -3.002  12.165  -9.077
  185    HG3  GLU  25           HG3      GLU  25  -1.598  12.285  -8.002
  186    H    ASP  26           H        ASP  26   0.238   8.238  -8.497
  187    HA   ASP  26           HA       ASP  26   0.197   6.828 -11.076
  188    HB2  ASP  26           HB2      ASP  26   1.969   6.549  -8.615
  189    HB3  ASP  26           HB3      ASP  26   2.221   5.727 -10.163
  190    H    VAL  27           H        VAL  27  -0.634   6.202  -7.657
  191    HA   VAL  27           HA       VAL  27  -0.950   3.357  -8.058
  192    HB   VAL  27           HB       VAL  27  -0.407   4.340  -5.893
  193   HG11  VAL  27          HG11      VAL  27  -2.049   5.540  -4.561
  194   HG12  VAL  27          HG12      VAL  27  -1.734   6.407  -6.076
  195   HG13  VAL  27          HG13      VAL  27  -3.234   5.466  -5.885
  196   HG21  VAL  27          HG21      VAL  27  -3.149   3.028  -5.809
  197   HG22  VAL  27          HG22      VAL  27  -1.619   2.156  -6.050
  198   HG23  VAL  27          HG23      VAL  27  -1.905   3.041  -4.531
  199    H    GLN  28           H        GLN  28  -3.177   6.192  -8.171
  200    HA   GLN  28           HA       GLN  28  -5.501   4.527  -8.557
  201    HB2  GLN  28           HB2      GLN  28  -6.626   6.610  -9.164
  202    HB3  GLN  28           HB3      GLN  28  -5.643   6.827  -7.705
  203    HG2  GLN  28           HG2      GLN  28  -3.839   7.802  -9.120
  204    HG3  GLN  28           HG3      GLN  28  -4.893   7.682 -10.532
  205   HE21  GLN  28          HE21      GLN  28  -5.251   8.875  -7.104
  206   HE22  GLN  28          HE22      GLN  28  -5.909  10.420  -7.562
  207    H    ASN  29           H        ASN  29  -2.971   5.851 -10.659
  208    HA   ASN  29           HA       ASN  29  -4.294   5.327 -13.163
  209    HB2  ASN  29           HB2      ASN  29  -2.534   6.688 -13.610
  210    HB3  ASN  29           HB3      ASN  29  -1.681   6.199 -12.142
  211   HD21  ASN  29          HD21      ASN  29  -0.332   4.350 -12.119
  212   HD22  ASN  29          HD22      ASN  29   0.342   3.719 -13.603
  213    H    PHE  30           H        PHE  30  -2.563   3.287 -10.847
  214    HA   PHE  30           HA       PHE  30  -2.006   1.233 -12.872
  215    HB2  PHE  30           HB2      PHE  30  -0.341   1.754 -11.240
  216    HB3  PHE  30           HB3      PHE  30  -1.458   1.494  -9.909
  217    HD1  PHE  30           HD1      PHE  30   0.135  -0.291 -12.810
  218    HD2  PHE  30           HD2      PHE  30  -1.534  -0.589  -8.862
  219    HE1  PHE  30           HE1      PHE  30   0.825  -2.671 -12.698
  220    HE2  PHE  30           HE2      PHE  30  -0.894  -2.980  -8.768
  221    HZ   PHE  30           HZ       PHE  30   0.308  -4.019 -10.675
  222    H    LEU  31           H        LEU  31  -4.417   1.953 -10.444
  223    HA   LEU  31           HA       LEU  31  -5.666  -0.731 -10.793
  224    HB2  LEU  31           HB2      LEU  31  -5.905   1.455  -8.717
  225    HB3  LEU  31           HB3      LEU  31  -7.208   0.295  -8.957
  226    HG   LEU  31           HG       LEU  31  -5.865  -1.567  -8.348
  227   HD11  LEU  31          HD11      LEU  31  -3.520   0.356  -8.232
  228   HD12  LEU  31          HD12      LEU  31  -3.514  -1.314  -7.604
  229   HD13  LEU  31          HD13      LEU  31  -3.730  -1.032  -9.338
  230   HD21  LEU  31          HD21      LEU  31  -5.339   0.801  -6.500
  231   HD22  LEU  31          HD22      LEU  31  -6.820  -0.183  -6.532
  232   HD23  LEU  31          HD23      LEU  31  -5.282  -0.916  -6.028
  233    H    SER  32           H        SER  32  -5.818   0.279 -13.057
  234    HA   SER  32           HA       SER  32  -7.424   2.451 -13.731
  235    HB2  SER  32           HB2      SER  32  -6.957  -0.078 -15.347
  236    HB3  SER  32           HB3      SER  32  -7.303   1.548 -15.971
  237    HG   SER  32           HG       SER  32  -5.311   2.222 -15.038
  238    H    ASP  33           H        ASP  33  -8.764  -0.061 -12.084
  239    HA   ASP  33           HA       ASP  33 -11.361   0.259 -13.500
  240    HB2  ASP  33           HB2      ASP  33 -10.286  -2.393 -12.465
  241    HB3  ASP  33           HB3      ASP  33 -11.817  -2.120 -13.303
  242    H    CYS  34           H        CYS  34  -9.791   0.948 -10.764
  243    HA   CYS  34           HA       CYS  34 -11.872  -0.111  -8.903
  244    HB2  CYS  34           HB2      CYS  34  -8.999   0.748  -8.423
  245    HB3  CYS  34           HB3      CYS  34 -10.083   0.093  -7.199
  246    HG   CYS  34           HG       CYS  34 -10.510  -2.195  -8.349
  247    H    THR  35           H        THR  35 -11.793   1.338  -6.806
  248    HA   THR  35           HA       THR  35 -11.680   4.232  -7.457
  249    HB   THR  35           HB       THR  35 -13.960   2.733  -6.102
  250    HG1  THR  35           HG1      THR  35 -14.031   2.697  -8.366
  251   HG21  THR  35          HG21      THR  35 -15.031   4.979  -5.966
  252   HG22  THR  35          HG22      THR  35 -13.580   4.835  -4.956
  253   HG23  THR  35          HG23      THR  35 -13.499   5.712  -6.506
  254    H    ILE  36           H        ILE  36 -10.498   5.217  -6.010
  255    HA   ILE  36           HA       ILE  36  -9.455   3.757  -3.703
  256    HB   ILE  36           HB       ILE  36  -8.731   6.456  -4.917
  257   HG12  ILE  36          HG12      ILE  36  -6.617   4.858  -5.404
  258   HG13  ILE  36          HG13      ILE  36  -7.879   3.616  -5.391
  259   HG21  ILE  36          HG21      ILE  36  -7.483   4.848  -2.682
  260   HG22  ILE  36          HG22      ILE  36  -6.548   6.010  -3.665
  261   HG23  ILE  36          HG23      ILE  36  -7.912   6.577  -2.708
  262   HD11  ILE  36          HD11      ILE  36  -9.103   4.879  -7.157
  263   HD12  ILE  36          HD12      ILE  36  -7.855   6.145  -7.097
  264   HD13  ILE  36          HD13      ILE  36  -7.444   4.511  -7.661
  265    H    HIS  37           H        HIS  37 -12.112   4.190  -3.432
  266    HA   HIS  37           HA       HIS  37 -13.735   4.926  -2.064
  267    HB2  HIS  37           HB2      HIS  37 -11.939   4.177  -0.470
  268    HB3  HIS  37           HB3      HIS  37 -11.533   5.875  -0.244
  269    HD1  HIS  37           HD1      HIS  37 -14.005   3.243   0.831
  270    HD2  HIS  37           HD2      HIS  37 -13.571   7.420   0.924
  271    HE1  HIS  37           HE1      HIS  37 -15.700   4.112   2.536
  272    H    ASP  38           H        ASP  38 -11.431   7.244  -3.147
  273    HA   ASP  38           HA       ASP  38 -13.497   9.307  -3.451
  274    HB2  ASP  38           HB2      ASP  38 -10.963   9.693  -1.807
  275    HB3  ASP  38           HB3      ASP  38 -11.893  11.025  -2.509
  276    H    GLY  39           H        GLY  39 -10.122   8.207  -3.757
  277    HA2  GLY  39           HA2      GLY  39  -9.446   7.843  -6.144
  278    HA3  GLY  39           HA3      GLY  39  -9.923   9.523  -6.424
  279    H    ALA  40           H        ALA  40  -9.007  10.643  -4.099
  280    HA   ALA  40           HA       ALA  40  -6.071  10.264  -4.019
  281    HB1  ALA  40           HB1      ALA  40  -7.525  12.866  -4.647
  282    HB2  ALA  40           HB2      ALA  40  -5.771  12.707  -4.394
  283    HB3  ALA  40           HB3      ALA  40  -6.543  11.925  -5.798
  284    H    ALA  41           H        ALA  41  -8.739  10.157  -2.327
  285    HA   ALA  41           HA       ALA  41  -7.583  11.566   0.025
  286    HB1  ALA  41           HB1      ALA  41 -10.533  11.406  -0.676
  287    HB2  ALA  41           HB2      ALA  41  -9.827  12.188   0.749
  288    HB3  ALA  41           HB3      ALA  41  -9.499  12.835  -0.873
  289    H    GLY  42           H        GLY  42  -7.631   8.702  -1.098
  290    HA2  GLY  42           HA2      GLY  42  -8.288   7.419   1.508
  291    HA3  GLY  42           HA3      GLY  42  -8.793   6.682  -0.029
  292    H    VAL  43           H        VAL  43  -5.899   8.329  -0.530
  293    HA   VAL  43           HA       VAL  43  -4.338   5.895  -0.728
  294    HB   VAL  43           HB       VAL  43  -4.244   8.069  -2.202
  295   HG11  VAL  43          HG11      VAL  43  -3.994   9.614  -0.253
  296   HG12  VAL  43          HG12      VAL  43  -2.386   8.915   0.059
  297   HG13  VAL  43          HG13      VAL  43  -2.701   9.774  -1.455
  298   HG21  VAL  43          HG21      VAL  43  -1.877   7.691  -2.674
  299   HG22  VAL  43          HG22      VAL  43  -1.677   6.822  -1.141
  300   HG23  VAL  43          HG23      VAL  43  -2.719   6.149  -2.418
  301    H    HIS  44           H        HIS  44  -2.235   5.594   0.385
  302    HA   HIS  44           HA       HIS  44  -1.630   7.285   2.713
  303    HB2  HIS  44           HB2      HIS  44  -2.464   4.379   2.900
  304    HB3  HIS  44           HB3      HIS  44  -1.361   5.099   4.072
  305    HD1  HIS  44           HD1      HIS  44  -2.426   7.283   5.475
  306    HD2  HIS  44           HD2      HIS  44  -5.023   4.727   3.386
  307    HE1  HIS  44           HE1      HIS  44  -4.747   7.656   6.453
  308    H    PHE  45           H        PHE  45   0.509   6.950   3.497
  309    HA   PHE  45           HA       PHE  45   2.213   4.916   2.238
  310    HB2  PHE  45           HB2      PHE  45   2.906   7.878   2.181
  311    HB3  PHE  45           HB3      PHE  45   3.915   6.548   1.634
  312    HD1  PHE  45           HD1      PHE  45   3.487   5.425  -0.494
  313    HD2  PHE  45           HD2      PHE  45   0.988   8.650   0.856
  314    HE1  PHE  45           HE1      PHE  45   2.457   5.572  -2.750
  315    HE2  PHE  45           HE2      PHE  45  -0.022   8.810  -1.400
  316    HZ   PHE  45           HZ       PHE  45   0.684   7.248  -3.199
  317    H    ILE  46           H        ILE  46   4.407   4.900   3.467
  318    HA   ILE  46           HA       ILE  46   3.794   5.577   6.293
  319    HB   ILE  46           HB       ILE  46   5.968   3.654   5.651
  320   HG12  ILE  46          HG12      ILE  46   4.243   2.812   4.148
  321   HG13  ILE  46          HG13      ILE  46   4.500   1.740   5.518
  322   HG21  ILE  46          HG21      ILE  46   5.436   4.396   7.919
  323   HG22  ILE  46          HG22      ILE  46   3.768   3.823   7.742
  324   HG23  ILE  46          HG23      ILE  46   5.115   2.655   7.741
  325   HD11  ILE  46          HD11      ILE  46   2.146   1.987   4.835
  326   HD12  ILE  46          HD12      ILE  46   2.414   2.478   6.529
  327   HD13  ILE  46          HD13      ILE  46   2.198   3.708   5.256
  328    H    TYR  47           H        TYR  47   5.163   7.025   4.000
  329    HA   TYR  47           HA       TYR  47   7.245   8.486   5.383
  330    HB2  TYR  47           HB2      TYR  47   9.093   7.829   4.051
  331    HB3  TYR  47           HB3      TYR  47   8.438   6.373   4.784
  332    HD1  TYR  47           HD1      TYR  47   6.035   6.453   2.492
  333    HD2  TYR  47           HD2      TYR  47  10.341   6.313   2.570
  334    HE1  TYR  47           HE1      TYR  47   6.027   5.553   0.218
  335    HE2  TYR  47           HE2      TYR  47  10.339   5.356   0.282
  336    HH   TYR  47           HH       TYR  47   7.310   4.742  -1.528
  337    H    THR  48           H        THR  48   8.232  10.093   3.613
  338    HA   THR  48           HA       THR  48   6.386  10.456   1.333
  339    HB   THR  48           HB       THR  48   6.034  12.860   1.934
  340    HG1  THR  48           HG1      THR  48   6.469  13.429   4.111
  341   HG21  THR  48          HG21      THR  48   5.056  10.964   4.093
  342   HG22  THR  48          HG22      THR  48   4.317  12.509   3.601
  343   HG23  THR  48          HG23      THR  48   4.333  11.135   2.470
  344    H    ARG  49           H        ARG  49   7.069  12.495   0.060
  345    HA   ARG  49           HA       ARG  49   9.728  12.146  -0.802
  346    HB2  ARG  49           HB2      ARG  49   9.276  13.990  -2.281
  347    HB3  ARG  49           HB3      ARG  49   7.831  12.986  -2.119
  348    HG2  ARG  49           HG2      ARG  49   6.946  15.117  -2.019
  349    HG3  ARG  49           HG3      ARG  49   7.072  14.690  -0.310
  350    HD2  ARG  49           HD2      ARG  49   7.838  16.985  -0.671
  351    HD3  ARG  49           HD3      ARG  49   9.208  15.989  -0.182
  352    HE   ARG  49           HE       ARG  49  10.171  16.242  -2.283
  353   HH11  ARG  49          HH11      ARG  49   6.873  17.521  -2.326
  354   HH12  ARG  49          HH12      ARG  49   7.070  18.295  -3.880
  355   HH21  ARG  49          HH21      ARG  49  10.400  17.269  -4.301
  356   HH22  ARG  49          HH22      ARG  49   9.061  18.156  -4.991
  357    H    GLU  50           H        GLU  50   8.467  14.103   1.809
  358    HA   GLU  50           HA       GLU  50  10.534  15.948   2.169
  359    HB2  GLU  50           HB2      GLU  50   8.450  15.949   3.413
  360    HB3  GLU  50           HB3      GLU  50   8.866  14.410   4.198
  361    HG2  GLU  50           HG2      GLU  50  10.692  15.404   5.393
  362    HG3  GLU  50           HG3      GLU  50  10.605  16.879   4.416
  363    H    GLY  51           H        GLY  51  10.702  12.424   2.650
  364    HA2  GLY  51           HA2      GLY  51  13.551  12.675   3.099
  365    HA3  GLY  51           HA3      GLY  51  12.702  12.292   4.595
  366    H    ARG  52           H        ARG  52  10.741  10.570   2.706
  367    HA   ARG  52           HA       ARG  52  10.555   8.377   2.264
  368    HB2  ARG  52           HB2      ARG  52  13.258   8.875   0.975
  369    HB3  ARG  52           HB3      ARG  52  12.239   7.462   0.679
  370    HG2  ARG  52           HG2      ARG  52  11.470  10.340   0.066
  371    HG3  ARG  52           HG3      ARG  52  12.004   9.113  -1.102
  372    HD2  ARG  52           HD2      ARG  52  10.071   7.693  -0.489
  373    HD3  ARG  52           HD3      ARG  52   9.505   8.950   0.629
  374    HE   ARG  52           HE       ARG  52   9.896  10.003  -2.028
  375   HH11  ARG  52          HH11      ARG  52   7.672   8.078  -0.068
  376   HH12  ARG  52          HH12      ARG  52   6.271   8.514  -1.015
  377   HH21  ARG  52          HH21      ARG  52   8.044  10.549  -3.257
  378   HH22  ARG  52          HH22      ARG  52   6.483   9.894  -2.822
  379    H    GLN  53           H        GLN  53  11.003   8.426   4.798
  380    HA   GLN  53           HA       GLN  53  13.393   7.463   5.833
  381    HB2  GLN  53           HB2      GLN  53  10.573   6.901   6.843
  382    HB3  GLN  53           HB3      GLN  53  12.061   6.650   7.764
  383    HG2  GLN  53           HG2      GLN  53  11.145   8.741   8.479
  384    HG3  GLN  53           HG3      GLN  53  12.584   9.093   7.513
  385   HE21  GLN  53          HE21      GLN  53  12.093  11.094   6.637
  386   HE22  GLN  53          HE22      GLN  53  10.682  11.379   5.636
  387    H    SER  54           H        SER  54  10.775   5.773   4.312
  388    HA   SER  54           HA       SER  54  11.408   3.792   2.973
  389    HB2  SER  54           HB2      SER  54  13.345   3.081   4.302
  390    HB3  SER  54           HB3      SER  54  12.280   2.734   5.690
  391    HG   SER  54           HG       SER  54  12.730   0.872   4.461
  392    H    GLY  55           H        GLY  55   9.702   2.263   2.668
  393    HA2  GLY  55           HA2      GLY  55   7.923   1.272   4.493
  394    HA3  GLY  55           HA3      GLY  55   7.339   2.919   4.218
  395    H    GLU  56           H        GLU  56   5.466   1.780   3.509
  396    HA   GLU  56           HA       GLU  56   5.482   1.191   0.612
  397    HB2  GLU  56           HB2      GLU  56   4.321  -0.535   2.822
  398    HB3  GLU  56           HB3      GLU  56   3.845  -0.686   1.114
  399    HG2  GLU  56           HG2      GLU  56   6.150  -1.122   0.450
  400    HG3  GLU  56           HG3      GLU  56   6.708  -0.910   2.108
  401    H    ALA  57           H        ALA  57   2.586   0.492   0.815
  402    HA   ALA  57           HA       ALA  57   1.388   3.024   1.726
  403    HB1  ALA  57           HB1      ALA  57   1.591   2.138  -1.176
  404    HB2  ALA  57           HB2      ALA  57   0.470   3.395  -0.611
  405    HB3  ALA  57           HB3      ALA  57   2.228   3.626  -0.463
  406    H    PHE  58           H        PHE  58  -0.987   3.032   1.161
  407    HA   PHE  58           HA       PHE  58  -2.203   0.341   0.904
  408    HB2  PHE  58           HB2      PHE  58  -2.843   2.349   3.095
  409    HB3  PHE  58           HB3      PHE  58  -3.782   0.912   2.730
  410    HD1  PHE  58           HD1      PHE  58  -0.624   2.162   4.205
  411    HD2  PHE  58           HD2      PHE  58  -3.026  -1.308   3.365
  412    HE1  PHE  58           HE1      PHE  58   0.577   0.911   5.953
  413    HE2  PHE  58           HE2      PHE  58  -1.743  -2.600   5.058
  414    HZ   PHE  58           HZ       PHE  58   0.046  -1.491   6.367
  415    H    VAL  59           H        VAL  59  -4.535   0.541   0.421
  416    HA   VAL  59           HA       VAL  59  -5.371   3.156  -0.685
  417    HB   VAL  59           HB       VAL  59  -5.310   0.584  -2.317
  418   HG11  VAL  59          HG11      VAL  59  -7.181   2.171  -2.826
  419   HG12  VAL  59          HG12      VAL  59  -5.968   3.442  -3.116
  420   HG13  VAL  59          HG13      VAL  59  -6.026   2.011  -4.166
  421   HG21  VAL  59          HG21      VAL  59  -3.028   1.459  -2.102
  422   HG22  VAL  59          HG22      VAL  59  -3.652   1.756  -3.735
  423   HG23  VAL  59          HG23      VAL  59  -3.593   3.087  -2.554
  424    H    GLU  60           H        GLU  60  -7.159   3.359   0.645
  425    HA   GLU  60           HA       GLU  60  -8.944   1.136   1.173
  426    HB2  GLU  60           HB2      GLU  60  -9.421   4.149   1.321
  427    HB3  GLU  60           HB3      GLU  60 -10.474   2.892   1.996
  428    HG2  GLU  60           HG2      GLU  60  -8.572   2.127   3.438
  429    HG3  GLU  60           HG3      GLU  60  -7.611   3.494   2.838
  430    H    LEU  61           H        LEU  61 -10.994   0.680   0.151
  431    HA   LEU  61           HA       LEU  61 -11.370   2.165  -2.413
  432    HB2  LEU  61           HB2      LEU  61 -11.987  -0.758  -2.038
  433    HB3  LEU  61           HB3      LEU  61 -11.941   0.148  -3.541
  434    HG   LEU  61           HG       LEU  61  -9.429  -0.177  -1.852
  435   HD11  LEU  61          HD11      LEU  61 -10.380  -1.945  -4.113
  436   HD12  LEU  61          HD12      LEU  61  -8.842  -2.081  -3.229
  437   HD13  LEU  61          HD13      LEU  61 -10.383  -2.397  -2.390
  438   HD21  LEU  61          HD21      LEU  61  -9.432   1.560  -3.642
  439   HD22  LEU  61          HD22      LEU  61  -8.339   0.215  -4.036
  440   HD23  LEU  61          HD23      LEU  61  -9.932   0.320  -4.820
  441    H    GLY  62           H        GLY  62 -13.659   1.184  -3.327
  442    HA2  GLY  62           HA2      GLY  62 -15.556   2.399  -1.424
  443    HA3  GLY  62           HA3      GLY  62 -15.768   2.110  -3.159
  444    H    SER  63           H        SER  63 -14.994  -0.749  -3.096
  445    HA   SER  63           HA       SER  63 -17.087  -1.974  -1.413
  446    HB2  SER  63           HB2      SER  63 -17.196  -1.999  -4.458
  447    HB3  SER  63           HB3      SER  63 -18.219  -2.969  -3.380
  448    HG   SER  63           HG       SER  63 -19.229  -1.027  -4.075
  449    H    GLU  64           H        GLU  64 -17.231  -4.362  -1.839
  450    HA   GLU  64           HA       GLU  64 -14.712  -5.643  -1.649
  451    HB2  GLU  64           HB2      GLU  64 -16.819  -6.560  -0.766
  452    HB3  GLU  64           HB3      GLU  64 -17.481  -6.682  -2.398
  453    HG2  GLU  64           HG2      GLU  64 -15.742  -8.307  -3.014
  454    HG3  GLU  64           HG3      GLU  64 -15.023  -8.168  -1.392
  455    H    ASP  65           H        ASP  65 -16.692  -4.786  -4.481
  456    HA   ASP  65           HA       ASP  65 -15.400  -6.684  -6.214
  457    HB2  ASP  65           HB2      ASP  65 -17.634  -5.620  -6.617
  458    HB3  ASP  65           HB3      ASP  65 -16.823  -4.070  -6.887
  459    H    ASP  66           H        ASP  66 -14.614  -3.413  -5.073
  460    HA   ASP  66           HA       ASP  66 -12.637  -2.863  -7.126
  461    HB2  ASP  66           HB2      ASP  66 -13.176  -1.681  -4.374
  462    HB3  ASP  66           HB3      ASP  66 -12.012  -1.038  -5.536
  463    H    VAL  67           H        VAL  67 -12.575  -4.274  -3.798
  464    HA   VAL  67           HA       VAL  67  -9.687  -4.278  -3.698
  465    HB   VAL  67           HB       VAL  67 -10.656  -4.388  -1.607
  466   HG11  VAL  67          HG11      VAL  67 -12.439  -6.667  -2.454
  467   HG12  VAL  67          HG12      VAL  67 -12.352  -5.926  -0.843
  468   HG13  VAL  67          HG13      VAL  67 -12.925  -4.957  -2.208
  469   HG21  VAL  67          HG21      VAL  67  -8.835  -6.106  -1.893
  470   HG22  VAL  67          HG22      VAL  67 -10.001  -6.490  -0.605
  471   HG23  VAL  67          HG23      VAL  67 -10.103  -7.323  -2.167
  472    H    LYS  68           H        LYS  68 -12.131  -6.685  -4.790
  473    HA   LYS  68           HA       LYS  68 -10.247  -8.748  -5.314
  474    HB2  LYS  68           HB2      LYS  68 -12.919  -7.986  -6.553
  475    HB3  LYS  68           HB3      LYS  68 -12.025  -9.452  -7.001
  476    HG2  LYS  68           HG2      LYS  68 -12.077 -10.261  -4.702
  477    HG3  LYS  68           HG3      LYS  68 -12.856  -8.766  -4.152
  478    HD2  LYS  68           HD2      LYS  68 -14.812  -9.251  -5.597
  479    HD3  LYS  68           HD3      LYS  68 -14.027 -10.747  -6.158
  480    HE2  LYS  68           HE2      LYS  68 -13.980 -11.595  -3.835
  481    HE3  LYS  68           HE3      LYS  68 -14.749 -10.098  -3.270
  482    HZ1  LYS  68           HZ1      LYS  68 -16.655 -10.639  -4.609
  483    HZ2  LYS  68           HZ2      LYS  68 -15.944 -12.022  -5.156
  484    HZ3  LYS  68           HZ3      LYS  68 -16.337 -11.866  -3.565
  485    H    MET  69           H        MET  69 -11.407  -6.011  -7.358
  486    HA   MET  69           HA       MET  69  -9.956  -6.839  -9.684
  487    HB2  MET  69           HB2      MET  69 -11.243  -4.252  -8.784
  488    HB3  MET  69           HB3      MET  69 -10.333  -4.358 -10.298
  489    HG2  MET  69           HG2      MET  69 -11.738  -6.358 -10.929
  490    HG3  MET  69           HG3      MET  69 -12.751  -6.025  -9.521
  491    HE1  MET  69           HE1      MET  69 -14.175  -2.450 -10.446
  492    HE2  MET  69           HE2      MET  69 -14.023  -3.692  -9.185
  493    HE3  MET  69           HE3      MET  69 -12.606  -2.718  -9.654
  494    H    ALA  70           H        ALA  70  -8.997  -4.922  -6.838
  495    HA   ALA  70           HA       ALA  70  -6.616  -3.850  -8.079
  496    HB1  ALA  70           HB1      ALA  70  -7.692  -2.831  -6.108
  497    HB2  ALA  70           HB2      ALA  70  -7.341  -4.292  -5.155
  498    HB3  ALA  70           HB3      ALA  70  -6.007  -3.279  -5.759
  499    H    LEU  71           H        LEU  71  -7.441  -6.894  -6.464
  500    HA   LEU  71           HA       LEU  71  -4.672  -7.707  -6.085
  501    HB2  LEU  71           HB2      LEU  71  -7.312  -9.198  -5.892
  502    HB3  LEU  71           HB3      LEU  71  -5.740  -9.837  -5.371
  503    HG   LEU  71           HG       LEU  71  -6.954  -7.257  -4.295
  504   HD11  LEU  71          HD11      LEU  71  -6.954 -10.045  -3.092
  505   HD12  LEU  71          HD12      LEU  71  -7.520  -8.559  -2.286
  506   HD13  LEU  71          HD13      LEU  71  -8.378  -9.169  -3.720
  507   HD21  LEU  71          HD21      LEU  71  -4.538  -7.362  -4.091
  508   HD22  LEU  71          HD22      LEU  71  -5.324  -7.521  -2.509
  509   HD23  LEU  71          HD23      LEU  71  -4.651  -8.963  -3.316
  510    H    LYS  72           H        LYS  72  -6.886  -7.717  -8.742
  511    HA   LYS  72           HA       LYS  72  -5.892 -10.053 -10.097
  512    HB2  LYS  72           HB2      LYS  72  -7.111  -7.526 -11.262
  513    HB3  LYS  72           HB3      LYS  72  -6.902  -9.068 -12.106
  514    HG2  LYS  72           HG2      LYS  72  -8.694  -8.529  -9.722
  515    HG3  LYS  72           HG3      LYS  72  -9.205  -8.870 -11.379
  516    HD2  LYS  72           HD2      LYS  72  -8.239 -11.153 -11.207
  517    HD3  LYS  72           HD3      LYS  72  -7.700 -10.798  -9.551
  518    HE2  LYS  72           HE2      LYS  72  -9.750 -12.038  -9.414
  519    HE3  LYS  72           HE3      LYS  72 -10.047 -10.374  -8.879
  520    HZ1  LYS  72           HZ1      LYS  72 -10.965  -9.915 -11.057
  521    HZ2  LYS  72           HZ2      LYS  72 -10.673 -11.458 -11.551
  522    HZ3  LYS  72           HZ3      LYS  72 -11.767 -11.170 -10.359
  523    H    LYS  73           H        LYS  73  -4.226  -7.159  -9.412
  524    HA   LYS  73           HA       LYS  73  -2.310  -7.805 -11.572
  525    HB2  LYS  73           HB2      LYS  73  -1.923  -5.447 -12.013
  526    HB3  LYS  73           HB3      LYS  73  -3.623  -5.831 -12.301
  527    HG2  LYS  73           HG2      LYS  73  -2.780  -4.815  -9.578
  528    HG3  LYS  73           HG3      LYS  73  -2.811  -3.695 -10.937
  529    HD2  LYS  73           HD2      LYS  73  -5.191  -5.391 -10.102
  530    HD3  LYS  73           HD3      LYS  73  -4.915  -3.724  -9.591
  531    HE2  LYS  73           HE2      LYS  73  -4.879  -3.004 -11.976
  532    HE3  LYS  73           HE3      LYS  73  -5.191  -4.674 -12.476
  533    HZ1  LYS  73           HZ1      LYS  73  -6.985  -3.004 -10.848
  534    HZ2  LYS  73           HZ2      LYS  73  -7.210  -3.426 -12.424
  535    HZ3  LYS  73           HZ3      LYS  73  -7.262  -4.574 -11.243
  536    H    ASP  74           H        ASP  74  -2.508  -8.513  -8.822
  537    HA   ASP  74           HA       ASP  74  -1.124  -7.125  -6.942
  538    HB2  ASP  74           HB2      ASP  74  -0.817  -9.214  -5.837
  539    HB3  ASP  74           HB3      ASP  74  -2.375  -9.239  -6.672
  540    H    ARG  75           H        ARG  75   0.546  -8.199  -9.812
  541    HA   ARG  75           HA       ARG  75   3.037  -7.378  -8.498
  542    HB2  ARG  75           HB2      ARG  75   2.612  -9.951  -8.293
  543    HB3  ARG  75           HB3      ARG  75   3.032  -9.960 -10.030
  544    HG2  ARG  75           HG2      ARG  75   5.190  -8.796  -9.358
  545    HG3  ARG  75           HG3      ARG  75   4.713  -9.117  -7.662
  546    HD2  ARG  75           HD2      ARG  75   4.585 -11.501  -8.099
  547    HD3  ARG  75           HD3      ARG  75   4.852 -11.227  -9.828
  548    HE   ARG  75           HE       ARG  75   6.854 -11.295  -7.690
  549   HH11  ARG  75          HH11      ARG  75   6.168 -10.122 -10.957
  550   HH12  ARG  75          HH12      ARG  75   7.856 -10.000 -11.393
  551   HH21  ARG  75          HH21      ARG  75   9.045 -11.126  -8.290
  552   HH22  ARG  75          HH22      ARG  75   9.477 -10.561  -9.886
  553    H    GLU  76           H        GLU  76   1.099  -6.587 -10.826
  554    HA   GLU  76           HA       GLU  76   2.585  -7.047 -13.255
  555    HB2  GLU  76           HB2      GLU  76   0.461  -4.953 -12.721
  556    HB3  GLU  76           HB3      GLU  76   1.027  -5.532 -14.298
  557    HG2  GLU  76           HG2      GLU  76  -0.493  -7.042 -12.195
  558    HG3  GLU  76           HG3      GLU  76  -1.015  -6.652 -13.838
  559    H    SER  77           H        SER  77   2.415  -4.532 -14.455
  560    HA   SER  77           HA       SER  77   4.405  -2.828 -13.065
  561    HB2  SER  77           HB2      SER  77   5.782  -4.367 -14.323
  562    HB3  SER  77           HB3      SER  77   4.752  -4.198 -15.759
  563    HG   SER  77           HG       SER  77   6.657  -2.933 -15.874
  564    H    MET  78           H        MET  78   4.393  -0.673 -13.774
  565    HA   MET  78           HA       MET  78   1.992   0.254 -15.109
  566    HB2  MET  78           HB2      MET  78   4.574   1.634 -14.251
  567    HB3  MET  78           HB3      MET  78   3.172   2.484 -14.935
  568    HG2  MET  78           HG2      MET  78   1.749   1.683 -13.120
  569    HG3  MET  78           HG3      MET  78   3.091   0.755 -12.440
  570    HE1  MET  78           HE1      MET  78   1.188   2.956 -10.906
  571    HE2  MET  78           HE2      MET  78   2.357   1.831 -10.178
  572    HE3  MET  78           HE3      MET  78   2.441   3.569  -9.805
  573    H    GLY  79           H        GLY  79   4.954  -1.014 -16.215
  574    HA2  GLY  79           HA2      GLY  79   4.684  -1.319 -18.774
  575    HA3  GLY  79           HA3      GLY  79   4.815   0.453 -18.790
  576    H    HIS  80           H        HIS  80   6.726  -0.114 -16.259
  577    HA   HIS  80           HA       HIS  80   9.089  -1.109 -17.686
  578    HB2  HIS  80           HB2      HIS  80   8.712   1.312 -18.349
  579    HB3  HIS  80           HB3      HIS  80   9.031   1.748 -16.668
  580    HD1  HIS  80           HD1      HIS  80  10.817   0.589 -19.837
  581    HD2  HIS  80           HD2      HIS  80  11.593   1.447 -15.802
  582    HE1  HIS  80           HE1      HIS  80  13.354   0.757 -19.608
  583    H    ARG  81           H        ARG  81   7.335  -0.775 -14.774
  584    HA   ARG  81           HA       ARG  81   9.685  -1.757 -13.312
  585    HB2  ARG  81           HB2      ARG  81   9.774   0.738 -13.133
  586    HB3  ARG  81           HB3      ARG  81   8.169   0.713 -12.388
  587    HG2  ARG  81           HG2      ARG  81   9.897   0.889 -10.674
  588    HG3  ARG  81           HG3      ARG  81   9.075  -0.670 -10.520
  589    HD2  ARG  81           HD2      ARG  81  10.956  -1.755 -11.748
  590    HD3  ARG  81           HD3      ARG  81  11.766  -0.178 -11.861
  591    HE   ARG  81           HE       ARG  81  11.090  -0.855  -9.128
  592   HH11  ARG  81          HH11      ARG  81  13.422  -1.516 -11.703
  593   HH12  ARG  81          HH12      ARG  81  14.709  -1.920 -10.592
  594   HH21  ARG  81          HH21      ARG  81  12.792  -1.348  -7.703
  595   HH22  ARG  81          HH22      ARG  81  14.345  -1.846  -8.330
  596    H    TYR  82           H        TYR  82   9.272  -2.902 -11.543
  597    HA   TYR  82           HA       TYR  82   6.884  -4.422 -11.382
  598    HB2  TYR  82           HB2      TYR  82   9.129  -5.220 -11.057
  599    HB3  TYR  82           HB3      TYR  82   9.432  -4.030  -9.818
  600    HD1  TYR  82           HD1      TYR  82   6.344  -6.259  -9.505
  601    HD2  TYR  82           HD2      TYR  82  10.496  -5.523  -8.513
  602    HE1  TYR  82           HE1      TYR  82   6.239  -7.890  -7.659
  603    HE2  TYR  82           HE2      TYR  82  10.372  -7.202  -6.714
  604    HH   TYR  82           HH       TYR  82   7.336  -8.971  -5.977
  605    H    ILE  83           H        ILE  83   5.088  -4.083 -10.418
  606    HA   ILE  83           HA       ILE  83   4.936  -2.277  -8.057
  607    HB   ILE  83           HB       ILE  83   2.689  -2.947  -9.993
  608   HG12  ILE  83          HG12      ILE  83   4.380  -1.693 -11.256
  609   HG13  ILE  83          HG13      ILE  83   2.877  -0.797 -11.025
  610   HG21  ILE  83          HG21      ILE  83   1.687  -0.854  -8.964
  611   HG22  ILE  83          HG22      ILE  83   1.844  -2.220  -7.855
  612   HG23  ILE  83          HG23      ILE  83   3.008  -0.884  -7.774
  613   HD11  ILE  83          HD11      ILE  83   5.446  -0.394  -9.445
  614   HD12  ILE  83          HD12      ILE  83   4.793   0.662 -10.723
  615   HD13  ILE  83          HD13      ILE  83   3.927   0.499  -9.186
  616    H    GLU  84           H        GLU  84   3.200  -3.015  -6.503
  617    HA   GLU  84           HA       GLU  84   2.314  -5.802  -6.870
  618    HB2  GLU  84           HB2      GLU  84   4.332  -4.829  -4.873
  619    HB3  GLU  84           HB3      GLU  84   3.142  -6.060  -4.356
  620    HG2  GLU  84           HG2      GLU  84   3.820  -7.410  -6.386
  621    HG3  GLU  84           HG3      GLU  84   5.139  -6.244  -6.629
  622    H    VAL  85           H        VAL  85   0.645  -6.432  -5.493
  623    HA   VAL  85           HA       VAL  85  -0.602  -4.361  -3.781
  624    HB   VAL  85           HB       VAL  85  -2.279  -6.033  -5.677
  625   HG11  VAL  85          HG11      VAL  85  -3.362  -4.949  -3.731
  626   HG12  VAL  85          HG12      VAL  85  -2.763  -3.368  -4.292
  627   HG13  VAL  85          HG13      VAL  85  -3.933  -4.273  -5.268
  628   HG21  VAL  85          HG21      VAL  85  -0.834  -4.767  -7.166
  629   HG22  VAL  85          HG22      VAL  85  -2.460  -4.059  -7.166
  630   HG23  VAL  85          HG23      VAL  85  -1.155  -3.272  -6.245
  631    H    PHE  86           H        PHE  86  -1.785  -5.332  -2.060
  632    HA   PHE  86           HA       PHE  86  -1.974  -8.287  -1.997
  633    HB2  PHE  86           HB2      PHE  86   0.291  -7.592  -1.161
  634    HB3  PHE  86           HB3      PHE  86  -0.493  -6.699   0.129
  635    HD1  PHE  86           HD1      PHE  86  -1.884  -8.021   1.803
  636    HD2  PHE  86           HD2      PHE  86   0.802  -9.941  -0.956
  637    HE1  PHE  86           HE1      PHE  86  -1.823 -10.031   3.249
  638    HE2  PHE  86           HE2      PHE  86   0.896 -11.903   0.484
  639    HZ   PHE  86           HZ       PHE  86  -0.429 -11.986   2.593
  640    H    LYS  87           H        LYS  87  -3.466  -9.004  -0.304
  641    HA   LYS  87           HA       LYS  87  -5.651  -7.121  -0.155
  642    HB2  LYS  87           HB2      LYS  87  -5.814  -9.564  -0.626
  643    HB3  LYS  87           HB3      LYS  87  -5.392  -9.897   1.068
  644    HG2  LYS  87           HG2      LYS  87  -7.378  -8.637   1.798
  645    HG3  LYS  87           HG3      LYS  87  -7.736  -8.211   0.107
  646    HD2  LYS  87           HD2      LYS  87  -7.994 -10.618  -0.439
  647    HD3  LYS  87           HD3      LYS  87  -7.667 -11.036   1.258
  648    HE2  LYS  87           HE2      LYS  87  -9.641  -9.729   1.966
  649    HE3  LYS  87           HE3      LYS  87  -9.958  -9.279   0.280
  650    HZ1  LYS  87           HZ1      LYS  87 -10.279 -11.599  -0.220
  651    HZ2  LYS  87           HZ2      LYS  87  -9.970 -12.028   1.339
  652    HZ3  LYS  87           HZ3      LYS  87 -11.302 -11.128   0.981
  653    H    SER  88           H        SER  88  -6.647  -6.252   1.647
  654    HA   SER  88           HA       SER  88  -5.201  -6.404   4.242
  655    HB2  SER  88           HB2      SER  88  -4.322  -4.478   2.923
  656    HB3  SER  88           HB3      SER  88  -5.963  -3.802   2.869
  657    HG   SER  88           HG       SER  88  -4.652  -2.986   4.599
  658    H    HIS  89           H        HIS  89  -6.595  -4.687   5.735
  659    HA   HIS  89           HA       HIS  89  -9.476  -4.991   5.366
  660    HB2  HIS  89           HB2      HIS  89  -9.641  -6.235   7.615
  661    HB3  HIS  89           HB3      HIS  89  -9.154  -7.164   6.195
  662    HD1  HIS  89           HD1      HIS  89  -7.612  -5.683   9.409
  663    HD2  HIS  89           HD2      HIS  89  -6.720  -8.248   6.204
  664    HE1  HIS  89           HE1      HIS  89  -5.354  -6.759   9.942
  665    H    ARG  90           H        ARG  90  -7.112  -3.043   6.035
  666    HA   ARG  90           HA       ARG  90  -7.183  -0.905   6.745
  667    HB2  ARG  90           HB2      ARG  90  -9.684  -1.145   6.308
  668    HB3  ARG  90           HB3      ARG  90  -9.872  -1.404   8.052
  669    HG2  ARG  90           HG2      ARG  90  -8.802   0.793   8.491
  670    HG3  ARG  90           HG3      ARG  90  -8.581   1.021   6.742
  671    HD2  ARG  90           HD2      ARG  90 -10.548   2.246   7.487
  672    HD3  ARG  90           HD3      ARG  90 -11.034   0.914   6.422
  673    HE   ARG  90           HE       ARG  90 -11.094   0.052   9.155
  674   HH11  ARG  90          HH11      ARG  90 -12.837   2.117   6.882
  675   HH12  ARG  90          HH12      ARG  90 -14.370   1.932   7.703
  676   HH21  ARG  90          HH21      ARG  90 -13.110  -0.172  10.211
  677   HH22  ARG  90          HH22      ARG  90 -14.521   0.644   9.583
  678    H    THR  91           H        THR  91  -7.935  -3.454   9.116
  679    HA   THR  91           HA       THR  91  -7.184  -1.892  11.417
  680    HB   THR  91           HB       THR  91  -7.019  -4.905  10.984
  681    HG1  THR  91           HG1      THR  91  -9.096  -4.851  11.930
  682   HG21  THR  91          HG21      THR  91  -7.216  -3.199  13.501
  683   HG22  THR  91          HG22      THR  91  -7.306  -4.977  13.454
  684   HG23  THR  91          HG23      THR  91  -5.807  -4.153  12.982
  685    H    GLU  92           H        GLU  92  -5.373  -3.991   9.126
  686    HA   GLU  92           HA       GLU  92  -2.824  -3.648  10.470
  687    HB2  GLU  92           HB2      GLU  92  -3.451  -5.479   8.803
  688    HB3  GLU  92           HB3      GLU  92  -3.356  -4.228   7.531
  689    HG2  GLU  92           HG2      GLU  92  -1.019  -3.753   8.191
  690    HG3  GLU  92           HG3      GLU  92  -1.113  -4.986   9.455
  691    H    MET  93           H        MET  93  -4.640  -1.825   7.991
  692    HA   MET  93           HA       MET  93  -2.482  -0.192   7.148
  693    HB2  MET  93           HB2      MET  93  -4.734  -0.337   6.066
  694    HB3  MET  93           HB3      MET  93  -5.424   0.541   7.446
  695    HG2  MET  93           HG2      MET  93  -3.863   2.436   6.978
  696    HG3  MET  93           HG3      MET  93  -3.267   1.559   5.567
  697    HE1  MET  93           HE1      MET  93  -6.834   2.158   7.138
  698    HE2  MET  93           HE2      MET  93  -6.022   3.739   7.144
  699    HE3  MET  93           HE3      MET  93  -7.436   3.468   6.095
  700    H    ASP  94           H        ASP  94  -4.903   0.249   9.780
  701    HA   ASP  94           HA       ASP  94  -3.869   2.732  10.720
  702    HB2  ASP  94           HB2      ASP  94  -6.138   1.697  11.123
  703    HB3  ASP  94           HB3      ASP  94  -5.360   0.594  12.258
  704    H    TRP  95           H        TRP  95  -2.988  -0.610  11.280
  705    HA   TRP  95           HA       TRP  95  -1.632  -0.275  13.785
  706    HB2  TRP  95           HB2      TRP  95  -2.503  -2.419  12.975
  707    HB3  TRP  95           HB3      TRP  95  -1.394  -2.376  11.611
  708    HD1  TRP  95           HD1      TRP  95  -1.546  -3.249  15.284
  709    HE1  TRP  95           HE1      TRP  95   0.618  -4.394  16.005
  710    HE3  TRP  95           HE3      TRP  95   1.208  -2.447  11.066
  711    HZ2  TRP  95           HZ2      TRP  95   3.253  -4.881  14.887
  712    HZ3  TRP  95           HZ3      TRP  95   3.555  -3.204  10.934
  713    HH2  TRP  95           HH2      TRP  95   4.583  -4.444  12.825
  714    H    VAL  96           H        VAL  96  -0.696   0.503  10.513
  715    HA   VAL  96           HA       VAL  96   2.118   0.870  11.477
  716    HB   VAL  96           HB       VAL  96   2.054  -0.942   9.887
  717   HG11  VAL  96          HG11      VAL  96   0.013  -0.575   8.731
  718   HG12  VAL  96          HG12      VAL  96   0.583   0.988   8.085
  719   HG13  VAL  96          HG13      VAL  96   1.341  -0.538   7.559
  720   HG21  VAL  96          HG21      VAL  96   3.954   0.669   9.795
  721   HG22  VAL  96          HG22      VAL  96   3.617  -0.105   8.232
  722   HG23  VAL  96          HG23      VAL  96   3.096   1.567   8.520
  723    H    LEU  97           H        LEU  97  -0.674   2.354   9.839
  724    HA   LEU  97           HA       LEU  97   0.790   4.676   8.954
  725    HB2  LEU  97           HB2      LEU  97  -2.000   3.728   9.081
  726    HB3  LEU  97           HB3      LEU  97  -1.856   5.461   9.372
  727    HG   LEU  97           HG       LEU  97  -2.280   5.013   7.036
  728   HD11  LEU  97          HD11      LEU  97   0.607   5.923   7.391
  729   HD12  LEU  97          HD12      LEU  97  -0.457   6.276   6.021
  730   HD13  LEU  97          HD13      LEU  97  -0.829   6.946   7.625
  731   HD21  LEU  97          HD21      LEU  97   0.320   3.442   7.048
  732   HD22  LEU  97          HD22      LEU  97  -1.320   2.768   6.869
  733   HD23  LEU  97          HD23      LEU  97  -0.665   3.842   5.620
  734    H    LYS  98           H        LYS  98   0.262   3.586  12.078
  735    HA   LYS  98           HA       LYS  98   0.154   6.358  13.161
  736    HB2  LYS  98           HB2      LYS  98  -1.075   3.821  14.275
  737    HB3  LYS  98           HB3      LYS  98  -1.083   5.401  15.068
  738    HG2  LYS  98           HG2      LYS  98  -2.330   4.833  12.343
  739    HG3  LYS  98           HG3      LYS  98  -3.195   4.866  13.883
  740    HD2  LYS  98           HD2      LYS  98  -2.618   7.223  14.221
  741    HD3  LYS  98           HD3      LYS  98  -1.664   7.228  12.725
  742    HE2  LYS  98           HE2      LYS  98  -3.879   8.211  12.343
  743    HE3  LYS  98           HE3      LYS  98  -3.669   6.725  11.401
  744    HZ1  LYS  98           HZ1      LYS  98  -4.957   5.554  13.025
  745    HZ2  LYS  98           HZ2      LYS  98  -5.094   6.897  13.974
  746    HZ3  LYS  98           HZ3      LYS  98  -5.813   6.850  12.496
  747    H    HIS  99           H        HIS  99   2.255   3.897  12.657
  748    HA   HIS  99           HA       HIS  99   3.875   4.723  14.963
  749    HB2  HIS  99           HB2      HIS  99   2.459   2.766  15.702
  750    HB3  HIS  99           HB3      HIS  99   3.267   1.784  14.475
  751    HD1  HIS  99           HD1      HIS  99   5.315   0.508  15.453
  752    HD2  HIS  99           HD2      HIS  99   4.401   4.088  17.456
  753    HE1  HIS  99           HE1      HIS  99   6.954   0.692  17.402
  754    H    SER 100           H        SER 100   3.556   3.922  11.731
  755    HA   SER 100           HA       SER 100   4.917   3.541  10.010
  756    HB2  SER 100           HB2      SER 100   6.905   4.976  11.795
  757    HB3  SER 100           HB3      SER 100   7.070   4.711  10.047
  758    HG   SER 100           HG       SER 100   6.145   6.761  10.551
  759    H    GLY 101           H        GLY 101   5.180   1.549  12.452
  760    HA2  GLY 101           HA2      GLY 101   6.636  -0.423  11.089
  761    HA3  GLY 101           HA3      GLY 101   7.776   0.371  12.187
  762    HA   PRO 102           HA       PRO 102   5.433  -2.961  14.513
  763    HB2  PRO 102           HB2      PRO 102   7.596  -4.469  15.248
  764    HB3  PRO 102           HB3      PRO 102   6.766  -4.664  13.667
  765    HG2  PRO 102           HG2      PRO 102   9.273  -3.073  14.267
  766    HG3  PRO 102           HG3      PRO 102   8.998  -4.249  12.939
  767    HD2  PRO 102           HD2      PRO 102   8.738  -1.556  12.570
  768    HD3  PRO 102           HD3      PRO 102   7.649  -2.717  11.749
  769    H5'    A   1           H5'        A   1  16.360   1.296   5.119
  770   H5''    A   1          H5''        A   1  14.991   1.471   3.998
  771    H4'    A   1           H4'        A   1  16.086  -1.252   4.833
  772    H3'    A   1           H3'        A   1  17.795   0.295   3.533
  773    H2'    A   1           H2'        A   1  16.035   1.417   2.270
  774   HO2'    A   1          HO2'        A   1  17.903   0.860   1.033
  775    H1'    A   1           H1'        A   1  15.248  -1.294   1.264
  776    H8     A   1           H8         A   1  12.599  -1.698   1.286
  777    H61    A   1           H61        A   1   9.938   3.615  -0.434
  778    H62    A   1           H62        A   1   9.681   1.908  -0.145
  779    H2     A   1           H2         A   1  14.157   4.476   0.676
  780   HO5'    A   1          HO5'        A   1  14.387   1.414   6.249
  781    H5'    G   2           H5'        G   2  18.183  -4.137   0.658
  782   H5''    G   2          H5''        G   2  18.373  -3.520  -0.995
  783    H4'    G   2           H4'        G   2  16.017  -2.880   0.825
  784    H3'    G   2           H3'        G   2  16.269  -4.671  -1.615
  785    H2'    G   2           H2'        G   2  13.972  -4.179  -1.993
  786   HO2'    G   2          HO2'        G   2  13.394  -4.664   0.261
  787    H1'    G   2           H1'        G   2  14.226  -1.616  -0.664
  788    H8     G   2           H8         G   2  16.293  -1.985  -3.782
  789    H1     G   2           H1         G   2  10.404   0.279  -4.760
  790    H21    G   2           H21        G   2   9.183   0.055  -2.921
  791    H22    G   2           H22        G   2   9.812  -0.726  -1.486
  792    H5'    G   3           H5'        G   3  12.640  -6.405  -0.209
  793   H5''    G   3          H5''        G   3  13.011  -8.141  -0.211
  794    H4'    G   3           H4'        G   3  11.120  -7.938  -1.605
  795    H3'    G   3           H3'        G   3  13.654  -8.649  -2.849
  796    H2'    G   3           H2'        G   3  13.487  -6.898  -4.378
  797   HO2'    G   3          HO2'        G   3  11.678  -8.886  -5.309
  798    H1'    G   3           H1'        G   3  10.468  -7.102  -4.045
  799    H8     G   3           H8         G   3  13.444  -4.892  -5.116
  800    H1     G   3           H1         G   3   7.671  -2.957  -7.161
  801    H21    G   3           H21        G   3   6.087  -4.028  -6.018
  802    H22    G   3           H22        G   3   6.485  -5.294  -4.872
  803    H5'    G   4           H5'        G   4  12.317 -10.116   0.486
  804   H5''    G   4          H5''        G   4  11.653 -11.751   0.365
  805    H4'    G   4           H4'        G   4  10.709 -10.604   2.296
  806    H3'    G   4           H3'        G   4   9.182 -12.035   0.579
  807    H2'    G   4           H2'        G   4   8.689 -10.194  -0.899
  808   HO2'    G   4          HO2'        G   4   6.665 -11.108  -0.120
  809    H1'    G   4           H1'        G   4   8.066  -8.540   1.524
  810    H8     G   4           H8         G   4   7.602  -8.535  -1.884
  811    H1     G   4           H1         G   4  10.403  -2.975  -0.293
  812    H21    G   4           H21        G   4  11.268  -3.138   1.755
  813    H22    G   4           H22        G   4  11.166  -4.618   2.682
  814    H5'    A   5           H5'        A   5   5.409 -11.412   2.133
  815   H5''    A   5          H5''        A   5   5.053 -12.771   3.213
  816    H4'    A   5           H4'        A   5   3.333 -12.696   1.554
  817    H3'    A   5           H3'        A   5   4.638 -15.044   2.000
  818    H2'    A   5           H2'        A   5   6.392 -14.644   0.405
  819   HO2'    A   5          HO2'        A   5   4.328 -16.027  -0.982
  820    H1'    A   5           H1'        A   5   4.352 -13.803  -1.642
  821    H8     A   5           H8         A   5   7.892 -13.393  -0.240
  822    H61    A   5           H61        A   5   9.287 -10.867  -5.714
  823    H62    A   5           H62        A   5   9.942 -11.538  -4.228
  824    H2     A   5           H2         A   5   4.864 -11.272  -5.478
  825    H5'    U   6           H5'        U   6   0.029 -13.638   0.236
  826   H5''    U   6          H5''        U   6  -1.143 -14.863  -0.243
  827    H4'    U   6           H4'        U   6  -0.084 -15.291  -2.304
  828    H3'    U   6           H3'        U   6   2.330 -13.871  -1.162
  829   HO3'    U   6          HO3'        U   6   2.271 -16.191  -0.988
  830    H2'    U   6           H2'        U   6   3.003 -13.462  -3.408
  831   HO2'    U   6          HO2'        U   6   2.348 -15.592  -4.210
  832    H1'    U   6           H1'        U   6   0.498 -12.795  -4.255
  833    H3     U   6           H3         U   6   0.843  -8.381  -3.575
  834    H5     U   6           H5         U   6   4.167 -10.042  -1.600
  835    H6     U   6           H6         U   6   3.224 -12.203  -1.946
  Start of MODEL   17
    1    H    MET   1           H        MET   1 -11.958 -26.466   4.040
    2    HA   MET   1           HA       MET   1 -10.362 -24.858   3.315
    3    HB2  MET   1           HB2      MET   1 -10.453 -27.103   2.258
    4    HB3  MET   1           HB3      MET   1 -11.540 -26.459   1.011
    5    HG2  MET   1           HG2      MET   1  -9.797 -24.822   0.358
    6    HG3  MET   1           HG3      MET   1  -8.716 -25.477   1.591
    7    HE1  MET   1           HE1      MET   1  -9.162 -28.631   1.371
    8    HE2  MET   1           HE2      MET   1  -7.857 -29.031   0.236
    9    HE3  MET   1           HE3      MET   1  -7.584 -27.820   1.510
   10    H    MET   2           H        MET   2 -10.146 -22.788   2.721
   11    HA   MET   2           HA       MET   2 -12.325 -21.256   1.692
   12    HB2  MET   2           HB2      MET   2  -9.343 -20.645   1.807
   13    HB3  MET   2           HB3      MET   2 -10.630 -19.457   1.525
   14    HG2  MET   2           HG2      MET   2 -10.290 -21.160   4.023
   15    HG3  MET   2           HG3      MET   2  -9.880 -19.451   3.867
   16    HE1  MET   2           HE1      MET   2 -11.229 -18.921   6.043
   17    HE2  MET   2           HE2      MET   2 -12.919 -19.409   6.313
   18    HE3  MET   2           HE3      MET   2 -11.645 -20.645   6.195
   19    H    LEU   3           H        LEU   3 -12.240 -19.925  -0.313
   20    HA   LEU   3           HA       LEU   3 -11.855 -21.614  -2.625
   21    HB2  LEU   3           HB2      LEU   3 -12.553 -18.671  -2.274
   22    HB3  LEU   3           HB3      LEU   3 -12.448 -19.465  -3.843
   23    HG   LEU   3           HG       LEU   3 -14.746 -19.308  -3.176
   24   HD11  LEU   3          HD11      LEU   3 -13.834 -22.198  -2.903
   25   HD12  LEU   3          HD12      LEU   3 -15.429 -21.625  -3.428
   26   HD13  LEU   3          HD13      LEU   3 -14.003 -21.317  -4.442
   27   HD21  LEU   3          HD21      LEU   3 -15.700 -20.373  -1.243
   28   HD22  LEU   3          HD22      LEU   3 -14.136 -21.060  -0.769
   29   HD23  LEU   3          HD23      LEU   3 -14.399 -19.296  -0.696
   30    H    GLY   4           H        GLY   4  -9.709 -19.653  -0.821
   31    HA2  GLY   4           HA2      GLY   4  -7.442 -20.276  -2.302
   32    HA3  GLY   4           HA3      GLY   4  -7.995 -18.713  -2.929
   33    HA   PRO   5           HA       PRO   5  -5.563 -18.139   1.081
   34    HB2  PRO   5           HB2      PRO   5  -3.232 -17.127   0.107
   35    HB3  PRO   5           HB3      PRO   5  -3.543 -18.894   0.174
   36    HG2  PRO   5           HG2      PRO   5  -3.908 -17.031  -2.193
   37    HG3  PRO   5           HG3      PRO   5  -3.032 -18.597  -2.149
   38    HD2  PRO   5           HD2      PRO   5  -5.624 -18.397  -3.000
   39    HD3  PRO   5           HD3      PRO   5  -5.054 -19.819  -2.071
   40    H    GLU   6           H        GLU   6  -5.087 -16.059   2.048
   41    HA   GLU   6           HA       GLU   6  -5.356 -13.620   0.484
   42    HB2  GLU   6           HB2      GLU   6  -7.345 -12.791   1.596
   43    HB3  GLU   6           HB3      GLU   6  -7.723 -14.293   0.744
   44    HG2  GLU   6           HG2      GLU   6  -7.510 -15.541   2.893
   45    HG3  GLU   6           HG3      GLU   6  -7.206 -14.009   3.734
   46    H    GLY   7           H        GLY   7  -5.575 -11.695   2.205
   47    HA2  GLY   7           HA2      GLY   7  -4.084 -12.258   4.673
   48    HA3  GLY   7           HA3      GLY   7  -3.227 -11.309   3.443
   49    H    GLY   8           H        GLY   8  -6.727 -11.023   3.734
   50    HA2  GLY   8           HA2      GLY   8  -6.649  -8.719   5.524
   51    HA3  GLY   8           HA3      GLY   8  -6.934  -8.309   3.827
   52    H    GLU   9           H        GLU   9  -8.949  -7.570   5.309
   53    HA   GLU   9           HA       GLU   9 -11.072  -9.596   4.959
   54    HB2  GLU   9           HB2      GLU   9 -10.399  -8.267   7.621
   55    HB3  GLU   9           HB3      GLU   9 -11.859  -9.214   7.287
   56    HG2  GLU   9           HG2      GLU   9 -10.439 -11.191   6.756
   57    HG3  GLU   9           HG3      GLU   9  -9.000 -10.253   7.202
   58    H    GLY  10           H        GLY  10 -10.199  -6.714   3.998
   59    HA2  GLY  10           HA2      GLY  10 -12.922  -5.568   4.248
   60    HA3  GLY  10           HA3      GLY  10 -11.551  -4.591   4.782
   61    H    PHE  11           H        PHE  11 -12.973  -3.453   2.920
   62    HA   PHE  11           HA       PHE  11 -12.125  -4.142   0.216
   63    HB2  PHE  11           HB2      PHE  11 -13.596  -1.668   1.122
   64    HB3  PHE  11           HB3      PHE  11 -13.582  -2.380  -0.484
   65    HD1  PHE  11           HD1      PHE  11 -13.922  -5.327   0.771
   66    HD2  PHE  11           HD2      PHE  11 -16.038  -1.601   1.124
   67    HE1  PHE  11           HE1      PHE  11 -15.993  -6.556   1.345
   68    HE2  PHE  11           HE2      PHE  11 -18.116  -2.834   1.684
   69    HZ   PHE  11           HZ       PHE  11 -18.095  -5.312   1.801
   70    H    VAL  12           H        VAL  12  -9.927  -3.716   1.809
   71    HA   VAL  12           HA       VAL  12  -8.824  -1.142   0.770
   72    HB   VAL  12           HB       VAL  12  -8.334  -2.387   3.511
   73   HG11  VAL  12          HG11      VAL  12  -7.127  -0.275   3.974
   74   HG12  VAL  12          HG12      VAL  12  -6.361  -1.183   2.661
   75   HG13  VAL  12          HG13      VAL  12  -7.372   0.237   2.289
   76   HG21  VAL  12          HG21      VAL  12 -10.564  -1.375   3.436
   77   HG22  VAL  12          HG22      VAL  12  -9.466  -0.361   4.393
   78   HG23  VAL  12          HG23      VAL  12  -9.890   0.113   2.731
   79    H    VAL  13           H        VAL  13  -6.617  -1.267   0.179
   80    HA   VAL  13           HA       VAL  13  -5.344  -3.949   0.411
   81    HB   VAL  13           HB       VAL  13  -4.609  -3.840  -1.938
   82   HG11  VAL  13          HG11      VAL  13  -7.639  -3.737  -1.653
   83   HG12  VAL  13          HG12      VAL  13  -6.714  -4.540  -2.942
   84   HG13  VAL  13          HG13      VAL  13  -6.614  -5.143  -1.274
   85   HG21  VAL  13          HG21      VAL  13  -6.589  -1.536  -2.188
   86   HG22  VAL  13          HG22      VAL  13  -4.819  -1.407  -2.324
   87   HG23  VAL  13          HG23      VAL  13  -5.737  -2.337  -3.526
   88    H    LYS  14           H        LYS  14  -3.068  -3.949  -0.092
   89    HA   LYS  14           HA       LYS  14  -1.738  -1.434   0.759
   90    HB2  LYS  14           HB2      LYS  14  -0.404  -4.119   0.372
   91    HB3  LYS  14           HB3      LYS  14   0.079  -2.777   1.422
   92    HG2  LYS  14           HG2      LYS  14  -2.010  -3.238   2.799
   93    HG3  LYS  14           HG3      LYS  14  -2.275  -4.677   1.792
   94    HD2  LYS  14           HD2      LYS  14   0.076  -5.425   2.424
   95    HD3  LYS  14           HD3      LYS  14   0.087  -4.109   3.621
   96    HE2  LYS  14           HE2      LYS  14  -2.039  -5.070   4.586
   97    HE3  LYS  14           HE3      LYS  14  -1.900  -6.410   3.432
   98    HZ1  LYS  14           HZ1      LYS  14  -0.984  -6.996   5.550
   99    HZ2  LYS  14           HZ2      LYS  14   0.234  -6.934   4.444
  100    HZ3  LYS  14           HZ3      LYS  14   0.037  -5.709   5.534
  101    H    LEU  15           H        LEU  15   0.249  -0.797  -0.414
  102    HA   LEU  15           HA       LEU  15   0.477  -1.807  -3.196
  103    HB2  LEU  15           HB2      LEU  15  -0.993   0.364  -2.686
  104    HB3  LEU  15           HB3      LEU  15   0.583   1.136  -2.552
  105    HG   LEU  15           HG       LEU  15  -0.243   1.489  -4.721
  106   HD11  LEU  15          HD11      LEU  15   1.708  -0.802  -5.087
  107   HD12  LEU  15          HD12      LEU  15   1.422   0.558  -6.184
  108   HD13  LEU  15          HD13      LEU  15   2.184   0.852  -4.605
  109   HD21  LEU  15          HD21      LEU  15  -1.926  -0.299  -4.780
  110   HD22  LEU  15          HD22      LEU  15  -0.930  -0.335  -6.252
  111   HD23  LEU  15          HD23      LEU  15  -0.646  -1.516  -4.956
  112    H    ARG  16           H        ARG  16   2.607  -1.886  -3.856
  113    HA   ARG  16           HA       ARG  16   4.681  -0.343  -2.421
  114    HB2  ARG  16           HB2      ARG  16   4.726  -3.388  -2.672
  115    HB3  ARG  16           HB3      ARG  16   6.070  -2.378  -2.109
  116    HG2  ARG  16           HG2      ARG  16   4.660  -1.606  -0.196
  117    HG3  ARG  16           HG3      ARG  16   3.373  -2.714  -0.736
  118    HD2  ARG  16           HD2      ARG  16   4.948  -4.615  -0.548
  119    HD3  ARG  16           HD3      ARG  16   6.208  -3.513   0.037
  120    HE   ARG  16           HE       ARG  16   4.238  -3.023   1.822
  121   HH11  ARG  16          HH11      ARG  16   5.525  -6.060   0.576
  122   HH12  ARG  16          HH12      ARG  16   5.181  -6.956   2.039
  123   HH21  ARG  16          HH21      ARG  16   3.805  -4.205   3.736
  124   HH22  ARG  16          HH22      ARG  16   4.210  -5.902   3.822
  125    H    GLY  17           H        GLY  17   6.557  -0.032  -3.710
  126    HA2  GLY  17           HA2      GLY  17   7.666  -1.448  -5.640
  127    HA3  GLY  17           HA3      GLY  17   6.263  -0.861  -6.539
  128    H    LEU  18           H        LEU  18   8.328  -0.217  -7.735
  129    HA   LEU  18           HA       LEU  18   9.546   1.390  -8.683
  130    HB2  LEU  18           HB2      LEU  18   7.766   3.283  -7.110
  131    HB3  LEU  18           HB3      LEU  18   8.738   3.707  -8.520
  132    HG   LEU  18           HG       LEU  18   6.331   1.857  -8.415
  133   HD11  LEU  18          HD11      LEU  18   6.958   4.395  -9.983
  134   HD12  LEU  18          HD12      LEU  18   5.445   3.462 -10.059
  135   HD13  LEU  18          HD13      LEU  18   5.904   4.290  -8.554
  136   HD21  LEU  18          HD21      LEU  18   7.849   0.735  -9.867
  137   HD22  LEU  18          HD22      LEU  18   6.766   1.664 -10.926
  138   HD23  LEU  18          HD23      LEU  18   8.398   2.271 -10.603
  139    HA   PRO  19           HA       PRO  19  13.082   2.781  -6.467
  140    HB2  PRO  19           HB2      PRO  19  12.660   5.395  -7.915
  141    HB3  PRO  19           HB3      PRO  19  14.173   4.450  -7.704
  142    HG2  PRO  19           HG2      PRO  19  12.812   4.299 -10.026
  143    HG3  PRO  19           HG3      PRO  19  13.409   2.785  -9.256
  144    HD2  PRO  19           HD2      PRO  19  10.635   3.989  -9.135
  145    HD3  PRO  19           HD3      PRO  19  11.114   2.290  -9.463
  146    H    TRP  20           H        TRP  20  11.841   2.740  -4.467
  147    HA   TRP  20           HA       TRP  20  11.214   3.514  -2.475
  148    HB2  TRP  20           HB2      TRP  20  12.926   5.900  -3.206
  149    HB3  TRP  20           HB3      TRP  20  12.420   5.454  -1.587
  150    HD1  TRP  20           HD1      TRP  20  15.405   5.743  -2.997
  151    HE1  TRP  20           HE1      TRP  20  17.136   3.960  -2.449
  152    HE3  TRP  20           HE3      TRP  20  12.257   1.966  -1.520
  153    HZ2  TRP  20           HZ2      TRP  20  17.166   1.292  -1.287
  154    HZ3  TRP  20           HZ3      TRP  20  13.207  -0.134  -0.627
  155    HH2  TRP  20           HH2      TRP  20  15.630  -0.442  -0.465
  156    H    SER  21           H        SER  21   9.813   5.102  -5.096
  157    HA   SER  21           HA       SER  21   8.037   6.577  -3.255
  158    HB2  SER  21           HB2      SER  21   9.577   7.972  -5.481
  159    HB3  SER  21           HB3      SER  21   8.294   8.696  -4.491
  160    HG   SER  21           HG       SER  21   9.639   8.235  -2.650
  161    H    CYS  22           H        CYS  22   6.161   7.495  -4.297
  162    HA   CYS  22           HA       CYS  22   5.465   6.797  -7.033
  163    HB2  CYS  22           HB2      CYS  22   5.184   4.650  -5.697
  164    HB3  CYS  22           HB3      CYS  22   3.944   5.482  -4.740
  165    HG   CYS  22           HG       CYS  22   2.822   3.897  -6.492
  166    H    SER  23           H        SER  23   2.816   7.301  -7.095
  167    HA   SER  23           HA       SER  23   2.210   9.541  -5.257
  168    HB2  SER  23           HB2      SER  23   1.641  11.044  -7.078
  169    HB3  SER  23           HB3      SER  23   3.334  10.538  -7.241
  170    HG   SER  23           HG       SER  23   2.224  10.390  -9.225
  171    H    VAL  24           H        VAL  24  -0.086  10.329  -5.588
  172    HA   VAL  24           HA       VAL  24  -1.746   8.006  -5.395
  173    HB   VAL  24           HB       VAL  24  -3.137   9.318  -4.300
  174   HG11  VAL  24          HG11      VAL  24  -1.178  11.588  -4.786
  175   HG12  VAL  24          HG12      VAL  24  -2.351  11.436  -3.459
  176   HG13  VAL  24          HG13      VAL  24  -0.984  10.313  -3.556
  177   HG21  VAL  24          HG21      VAL  24  -3.038  11.356  -6.532
  178   HG22  VAL  24          HG22      VAL  24  -4.303  10.130  -6.204
  179   HG23  VAL  24          HG23      VAL  24  -4.054  11.466  -5.074
  180    H    GLU  25           H        GLU  25  -0.863  10.007  -8.102
  181    HA   GLU  25           HA       GLU  25  -3.339   9.450  -9.580
  182    HB2  GLU  25           HB2      GLU  25  -0.700  10.738 -10.388
  183    HB3  GLU  25           HB3      GLU  25  -2.151  10.620 -11.403
  184    HG2  GLU  25           HG2      GLU  25  -3.432  11.902  -9.694
  185    HG3  GLU  25           HG3      GLU  25  -1.960  12.060  -8.722
  186    H    ASP  26           H        ASP  26  -0.041   8.106  -9.307
  187    HA   ASP  26           HA       ASP  26  -0.356   6.525 -11.746
  188    HB2  ASP  26           HB2      ASP  26   1.646   6.436  -9.454
  189    HB3  ASP  26           HB3      ASP  26   1.726   5.403 -10.892
  190    H    VAL  27           H        VAL  27  -0.933   6.089  -8.256
  191    HA   VAL  27           HA       VAL  27  -1.276   3.227  -8.489
  192    HB   VAL  27           HB       VAL  27  -0.554   4.366  -6.426
  193   HG11  VAL  27          HG11      VAL  27  -2.009   6.351  -6.601
  194   HG12  VAL  27          HG12      VAL  27  -3.425   5.345  -6.211
  195   HG13  VAL  27          HG13      VAL  27  -2.124   5.554  -5.017
  196   HG21  VAL  27          HG21      VAL  27  -1.907   3.065  -4.886
  197   HG22  VAL  27          HG22      VAL  27  -3.201   2.900  -6.097
  198   HG23  VAL  27          HG23      VAL  27  -1.626   2.119  -6.370
  199    H    GLN  28           H        GLN  28  -3.538   6.057  -8.556
  200    HA   GLN  28           HA       GLN  28  -5.856   4.335  -8.578
  201    HB2  GLN  28           HB2      GLN  28  -7.098   6.329  -9.193
  202    HB3  GLN  28           HB3      GLN  28  -5.989   6.659  -7.853
  203    HG2  GLN  28           HG2      GLN  28  -4.388   7.645  -9.488
  204    HG3  GLN  28           HG3      GLN  28  -5.565   7.400 -10.783
  205   HE21  GLN  28          HE21      GLN  28  -5.067   9.008  -7.622
  206   HE22  GLN  28          HE22      GLN  28  -6.198  10.317  -7.902
  207    H    ASN  29           H        ASN  29  -3.614   5.542 -11.049
  208    HA   ASN  29           HA       ASN  29  -5.239   4.753 -13.316
  209    HB2  ASN  29           HB2      ASN  29  -3.633   6.119 -14.150
  210    HB3  ASN  29           HB3      ASN  29  -2.592   5.881 -12.741
  211   HD21  ASN  29          HD21      ASN  29  -1.132   4.096 -12.649
  212   HD22  ASN  29          HD22      ASN  29  -0.579   3.326 -14.117
  213    H    PHE  30           H        PHE  30  -3.081   3.105 -11.072
  214    HA   PHE  30           HA       PHE  30  -2.563   0.869 -12.881
  215    HB2  PHE  30           HB2      PHE  30  -0.853   1.739 -11.422
  216    HB3  PHE  30           HB3      PHE  30  -1.862   1.511 -10.004
  217    HD1  PHE  30           HD1      PHE  30  -0.096  -0.314 -12.744
  218    HD2  PHE  30           HD2      PHE  30  -1.814  -0.516  -8.813
  219    HE1  PHE  30           HE1      PHE  30   0.857  -2.578 -12.444
  220    HE2  PHE  30           HE2      PHE  30  -0.923  -2.805  -8.531
  221    HZ   PHE  30           HZ       PHE  30   0.429  -3.841 -10.340
  222    H    LEU  31           H        LEU  31  -4.740   1.598 -10.163
  223    HA   LEU  31           HA       LEU  31  -5.745  -1.182 -10.147
  224    HB2  LEU  31           HB2      LEU  31  -6.211   1.279  -8.485
  225    HB3  LEU  31           HB3      LEU  31  -7.431   0.009  -8.504
  226    HG   LEU  31           HG       LEU  31  -5.942  -1.655  -7.687
  227   HD11  LEU  31          HD11      LEU  31  -3.894  -1.130  -8.820
  228   HD12  LEU  31          HD12      LEU  31  -3.733   0.405  -7.916
  229   HD13  LEU  31          HD13      LEU  31  -3.599  -1.159  -7.074
  230   HD21  LEU  31          HD21      LEU  31  -5.525   0.942  -6.154
  231   HD22  LEU  31          HD22      LEU  31  -6.954  -0.113  -6.037
  232   HD23  LEU  31          HD23      LEU  31  -5.369  -0.702  -5.490
  233    H    SER  32           H        SER  32  -5.997  -0.547 -12.617
  234    HA   SER  32           HA       SER  32  -8.120   0.946 -13.572
  235    HB2  SER  32           HB2      SER  32  -8.145  -0.734 -15.434
  236    HB3  SER  32           HB3      SER  32  -6.527  -0.114 -15.037
  237    HG   SER  32           HG       SER  32  -6.615  -2.414 -15.284
  238    H    ASP  33           H        ASP  33 -10.223   0.568 -14.030
  239    HA   ASP  33           HA       ASP  33 -12.350   0.057 -13.622
  240    HB2  ASP  33           HB2      ASP  33 -11.312  -2.768 -13.255
  241    HB3  ASP  33           HB3      ASP  33 -12.999  -2.303 -13.514
  242    H    CYS  34           H        CYS  34 -10.127  -0.307 -11.006
  243    HA   CYS  34           HA       CYS  34 -12.105  -1.022  -9.006
  244    HB2  CYS  34           HB2      CYS  34  -9.403   0.356  -8.776
  245    HB3  CYS  34           HB3      CYS  34 -10.321  -0.325  -7.428
  246    HG   CYS  34           HG       CYS  34 -10.369  -2.764  -8.240
  247    H    THR  35           H        THR  35 -12.221   0.626  -7.069
  248    HA   THR  35           HA       THR  35 -12.588   3.420  -7.981
  249    HB   THR  35           HB       THR  35 -14.641   1.755  -6.483
  250    HG1  THR  35           HG1      THR  35 -14.685   1.401  -8.712
  251   HG21  THR  35          HG21      THR  35 -16.035   3.815  -6.635
  252   HG22  THR  35          HG22      THR  35 -14.586   4.026  -5.631
  253   HG23  THR  35          HG23      THR  35 -14.621   4.686  -7.285
  254    H    ILE  36           H        ILE  36 -11.148   4.395  -6.767
  255    HA   ILE  36           HA       ILE  36 -10.356   3.528  -4.124
  256    HB   ILE  36           HB       ILE  36  -9.936   6.233  -5.461
  257   HG12  ILE  36          HG12      ILE  36  -7.566   4.880  -5.730
  258   HG13  ILE  36          HG13      ILE  36  -8.718   3.550  -5.947
  259   HG21  ILE  36          HG21      ILE  36  -8.393   4.726  -3.305
  260   HG22  ILE  36          HG22      ILE  36  -7.932   6.290  -4.010
  261   HG23  ILE  36          HG23      ILE  36  -9.410   6.160  -3.034
  262   HD11  ILE  36          HD11      ILE  36  -8.140   4.592  -8.099
  263   HD12  ILE  36          HD12      ILE  36  -9.855   4.889  -7.738
  264   HD13  ILE  36          HD13      ILE  36  -8.655   6.182  -7.490
  265    H    HIS  37           H        HIS  37 -10.924   4.301  -2.158
  266    HA   HIS  37           HA       HIS  37 -13.566   4.798  -1.606
  267    HB2  HIS  37           HB2      HIS  37 -11.811   4.014  -0.103
  268    HB3  HIS  37           HB3      HIS  37 -11.132   5.641  -0.052
  269    HD1  HIS  37           HD1      HIS  37 -13.906   3.513   1.433
  270    HD2  HIS  37           HD2      HIS  37 -12.675   7.519   1.256
  271    HE1  HIS  37           HE1      HIS  37 -15.199   4.746   3.258
  272    H    ASP  38           H        ASP  38 -11.077   7.332  -2.200
  273    HA   ASP  38           HA       ASP  38 -13.244   9.132  -3.005
  274    HB2  ASP  38           HB2      ASP  38 -11.369   9.798  -0.700
  275    HB3  ASP  38           HB3      ASP  38 -12.190  11.019  -1.676
  276    H    GLY  39           H        GLY  39 -10.484   7.673  -3.839
  277    HA2  GLY  39           HA2      GLY  39  -8.965   8.170  -5.535
  278    HA3  GLY  39           HA3      GLY  39  -9.733   9.754  -5.716
  279    H    ALA  40           H        ALA  40  -8.396  11.357  -5.331
  280    HA   ALA  40           HA       ALA  40  -5.893  11.144  -4.006
  281    HB1  ALA  40           HB1      ALA  40  -7.577  13.585  -4.689
  282    HB2  ALA  40           HB2      ALA  40  -5.838  13.597  -4.309
  283    HB3  ALA  40           HB3      ALA  40  -6.418  12.780  -5.776
  284    H    ALA  41           H        ALA  41  -8.823  10.931  -2.540
  285    HA   ALA  41           HA       ALA  41  -7.772  12.083  -0.009
  286    HB1  ALA  41           HB1      ALA  41 -10.632  12.121  -1.020
  287    HB2  ALA  41           HB2      ALA  41 -10.111  12.644   0.597
  288    HB3  ALA  41           HB3      ALA  41  -9.555  13.523  -0.847
  289    H    GLY  42           H        GLY  42  -7.950   9.323  -1.464
  290    HA2  GLY  42           HA2      GLY  42  -8.772   7.840   0.987
  291    HA3  GLY  42           HA3      GLY  42  -9.248   7.291  -0.635
  292    H    VAL  43           H        VAL  43  -6.311   8.675  -1.170
  293    HA   VAL  43           HA       VAL  43  -4.876   6.160  -1.196
  294    HB   VAL  43           HB       VAL  43  -4.641   8.312  -2.761
  295   HG11  VAL  43          HG11      VAL  43  -4.125   9.849  -0.863
  296   HG12  VAL  43          HG12      VAL  43  -2.613   8.951  -0.584
  297   HG13  VAL  43          HG13      VAL  43  -2.867   9.812  -2.108
  298   HG21  VAL  43          HG21      VAL  43  -3.388   6.210  -3.000
  299   HG22  VAL  43          HG22      VAL  43  -2.351   7.616  -3.291
  300   HG23  VAL  43          HG23      VAL  43  -2.234   6.740  -1.755
  301    H    HIS  44           H        HIS  44  -2.759   5.871  -0.070
  302    HA   HIS  44           HA       HIS  44  -2.179   7.633   2.219
  303    HB2  HIS  44           HB2      HIS  44  -2.894   4.696   2.442
  304    HB3  HIS  44           HB3      HIS  44  -1.815   5.485   3.594
  305    HD1  HIS  44           HD1      HIS  44  -2.996   7.700   4.918
  306    HD2  HIS  44           HD2      HIS  44  -5.433   4.876   2.991
  307    HE1  HIS  44           HE1      HIS  44  -5.334   7.979   5.894
  308    H    PHE  45           H        PHE  45  -0.014   7.169   3.090
  309    HA   PHE  45           HA       PHE  45   1.745   5.428   1.494
  310    HB2  PHE  45           HB2      PHE  45   2.029   8.445   1.719
  311    HB3  PHE  45           HB3      PHE  45   3.357   7.372   1.269
  312    HD1  PHE  45           HD1      PHE  45   3.330   6.120  -0.852
  313    HD2  PHE  45           HD2      PHE  45   0.219   8.914   0.154
  314    HE1  PHE  45           HE1      PHE  45   2.514   6.054  -3.194
  315    HE2  PHE  45           HE2      PHE  45  -0.597   8.839  -2.183
  316    HZ   PHE  45           HZ       PHE  45   0.530   7.389  -3.858
  317    H    ILE  46           H        ILE  46   4.072   5.642   2.520
  318    HA   ILE  46           HA       ILE  46   3.725   5.809   5.478
  319    HB   ILE  46           HB       ILE  46   5.145   3.584   3.993
  320   HG12  ILE  46          HG12      ILE  46   2.396   3.685   5.320
  321   HG13  ILE  46          HG13      ILE  46   2.711   3.532   3.582
  322   HG21  ILE  46          HG21      ILE  46   5.196   2.534   6.225
  323   HG22  ILE  46          HG22      ILE  46   5.990   4.114   6.288
  324   HG23  ILE  46          HG23      ILE  46   4.336   3.925   6.922
  325   HD11  ILE  46          HD11      ILE  46   3.951   1.403   4.063
  326   HD12  ILE  46          HD12      ILE  46   3.341   1.509   5.734
  327   HD13  ILE  46          HD13      ILE  46   2.202   1.363   4.370
  328    H    TYR  47           H        TYR  47   5.497   6.603   6.589
  329    HA   TYR  47           HA       TYR  47   8.015   7.223   5.228
  330    HB2  TYR  47           HB2      TYR  47   7.701   9.668   5.516
  331    HB3  TYR  47           HB3      TYR  47   6.635   8.959   4.299
  332    HD1  TYR  47           HD1      TYR  47   6.776  10.359   7.736
  333    HD2  TYR  47           HD2      TYR  47   4.259   8.959   4.541
  334    HE1  TYR  47           HE1      TYR  47   4.792  11.271   8.909
  335    HE2  TYR  47           HE2      TYR  47   2.265   9.878   5.696
  336    HH   TYR  47           HH       TYR  47   2.516  11.570   8.857
  337    H    THR  48           H        THR  48   9.305   8.772   6.714
  338    HA   THR  48           HA       THR  48   8.669   8.513   9.588
  339    HB   THR  48           HB       THR  48  11.013   7.736  10.018
  340    HG1  THR  48           HG1      THR  48  12.123   6.849   8.229
  341   HG21  THR  48          HG21      THR  48   9.429   5.833   8.252
  342   HG22  THR  48          HG22      THR  48  10.667   5.400   9.452
  343   HG23  THR  48          HG23      THR  48   9.135   6.124   9.989
  344    H    ARG  49           H        ARG  49  10.593   9.670  10.820
  345    HA   ARG  49           HA       ARG  49  10.643  12.370   9.994
  346    HB2  ARG  49           HB2      ARG  49  12.101  12.703  11.881
  347    HB3  ARG  49           HB3      ARG  49  10.908  11.460  12.293
  348    HG2  ARG  49           HG2      ARG  49  12.826  10.514  13.141
  349    HG3  ARG  49           HG3      ARG  49  12.777   9.770  11.535
  350    HD2  ARG  49           HD2      ARG  49  14.375  11.549  10.732
  351    HD3  ARG  49           HD3      ARG  49  14.419  12.207  12.370
  352    HE   ARG  49           HE       ARG  49  15.705   9.764  11.374
  353   HH11  ARG  49          HH11      ARG  49  14.706  11.595  14.237
  354   HH12  ARG  49          HH12      ARG  49  15.837  10.777  15.289
  355   HH21  ARG  49          HH21      ARG  49  17.160   8.721  12.775
  356   HH22  ARG  49          HH22      ARG  49  17.216   9.157  14.467
  357    H    GLU  50           H        GLU  50  12.704   9.677   9.165
  358    HA   GLU  50           HA       GLU  50  14.983  11.034   8.203
  359    HB2  GLU  50           HB2      GLU  50  14.628   8.559   8.612
  360    HB3  GLU  50           HB3      GLU  50  13.755   8.504   7.070
  361    HG2  GLU  50           HG2      GLU  50  16.097   7.849   6.773
  362    HG3  GLU  50           HG3      GLU  50  15.758   9.348   5.900
  363    H    GLY  51           H        GLY  51  11.758  10.658   6.736
  364    HA2  GLY  51           HA2      GLY  51  10.865  12.014   5.102
  365    HA3  GLY  51           HA3      GLY  51  12.450  12.750   4.829
  366    H    ARG  52           H        ARG  52  12.170   9.221   4.676
  367    HA   ARG  52           HA       ARG  52  13.227   9.203   2.021
  368    HB2  ARG  52           HB2      ARG  52  13.022   6.755   2.247
  369    HB3  ARG  52           HB3      ARG  52  13.776   7.490   3.672
  370    HG2  ARG  52           HG2      ARG  52  11.566   7.428   4.843
  371    HG3  ARG  52           HG3      ARG  52  10.863   6.621   3.420
  372    HD2  ARG  52           HD2      ARG  52  12.465   4.774   3.672
  373    HD3  ARG  52           HD3      ARG  52  13.201   5.594   5.066
  374    HE   ARG  52           HE       ARG  52  10.334   5.150   5.348
  375   HH11  ARG  52          HH11      ARG  52  13.528   3.699   5.796
  376   HH12  ARG  52          HH12      ARG  52  12.985   2.589   7.033
  377   HH21  ARG  52          HH21      ARG  52   9.645   3.679   6.956
  378   HH22  ARG  52          HH22      ARG  52  10.803   2.604   7.702
  379    H    GLN  53           H        GLN  53   9.998   9.413   3.199
  380    HA   GLN  53           HA       GLN  53   7.943   8.998   2.277
  381    HB2  GLN  53           HB2      GLN  53   9.378  10.399  -0.008
  382    HB3  GLN  53           HB3      GLN  53   7.618  10.235   0.147
  383    HG2  GLN  53           HG2      GLN  53   9.469  11.663   2.094
  384    HG3  GLN  53           HG3      GLN  53   8.325  12.428   0.986
  385   HE21  GLN  53          HE21      GLN  53   8.673  12.027   4.124
  386   HE22  GLN  53          HE22      GLN  53   7.051  11.602   4.634
  387    H    SER  54           H        SER  54   8.796   6.652   2.379
  388    HA   SER  54           HA       SER  54   9.638   5.102   0.296
  389    HB2  SER  54           HB2      SER  54   7.527   4.346   2.344
  390    HB3  SER  54           HB3      SER  54   8.634   3.245   1.500
  391    HG   SER  54           HG       SER  54   9.325   3.843   3.627
  392    H    GLY  55           H        GLY  55   8.663   3.631  -1.158
  393    HA2  GLY  55           HA2      GLY  55   6.271   4.603  -2.504
  394    HA3  GLY  55           HA3      GLY  55   7.259   3.185  -2.934
  395    H    GLU  56           H        GLU  56   6.930   2.512   0.149
  396    HA   GLU  56           HA       GLU  56   4.773   0.659  -0.065
  397    HB2  GLU  56           HB2      GLU  56   6.162   1.884   2.356
  398    HB3  GLU  56           HB3      GLU  56   5.064   0.484   2.412
  399    HG2  GLU  56           HG2      GLU  56   6.542  -0.814   0.986
  400    HG3  GLU  56           HG3      GLU  56   7.578   0.590   0.708
  401    H    ALA  57           H        ALA  57   2.636   0.810   0.496
  402    HA   ALA  57           HA       ALA  57   1.504   3.268   1.602
  403    HB1  ALA  57           HB1      ALA  57   2.069   4.099  -0.593
  404    HB2  ALA  57           HB2      ALA  57   1.460   2.628  -1.374
  405    HB3  ALA  57           HB3      ALA  57   0.323   3.756  -0.623
  406    H    PHE  58           H        PHE  58  -0.930   3.302   1.109
  407    HA   PHE  58           HA       PHE  58  -2.134   0.609   0.742
  408    HB2  PHE  58           HB2      PHE  58  -2.928   2.606   2.891
  409    HB3  PHE  58           HB3      PHE  58  -3.737   1.093   2.549
  410    HD1  PHE  58           HD1      PHE  58  -2.688  -1.077   3.173
  411    HD2  PHE  58           HD2      PHE  58  -0.891   2.701   4.148
  412    HE1  PHE  58           HE1      PHE  58  -1.287  -2.188   4.902
  413    HE2  PHE  58           HE2      PHE  58   0.476   1.610   5.881
  414    HZ   PHE  58           HZ       PHE  58   0.283  -0.844   6.278
  415    H    VAL  59           H        VAL  59  -4.467   0.784   0.230
  416    HA   VAL  59           HA       VAL  59  -5.392   3.430  -0.723
  417    HB   VAL  59           HB       VAL  59  -5.312   0.937  -2.482
  418   HG11  VAL  59          HG11      VAL  59  -7.302   2.343  -2.860
  419   HG12  VAL  59          HG12      VAL  59  -6.263   3.782  -3.021
  420   HG13  VAL  59          HG13      VAL  59  -6.174   2.474  -4.224
  421   HG21  VAL  59          HG21      VAL  59  -3.811   2.251  -3.931
  422   HG22  VAL  59          HG22      VAL  59  -3.769   3.551  -2.715
  423   HG23  VAL  59          HG23      VAL  59  -3.076   1.952  -2.349
  424    H    GLU  60           H        GLU  60  -7.353   3.662   0.234
  425    HA   GLU  60           HA       GLU  60  -8.979   1.314   0.910
  426    HB2  GLU  60           HB2      GLU  60  -9.541   4.310   1.025
  427    HB3  GLU  60           HB3      GLU  60 -10.628   3.039   1.618
  428    HG2  GLU  60           HG2      GLU  60  -8.804   2.269   3.161
  429    HG3  GLU  60           HG3      GLU  60  -7.845   3.675   2.662
  430    H    LEU  61           H        LEU  61 -11.028   0.832  -0.040
  431    HA   LEU  61           HA       LEU  61 -11.490   2.096  -2.710
  432    HB2  LEU  61           HB2      LEU  61 -11.999  -0.801  -2.070
  433    HB3  LEU  61           HB3      LEU  61 -12.024  -0.027  -3.647
  434    HG   LEU  61           HG       LEU  61  -9.467  -0.161  -1.992
  435   HD11  LEU  61          HD11      LEU  61 -10.422  -2.076  -4.129
  436   HD12  LEU  61          HD12      LEU  61  -8.858  -2.125  -3.287
  437   HD13  LEU  61          HD13      LEU  61 -10.363  -2.432  -2.386
  438   HD21  LEU  61          HD21      LEU  61 -10.030   0.162  -4.978
  439   HD22  LEU  61          HD22      LEU  61  -9.565   1.482  -3.873
  440   HD23  LEU  61          HD23      LEU  61  -8.427   0.158  -4.205
  441    H    GLY  62           H        GLY  62 -13.792   0.873  -3.436
  442    HA2  GLY  62           HA2      GLY  62 -15.674   2.138  -1.522
  443    HA3  GLY  62           HA3      GLY  62 -15.915   1.834  -3.249
  444    H    SER  63           H        SER  63 -15.012  -1.011  -3.150
  445    HA   SER  63           HA       SER  63 -17.038  -2.275  -1.414
  446    HB2  SER  63           HB2      SER  63 -17.188  -2.409  -4.453
  447    HB3  SER  63           HB3      SER  63 -18.189  -3.337  -3.320
  448    HG   SER  63           HG       SER  63 -18.990  -1.336  -2.532
  449    H    GLU  64           H        GLU  64 -17.102  -4.682  -1.792
  450    HA   GLU  64           HA       GLU  64 -14.534  -5.863  -1.614
  451    HB2  GLU  64           HB2      GLU  64 -16.599  -6.852  -0.699
  452    HB3  GLU  64           HB3      GLU  64 -17.260  -7.033  -2.327
  453    HG2  GLU  64           HG2      GLU  64 -15.458  -8.591  -2.923
  454    HG3  GLU  64           HG3      GLU  64 -14.720  -8.377  -1.319
  455    H    ASP  65           H        ASP  65 -16.597  -5.152  -4.434
  456    HA   ASP  65           HA       ASP  65 -15.257  -7.021  -6.153
  457    HB2  ASP  65           HB2      ASP  65 -17.534  -6.034  -6.530
  458    HB3  ASP  65           HB3      ASP  65 -16.774  -4.469  -6.857
  459    H    ASP  66           H        ASP  66 -14.521  -3.753  -5.024
  460    HA   ASP  66           HA       ASP  66 -12.624  -3.161  -7.158
  461    HB2  ASP  66           HB2      ASP  66 -13.130  -1.918  -4.424
  462    HB3  ASP  66           HB3      ASP  66 -12.076  -1.247  -5.673
  463    H    VAL  67           H        VAL  67 -12.468  -4.461  -3.791
  464    HA   VAL  67           HA       VAL  67  -9.581  -4.380  -3.734
  465    HB   VAL  67           HB       VAL  67 -10.536  -4.464  -1.625
  466   HG11  VAL  67          HG11      VAL  67 -12.223  -6.838  -2.413
  467   HG12  VAL  67          HG12      VAL  67 -12.156  -6.069  -0.815
  468   HG13  VAL  67          HG13      VAL  67 -12.778  -5.147  -2.191
  469   HG21  VAL  67          HG21      VAL  67  -9.848  -7.380  -2.113
  470   HG22  VAL  67          HG22      VAL  67  -8.640  -6.094  -1.878
  471   HG23  VAL  67          HG23      VAL  67  -9.780  -6.499  -0.574
  472    H    LYS  68           H        LYS  68 -11.988  -6.872  -4.725
  473    HA   LYS  68           HA       LYS  68 -10.089  -8.919  -5.230
  474    HB2  LYS  68           HB2      LYS  68 -12.771  -8.195  -6.464
  475    HB3  LYS  68           HB3      LYS  68 -11.861  -9.647  -6.922
  476    HG2  LYS  68           HG2      LYS  68 -11.874 -10.457  -4.621
  477    HG3  LYS  68           HG3      LYS  68 -12.684  -8.981  -4.066
  478    HD2  LYS  68           HD2      LYS  68 -14.638  -9.502  -5.484
  479    HD3  LYS  68           HD3      LYS  68 -13.827 -10.970  -6.079
  480    HE2  LYS  68           HE2      LYS  68 -13.742 -11.860  -3.774
  481    HE3  LYS  68           HE3      LYS  68 -14.527 -10.386  -3.173
  482    HZ1  LYS  68           HZ1      LYS  68 -16.097 -12.163  -3.477
  483    HZ2  LYS  68           HZ2      LYS  68 -16.438 -10.929  -4.505
  484    HZ3  LYS  68           HZ3      LYS  68 -15.717 -12.297  -5.072
  485    H    MET  69           H        MET  69 -11.301  -6.253  -7.344
  486    HA   MET  69           HA       MET  69  -9.780  -7.078  -9.623
  487    HB2  MET  69           HB2      MET  69 -11.174  -4.518  -8.802
  488    HB3  MET  69           HB3      MET  69 -10.229  -4.627 -10.298
  489    HG2  MET  69           HG2      MET  69 -11.555  -6.692 -10.895
  490    HG3  MET  69           HG3      MET  69 -12.612  -6.345  -9.526
  491    HE1  MET  69           HE1      MET  69 -13.986  -4.073  -9.298
  492    HE2  MET  69           HE2      MET  69 -12.617  -3.031  -9.766
  493    HE3  MET  69           HE3      MET  69 -14.175  -2.886 -10.608
  494    H    ALA  70           H        ALA  70  -8.938  -5.081  -6.796
  495    HA   ALA  70           HA       ALA  70  -6.561  -3.962  -7.992
  496    HB1  ALA  70           HB1      ALA  70  -7.333  -4.412  -5.083
  497    HB2  ALA  70           HB2      ALA  70  -6.015  -3.363  -5.660
  498    HB3  ALA  70           HB3      ALA  70  -7.704  -2.964  -6.047
  499    H    LEU  71           H        LEU  71  -7.342  -7.057  -6.490
  500    HA   LEU  71           HA       LEU  71  -4.539  -7.781  -6.076
  501    HB2  LEU  71           HB2      LEU  71  -7.136  -9.342  -5.856
  502    HB3  LEU  71           HB3      LEU  71  -5.546  -9.932  -5.336
  503    HG   LEU  71           HG       LEU  71  -6.813  -7.373  -4.277
  504   HD11  LEU  71          HD11      LEU  71  -6.770 -10.140  -3.035
  505   HD12  LEU  71          HD12      LEU  71  -7.370  -8.652  -2.261
  506   HD13  LEU  71          HD13      LEU  71  -8.204  -9.304  -3.692
  507   HD21  LEU  71          HD21      LEU  71  -4.484  -9.037  -3.293
  508   HD22  LEU  71          HD22      LEU  71  -4.400  -7.437  -4.081
  509   HD23  LEU  71          HD23      LEU  71  -5.173  -7.601  -2.488
  510    H    LYS  72           H        LYS  72  -6.787  -7.851  -8.703
  511    HA   LYS  72           HA       LYS  72  -5.735 -10.158 -10.074
  512    HB2  LYS  72           HB2      LYS  72  -7.128  -7.698 -11.183
  513    HB3  LYS  72           HB3      LYS  72  -6.845  -9.207 -12.065
  514    HG2  LYS  72           HG2      LYS  72  -8.541  -8.898  -9.569
  515    HG3  LYS  72           HG3      LYS  72  -9.148  -9.111 -11.214
  516    HD2  LYS  72           HD2      LYS  72  -8.177 -11.349 -11.333
  517    HD3  LYS  72           HD3      LYS  72  -7.421 -11.146  -9.734
  518    HE2  LYS  72           HE2      LYS  72  -9.602 -10.881  -8.684
  519    HE3  LYS  72           HE3      LYS  72 -10.410 -11.032 -10.258
  520    HZ1  LYS  72           HZ1      LYS  72  -8.769 -13.115  -8.971
  521    HZ2  LYS  72           HZ2      LYS  72 -10.412 -13.106  -9.057
  522    HZ3  LYS  72           HZ3      LYS  72  -9.519 -13.256 -10.429
  523    H    LYS  73           H        LYS  73  -4.200  -7.186  -9.434
  524    HA   LYS  73           HA       LYS  73  -2.260  -7.773 -11.589
  525    HB2  LYS  73           HB2      LYS  73  -1.981  -5.429 -12.073
  526    HB3  LYS  73           HB3      LYS  73  -3.678  -5.847 -12.297
  527    HG2  LYS  73           HG2      LYS  73  -2.645  -4.684  -9.682
  528    HG3  LYS  73           HG3      LYS  73  -2.961  -3.665 -11.075
  529    HD2  LYS  73           HD2      LYS  73  -4.992  -5.428  -9.660
  530    HD3  LYS  73           HD3      LYS  73  -4.859  -3.677  -9.551
  531    HE2  LYS  73           HE2      LYS  73  -5.689  -5.345 -11.952
  532    HE3  LYS  73           HE3      LYS  73  -6.650  -4.156 -11.054
  533    HZ1  LYS  73           HZ1      LYS  73  -4.344  -3.597 -12.792
  534    HZ2  LYS  73           HZ2      LYS  73  -5.917  -3.193 -13.066
  535    HZ3  LYS  73           HZ3      LYS  73  -5.074  -2.468 -11.850
  536    H    ASP  74           H        ASP  74  -2.502  -8.433  -8.806
  537    HA   ASP  74           HA       ASP  74  -1.136  -6.997  -6.959
  538    HB2  ASP  74           HB2      ASP  74  -0.749  -9.147  -5.839
  539    HB3  ASP  74           HB3      ASP  74  -2.379  -8.969  -6.501
  540    H    ARG  75           H        ARG  75   0.554  -8.194  -9.759
  541    HA   ARG  75           HA       ARG  75   3.023  -7.229  -8.478
  542    HB2  ARG  75           HB2      ARG  75   3.110  -9.892  -9.872
  543    HB3  ARG  75           HB3      ARG  75   4.377  -9.067  -8.938
  544    HG2  ARG  75           HG2      ARG  75   3.018  -9.330  -6.876
  545    HG3  ARG  75           HG3      ARG  75   1.831 -10.254  -7.836
  546    HD2  ARG  75           HD2      ARG  75   3.194 -11.910  -6.986
  547    HD3  ARG  75           HD3      ARG  75   3.879 -11.652  -8.599
  548    HE   ARG  75           HE       ARG  75   5.190  -9.946  -6.702
  549   HH11  ARG  75          HH11      ARG  75   4.973 -13.363  -7.583
  550   HH12  ARG  75          HH12      ARG  75   6.576 -13.735  -6.992
  551   HH21  ARG  75          HH21      ARG  75   7.250 -10.447  -5.946
  552   HH22  ARG  75          HH22      ARG  75   7.867 -12.082  -6.046
  553    H    GLU  76           H        GLU  76   1.158  -6.387 -10.783
  554    HA   GLU  76           HA       GLU  76   2.547  -6.844 -13.236
  555    HB2  GLU  76           HB2      GLU  76   0.665  -4.624 -12.409
  556    HB3  GLU  76           HB3      GLU  76   1.270  -4.864 -14.061
  557    HG2  GLU  76           HG2      GLU  76  -0.399  -6.757 -12.419
  558    HG3  GLU  76           HG3      GLU  76  -0.889  -5.896 -13.882
  559    H    SER  77           H        SER  77   2.908  -4.299 -14.353
  560    HA   SER  77           HA       SER  77   5.374  -3.419 -12.925
  561    HB2  SER  77           HB2      SER  77   6.670  -3.818 -15.000
  562    HB3  SER  77           HB3      SER  77   5.984  -5.325 -14.332
  563    HG   SER  77           HG       SER  77   5.640  -5.150 -16.585
  564    H    MET  78           H        MET  78   2.655  -2.313 -14.448
  565    HA   MET  78           HA       MET  78   2.088  -0.520 -15.759
  566    HB2  MET  78           HB2      MET  78   4.521   0.626 -14.344
  567    HB3  MET  78           HB3      MET  78   3.452   1.583 -15.374
  568    HG2  MET  78           HG2      MET  78   1.553   1.157 -13.953
  569    HG3  MET  78           HG3      MET  78   2.495   0.046 -12.948
  570    HE1  MET  78           HE1      MET  78   1.417   1.530 -10.949
  571    HE2  MET  78           HE2      MET  78   1.819   3.233 -10.649
  572    HE3  MET  78           HE3      MET  78   0.762   2.807 -12.009
  573    H    GLY  79           H        GLY  79   4.418  -2.493 -16.678
  574    HA2  GLY  79           HA2      GLY  79   5.311  -2.868 -18.756
  575    HA3  GLY  79           HA3      GLY  79   4.692  -1.300 -19.304
  576    H    HIS  80           H        HIS  80   6.522  -0.909 -16.409
  577    HA   HIS  80           HA       HIS  80   9.021  -0.432 -17.928
  578    HB2  HIS  80           HB2      HIS  80   7.531   1.706 -16.361
  579    HB3  HIS  80           HB3      HIS  80   9.123   1.890 -17.105
  580    HD1  HIS  80           HD1      HIS  80   5.451   2.063 -17.975
  581    HD2  HIS  80           HD2      HIS  80   9.195   1.846 -19.867
  582    HE1  HIS  80           HE1      HIS  80   5.076   2.741 -20.407
  583    H    ARG  81           H        ARG  81   7.513  -1.364 -14.947
  584    HA   ARG  81           HA       ARG  81  10.158  -1.680 -13.759
  585    HB2  ARG  81           HB2      ARG  81   9.622   0.654 -13.233
  586    HB3  ARG  81           HB3      ARG  81   8.132   0.159 -12.435
  587    HG2  ARG  81           HG2      ARG  81  10.114   0.695 -10.933
  588    HG3  ARG  81           HG3      ARG  81   9.342  -0.852 -10.623
  589    HD2  ARG  81           HD2      ARG  81  11.135  -1.966 -11.993
  590    HD3  ARG  81           HD3      ARG  81  11.943  -0.385 -12.114
  591    HE   ARG  81           HE       ARG  81  11.277  -1.244  -9.388
  592   HH11  ARG  81          HH11      ARG  81  13.720  -1.320 -11.945
  593   HH12  ARG  81          HH12      ARG  81  15.035  -1.630 -10.834
  594   HH21  ARG  81          HH21      ARG  81  13.004  -1.648  -7.971
  595   HH22  ARG  81          HH22      ARG  81  14.628  -1.822  -8.590
  596    H    TYR  82           H        TYR  82   7.978  -1.537 -11.252
  597    HA   TYR  82           HA       TYR  82   6.793  -4.179 -11.432
  598    HB2  TYR  82           HB2      TYR  82   9.174  -4.736 -11.137
  599    HB3  TYR  82           HB3      TYR  82   9.287  -3.634  -9.782
  600    HD1  TYR  82           HD1      TYR  82   6.240  -5.749  -9.672
  601    HD2  TYR  82           HD2      TYR  82  10.453  -5.492  -8.757
  602    HE1  TYR  82           HE1      TYR  82   6.021  -7.651  -8.069
  603    HE2  TYR  82           HE2      TYR  82  10.235  -7.394  -7.202
  604    HH   TYR  82           HH       TYR  82   8.868  -8.937  -6.299
  605    H    ILE  83           H        ILE  83   4.964  -3.819 -10.459
  606    HA   ILE  83           HA       ILE  83   4.901  -2.101  -8.032
  607    HB   ILE  83           HB       ILE  83   2.526  -2.598  -9.825
  608   HG12  ILE  83          HG12      ILE  83   4.145  -1.690 -11.383
  609   HG13  ILE  83          HG13      ILE  83   2.858  -0.535 -11.030
  610   HG21  ILE  83          HG21      ILE  83   3.287  -0.362  -7.907
  611   HG22  ILE  83          HG22      ILE  83   1.791  -0.413  -8.872
  612   HG23  ILE  83          HG23      ILE  83   2.086  -1.640  -7.628
  613   HD11  ILE  83          HD11      ILE  83   4.347   0.721  -9.529
  614   HD12  ILE  83          HD12      ILE  83   5.652  -0.453  -9.829
  615   HD13  ILE  83          HD13      ILE  83   5.047   0.552 -11.156
  616    H    GLU  84           H        GLU  84   3.245  -2.854  -6.444
  617    HA   GLU  84           HA       GLU  84   2.291  -5.614  -6.907
  618    HB2  GLU  84           HB2      GLU  84   4.333  -4.727  -4.880
  619    HB3  GLU  84           HB3      GLU  84   3.177  -6.011  -4.457
  620    HG2  GLU  84           HG2      GLU  84   3.831  -7.213  -6.565
  621    HG3  GLU  84           HG3      GLU  84   5.104  -6.008  -6.807
  622    H    VAL  85           H        VAL  85   0.732  -6.334  -5.411
  623    HA   VAL  85           HA       VAL  85  -0.548  -4.260  -3.733
  624    HB   VAL  85           HB       VAL  85  -2.202  -6.048  -5.534
  625   HG11  VAL  85          HG11      VAL  85  -3.897  -4.294  -5.161
  626   HG12  VAL  85          HG12      VAL  85  -3.317  -4.957  -3.623
  627   HG13  VAL  85          HG13      VAL  85  -2.737  -3.371  -4.187
  628   HG21  VAL  85          HG21      VAL  85  -2.488  -4.129  -7.081
  629   HG22  VAL  85          HG22      VAL  85  -1.208  -3.257  -6.205
  630   HG23  VAL  85          HG23      VAL  85  -0.829  -4.754  -7.095
  631    H    PHE  86           H        PHE  86  -1.889  -5.212  -2.084
  632    HA   PHE  86           HA       PHE  86  -1.913  -8.140  -1.797
  633    HB2  PHE  86           HB2      PHE  86   0.308  -7.247  -0.965
  634    HB3  PHE  86           HB3      PHE  86  -0.568  -6.363   0.274
  635    HD1  PHE  86           HD1      PHE  86  -1.755  -7.646   2.054
  636    HD2  PHE  86           HD2      PHE  86   0.803  -9.600  -0.800
  637    HE1  PHE  86           HE1      PHE  86  -1.566  -9.599   3.570
  638    HE2  PHE  86           HE2      PHE  86   1.049 -11.508   0.744
  639    HZ   PHE  86           HZ       PHE  86  -0.150 -11.535   2.916
  640    H    LYS  87           H        LYS  87  -3.500  -8.774  -0.187
  641    HA   LYS  87           HA       LYS  87  -5.657  -6.857  -0.098
  642    HB2  LYS  87           HB2      LYS  87  -5.820  -9.354  -0.439
  643    HB3  LYS  87           HB3      LYS  87  -5.484  -9.555   1.293
  644    HG2  LYS  87           HG2      LYS  87  -7.468  -8.113   1.780
  645    HG3  LYS  87           HG3      LYS  87  -7.761  -7.969   0.035
  646    HD2  LYS  87           HD2      LYS  87  -8.076 -10.416  -0.122
  647    HD3  LYS  87           HD3      LYS  87  -7.746 -10.576   1.620
  648    HE2  LYS  87           HE2      LYS  87  -9.702  -9.153   2.132
  649    HE3  LYS  87           HE3      LYS  87 -10.030  -8.970   0.398
  650    HZ1  LYS  87           HZ1      LYS  87 -10.045 -11.530   1.869
  651    HZ2  LYS  87           HZ2      LYS  87 -11.379 -10.686   1.406
  652    HZ3  LYS  87           HZ3      LYS  87 -10.381 -11.334   0.271
  653    H    SER  88           H        SER  88  -6.679  -5.984   1.759
  654    HA   SER  88           HA       SER  88  -5.104  -6.034   4.277
  655    HB2  SER  88           HB2      SER  88  -4.328  -4.138   2.826
  656    HB3  SER  88           HB3      SER  88  -5.965  -3.454   2.931
  657    HG   SER  88           HG       SER  88  -4.511  -2.632   4.528
  658    H    HIS  89           H        HIS  89  -6.465  -4.158   5.718
  659    HA   HIS  89           HA       HIS  89  -9.320  -4.950   5.640
  660    HB2  HIS  89           HB2      HIS  89  -9.057  -5.455   8.163
  661    HB3  HIS  89           HB3      HIS  89  -8.541  -6.678   7.001
  662    HD1  HIS  89           HD1      HIS  89  -7.266  -5.001  10.008
  663    HD2  HIS  89           HD2      HIS  89  -5.706  -6.565   6.433
  664    HE1  HIS  89           HE1      HIS  89  -4.752  -5.315  10.373
  665    H    ARG  90           H        ARG  90  -6.797  -3.115   7.347
  666    HA   ARG  90           HA       ARG  90  -6.947  -0.689   6.933
  667    HB2  ARG  90           HB2      ARG  90  -8.687   0.640   7.746
  668    HB3  ARG  90           HB3      ARG  90  -9.419  -0.583   6.722
  669    HG2  ARG  90           HG2      ARG  90 -10.110  -1.838   8.798
  670    HG3  ARG  90           HG3      ARG  90  -9.307  -0.608   9.785
  671    HD2  ARG  90           HD2      ARG  90 -11.748  -0.237   9.635
  672    HD3  ARG  90           HD3      ARG  90 -10.817   1.119   8.988
  673    HE   ARG  90           HE       ARG  90 -12.400  -0.863   7.428
  674   HH11  ARG  90          HH11      ARG  90 -10.491   2.116   7.511
  675   HH12  ARG  90          HH12      ARG  90 -10.945   2.591   5.890
  676   HH21  ARG  90          HH21      ARG  90 -13.011  -0.187   5.331
  677   HH22  ARG  90          HH22      ARG  90 -12.384   1.311   4.681
  678    H    THR  91           H        THR  91  -7.266  -2.922   9.594
  679    HA   THR  91           HA       THR  91  -6.610  -1.035  11.676
  680    HB   THR  91           HB       THR  91  -6.240  -4.054  11.538
  681    HG1  THR  91           HG1      THR  91  -8.403  -3.265  11.354
  682   HG21  THR  91          HG21      THR  91  -6.205  -2.127  13.896
  683   HG22  THR  91          HG22      THR  91  -6.245  -3.902  14.023
  684   HG23  THR  91          HG23      THR  91  -4.838  -3.101  13.301
  685    H    GLU  92           H        GLU  92  -4.667  -3.086   9.470
  686    HA   GLU  92           HA       GLU  92  -2.132  -2.349  10.695
  687    HB2  GLU  92           HB2      GLU  92  -2.555  -4.407   9.304
  688    HB3  GLU  92           HB3      GLU  92  -2.732  -3.352   7.882
  689    HG2  GLU  92           HG2      GLU  92  -0.442  -2.499   8.233
  690    HG3  GLU  92           HG3      GLU  92  -0.273  -3.519   9.674
  691    H    MET  93           H        MET  93  -4.189  -1.107   8.067
  692    HA   MET  93           HA       MET  93  -2.329   0.742   6.967
  693    HB2  MET  93           HB2      MET  93  -4.429   0.018   5.867
  694    HB3  MET  93           HB3      MET  93  -5.364   0.829   7.138
  695    HG2  MET  93           HG2      MET  93  -4.265   2.996   6.481
  696    HG3  MET  93           HG3      MET  93  -3.492   2.143   5.142
  697    HE1  MET  93           HE1      MET  93  -7.990   3.055   5.661
  698    HE2  MET  93           HE2      MET  93  -7.117   1.929   6.727
  699    HE3  MET  93           HE3      MET  93  -6.666   3.649   6.694
  700    H    ASP  94           H        ASP  94  -4.598   0.952   9.731
  701    HA   ASP  94           HA       ASP  94  -4.207   3.789  10.120
  702    HB2  ASP  94           HB2      ASP  94  -6.177   2.419  10.854
  703    HB3  ASP  94           HB3      ASP  94  -5.138   1.655  12.057
  704    H    TRP  95           H        TRP  95  -2.536   0.868  11.092
  705    HA   TRP  95           HA       TRP  95  -1.223   2.027  13.408
  706    HB2  TRP  95           HB2      TRP  95  -1.753  -0.365  13.223
  707    HB3  TRP  95           HB3      TRP  95  -0.690  -0.512  11.833
  708    HD1  TRP  95           HD1      TRP  95  -0.426   0.451  15.572
  709    HE1  TRP  95           HE1      TRP  95   1.840  -0.295  16.476
  710    HE3  TRP  95           HE3      TRP  95   1.582  -1.408  11.253
  711    HZ2  TRP  95           HZ2      TRP  95   4.264  -1.494  15.439
  712    HZ3  TRP  95           HZ3      TRP  95   3.878  -2.318  11.235
  713    HH2  TRP  95           HH2      TRP  95   5.230  -2.370  13.316
  714    H    VAL  96           H        VAL  96   0.223   0.700  10.349
  715    HA   VAL  96           HA       VAL  96   2.790   1.762  11.032
  716    HB   VAL  96           HB       VAL  96   2.439  -0.245   9.650
  717   HG11  VAL  96          HG11      VAL  96   0.505   0.389   8.401
  718   HG12  VAL  96          HG12      VAL  96   1.395   1.728   7.625
  719   HG13  VAL  96          HG13      VAL  96   1.840   0.037   7.280
  720   HG21  VAL  96          HG21      VAL  96   4.573   1.035   9.507
  721   HG22  VAL  96          HG22      VAL  96   4.164   0.179   8.001
  722   HG23  VAL  96          HG23      VAL  96   3.907   1.932   8.119
  723    H    LEU  97           H        LEU  97   0.041   3.257   9.520
  724    HA   LEU  97           HA       LEU  97   1.319   5.257   7.971
  725    HB2  LEU  97           HB2      LEU  97  -1.303   4.630   9.063
  726    HB3  LEU  97           HB3      LEU  97  -0.999   6.351   9.213
  727    HG   LEU  97           HG       LEU  97  -2.197   5.747   7.141
  728   HD11  LEU  97          HD11      LEU  97  -0.853   7.795   7.242
  729   HD12  LEU  97          HD12      LEU  97   0.587   6.895   6.710
  730   HD13  LEU  97          HD13      LEU  97  -0.797   7.086   5.612
  731   HD21  LEU  97          HD21      LEU  97  -1.155   4.609   5.317
  732   HD22  LEU  97          HD22      LEU  97   0.396   4.483   6.183
  733   HD23  LEU  97          HD23      LEU  97  -1.019   3.553   6.725
  734    H    LYS  98           H        LYS  98   1.232   4.804  11.426
  735    HA   LYS  98           HA       LYS  98   2.518   7.439  11.834
  736    HB2  LYS  98           HB2      LYS  98   0.180   6.249  13.361
  737    HB3  LYS  98           HB3      LYS  98   1.141   7.617  13.941
  738    HG2  LYS  98           HG2      LYS  98  -0.333   7.588  11.275
  739    HG3  LYS  98           HG3      LYS  98  -0.979   8.249  12.774
  740    HD2  LYS  98           HD2      LYS  98   0.876   9.850  12.930
  741    HD3  LYS  98           HD3      LYS  98   1.597   9.202  11.447
  742    HE2  LYS  98           HE2      LYS  98  -1.173  10.453  11.620
  743    HE3  LYS  98           HE3      LYS  98   0.290  11.299  11.085
  744    HZ1  LYS  98           HZ1      LYS  98  -0.943  10.473   9.227
  745    HZ2  LYS  98           HZ2      LYS  98   0.501   9.687   9.318
  746    HZ3  LYS  98           HZ3      LYS  98  -0.880   8.929   9.794
  747    H    HIS  99           H        HIS  99   3.135   4.293  11.870
  748    HA   HIS  99           HA       HIS  99   4.741   4.456  14.359
  749    HB2  HIS  99           HB2      HIS  99   2.933   2.145  13.569
  750    HB3  HIS  99           HB3      HIS  99   4.144   2.084  14.856
  751    HD1  HIS  99           HD1      HIS  99   0.695   3.553  14.147
  752    HD2  HIS  99           HD2      HIS  99   3.638   3.424  17.139
  753    HE1  HIS  99           HE1      HIS  99  -0.397   4.443  16.278
  754    H    SER 100           H        SER 100   4.982   4.332  11.151
  755    HA   SER 100           HA       SER 100   6.688   2.110  10.629
  756    HB2  SER 100           HB2      SER 100   5.626   3.589   8.915
  757    HB3  SER 100           HB3      SER 100   6.732   4.892   9.396
  758    HG   SER 100           HG       SER 100   7.389   2.359   8.286
  759    H    GLY 101           H        GLY 101   9.061   2.297  10.145
  760    HA2  GLY 101           HA2      GLY 101  10.580   4.299  11.599
  761    HA3  GLY 101           HA3      GLY 101  10.612   2.701  12.365
  762    HA   PRO 102           HA       PRO 102  13.988   3.509   9.058
  763    HB2  PRO 102           HB2      PRO 102  15.401   2.125  11.348
  764    HB3  PRO 102           HB3      PRO 102  16.061   3.320  10.182
  765    HG2  PRO 102           HG2      PRO 102  15.276   4.140  12.636
  766    HG3  PRO 102           HG3      PRO 102  14.798   5.093  11.190
  767    HD2  PRO 102           HD2      PRO 102  13.140   3.132  12.778
  768    HD3  PRO 102           HD3      PRO 102  12.664   4.706  12.069
  769    H5'    A   1           H5'        A   1  18.056   1.485   4.429
  770   H5''    A   1          H5''        A   1  16.434   1.103   3.807
  771    H4'    A   1           H4'        A   1  18.377  -1.056   4.720
  772    H3'    A   1           H3'        A   1  19.070   0.513   2.659
  773    H2'    A   1           H2'        A   1  17.084   0.801   1.593
  774   HO2'    A   1          HO2'        A   1  18.513  -0.268   0.111
  775    H1'    A   1           H1'        A   1  16.096  -1.960   1.739
  776    H8     A   1           H8         A   1  13.754  -2.230   2.973
  777    H61    A   1           H61        A   1  10.640   3.056   2.093
  778    H62    A   1           H62        A   1  10.485   1.363   2.530
  779    H2     A   1           H2         A   1  14.921   3.813   1.229
  780   HO5'    A   1          HO5'        A   1  16.443   1.500   6.077
  781    H5'    G   2           H5'        G   2  17.765  -5.080   0.796
  782   H5''    G   2          H5''        G   2  18.199  -3.542   0.005
  783    H4'    G   2           H4'        G   2  15.421  -3.772   1.118
  784    H3'    G   2           H3'        G   2  16.341  -5.199  -1.378
  785    H2'    G   2           H2'        G   2  14.366  -4.486  -2.411
  786   HO2'    G   2          HO2'        G   2  12.997  -5.498  -0.852
  787    H1'    G   2           H1'        G   2  13.948  -2.317  -0.453
  788    H8     G   2           H8         G   2  16.716  -1.561  -2.741
  789    H1     G   2           H1         G   2  11.042  -0.108  -5.309
  790    H21    G   2           H21        G   2   9.419  -0.960  -4.109
  791    H22    G   2           H22        G   2   9.720  -1.995  -2.731
  792    H5'    G   3           H5'        G   3  12.201  -7.003  -0.152
  793   H5''    G   3          H5''        G   3  12.525  -8.741  -0.342
  794    H4'    G   3           H4'        G   3  10.520  -8.199  -1.596
  795    H3'    G   3           H3'        G   3  13.042  -8.826  -3.113
  796    H2'    G   3           H2'        G   3  12.364  -7.848  -4.981
  797   HO2'    G   3          HO2'        G   3   9.911  -9.223  -4.563
  798    H1'    G   3           H1'        G   3   9.713  -7.088  -3.797
  799    H8     G   3           H8         G   3  13.109  -5.539  -5.006
  800    H1     G   3           H1         G   3   7.722  -2.834  -7.227
  801    H21    G   3           H21        G   3   5.977  -3.674  -6.149
  802    H22    G   3           H22        G   3   6.174  -5.004  -5.021
  803    H5'    G   4           H5'        G   4   8.125 -11.381  -0.622
  804   H5''    G   4          H5''        G   4   7.980  -9.623  -0.778
  805    H4'    G   4           H4'        G   4   9.389 -11.085   1.506
  806    H3'    G   4           H3'        G   4   6.690 -11.059   1.188
  807    H2'    G   4           H2'        G   4   6.275  -8.860   0.710
  808   HO2'    G   4          HO2'        G   4   6.465  -8.910   3.541
  809    H1'    G   4           H1'        G   4   8.188  -7.553   2.485
  810    H8     G   4           H8         G   4   6.682  -7.967  -0.932
  811    H1     G   4           H1         G   4  10.548  -2.881  -0.408
  812    H21    G   4           H21        G   4  11.691  -2.999   1.508
  813    H22    G   4           H22        G   4  11.509  -4.349   2.607
  814    H5'    A   5           H5'        A   5   6.950 -14.551   1.634
  815   H5''    A   5          H5''        A   5   6.887 -12.934   0.931
  816    H4'    A   5           H4'        A   5   4.502 -14.728   1.589
  817    H3'    A   5           H3'        A   5   6.088 -14.835  -0.601
  818    H2'    A   5           H2'        A   5   6.034 -12.394  -0.835
  819   HO2'    A   5          HO2'        A   5   4.731 -12.080  -2.772
  820    H1'    A   5           H1'        A   5   3.027 -12.768  -0.651
  821    H8     A   5           H8         A   5   3.994 -10.306   1.759
  822    H61    A   5           H61        A   5   2.932  -5.841  -2.408
  823    H62    A   5           H62        A   5   3.115  -6.193  -0.700
  824    H2     A   5           H2         A   5   3.406  -9.664  -4.611
  825    H5'    U   6           H5'        U   6   1.601 -14.903  -2.521
  826   H5''    U   6          H5''        U   6   1.669 -16.157  -3.785
  827    H4'    U   6           H4'        U   6   2.389 -14.414  -5.424
  828    H3'    U   6           H3'        U   6   2.621 -12.867  -2.946
  829   HO3'    U   6          HO3'        U   6   4.227 -12.923  -4.524
  830    H2'    U   6           H2'        U   6   1.117 -11.154  -3.294
  831   HO2'    U   6          HO2'        U   6   2.111 -10.749  -5.440
  832    H1'    U   6           H1'        U   6  -0.785 -12.317  -4.752
  833    H3     U   6           H3         U   6  -3.229 -14.638  -1.673
  834    H5     U   6           H5         U   6   0.162 -13.283   0.390
  835    H6     U   6           H6         U   6   1.096 -12.533  -1.695
  Start of MODEL   18
    1    H    MET   1           H        MET   1  -0.304 -15.396  15.183
    2    HA   MET   1           HA       MET   1  -1.716 -16.593  12.906
    3    HB2  MET   1           HB2      MET   1   1.260 -16.391  13.514
    4    HB3  MET   1           HB3      MET   1   0.544 -17.364  12.210
    5    HG2  MET   1           HG2      MET   1  -0.455 -15.329  11.233
    6    HG3  MET   1           HG3      MET   1   0.270 -14.355  12.516
    7    HE1  MET   1           HE1      MET   1   1.878 -17.402  10.497
    8    HE2  MET   1           HE2      MET   1   0.863 -16.520   9.330
    9    HE3  MET   1           HE3      MET   1   2.632 -16.506   9.160
   10    H    MET   2           H        MET   2  -0.465 -18.964  12.759
   11    HA   MET   2           HA       MET   2  -0.680 -21.075  13.509
   12    HB2  MET   2           HB2      MET   2   0.495 -19.819  16.013
   13    HB3  MET   2           HB3      MET   2   0.323 -21.560  15.745
   14    HG2  MET   2           HG2      MET   2   2.540 -21.035  15.157
   15    HG3  MET   2           HG3      MET   2   1.673 -21.334  13.652
   16    HE1  MET   2           HE1      MET   2   4.415 -18.749  12.625
   17    HE2  MET   2           HE2      MET   2   4.550 -20.063  13.819
   18    HE3  MET   2           HE3      MET   2   3.674 -20.332  12.294
   19    H    LEU   3           H        LEU   3  -2.993 -19.076  14.151
   20    HA   LEU   3           HA       LEU   3  -4.610 -21.110  15.499
   21    HB2  LEU   3           HB2      LEU   3  -3.600 -19.784  17.353
   22    HB3  LEU   3           HB3      LEU   3  -4.263 -18.305  16.647
   23    HG   LEU   3           HG       LEU   3  -6.561 -19.139  17.021
   24   HD11  LEU   3          HD11      LEU   3  -6.898 -21.186  18.400
   25   HD12  LEU   3          HD12      LEU   3  -6.185 -21.567  16.823
   26   HD13  LEU   3          HD13      LEU   3  -5.159 -21.539  18.278
   27   HD21  LEU   3          HD21      LEU   3  -6.523 -19.042  19.480
   28   HD22  LEU   3          HD22      LEU   3  -4.769 -19.348  19.474
   29   HD23  LEU   3          HD23      LEU   3  -5.413 -17.842  18.778
   30    H    GLY   4           H        GLY   4  -4.195 -18.273  13.513
   31    HA2  GLY   4           HA2      GLY   4  -6.420 -18.661  11.921
   32    HA3  GLY   4           HA3      GLY   4  -6.980 -17.584  13.213
   33    HA   PRO   5           HA       PRO   5  -4.739 -15.095   9.894
   34    HB2  PRO   5           HB2      PRO   5  -6.855 -13.819   8.756
   35    HB3  PRO   5           HB3      PRO   5  -6.389 -15.487   8.281
   36    HG2  PRO   5           HG2      PRO   5  -8.522 -14.651  10.272
   37    HG3  PRO   5           HG3      PRO   5  -8.683 -15.798   8.899
   38    HD2  PRO   5           HD2      PRO   5  -8.190 -16.642  11.453
   39    HD3  PRO   5           HD3      PRO   5  -7.458 -17.466  10.039
   40    H    GLU   6           H        GLU   6  -4.842 -12.637   9.710
   41    HA   GLU   6           HA       GLU   6  -6.030 -11.303  12.074
   42    HB2  GLU   6           HB2      GLU   6  -3.076 -11.239  11.326
   43    HB3  GLU   6           HB3      GLU   6  -3.849 -10.158  12.500
   44    HG2  GLU   6           HG2      GLU   6  -4.540 -12.128  13.849
   45    HG3  GLU   6           HG3      GLU   6  -3.695 -13.190  12.706
   46    H    GLY   7           H        GLY   7  -5.988 -11.424   8.864
   47    HA2  GLY   7           HA2      GLY   7  -6.824  -8.729   8.480
   48    HA3  GLY   7           HA3      GLY   7  -5.168  -8.926   7.882
   49    H    GLY   8           H        GLY   8  -6.805  -8.249   5.948
   50    HA2  GLY   8           HA2      GLY   8  -7.189  -9.002   3.775
   51    HA3  GLY   8           HA3      GLY   8  -7.046 -10.686   4.316
   52    H    GLU   9           H        GLU   9  -9.141  -8.294   5.921
   53    HA   GLU   9           HA       GLU   9 -11.508  -9.843   4.985
   54    HB2  GLU   9           HB2      GLU   9 -10.829  -9.001   7.829
   55    HB3  GLU   9           HB3      GLU   9 -12.359  -9.734   7.307
   56    HG2  GLU   9           HG2      GLU   9 -11.123 -11.734   6.509
   57    HG3  GLU   9           HG3      GLU   9  -9.609 -11.023   7.100
   58    H    GLY  10           H        GLY  10 -10.360  -7.097   4.275
   59    HA2  GLY  10           HA2      GLY  10 -12.923  -5.639   4.650
   60    HA3  GLY  10           HA3      GLY  10 -11.400  -4.842   5.060
   61    H    PHE  11           H        PHE  11 -12.905  -3.630   3.233
   62    HA   PHE  11           HA       PHE  11 -12.125  -4.443   0.522
   63    HB2  PHE  11           HB2      PHE  11 -13.706  -2.021   1.405
   64    HB3  PHE  11           HB3      PHE  11 -13.627  -2.711  -0.212
   65    HD1  PHE  11           HD1      PHE  11 -13.838  -5.683   0.838
   66    HD2  PHE  11           HD2      PHE  11 -16.115  -2.104   1.544
   67    HE1  PHE  11           HE1      PHE  11 -15.837  -7.054   1.328
   68    HE2  PHE  11           HE2      PHE  11 -18.116  -3.481   2.047
   69    HZ   PHE  11           HZ       PHE  11 -17.982  -5.957   1.938
   70    H    VAL  12           H        VAL  12  -9.931  -3.946   2.018
   71    HA   VAL  12           HA       VAL  12  -8.894  -1.373   0.911
   72    HB   VAL  12           HB       VAL  12  -8.349  -2.589   3.657
   73   HG11  VAL  12          HG11      VAL  12  -7.049  -0.520   4.064
   74   HG12  VAL  12          HG12      VAL  12  -6.337  -1.497   2.771
   75   HG13  VAL  12          HG13      VAL  12  -7.282  -0.042   2.367
   76   HG21  VAL  12          HG21      VAL  12  -9.808  -0.040   2.841
   77   HG22  VAL  12          HG22      VAL  12 -10.529  -1.481   3.602
   78   HG23  VAL  12          HG23      VAL  12  -9.373  -0.481   4.508
   79    H    VAL  13           H        VAL  13  -6.686  -1.491   0.259
   80    HA   VAL  13           HA       VAL  13  -5.446  -4.193   0.424
   81    HB   VAL  13           HB       VAL  13  -4.768  -4.067  -1.934
   82   HG11  VAL  13          HG11      VAL  13  -6.913  -4.706  -2.901
   83   HG12  VAL  13          HG12      VAL  13  -6.773  -5.346  -1.249
   84   HG13  VAL  13          HG13      VAL  13  -7.786  -3.918  -1.568
   85   HG21  VAL  13          HG21      VAL  13  -4.934  -1.635  -2.303
   86   HG22  VAL  13          HG22      VAL  13  -5.914  -2.529  -3.483
   87   HG23  VAL  13          HG23      VAL  13  -6.701  -1.715  -2.111
   88    H    LYS  14           H        LYS  14  -3.213  -4.267   0.094
   89    HA   LYS  14           HA       LYS  14  -1.779  -1.835   0.923
   90    HB2  LYS  14           HB2      LYS  14  -0.546  -4.511   0.220
   91    HB3  LYS  14           HB3      LYS  14   0.039  -3.278   1.352
   92    HG2  LYS  14           HG2      LYS  14  -2.013  -3.790   2.785
   93    HG3  LYS  14           HG3      LYS  14  -2.340  -5.150   1.690
   94    HD2  LYS  14           HD2      LYS  14   0.019  -5.985   2.187
   95    HD3  LYS  14           HD3      LYS  14   0.093  -4.743   3.463
   96    HE2  LYS  14           HE2      LYS  14  -2.065  -5.740   4.386
   97    HE3  LYS  14           HE3      LYS  14  -1.880  -7.046   3.205
   98    HZ1  LYS  14           HZ1      LYS  14   0.018  -6.337   5.344
   99    HZ2  LYS  14           HZ2      LYS  14  -0.959  -7.657   5.320
  100    HZ3  LYS  14           HZ3      LYS  14   0.268  -7.529   4.228
  101    H    LEU  15           H        LEU  15   0.119  -1.087  -0.299
  102    HA   LEU  15           HA       LEU  15   0.237  -1.879  -3.153
  103    HB2  LEU  15           HB2      LEU  15  -1.221   0.242  -2.445
  104    HB3  LEU  15           HB3      LEU  15   0.354   1.011  -2.287
  105    HG   LEU  15           HG       LEU  15  -0.489   1.519  -4.418
  106   HD11  LEU  15          HD11      LEU  15   1.406  -0.794  -4.948
  107   HD12  LEU  15          HD12      LEU  15   1.124   0.616  -5.982
  108   HD13  LEU  15          HD13      LEU  15   1.924   0.828  -4.410
  109   HD21  LEU  15          HD21      LEU  15  -2.215  -0.227  -4.554
  110   HD22  LEU  15          HD22      LEU  15  -1.254  -0.181  -6.049
  111   HD23  LEU  15          HD23      LEU  15  -0.964  -1.457  -4.845
  112    H    ARG  16           H        ARG  16   2.354  -2.016  -3.806
  113    HA   ARG  16           HA       ARG  16   4.478  -0.726  -2.176
  114    HB2  ARG  16           HB2      ARG  16   4.471  -3.701  -2.830
  115    HB3  ARG  16           HB3      ARG  16   5.688  -2.796  -1.916
  116    HG2  ARG  16           HG2      ARG  16   3.892  -2.283  -0.204
  117    HG3  ARG  16           HG3      ARG  16   2.826  -3.405  -1.074
  118    HD2  ARG  16           HD2      ARG  16   4.445  -5.219  -0.738
  119    HD3  ARG  16           HD3      ARG  16   5.570  -4.100   0.047
  120    HE   ARG  16           HE       ARG  16   3.314  -3.819   1.569
  121   HH11  ARG  16          HH11      ARG  16   5.152  -6.614   0.479
  122   HH12  ARG  16          HH12      ARG  16   4.772  -7.581   1.885
  123   HH21  ARG  16          HH21      ARG  16   2.845  -5.082   3.429
  124   HH22  ARG  16          HH22      ARG  16   3.473  -6.710   3.550
  125    H    GLY  17           H        GLY  17   6.341  -0.267  -3.391
  126    HA2  GLY  17           HA2      GLY  17   7.645  -1.402  -5.295
  127    HA3  GLY  17           HA3      GLY  17   6.215  -1.048  -6.273
  128    H    LEU  18           H        LEU  18   8.055  -0.103  -7.492
  129    HA   LEU  18           HA       LEU  18   9.091   1.658  -8.414
  130    HB2  LEU  18           HB2      LEU  18   7.167   3.298  -6.716
  131    HB3  LEU  18           HB3      LEU  18   8.095   3.902  -8.086
  132    HG   LEU  18           HG       LEU  18   5.882   1.832  -8.142
  133   HD11  LEU  18          HD11      LEU  18   5.246   4.225  -8.161
  134   HD12  LEU  18          HD12      LEU  18   6.316   4.497  -9.555
  135   HD13  LEU  18          HD13      LEU  18   4.890   3.446  -9.716
  136   HD21  LEU  18          HD21      LEU  18   6.403   1.866 -10.668
  137   HD22  LEU  18          HD22      LEU  18   7.979   2.531 -10.222
  138   HD23  LEU  18          HD23      LEU  18   7.488   0.913  -9.630
  139    HA   PRO  19           HA       PRO  19  12.574   3.248  -6.277
  140    HB2  PRO  19           HB2      PRO  19  11.833   5.939  -7.425
  141    HB3  PRO  19           HB3      PRO  19  13.431   5.121  -7.401
  142    HG2  PRO  19           HG2      PRO  19  11.942   5.057  -9.642
  143    HG3  PRO  19           HG3      PRO  19  12.695   3.532  -9.049
  144    HD2  PRO  19           HD2      PRO  19   9.867   4.522  -8.619
  145    HD3  PRO  19           HD3      PRO  19  10.412   2.907  -9.181
  146    H    TRP  20           H        TRP  20  10.843   2.975  -4.320
  147    HA   TRP  20           HA       TRP  20  10.363   3.572  -2.235
  148    HB2  TRP  20           HB2      TRP  20  12.307   5.831  -2.235
  149    HB3  TRP  20           HB3      TRP  20  12.041   4.569  -1.032
  150    HD1  TRP  20           HD1      TRP  20  14.059   5.495  -4.046
  151    HE1  TRP  20           HE1      TRP  20  15.797   3.731  -4.628
  152    HE3  TRP  20           HE3      TRP  20  12.725   1.891  -0.644
  153    HZ2  TRP  20           HZ2      TRP  20  16.424   1.033  -3.856
  154    HZ3  TRP  20           HZ3      TRP  20  14.062  -0.221  -0.530
  155    HH2  TRP  20           HH2      TRP  20  15.788  -0.686  -2.156
  156    H    SER  21           H        SER  21   9.278   5.434  -4.640
  157    HA   SER  21           HA       SER  21   7.518   6.898  -2.836
  158    HB2  SER  21           HB2      SER  21   8.001   9.112  -3.761
  159    HB3  SER  21           HB3      SER  21   9.448   8.437  -2.985
  160    HG   SER  21           HG       SER  21   9.897   9.345  -5.042
  161    H    CYS  22           H        CYS  22   5.728   7.903  -3.948
  162    HA   CYS  22           HA       CYS  22   5.306   7.594  -6.788
  163    HB2  CYS  22           HB2      CYS  22   3.336   6.054  -6.416
  164    HB3  CYS  22           HB3      CYS  22   4.924   5.289  -6.199
  165    HG   CYS  22           HG       CYS  22   5.017   5.560  -3.616
  166    H    SER  23           H        SER  23   2.645   7.932  -7.006
  167    HA   SER  23           HA       SER  23   1.756   9.883  -4.960
  168    HB2  SER  23           HB2      SER  23   1.175  11.533  -6.637
  169    HB3  SER  23           HB3      SER  23   2.906  11.167  -6.756
  170    HG   SER  23           HG       SER  23   1.901  11.170  -8.806
  171    H    VAL  24           H        VAL  24  -0.579  10.556  -5.407
  172    HA   VAL  24           HA       VAL  24  -2.070   8.133  -5.440
  173    HB   VAL  24           HB       VAL  24  -3.611   9.312  -4.414
  174   HG11  VAL  24          HG11      VAL  24  -1.695  10.554  -3.524
  175   HG12  VAL  24          HG12      VAL  24  -1.836  11.742  -4.851
  176   HG13  VAL  24          HG13      VAL  24  -3.130  11.582  -3.646
  177   HG21  VAL  24          HG21      VAL  24  -3.654  11.332  -6.659
  178   HG22  VAL  24          HG22      VAL  24  -4.749   9.939  -6.405
  179   HG23  VAL  24          HG23      VAL  24  -4.762  11.281  -5.262
  180    H    GLU  25           H        GLU  25  -1.110  10.239  -8.033
  181    HA   GLU  25           HA       GLU  25  -3.376   9.560  -9.748
  182    HB2  GLU  25           HB2      GLU  25  -0.703  10.914 -10.293
  183    HB3  GLU  25           HB3      GLU  25  -2.028  10.747 -11.461
  184    HG2  GLU  25           HG2      GLU  25  -3.530  12.001  -9.930
  185    HG3  GLU  25           HG3      GLU  25  -2.190  12.200  -8.788
  186    H    ASP  26           H        ASP  26  -0.150   8.218  -9.084
  187    HA   ASP  26           HA       ASP  26  -0.150   6.660 -11.573
  188    HB2  ASP  26           HB2      ASP  26   1.600   6.583  -9.082
  189    HB3  ASP  26           HB3      ASP  26   1.868   5.611 -10.536
  190    H    VAL  27           H        VAL  27  -0.937   6.174  -8.118
  191    HA   VAL  27           HA       VAL  27  -1.209   3.318  -8.364
  192    HB   VAL  27           HB       VAL  27  -0.723   4.495  -6.258
  193   HG11  VAL  27          HG11      VAL  27  -2.469   5.656  -5.023
  194   HG12  VAL  27          HG12      VAL  27  -2.188   6.445  -6.589
  195   HG13  VAL  27          HG13      VAL  27  -3.622   5.417  -6.352
  196   HG21  VAL  27          HG21      VAL  27  -1.739   2.228  -6.245
  197   HG22  VAL  27          HG22      VAL  27  -2.187   3.196  -4.821
  198   HG23  VAL  27          HG23      VAL  27  -3.354   2.969  -6.146
  199    H    GLN  28           H        GLN  28  -3.500   6.073  -8.757
  200    HA   GLN  28           HA       GLN  28  -5.750   4.249  -9.010
  201    HB2  GLN  28           HB2      GLN  28  -7.023   6.232  -9.596
  202    HB3  GLN  28           HB3      GLN  28  -6.013   6.540  -8.174
  203    HG2  GLN  28           HG2      GLN  28  -4.336   7.640  -9.664
  204    HG3  GLN  28           HG3      GLN  28  -5.431   7.426 -11.033
  205   HE21  GLN  28          HE21      GLN  28  -5.982   8.444  -7.582
  206   HE22  GLN  28          HE22      GLN  28  -6.786   9.932  -8.001
  207    H    ASN  29           H        ASN  29  -3.348   5.660 -11.196
  208    HA   ASN  29           HA       ASN  29  -4.685   4.918 -13.641
  209    HB2  ASN  29           HB2      ASN  29  -2.960   6.252 -14.259
  210    HB3  ASN  29           HB3      ASN  29  -2.102   5.967 -12.741
  211   HD21  ASN  29          HD21      ASN  29  -0.711   4.146 -12.503
  212   HD22  ASN  29          HD22      ASN  29   0.005   3.391 -13.906
  213    H    PHE  30           H        PHE  30  -2.946   3.164 -11.156
  214    HA   PHE  30           HA       PHE  30  -2.486   0.838 -12.905
  215    HB2  PHE  30           HB2      PHE  30  -0.734   1.707 -11.441
  216    HB3  PHE  30           HB3      PHE  30  -1.752   1.474 -10.029
  217    HD1  PHE  30           HD1      PHE  30   0.054  -0.293 -12.772
  218    HD2  PHE  30           HD2      PHE  30  -1.843  -0.625  -8.934
  219    HE1  PHE  30           HE1      PHE  30   0.937  -2.593 -12.533
  220    HE2  PHE  30           HE2      PHE  30  -1.056  -2.955  -8.733
  221    HZ   PHE  30           HZ       PHE  30   0.366  -3.943 -10.521
  222    H    LEU  31           H        LEU  31  -4.713   1.962 -10.440
  223    HA   LEU  31           HA       LEU  31  -6.090  -0.686 -10.448
  224    HB2  LEU  31           HB2      LEU  31  -6.004   1.611  -8.472
  225    HB3  LEU  31           HB3      LEU  31  -7.376   0.520  -8.520
  226    HG   LEU  31           HG       LEU  31  -6.042  -1.403  -7.972
  227   HD11  LEU  31          HD11      LEU  31  -3.983  -0.996  -9.127
  228   HD12  LEU  31          HD12      LEU  31  -3.647   0.450  -8.128
  229   HD13  LEU  31          HD13      LEU  31  -3.639  -1.174  -7.399
  230   HD21  LEU  31          HD21      LEU  31  -5.305   1.013  -6.274
  231   HD22  LEU  31          HD22      LEU  31  -6.822   0.090  -6.152
  232   HD23  LEU  31          HD23      LEU  31  -5.275  -0.684  -5.735
  233    H    SER  32           H        SER  32  -6.277   0.468 -12.761
  234    HA   SER  32           HA       SER  32  -7.983   2.670 -13.146
  235    HB2  SER  32           HB2      SER  32  -7.919   1.926 -15.513
  236    HB3  SER  32           HB3      SER  32  -6.319   1.931 -14.743
  237    HG   SER  32           HG       SER  32  -6.734   0.010 -15.940
  238    H    ASP  33           H        ASP  33  -9.090  -0.059 -11.762
  239    HA   ASP  33           HA       ASP  33 -11.763   0.241 -13.060
  240    HB2  ASP  33           HB2      ASP  33 -10.518  -2.345 -12.053
  241    HB3  ASP  33           HB3      ASP  33 -12.143  -2.162 -12.722
  242    H    CYS  34           H        CYS  34  -9.973   0.731 -10.315
  243    HA   CYS  34           HA       CYS  34 -11.961  -0.185  -8.347
  244    HB2  CYS  34           HB2      CYS  34  -9.270   1.224  -8.190
  245    HB3  CYS  34           HB3      CYS  34 -10.230   0.792  -6.766
  246    HG   CYS  34           HG       CYS  34  -9.242  -1.218  -9.195
  247    H    THR  35           H        THR  35 -12.114   1.617  -6.472
  248    HA   THR  35           HA       THR  35 -13.060   4.137  -7.744
  249    HB   THR  35           HB       THR  35 -14.385   2.277  -5.761
  250    HG1  THR  35           HG1      THR  35 -16.090   2.564  -7.208
  251   HG21  THR  35          HG21      THR  35 -16.101   4.028  -5.357
  252   HG22  THR  35          HG22      THR  35 -14.515   4.413  -4.662
  253   HG23  THR  35          HG23      THR  35 -15.043   5.214  -6.167
  254    H    ILE  36           H        ILE  36 -11.225   2.639  -5.343
  255    HA   ILE  36           HA       ILE  36  -9.795   3.415  -3.748
  256    HB   ILE  36           HB       ILE  36  -9.847   5.768  -5.627
  257   HG12  ILE  36          HG12      ILE  36  -7.652   3.737  -5.592
  258   HG13  ILE  36          HG13      ILE  36  -9.215   3.177  -6.208
  259   HG21  ILE  36          HG21      ILE  36  -7.905   4.995  -3.428
  260   HG22  ILE  36          HG22      ILE  36  -7.413   6.008  -4.812
  261   HG23  ILE  36          HG23      ILE  36  -8.667   6.577  -3.704
  262   HD11  ILE  36          HD11      ILE  36  -7.793   5.677  -7.167
  263   HD12  ILE  36          HD12      ILE  36  -7.830   4.108  -8.016
  264   HD13  ILE  36          HD13      ILE  36  -9.337   5.025  -7.776
  265    H    HIS  37           H        HIS  37 -12.675   3.858  -3.369
  266    HA   HIS  37           HA       HIS  37 -14.093   4.671  -1.833
  267    HB2  HIS  37           HB2      HIS  37 -12.093   3.968  -0.439
  268    HB3  HIS  37           HB3      HIS  37 -11.701   5.679  -0.312
  269    HD1  HIS  37           HD1      HIS  37 -13.995   3.043   1.099
  270    HD2  HIS  37           HD2      HIS  37 -13.623   7.224   1.038
  271    HE1  HIS  37           HE1      HIS  37 -15.515   3.934   2.949
  272    H    ASP  38           H        ASP  38 -11.897   6.936  -3.281
  273    HA   ASP  38           HA       ASP  38 -13.964   9.025  -3.266
  274    HB2  ASP  38           HB2      ASP  38 -11.245   9.358  -1.954
  275    HB3  ASP  38           HB3      ASP  38 -12.219  10.716  -2.533
  276    H    GLY  39           H        GLY  39 -10.823   7.729  -4.332
  277    HA2  GLY  39           HA2      GLY  39 -10.199   7.679  -6.599
  278    HA3  GLY  39           HA3      GLY  39 -11.240   9.083  -6.921
  279    H    ALA  40           H        ALA  40  -9.669   9.818  -4.196
  280    HA   ALA  40           HA       ALA  40  -7.003  10.482  -4.975
  281    HB1  ALA  40           HB1      ALA  40  -7.300  12.952  -5.132
  282    HB2  ALA  40           HB2      ALA  40  -8.176  12.124  -6.438
  283    HB3  ALA  40           HB3      ALA  40  -9.062  12.737  -5.022
  284    H    ALA  41           H        ALA  41  -9.336   9.903  -2.744
  285    HA   ALA  41           HA       ALA  41  -7.815  11.289  -0.603
  286    HB1  ALA  41           HB1      ALA  41  -9.899  11.967   0.491
  287    HB2  ALA  41           HB2      ALA  41  -9.796  12.656  -1.143
  288    HB3  ALA  41           HB3      ALA  41 -10.848  11.259  -0.830
  289    H    GLY  42           H        GLY  42  -8.287   8.422  -1.756
  290    HA2  GLY  42           HA2      GLY  42  -8.691   7.133   0.913
  291    HA3  GLY  42           HA3      GLY  42  -9.128   6.376  -0.639
  292    H    VAL  43           H        VAL  43  -6.447   8.159  -1.279
  293    HA   VAL  43           HA       VAL  43  -4.625   5.944  -1.421
  294    HB   VAL  43           HB       VAL  43  -4.714   7.997  -2.951
  295   HG11  VAL  43          HG11      VAL  43  -3.354   9.364  -0.595
  296   HG12  VAL  43          HG12      VAL  43  -3.653  10.042  -2.205
  297   HG13  VAL  43          HG13      VAL  43  -5.022   9.676  -1.146
  298   HG21  VAL  43          HG21      VAL  43  -2.046   7.476  -1.588
  299   HG22  VAL  43          HG22      VAL  43  -2.774   6.459  -2.857
  300   HG23  VAL  43          HG23      VAL  43  -2.308   8.135  -3.211
  301    H    HIS  44           H        HIS  44  -2.604   5.723  -0.245
  302    HA   HIS  44           HA       HIS  44  -2.121   7.468   2.079
  303    HB2  HIS  44           HB2      HIS  44  -2.616   4.475   2.260
  304    HB3  HIS  44           HB3      HIS  44  -1.732   5.391   3.481
  305    HD1  HIS  44           HD1      HIS  44  -3.263   7.432   4.706
  306    HD2  HIS  44           HD2      HIS  44  -5.201   4.392   2.552
  307    HE1  HIS  44           HE1      HIS  44  -5.700   7.451   5.459
  308    H    PHE  45           H        PHE  45   0.072   7.369   2.770
  309    HA   PHE  45           HA       PHE  45   1.919   5.523   1.396
  310    HB2  PHE  45           HB2      PHE  45   2.199   8.554   1.346
  311    HB3  PHE  45           HB3      PHE  45   3.379   7.390   0.751
  312    HD1  PHE  45           HD1      PHE  45   2.242   5.596  -0.988
  313    HD2  PHE  45           HD2      PHE  45   0.984   9.646  -0.294
  314    HE1  PHE  45           HE1      PHE  45   1.133   5.627  -3.204
  315    HE2  PHE  45           HE2      PHE  45  -0.077   9.695  -2.530
  316    HZ   PHE  45           HZ       PHE  45  -0.028   7.673  -3.979
  317    H    ILE  46           H        ILE  46   4.062   5.539   2.435
  318    HA   ILE  46           HA       ILE  46   4.138   6.837   5.093
  319    HB   ILE  46           HB       ILE  46   4.735   3.876   4.698
  320   HG12  ILE  46          HG12      ILE  46   2.784   3.825   6.496
  321   HG13  ILE  46          HG13      ILE  46   2.282   5.325   5.716
  322   HG21  ILE  46          HG21      ILE  46   4.611   5.687   7.145
  323   HG22  ILE  46          HG22      ILE  46   4.929   3.940   7.172
  324   HG23  ILE  46          HG23      ILE  46   6.097   5.037   6.410
  325   HD11  ILE  46          HD11      ILE  46   2.688   2.593   4.423
  326   HD12  ILE  46          HD12      ILE  46   1.134   3.356   4.769
  327   HD13  ILE  46          HD13      ILE  46   2.193   4.059   3.536
  328    H    TYR  47           H        TYR  47   5.602   8.272   4.114
  329    HA   TYR  47           HA       TYR  47   8.374   7.310   4.256
  330    HB2  TYR  47           HB2      TYR  47   9.043   8.306   2.180
  331    HB3  TYR  47           HB3      TYR  47   7.780   7.116   1.857
  332    HD1  TYR  47           HD1      TYR  47   5.412   7.943   1.421
  333    HD2  TYR  47           HD2      TYR  47   8.815  10.563   1.536
  334    HE1  TYR  47           HE1      TYR  47   4.112   9.678   0.200
  335    HE2  TYR  47           HE2      TYR  47   7.525  12.305   0.329
  336    HH   TYR  47           HH       TYR  47   4.126  11.788  -0.694
  337    H    THR  48           H        THR  48   9.775   9.563   3.785
  338    HA   THR  48           HA       THR  48   8.300  11.818   5.040
  339    HB   THR  48           HB       THR  48  10.315  12.293   6.447
  340    HG1  THR  48           HG1      THR  48  11.704  10.516   6.809
  341   HG21  THR  48          HG21      THR  48   8.942   9.637   7.000
  342   HG22  THR  48          HG22      THR  48   9.731  10.696   8.192
  343   HG23  THR  48          HG23      THR  48   8.268  11.250   7.346
  344    H    ARG  49           H        ARG  49   9.424  13.826   4.964
  345    HA   ARG  49           HA       ARG  49  10.265  14.400   2.278
  346    HB2  ARG  49           HB2      ARG  49  10.221  16.745   3.139
  347    HB3  ARG  49           HB3      ARG  49   8.740  15.819   3.410
  348    HG2  ARG  49           HG2      ARG  49   9.173  17.121   5.364
  349    HG3  ARG  49           HG3      ARG  49   9.402  15.413   5.766
  350    HD2  ARG  49           HD2      ARG  49  11.811  15.665   5.701
  351    HD3  ARG  49           HD3      ARG  49  11.675  17.321   5.079
  352    HE   ARG  49           HE       ARG  49  11.283  16.395   7.841
  353   HH11  ARG  49          HH11      ARG  49  10.822  19.031   5.528
  354   HH12  ARG  49          HH12      ARG  49  10.657  20.248   6.774
  355   HH21  ARG  49          HH21      ARG  49  11.062  18.002   9.438
  356   HH22  ARG  49          HH22      ARG  49  10.794  19.666   8.977
  357    H    GLU  50           H        GLU  50  12.136  13.028   4.555
  358    HA   GLU  50           HA       GLU  50  14.555  14.301   3.492
  359    HB2  GLU  50           HB2      GLU  50  13.902  15.543   5.558
  360    HB3  GLU  50           HB3      GLU  50  14.074  14.042   6.494
  361    HG2  GLU  50           HG2      GLU  50  16.423  13.982   6.121
  362    HG3  GLU  50           HG3      GLU  50  16.271  15.009   4.682
  363    H    GLY  51           H        GLY  51  13.054  11.677   3.317
  364    HA2  GLY  51           HA2      GLY  51  15.377   9.930   3.765
  365    HA3  GLY  51           HA3      GLY  51  13.901   9.540   4.666
  366    H    ARG  52           H        ARG  52  13.057   7.843   3.723
  367    HA   ARG  52           HA       ARG  52  12.225   7.897   0.917
  368    HB2  ARG  52           HB2      ARG  52  13.339   5.881   0.272
  369    HB3  ARG  52           HB3      ARG  52  14.567   7.008   0.822
  370    HG2  ARG  52           HG2      ARG  52  13.431   4.691   2.447
  371    HG3  ARG  52           HG3      ARG  52  14.948   4.684   1.551
  372    HD2  ARG  52           HD2      ARG  52  14.308   6.416   3.960
  373    HD3  ARG  52           HD3      ARG  52  15.397   5.023   3.899
  374    HE   ARG  52           HE       ARG  52  16.310   6.826   1.947
  375   HH11  ARG  52          HH11      ARG  52  15.935   6.724   5.462
  376   HH12  ARG  52          HH12      ARG  52  17.260   7.825   5.752
  377   HH21  ARG  52          HH21      ARG  52  18.038   8.255   2.356
  378   HH22  ARG  52          HH22      ARG  52  18.449   8.687   4.000
  379    H    GLN  53           H        GLN  53  11.333   5.364   0.582
  380    HA   GLN  53           HA       GLN  53   8.971   5.257   2.035
  381    HB2  GLN  53           HB2      GLN  53   9.825   3.984  -0.111
  382    HB3  GLN  53           HB3      GLN  53  10.311   2.733   1.045
  383    HG2  GLN  53           HG2      GLN  53   8.106   2.174   0.289
  384    HG3  GLN  53           HG3      GLN  53   7.907   2.813   1.929
  385   HE21  GLN  53          HE21      GLN  53   6.641   4.676   2.227
  386   HE22  GLN  53          HE22      GLN  53   5.928   5.573   0.907
  387    H    SER  54           H        SER  54   8.284   4.314   3.940
  388    HA   SER  54           HA       SER  54  10.233   2.806   5.583
  389    HB2  SER  54           HB2      SER  54   8.790   5.338   6.470
  390    HB3  SER  54           HB3      SER  54   9.751   4.274   7.521
  391    HG   SER  54           HG       SER  54  10.691   5.702   5.249
  392    H    GLY  55           H        GLY  55   7.542   2.420   4.102
  393    HA2  GLY  55           HA2      GLY  55   6.464   0.496   5.834
  394    HA3  GLY  55           HA3      GLY  55   5.525   1.982   6.075
  395    H    GLU  56           H        GLU  56   6.890   1.445   2.880
  396    HA   GLU  56           HA       GLU  56   5.827   1.470   0.870
  397    HB2  GLU  56           HB2      GLU  56   4.215  -0.762   2.137
  398    HB3  GLU  56           HB3      GLU  56   4.384  -0.416   0.407
  399    HG2  GLU  56           HG2      GLU  56   6.631  -1.181   2.303
  400    HG3  GLU  56           HG3      GLU  56   5.895  -2.228   1.090
  401    H    ALA  57           H        ALA  57   2.778   0.515   0.849
  402    HA   ALA  57           HA       ALA  57   1.537   3.011   1.787
  403    HB1  ALA  57           HB1      ALA  57   2.563   3.628  -0.363
  404    HB2  ALA  57           HB2      ALA  57   1.795   2.238  -1.156
  405    HB3  ALA  57           HB3      ALA  57   0.793   3.568  -0.543
  406    H    PHE  58           H        PHE  58  -0.841   3.054   0.840
  407    HA   PHE  58           HA       PHE  58  -2.038   0.367   0.567
  408    HB2  PHE  58           HB2      PHE  58  -2.887   2.340   2.720
  409    HB3  PHE  58           HB3      PHE  58  -3.650   0.803   2.374
  410    HD1  PHE  58           HD1      PHE  58  -2.557  -1.335   3.025
  411    HD2  PHE  58           HD2      PHE  58  -0.847   2.497   3.956
  412    HE1  PHE  58           HE1      PHE  58  -1.093  -2.402   4.731
  413    HE2  PHE  58           HE2      PHE  58   0.587   1.453   5.656
  414    HZ   PHE  58           HZ       PHE  58   0.483  -1.016   6.049
  415    H    VAL  59           H        VAL  59  -4.443   0.589   0.221
  416    HA   VAL  59           HA       VAL  59  -5.354   3.207  -0.797
  417    HB   VAL  59           HB       VAL  59  -5.430   0.656  -2.469
  418   HG11  VAL  59          HG11      VAL  59  -7.378   2.145  -2.786
  419   HG12  VAL  59          HG12      VAL  59  -6.279   3.516  -3.075
  420   HG13  VAL  59          HG13      VAL  59  -6.327   2.155  -4.216
  421   HG21  VAL  59          HG21      VAL  59  -3.152   1.590  -2.485
  422   HG22  VAL  59          HG22      VAL  59  -3.954   1.860  -4.039
  423   HG23  VAL  59          HG23      VAL  59  -3.804   3.199  -2.879
  424    H    GLU  60           H        GLU  60  -7.233   3.479   0.340
  425    HA   GLU  60           HA       GLU  60  -8.865   1.184   1.138
  426    HB2  GLU  60           HB2      GLU  60  -9.439   4.183   1.167
  427    HB3  GLU  60           HB3      GLU  60 -10.440   2.928   1.921
  428    HG2  GLU  60           HG2      GLU  60  -8.466   2.259   3.324
  429    HG3  GLU  60           HG3      GLU  60  -7.575   3.643   2.664
  430    H    LEU  61           H        LEU  61 -10.991   0.712   0.288
  431    HA   LEU  61           HA       LEU  61 -11.539   1.956  -2.373
  432    HB2  LEU  61           HB2      LEU  61 -12.044  -0.952  -1.772
  433    HB3  LEU  61           HB3      LEU  61 -12.033  -0.146  -3.332
  434    HG   LEU  61           HG       LEU  61  -9.502  -0.368  -1.649
  435   HD11  LEU  61          HD11      LEU  61 -10.446  -2.611  -2.102
  436   HD12  LEU  61          HD12      LEU  61 -10.475  -2.216  -3.839
  437   HD13  LEU  61          HD13      LEU  61  -8.923  -2.319  -2.981
  438   HD21  LEU  61          HD21      LEU  61  -8.418  -0.033  -3.838
  439   HD22  LEU  61          HD22      LEU  61 -10.004   0.008  -4.639
  440   HD23  LEU  61          HD23      LEU  61  -9.540   1.307  -3.513
  441    H    GLY  62           H        GLY  62 -13.881   0.710  -3.018
  442    HA2  GLY  62           HA2      GLY  62 -15.659   1.869  -0.929
  443    HA3  GLY  62           HA3      GLY  62 -15.969   1.775  -2.671
  444    H    SER  63           H        SER  63 -14.996  -1.176  -2.684
  445    HA   SER  63           HA       SER  63 -17.000  -2.480  -0.986
  446    HB2  SER  63           HB2      SER  63 -18.188  -1.552  -3.116
  447    HB3  SER  63           HB3      SER  63 -17.296  -2.834  -3.976
  448    HG   SER  63           HG       SER  63 -19.130  -3.125  -1.829
  449    H    GLU  64           H        GLU  64 -17.137  -4.868  -1.540
  450    HA   GLU  64           HA       GLU  64 -14.618  -6.154  -1.531
  451    HB2  GLU  64           HB2      GLU  64 -16.693  -7.164  -0.683
  452    HB3  GLU  64           HB3      GLU  64 -17.423  -7.071  -2.288
  453    HG2  GLU  64           HG2      GLU  64 -15.794  -8.687  -3.162
  454    HG3  GLU  64           HG3      GLU  64 -14.947  -8.708  -1.599
  455    H    ASP  65           H        ASP  65 -16.749  -5.141  -4.213
  456    HA   ASP  65           HA       ASP  65 -15.517  -6.841  -6.160
  457    HB2  ASP  65           HB2      ASP  65 -17.765  -5.750  -6.352
  458    HB3  ASP  65           HB3      ASP  65 -16.963  -4.182  -6.532
  459    H    ASP  66           H        ASP  66 -14.682  -3.651  -4.809
  460    HA   ASP  66           HA       ASP  66 -12.793  -2.996  -6.919
  461    HB2  ASP  66           HB2      ASP  66 -13.207  -1.944  -4.092
  462    HB3  ASP  66           HB3      ASP  66 -12.122  -1.229  -5.289
  463    H    VAL  67           H        VAL  67 -12.590  -4.501  -3.634
  464    HA   VAL  67           HA       VAL  67  -9.707  -4.498  -3.650
  465    HB   VAL  67           HB       VAL  67 -10.638  -4.674  -1.528
  466   HG11  VAL  67          HG11      VAL  67 -12.241  -6.319  -0.771
  467   HG12  VAL  67          HG12      VAL  67 -12.891  -5.321  -2.080
  468   HG13  VAL  67          HG13      VAL  67 -12.348  -6.997  -2.410
  469   HG21  VAL  67          HG21      VAL  67  -9.970  -7.561  -2.181
  470   HG22  VAL  67          HG22      VAL  67  -8.752  -6.291  -1.911
  471   HG23  VAL  67          HG23      VAL  67  -9.863  -6.759  -0.601
  472    H    LYS  68           H        LYS  68 -12.189  -6.868  -4.718
  473    HA   LYS  68           HA       LYS  68 -10.343  -8.929  -5.353
  474    HB2  LYS  68           HB2      LYS  68 -13.063  -8.127  -6.451
  475    HB3  LYS  68           HB3      LYS  68 -12.213  -9.607  -6.945
  476    HG2  LYS  68           HG2      LYS  68 -12.199 -10.457  -4.684
  477    HG3  LYS  68           HG3      LYS  68 -12.770  -8.919  -4.033
  478    HD2  LYS  68           HD2      LYS  68 -14.607 -10.528  -4.102
  479    HD3  LYS  68           HD3      LYS  68 -14.916  -9.172  -5.198
  480    HE2  LYS  68           HE2      LYS  68 -15.562 -11.228  -6.276
  481    HE3  LYS  68           HE3      LYS  68 -14.154 -10.554  -7.115
  482    HZ1  LYS  68           HZ1      LYS  68 -12.778 -12.115  -5.898
  483    HZ2  LYS  68           HZ2      LYS  68 -14.094 -12.729  -5.124
  484    HZ3  LYS  68           HZ3      LYS  68 -13.937 -12.913  -6.749
  485    H    MET  69           H        MET  69 -11.537  -6.119  -7.276
  486    HA   MET  69           HA       MET  69 -10.143  -6.878  -9.669
  487    HB2  MET  69           HB2      MET  69 -11.422  -4.326  -8.655
  488    HB3  MET  69           HB3      MET  69 -10.547  -4.379 -10.190
  489    HG2  MET  69           HG2      MET  69 -11.966  -6.349 -10.861
  490    HG3  MET  69           HG3      MET  69 -12.943  -6.081  -9.418
  491    HE1  MET  69           HE1      MET  69 -12.871  -2.800  -9.372
  492    HE2  MET  69           HE2      MET  69 -14.433  -2.494 -10.164
  493    HE3  MET  69           HE3      MET  69 -14.289  -3.806  -8.975
  494    H    ALA  70           H        ALA  70  -9.142  -5.044  -6.780
  495    HA   ALA  70           HA       ALA  70  -6.793  -3.904  -8.031
  496    HB1  ALA  70           HB1      ALA  70  -6.166  -3.365  -5.724
  497    HB2  ALA  70           HB2      ALA  70  -7.877  -2.983  -5.999
  498    HB3  ALA  70           HB3      ALA  70  -7.433  -4.453  -5.104
  499    H    LEU  71           H        LEU  71  -7.564  -7.016  -6.525
  500    HA   LEU  71           HA       LEU  71  -4.782  -7.821  -6.235
  501    HB2  LEU  71           HB2      LEU  71  -7.410  -9.334  -6.066
  502    HB3  LEU  71           HB3      LEU  71  -5.829  -9.999  -5.621
  503    HG   LEU  71           HG       LEU  71  -7.003  -7.482  -4.372
  504   HD11  LEU  71          HD11      LEU  71  -6.994 -10.330  -3.318
  505   HD12  LEU  71          HD12      LEU  71  -7.558  -8.883  -2.439
  506   HD13  LEU  71          HD13      LEU  71  -8.424  -9.433  -3.892
  507   HD21  LEU  71          HD21      LEU  71  -5.334  -7.883  -2.636
  508   HD22  LEU  71          HD22      LEU  71  -4.695  -9.268  -3.559
  509   HD23  LEU  71          HD23      LEU  71  -4.588  -7.614  -4.225
  510    H    LYS  72           H        LYS  72  -7.070  -7.754  -8.839
  511    HA   LYS  72           HA       LYS  72  -6.061  -9.988 -10.339
  512    HB2  LYS  72           HB2      LYS  72  -7.368  -7.428 -11.319
  513    HB3  LYS  72           HB3      LYS  72  -7.136  -8.900 -12.274
  514    HG2  LYS  72           HG2      LYS  72  -8.824  -8.647  -9.767
  515    HG3  LYS  72           HG3      LYS  72  -9.435  -8.773 -11.420
  516    HD2  LYS  72           HD2      LYS  72  -8.532 -11.036 -11.630
  517    HD3  LYS  72           HD3      LYS  72  -7.774 -10.923 -10.023
  518    HE2  LYS  72           HE2      LYS  72  -9.942 -10.651  -8.957
  519    HE3  LYS  72           HE3      LYS  72 -10.755 -10.695 -10.536
  520    HZ1  LYS  72           HZ1      LYS  72  -9.930 -12.932 -10.828
  521    HZ2  LYS  72           HZ2      LYS  72  -9.182 -12.893  -9.363
  522    HZ3  LYS  72           HZ3      LYS  72 -10.821 -12.828  -9.450
  523    H    LYS  73           H        LYS  73  -4.463  -7.067  -9.556
  524    HA   LYS  73           HA       LYS  73  -2.505  -7.634 -11.699
  525    HB2  LYS  73           HB2      LYS  73  -2.192  -5.288 -12.154
  526    HB3  LYS  73           HB3      LYS  73  -3.888  -5.694 -12.425
  527    HG2  LYS  73           HG2      LYS  73  -2.957  -4.604  -9.744
  528    HG3  LYS  73           HG3      LYS  73  -3.149  -3.534 -11.119
  529    HD2  LYS  73           HD2      LYS  73  -5.329  -5.270  -9.907
  530    HD3  LYS  73           HD3      LYS  73  -5.142  -3.530  -9.715
  531    HE2  LYS  73           HE2      LYS  73  -5.865  -5.070 -12.232
  532    HE3  LYS  73           HE3      LYS  73  -6.838  -3.872 -11.364
  533    HZ1  LYS  73           HZ1      LYS  73  -5.894  -2.910 -13.305
  534    HZ2  LYS  73           HZ2      LYS  73  -5.173  -2.217 -11.995
  535    HZ3  LYS  73           HZ3      LYS  73  -4.368  -3.343 -12.874
  536    H    ASP  74           H        ASP  74  -2.798  -8.287  -8.902
  537    HA   ASP  74           HA       ASP  74  -1.360  -6.868  -7.068
  538    HB2  ASP  74           HB2      ASP  74  -1.179  -8.939  -5.867
  539    HB3  ASP  74           HB3      ASP  74  -2.731  -8.888  -6.707
  540    H    ARG  75           H        ARG  75   0.218  -7.963  -9.904
  541    HA   ARG  75           HA       ARG  75   2.772  -7.375  -8.596
  542    HB2  ARG  75           HB2      ARG  75   2.115  -9.893  -8.444
  543    HB3  ARG  75           HB3      ARG  75   2.577  -9.942 -10.165
  544    HG2  ARG  75           HG2      ARG  75   4.847  -9.113  -9.540
  545    HG3  ARG  75           HG3      ARG  75   4.297  -8.978  -7.846
  546    HD2  ARG  75           HD2      ARG  75   5.417 -11.068  -7.975
  547    HD3  ARG  75           HD3      ARG  75   3.668 -11.407  -7.953
  548    HE   ARG  75           HE       ARG  75   4.331 -11.269 -10.646
  549   HH11  ARG  75          HH11      ARG  75   5.405 -13.179  -7.881
  550   HH12  ARG  75          HH12      ARG  75   5.804 -14.583  -8.846
  551   HH21  ARG  75          HH21      ARG  75   4.854 -13.115 -11.892
  552   HH22  ARG  75          HH22      ARG  75   5.494 -14.542 -11.114
  553    H    GLU  76           H        GLU  76   0.934  -6.357 -10.912
  554    HA   GLU  76           HA       GLU  76   2.447  -6.808 -13.326
  555    HB2  GLU  76           HB2      GLU  76   0.469  -4.607 -12.680
  556    HB3  GLU  76           HB3      GLU  76   1.077  -5.041 -14.289
  557    HG2  GLU  76           HG2      GLU  76  -0.637  -6.677 -12.436
  558    HG3  GLU  76           HG3      GLU  76  -1.060  -6.051 -14.036
  559    H    SER  77           H        SER  77   2.588  -4.196 -14.365
  560    HA   SER  77           HA       SER  77   4.757  -2.877 -12.827
  561    HB2  SER  77           HB2      SER  77   5.788  -4.688 -14.179
  562    HB3  SER  77           HB3      SER  77   5.095  -3.966 -15.647
  563    HG   SER  77           HG       SER  77   7.274  -3.328 -15.227
  564    H    MET  78           H        MET  78   5.641  -1.001 -14.362
  565    HA   MET  78           HA       MET  78   3.317   0.333 -15.681
  566    HB2  MET  78           HB2      MET  78   5.374   1.488 -13.766
  567    HB3  MET  78           HB3      MET  78   4.368   2.487 -14.827
  568    HG2  MET  78           HG2      MET  78   2.331   1.565 -13.819
  569    HG3  MET  78           HG3      MET  78   3.307   0.555 -12.742
  570    HE1  MET  78           HE1      MET  78   1.710   3.325 -10.386
  571    HE2  MET  78           HE2      MET  78   0.968   2.718 -11.881
  572    HE3  MET  78           HE3      MET  78   1.787   1.588 -10.775
  573    H    GLY  79           H        GLY  79   6.507  -0.856 -16.038
  574    HA2  GLY  79           HA2      GLY  79   7.139  -0.890 -18.439
  575    HA3  GLY  79           HA3      GLY  79   6.831   0.851 -18.475
  576    H    HIS  80           H        HIS  80   8.242   0.375 -15.496
  577    HA   HIS  80           HA       HIS  80  11.021   0.318 -16.500
  578    HB2  HIS  80           HB2      HIS  80  10.256   2.667 -16.692
  579    HB3  HIS  80           HB3      HIS  80   9.826   2.666 -14.976
  580    HD1  HIS  80           HD1      HIS  80  11.652   4.104 -13.809
  581    HD2  HIS  80           HD2      HIS  80  13.121   1.478 -16.741
  582    HE1  HIS  80           HE1      HIS  80  14.195   4.325 -13.773
  583    H    ARG  81           H        ARG  81   8.669   0.015 -13.913
  584    HA   ARG  81           HA       ARG  81  10.543  -1.600 -12.386
  585    HB2  ARG  81           HB2      ARG  81  11.010   0.800 -11.680
  586    HB3  ARG  81           HB3      ARG  81   9.334   0.901 -11.123
  587    HG2  ARG  81           HG2      ARG  81  10.812   0.412  -9.245
  588    HG3  ARG  81           HG3      ARG  81   9.777  -0.992  -9.563
  589    HD2  ARG  81           HD2      ARG  81  11.636  -2.074 -10.807
  590    HD3  ARG  81           HD3      ARG  81  12.643  -0.640 -10.528
  591    HE   ARG  81           HE       ARG  81  11.557  -2.009  -8.143
  592   HH11  ARG  81          HH11      ARG  81  14.314  -1.469 -10.298
  593   HH12  ARG  81          HH12      ARG  81  15.480  -2.088  -9.155
  594   HH21  ARG  81          HH21      ARG  81  13.106  -2.835  -6.685
  595   HH22  ARG  81          HH22      ARG  81  14.804  -2.832  -7.106
  596    H    TYR  82           H        TYR  82   9.339  -2.839 -10.673
  597    HA   TYR  82           HA       TYR  82   6.615  -3.170 -11.715
  598    HB2  TYR  82           HB2      TYR  82   6.746  -5.307 -11.453
  599    HB3  TYR  82           HB3      TYR  82   8.464  -5.002 -11.497
  600    HD1  TYR  82           HD1      TYR  82   9.782  -5.070  -9.228
  601    HD2  TYR  82           HD2      TYR  82   5.657  -6.316  -9.643
  602    HE1  TYR  82           HE1      TYR  82  10.004  -6.514  -7.255
  603    HE2  TYR  82           HE2      TYR  82   5.875  -7.688  -7.594
  604    HH   TYR  82           HH       TYR  82   7.262  -8.401  -5.926
  605    H    ILE  83           H        ILE  83   4.864  -3.848 -10.377
  606    HA   ILE  83           HA       ILE  83   4.720  -2.160  -7.930
  607    HB   ILE  83           HB       ILE  83   2.381  -2.620  -9.774
  608   HG12  ILE  83          HG12      ILE  83   4.058  -1.667 -11.271
  609   HG13  ILE  83          HG13      ILE  83   2.712  -0.572 -10.972
  610   HG21  ILE  83          HG21      ILE  83   1.652  -0.428  -8.799
  611   HG22  ILE  83          HG22      ILE  83   1.883  -1.690  -7.580
  612   HG23  ILE  83          HG23      ILE  83   3.116  -0.429  -7.789
  613   HD11  ILE  83          HD11      ILE  83   4.065   0.749  -9.413
  614   HD12  ILE  83          HD12      ILE  83   5.423  -0.387  -9.602
  615   HD13  ILE  83          HD13      ILE  83   4.882   0.582 -10.983
  616    H    GLU  84           H        GLU  84   2.897  -2.901  -6.495
  617    HA   GLU  84           HA       GLU  84   2.000  -5.672  -6.982
  618    HB2  GLU  84           HB2      GLU  84   3.901  -4.737  -4.845
  619    HB3  GLU  84           HB3      GLU  84   2.728  -6.017  -4.465
  620    HG2  GLU  84           HG2      GLU  84   3.544  -7.315  -6.435
  621    HG3  GLU  84           HG3      GLU  84   4.769  -6.062  -6.711
  622    H    VAL  85           H        VAL  85   0.356  -6.355  -5.579
  623    HA   VAL  85           HA       VAL  85  -0.895  -4.324  -3.833
  624    HB   VAL  85           HB       VAL  85  -2.565  -6.007  -5.733
  625   HG11  VAL  85          HG11      VAL  85  -3.677  -5.087  -3.742
  626   HG12  VAL  85          HG12      VAL  85  -3.108  -3.454  -4.168
  627   HG13  VAL  85          HG13      VAL  85  -4.265  -4.300  -5.216
  628   HG21  VAL  85          HG21      VAL  85  -1.595  -3.162  -6.191
  629   HG22  VAL  85          HG22      VAL  85  -1.207  -4.588  -7.191
  630   HG23  VAL  85          HG23      VAL  85  -2.869  -3.977  -7.130
  631    H    PHE  86           H        PHE  86  -2.173  -5.368  -2.171
  632    HA   PHE  86           HA       PHE  86  -2.285  -8.301  -2.137
  633    HB2  PHE  86           HB2      PHE  86   0.018  -7.606  -1.367
  634    HB3  PHE  86           HB3      PHE  86  -0.732  -6.803   0.003
  635    HD1  PHE  86           HD1      PHE  86  -1.876  -8.163   1.726
  636    HD2  PHE  86           HD2      PHE  86   0.358 -10.013  -1.462
  637    HE1  PHE  86           HE1      PHE  86  -1.747 -10.255   3.040
  638    HE2  PHE  86           HE2      PHE  86   0.487 -12.089  -0.151
  639    HZ   PHE  86           HZ       PHE  86  -0.566 -12.236   2.096
  640    H    LYS  87           H        LYS  87  -3.776  -9.039  -0.467
  641    HA   LYS  87           HA       LYS  87  -5.863  -7.079  -0.166
  642    HB2  LYS  87           HB2      LYS  87  -6.038  -9.591  -0.613
  643    HB3  LYS  87           HB3      LYS  87  -5.800  -9.823   1.130
  644    HG2  LYS  87           HG2      LYS  87  -7.755  -8.341   1.547
  645    HG3  LYS  87           HG3      LYS  87  -7.929  -8.102  -0.207
  646    HD2  LYS  87           HD2      LYS  87  -8.191 -10.606  -0.440
  647    HD3  LYS  87           HD3      LYS  87  -8.267 -10.713   1.329
  648    HE2  LYS  87           HE2      LYS  87 -10.139  -9.095  -0.459
  649    HE3  LYS  87           HE3      LYS  87 -10.517 -10.663   0.276
  650    HZ1  LYS  87           HZ1      LYS  87 -10.257  -9.650   2.431
  651    HZ2  LYS  87           HZ2      LYS  87  -9.933  -8.181   1.749
  652    HZ3  LYS  87           HZ3      LYS  87 -11.415  -8.869   1.560
  653    H    SER  88           H        SER  88  -6.817  -6.316   1.773
  654    HA   SER  88           HA       SER  88  -5.113  -6.441   4.200
  655    HB2  SER  88           HB2      SER  88  -4.367  -4.534   2.741
  656    HB3  SER  88           HB3      SER  88  -5.975  -3.810   2.962
  657    HG   SER  88           HG       SER  88  -4.388  -3.082   4.489
  658    H    HIS  89           H        HIS  89  -6.399  -4.446   5.657
  659    HA   HIS  89           HA       HIS  89  -9.237  -5.263   5.776
  660    HB2  HIS  89           HB2      HIS  89  -8.864  -5.818   8.248
  661    HB3  HIS  89           HB3      HIS  89  -8.307  -7.002   7.066
  662    HD1  HIS  89           HD1      HIS  89  -7.103  -5.462  10.120
  663    HD2  HIS  89           HD2      HIS  89  -5.447  -6.522   6.405
  664    HE1  HIS  89           HE1      HIS  89  -4.566  -5.614  10.448
  665    H    ARG  90           H        ARG  90  -6.593  -3.376   7.195
  666    HA   ARG  90           HA       ARG  90  -6.768  -0.974   6.869
  667    HB2  ARG  90           HB2      ARG  90  -8.515   0.345   7.655
  668    HB3  ARG  90           HB3      ARG  90  -9.301  -0.957   6.781
  669    HG2  ARG  90           HG2      ARG  90  -9.634  -2.105   9.073
  670    HG3  ARG  90           HG3      ARG  90  -9.011  -0.618   9.805
  671    HD2  ARG  90           HD2      ARG  90 -10.794   0.687   8.701
  672    HD3  ARG  90           HD3      ARG  90 -11.426  -0.801   7.964
  673    HE   ARG  90           HE       ARG  90 -11.271  -1.191  10.772
  674   HH11  ARG  90          HH11      ARG  90 -13.085   0.723   8.418
  675   HH12  ARG  90          HH12      ARG  90 -14.513   0.824   9.420
  676   HH21  ARG  90          HH21      ARG  90 -13.148  -1.040  12.064
  677   HH22  ARG  90          HH22      ARG  90 -14.549  -0.175  11.475
  678    H    THR  91           H        THR  91  -7.037  -3.205   9.548
  679    HA   THR  91           HA       THR  91  -6.324  -1.315  11.602
  680    HB   THR  91           HB       THR  91  -5.877  -4.323  11.532
  681    HG1  THR  91           HG1      THR  91  -7.916  -4.342  12.578
  682   HG21  THR  91          HG21      THR  91  -4.680  -3.189  13.348
  683   HG22  THR  91          HG22      THR  91  -6.165  -2.330  13.816
  684   HG23  THR  91          HG23      THR  91  -6.062  -4.100  13.998
  685    H    GLU  92           H        GLU  92  -4.431  -3.515   9.478
  686    HA   GLU  92           HA       GLU  92  -1.867  -2.797  10.617
  687    HB2  GLU  92           HB2      GLU  92  -2.324  -4.842   9.237
  688    HB3  GLU  92           HB3      GLU  92  -2.565  -3.782   7.822
  689    HG2  GLU  92           HG2      GLU  92  -0.278  -2.964   8.009
  690    HG3  GLU  92           HG3      GLU  92  -0.025  -3.906   9.488
  691    H    MET  93           H        MET  93  -3.924  -1.523   7.989
  692    HA   MET  93           HA       MET  93  -2.017   0.258   6.887
  693    HB2  MET  93           HB2      MET  93  -4.082  -0.376   5.772
  694    HB3  MET  93           HB3      MET  93  -5.056   0.384   7.036
  695    HG2  MET  93           HG2      MET  93  -3.039   1.963   5.426
  696    HG3  MET  93           HG3      MET  93  -4.658   1.649   4.807
  697    HE1  MET  93           HE1      MET  93  -6.577   1.850   7.301
  698    HE2  MET  93           HE2      MET  93  -7.029   3.563   7.155
  699    HE3  MET  93           HE3      MET  93  -6.845   2.563   5.696
  700    H    ASP  94           H        ASP  94  -4.431   0.722   9.530
  701    HA   ASP  94           HA       ASP  94  -3.838   3.486   9.933
  702    HB2  ASP  94           HB2      ASP  94  -5.878   2.218  10.660
  703    HB3  ASP  94           HB3      ASP  94  -4.893   1.443  11.902
  704    H    TRP  95           H        TRP  95  -2.334   0.516  11.051
  705    HA   TRP  95           HA       TRP  95  -1.014   1.616  13.362
  706    HB2  TRP  95           HB2      TRP  95  -1.496  -0.765  13.085
  707    HB3  TRP  95           HB3      TRP  95  -0.465  -0.835  11.663
  708    HD1  TRP  95           HD1      TRP  95  -0.176  -0.270  15.463
  709    HE1  TRP  95           HE1      TRP  95   2.125  -1.031  16.257
  710    HE3  TRP  95           HE3      TRP  95   1.904  -1.388  10.928
  711    HZ2  TRP  95           HZ2      TRP  95   4.576  -2.015  15.071
  712    HZ3  TRP  95           HZ3      TRP  95   4.231  -2.208  10.791
  713    HH2  TRP  95           HH2      TRP  95   5.575  -2.534  12.851
  714    H    VAL  96           H        VAL  96   0.284   0.690  10.096
  715    HA   VAL  96           HA       VAL  96   2.879   1.787  10.760
  716    HB   VAL  96           HB       VAL  96   2.681  -0.116   9.264
  717   HG11  VAL  96          HG11      VAL  96   1.777   0.227   6.977
  718   HG12  VAL  96          HG12      VAL  96   0.573   0.151   8.276
  719   HG13  VAL  96          HG13      VAL  96   1.018   1.729   7.577
  720   HG21  VAL  96          HG21      VAL  96   3.614   2.284   7.675
  721   HG22  VAL  96          HG22      VAL  96   4.573   1.463   8.929
  722   HG23  VAL  96          HG23      VAL  96   4.095   0.592   7.454
  723    H    LEU  97           H        LEU  97  -0.055   3.142   9.332
  724    HA   LEU  97           HA       LEU  97   1.159   5.395   8.074
  725    HB2  LEU  97           HB2      LEU  97  -1.516   4.468   8.857
  726    HB3  LEU  97           HB3      LEU  97  -1.343   6.209   9.075
  727    HG   LEU  97           HG       LEU  97  -2.281   5.755   6.911
  728   HD11  LEU  97          HD11      LEU  97  -0.731   6.957   5.473
  729   HD12  LEU  97          HD12      LEU  97  -0.700   7.653   7.110
  730   HD13  LEU  97          HD13      LEU  97   0.623   6.598   6.559
  731   HD21  LEU  97          HD21      LEU  97  -0.895   4.574   5.157
  732   HD22  LEU  97          HD22      LEU  97   0.149   3.997   6.480
  733   HD23  LEU  97          HD23      LEU  97  -1.570   3.536   6.408
  734    H    LYS  98           H        LYS  98   1.181   4.509  11.336
  735    HA   LYS  98           HA       LYS  98   1.789   7.279  12.201
  736    HB2  LYS  98           HB2      LYS  98  -0.062   5.306  13.588
  737    HB3  LYS  98           HB3      LYS  98   0.513   6.842  14.263
  738    HG2  LYS  98           HG2      LYS  98  -0.505   8.026  12.281
  739    HG3  LYS  98           HG3      LYS  98  -1.216   6.472  11.782
  740    HD2  LYS  98           HD2      LYS  98  -2.341   6.305  13.990
  741    HD3  LYS  98           HD3      LYS  98  -1.659   7.888  14.436
  742    HE2  LYS  98           HE2      LYS  98  -2.836   8.939  12.530
  743    HE3  LYS  98           HE3      LYS  98  -3.494   7.362  12.055
  744    HZ1  LYS  98           HZ1      LYS  98  -4.033   8.736  14.604
  745    HZ2  LYS  98           HZ2      LYS  98  -5.070   8.629  13.331
  746    HZ3  LYS  98           HZ3      LYS  98  -4.641   7.274  14.155
  747    H    HIS  99           H        HIS  99   3.126   4.411  11.652
  748    HA   HIS  99           HA       HIS  99   4.904   4.539  13.981
  749    HB2  HIS  99           HB2      HIS  99   2.934   3.046  14.564
  750    HB3  HIS  99           HB3      HIS  99   3.468   1.951  13.280
  751    HD1  HIS  99           HD1      HIS  99   5.299   0.217  14.031
  752    HD2  HIS  99           HD2      HIS  99   4.831   3.506  16.605
  753    HE1  HIS  99           HE1      HIS  99   6.762  -0.244  16.074
  754    H    SER 100           H        SER 100   5.256   5.183  11.213
  755    HA   SER 100           HA       SER 100   6.324   3.214   9.561
  756    HB2  SER 100           HB2      SER 100   7.563   5.069   8.512
  757    HB3  SER 100           HB3      SER 100   5.891   5.533   8.897
  758    HG   SER 100           HG       SER 100   8.204   6.146  10.430
  759    H    GLY 101           H        GLY 101   8.428   2.496   9.066
  760    HA2  GLY 101           HA2      GLY 101  10.786   3.126  10.387
  761    HA3  GLY 101           HA3      GLY 101  10.010   1.885  11.383
  762    HA   PRO 102           HA       PRO 102  11.299  -1.315   8.670
  763    HB2  PRO 102           HB2      PRO 102   9.222  -2.622   7.469
  764    HB3  PRO 102           HB3      PRO 102   9.522  -2.669   9.237
  765    HG2  PRO 102           HG2      PRO 102   7.587  -0.904   7.719
  766    HG3  PRO 102           HG3      PRO 102   7.283  -1.860   9.205
  767    HD2  PRO 102           HD2      PRO 102   7.861   0.801   9.252
  768    HD3  PRO 102           HD3      PRO 102   8.429  -0.300  10.544
  769    H5'    A   1           H5'        A   1  21.308   0.766  -2.091
  770   H5''    A   1          H5''        A   1  19.928   0.641  -0.975
  771    H4'    A   1           H4'        A   1  21.476  -1.800  -1.965
  772    H3'    A   1           H3'        A   1  20.145  -0.244  -3.690
  773    H2'    A   1           H2'        A   1  18.288   0.260  -2.471
  774   HO2'    A   1          HO2'        A   1  17.592  -2.157  -3.800
  775    H1'    A   1           H1'        A   1  17.812  -2.470  -1.437
  776    H8     A   1           H8         A   1  17.496  -2.619   1.163
  777    H61    A   1           H61        A   1  15.218   2.800   3.116
  778    H62    A   1           H62        A   1  15.475   1.118   3.540
  779    H2     A   1           H2         A   1  16.934   3.400  -0.929
  780   HO5'    A   1          HO5'        A   1  21.931   0.982   0.112
  781    H5'    G   2           H5'        G   2  17.171  -5.563  -3.860
  782   H5''    G   2          H5''        G   2  15.960  -4.553  -4.683
  783    H4'    G   2           H4'        G   2  16.935  -3.916  -1.891
  784    H3'    G   2           H3'        G   2  14.432  -5.405  -2.712
  785    H2'    G   2           H2'        G   2  13.721  -4.648  -0.532
  786   HO2'    G   2          HO2'        G   2  15.664  -5.003   0.612
  787    H1'    G   2           H1'        G   2  14.955  -2.154  -0.951
  788    H8     G   2           H8         G   2  12.148  -3.646  -0.277
  789    H1     G   2           H1         G   2  10.640   0.171  -5.185
  790    H21    G   2           H21        G   2  12.469   0.634  -6.382
  791    H22    G   2           H22        G   2  14.041   0.008  -5.936
  792    H5'    G   3           H5'        G   3  12.237  -6.826  -0.367
  793   H5''    G   3          H5''        G   3  12.392  -8.596  -0.377
  794    H4'    G   3           H4'        G   3  10.415  -8.143  -1.594
  795    H3'    G   3           H3'        G   3  12.710  -9.161  -3.074
  796    H2'    G   3           H2'        G   3  12.605  -7.440  -4.621
  797   HO2'    G   3          HO2'        G   3  10.353  -9.031  -5.342
  798    H1'    G   3           H1'        G   3   9.646  -7.185  -3.979
  799    H8     G   3           H8         G   3  12.837  -5.321  -5.199
  800    H1     G   3           H1         G   3   7.258  -2.788  -7.058
  801    H21    G   3           H21        G   3   5.589  -3.722  -5.897
  802    H22    G   3           H22        G   3   5.881  -5.058  -4.798
  803    H5'    G   4           H5'        G   4   8.438 -11.428  -1.009
  804   H5''    G   4          H5''        G   4   8.516  -9.668  -1.205
  805    H4'    G   4           H4'        G   4   9.250 -11.075   1.390
  806    H3'    G   4           H3'        G   4   6.721 -11.261   0.303
  807    H2'    G   4           H2'        G   4   5.896  -9.137   0.294
  808   HO2'    G   4          HO2'        G   4   6.156  -9.603   3.080
  809    H1'    G   4           H1'        G   4   7.547  -7.717   2.145
  810    H8     G   4           H8         G   4   6.860  -8.568  -1.506
  811    H1     G   4           H1         G   4   8.811  -2.556  -0.445
  812    H21    G   4           H21        G   4   9.315  -2.294   1.686
  813    H22    G   4           H22        G   4   9.286  -3.623   2.831
  814    H5'    A   5           H5'        A   5   4.433 -12.935   2.456
  815   H5''    A   5          H5''        A   5   4.890 -14.628   2.719
  816    H4'    A   5           H4'        A   5   3.282 -15.115   1.219
  817    H3'    A   5           H3'        A   5   5.540 -15.135  -0.245
  818    H2'    A   5           H2'        A   5   5.517 -12.701  -0.521
  819   HO2'    A   5          HO2'        A   5   5.857 -13.776  -2.564
  820    H1'    A   5           H1'        A   5   2.683 -13.001  -1.495
  821    H8     A   5           H8         A   5   3.615 -10.813   1.444
  822    H61    A   5           H61        A   5   2.488  -6.008  -2.314
  823    H62    A   5           H62        A   5   2.665  -6.505  -0.639
  824    H2     A   5           H2         A   5   2.945  -9.628  -4.828
  825    H5'    U   6           H5'        U   6   3.520 -16.185  -5.417
  826   H5''    U   6          H5''        U   6   4.820 -15.060  -4.976
  827    H4'    U   6           H4'        U   6   3.607 -13.925  -6.625
  828    H3'    U   6           H3'        U   6   3.092 -12.976  -3.827
  829   HO3'    U   6          HO3'        U   6   4.108 -11.201  -4.693
  830    H2'    U   6           H2'        U   6   1.249 -11.646  -4.364
  831   HO2'    U   6          HO2'        U   6   0.657 -11.333  -6.590
  832    H1'    U   6           H1'        U   6  -0.048 -13.325  -5.933
  833    H3     U   6           H3         U   6  -1.056 -17.002  -3.212
  834    H5     U   6           H5         U   6   0.541 -13.990  -0.775
  835    H6     U   6           H6         U   6   1.184 -12.775  -2.745
  Start of MODEL   19
    1    H    MET   1           H        MET   1  -3.317 -15.436  12.865
    2    HA   MET   1           HA       MET   1  -3.732 -14.207  14.865
    3    HB2  MET   1           HB2      MET   1  -1.754 -16.499  15.178
    4    HB3  MET   1           HB3      MET   1  -2.749 -15.830  16.482
    5    HG2  MET   1           HG2      MET   1  -3.776 -17.117  13.931
    6    HG3  MET   1           HG3      MET   1  -3.762 -17.856  15.530
    7    HE1  MET   1           HE1      MET   1  -4.703 -15.600  17.502
    8    HE2  MET   1           HE2      MET   1  -6.458 -15.885  17.504
    9    HE3  MET   1           HE3      MET   1  -5.334 -17.263  17.489
   10    H    MET   2           H        MET   2  -3.076 -12.270  15.495
   11    HA   MET   2           HA       MET   2  -1.860 -10.552  16.230
   12    HB2  MET   2           HB2      MET   2  -0.377 -12.760  17.694
   13    HB3  MET   2           HB3      MET   2  -0.253 -11.034  18.049
   14    HG2  MET   2           HG2      MET   2  -1.814 -11.851  19.592
   15    HG3  MET   2           HG3      MET   2  -2.745 -10.977  18.380
   16    HE1  MET   2           HE1      MET   2  -1.803 -14.366  19.998
   17    HE2  MET   2           HE2      MET   2  -2.607 -15.570  18.967
   18    HE3  MET   2           HE3      MET   2  -1.207 -14.663  18.350
   19    H    LEU   3           H        LEU   3  -0.523 -12.267  13.826
   20    HA   LEU   3           HA       LEU   3   1.879 -10.492  13.775
   21    HB2  LEU   3           HB2      LEU   3   1.650 -13.431  13.028
   22    HB3  LEU   3           HB3      LEU   3   2.872 -12.383  12.325
   23    HG   LEU   3           HG       LEU   3   3.937 -13.555  14.030
   24   HD11  LEU   3          HD11      LEU   3   3.321 -10.823  15.212
   25   HD12  LEU   3          HD12      LEU   3   4.757 -11.825  15.503
   26   HD13  LEU   3          HD13      LEU   3   4.474 -11.135  13.890
   27   HD21  LEU   3          HD21      LEU   3   1.837 -12.659  16.032
   28   HD22  LEU   3          HD22      LEU   3   1.975 -14.289  15.326
   29   HD23  LEU   3          HD23      LEU   3   3.271 -13.647  16.355
   30    H    GLY   4           H        GLY   4  -1.088 -11.234  12.371
   31    HA2  GLY   4           HA2      GLY   4  -1.082  -9.392  10.392
   32    HA3  GLY   4           HA3      GLY   4  -0.294 -10.762   9.593
   33    HA   PRO   5           HA       PRO   5  -4.973 -11.279   9.394
   34    HB2  PRO   5           HB2      PRO   5  -5.377 -10.750   6.756
   35    HB3  PRO   5           HB3      PRO   5  -5.277  -9.443   7.982
   36    HG2  PRO   5           HG2      PRO   5  -3.069 -10.468   6.170
   37    HG3  PRO   5           HG3      PRO   5  -3.576  -8.764   6.439
   38    HD2  PRO   5           HD2      PRO   5  -1.480  -9.889   7.787
   39    HD3  PRO   5           HD3      PRO   5  -2.575  -8.713   8.577
   40    H    GLU   6           H        GLU   6  -6.097 -12.870   7.830
   41    HA   GLU   6           HA       GLU   6  -4.218 -14.868   6.698
   42    HB2  GLU   6           HB2      GLU   6  -6.380 -15.442   8.768
   43    HB3  GLU   6           HB3      GLU   6  -5.507 -16.679   7.841
   44    HG2  GLU   6           HG2      GLU   6  -3.362 -15.886   8.780
   45    HG3  GLU   6           HG3      GLU   6  -4.224 -14.650   9.713
   46    H    GLY   7           H        GLY   7  -6.548 -12.824   5.942
   47    HA2  GLY   7           HA2      GLY   7  -7.369 -14.111   3.589
   48    HA3  GLY   7           HA3      GLY   7  -8.625 -14.423   4.802
   49    H    GLY   8           H        GLY   8  -7.516 -11.579   5.880
   50    HA2  GLY   8           HA2      GLY   8  -7.915  -9.335   5.428
   51    HA3  GLY   8           HA3      GLY   8  -8.721  -9.762   3.912
   52    H    GLU   9           H        GLU   9  -9.788  -7.850   5.643
   53    HA   GLU   9           HA       GLU   9 -12.352  -9.093   6.389
   54    HB2  GLU   9           HB2      GLU   9 -10.634  -7.530   8.367
   55    HB3  GLU   9           HB3      GLU   9 -12.320  -7.999   8.619
   56    HG2  GLU   9           HG2      GLU   9 -11.662 -10.395   8.417
   57    HG3  GLU   9           HG3      GLU   9  -9.964  -9.892   8.287
   58    H    GLY  10           H        GLY  10 -10.940  -6.861   4.562
   59    HA2  GLY  10           HA2      GLY  10 -13.190  -5.008   4.770
   60    HA3  GLY  10           HA3      GLY  10 -11.619  -4.314   5.181
   61    H    PHE  11           H        PHE  11 -13.010  -3.250   3.142
   62    HA   PHE  11           HA       PHE  11 -12.088  -4.367   0.587
   63    HB2  PHE  11           HB2      PHE  11 -13.657  -1.831   1.118
   64    HB3  PHE  11           HB3      PHE  11 -13.494  -2.682  -0.415
   65    HD1  PHE  11           HD1      PHE  11 -13.848  -5.529   0.891
   66    HD2  PHE  11           HD2      PHE  11 -16.061  -1.850   1.135
   67    HE1  PHE  11           HE1      PHE  11 -15.904  -6.804   1.415
   68    HE2  PHE  11           HE2      PHE  11 -18.122  -3.128   1.662
   69    HZ   PHE  11           HZ       PHE  11 -18.044  -5.606   1.807
   70    H    VAL  12           H        VAL  12  -9.876  -3.894   1.877
   71    HA   VAL  12           HA       VAL  12  -8.796  -1.376   0.697
   72    HB   VAL  12           HB       VAL  12  -8.290  -2.451   3.509
   73   HG11  VAL  12          HG11      VAL  12  -6.234  -1.468   2.595
   74   HG12  VAL  12          HG12      VAL  12  -7.128  -0.014   2.094
   75   HG13  VAL  12          HG13      VAL  12  -6.933  -0.402   3.818
   76   HG21  VAL  12          HG21      VAL  12  -9.239  -0.251   4.213
   77   HG22  VAL  12          HG22      VAL  12  -9.668   0.080   2.521
   78   HG23  VAL  12          HG23      VAL  12 -10.427  -1.278   3.384
   79    H    VAL  13           H        VAL  13  -6.567  -1.525   0.131
   80    HA   VAL  13           HA       VAL  13  -5.324  -4.214   0.404
   81    HB   VAL  13           HB       VAL  13  -4.538  -4.114  -1.932
   82   HG11  VAL  13          HG11      VAL  13  -7.566  -4.038  -1.680
   83   HG12  VAL  13          HG12      VAL  13  -6.625  -4.824  -2.969
   84   HG13  VAL  13          HG13      VAL  13  -6.530  -5.433  -1.302
   85   HG21  VAL  13          HG21      VAL  13  -4.739  -1.699  -2.349
   86   HG22  VAL  13          HG22      VAL  13  -5.650  -2.633  -3.552
   87   HG23  VAL  13          HG23      VAL  13  -6.511  -1.813  -2.231
   88    H    LYS  14           H        LYS  14  -3.019  -4.192  -0.151
   89    HA   LYS  14           HA       LYS  14  -1.728  -1.686   0.792
   90    HB2  LYS  14           HB2      LYS  14  -0.387  -4.379   0.485
   91    HB3  LYS  14           HB3      LYS  14   0.047  -3.029   1.548
   92    HG2  LYS  14           HG2      LYS  14  -2.084  -3.472   2.845
   93    HG3  LYS  14           HG3      LYS  14  -2.335  -4.907   1.825
   94    HD2  LYS  14           HD2      LYS  14  -0.039  -5.712   2.551
   95    HD3  LYS  14           HD3      LYS  14  -0.024  -4.376   3.729
   96    HE2  LYS  14           HE2      LYS  14  -2.202  -5.252   4.643
   97    HE3  LYS  14           HE3      LYS  14  -2.067  -6.624   3.523
   98    HZ1  LYS  14           HZ1      LYS  14  -1.227  -7.187   5.683
   99    HZ2  LYS  14           HZ2      LYS  14   0.018  -7.192   4.604
  100    HZ3  LYS  14           HZ3      LYS  14  -0.165  -5.934   5.658
  101    H    LEU  15           H        LEU  15   0.292  -1.036  -0.341
  102    HA   LEU  15           HA       LEU  15   0.491  -2.036  -3.127
  103    HB2  LEU  15           HB2      LEU  15  -0.960   0.143  -2.564
  104    HB3  LEU  15           HB3      LEU  15   0.624   0.905  -2.496
  105    HG   LEU  15           HG       LEU  15  -0.333   1.229  -4.640
  106   HD11  LEU  15          HD11      LEU  15   1.683  -0.997  -5.058
  107   HD12  LEU  15          HD12      LEU  15   1.320   0.351  -6.148
  108   HD13  LEU  15          HD13      LEU  15   2.129   0.670  -4.596
  109   HD21  LEU  15          HD21      LEU  15  -1.004  -0.612  -6.135
  110   HD22  LEU  15          HD22      LEU  15  -0.605  -1.794  -4.871
  111   HD23  LEU  15          HD23      LEU  15  -1.939  -0.645  -4.620
  112    H    ARG  16           H        ARG  16   2.579  -2.079  -3.867
  113    HA   ARG  16           HA       ARG  16   4.712  -0.652  -2.391
  114    HB2  ARG  16           HB2      ARG  16   4.772  -3.651  -2.988
  115    HB3  ARG  16           HB3      ARG  16   6.099  -2.677  -2.365
  116    HG2  ARG  16           HG2      ARG  16   5.360  -3.744  -0.486
  117    HG3  ARG  16           HG3      ARG  16   4.557  -2.178  -0.357
  118    HD2  ARG  16           HD2      ARG  16   2.453  -3.205  -1.196
  119    HD3  ARG  16           HD3      ARG  16   3.308  -4.726  -1.467
  120    HE   ARG  16           HE       ARG  16   2.954  -5.243   0.717
  121   HH11  ARG  16          HH11      ARG  16   2.824  -1.707   0.445
  122   HH12  ARG  16          HH12      ARG  16   2.540  -1.478   2.152
  123   HH21  ARG  16          HH21      ARG  16   2.600  -4.902   2.927
  124   HH22  ARG  16          HH22      ARG  16   2.392  -3.281   3.552
  125    H    GLY  17           H        GLY  17   6.500  -0.141  -3.745
  126    HA2  GLY  17           HA2      GLY  17   7.619  -1.268  -5.816
  127    HA3  GLY  17           HA3      GLY  17   6.103  -0.855  -6.616
  128    H    LEU  18           H        LEU  18   7.862   0.122  -7.965
  129    HA   LEU  18           HA       LEU  18   8.719   1.926  -8.956
  130    HB2  LEU  18           HB2      LEU  18   6.948   3.483  -7.036
  131    HB3  LEU  18           HB3      LEU  18   7.705   4.131  -8.491
  132    HG   LEU  18           HG       LEU  18   5.573   1.974  -8.342
  133   HD11  LEU  18          HD11      LEU  18   5.716   4.694  -9.711
  134   HD12  LEU  18          HD12      LEU  18   4.327   3.581  -9.722
  135   HD13  LEU  18          HD13      LEU  18   4.843   4.337  -8.202
  136   HD21  LEU  18          HD21      LEU  18   7.357   2.840 -10.650
  137   HD22  LEU  18          HD22      LEU  18   7.069   1.188 -10.032
  138   HD23  LEU  18          HD23      LEU  18   5.785   2.065 -10.896
  139    HA   PRO  19           HA       PRO  19  12.395   3.500  -7.245
  140    HB2  PRO  19           HB2      PRO  19  11.536   6.197  -8.293
  141    HB3  PRO  19           HB3      PRO  19  13.120   5.366  -8.467
  142    HG2  PRO  19           HG2      PRO  19  11.362   5.326 -10.505
  143    HG3  PRO  19           HG3      PRO  19  12.176   3.794 -10.022
  144    HD2  PRO  19           HD2      PRO  19   9.425   4.786  -9.242
  145    HD3  PRO  19           HD3      PRO  19   9.898   3.173  -9.866
  146    H    TRP  20           H        TRP  20  11.028   3.210  -5.073
  147    HA   TRP  20           HA       TRP  20  10.788   3.814  -2.948
  148    HB2  TRP  20           HB2      TRP  20  12.714   6.057  -3.076
  149    HB3  TRP  20           HB3      TRP  20  12.691   4.641  -2.025
  150    HD1  TRP  20           HD1      TRP  20  14.098   6.028  -5.199
  151    HE1  TRP  20           HE1      TRP  20  15.636   4.393  -6.401
  152    HE3  TRP  20           HE3      TRP  20  13.591   1.993  -2.075
  153    HZ2  TRP  20           HZ2      TRP  20  16.268   1.559  -6.244
  154    HZ3  TRP  20           HZ3      TRP  20  14.905  -0.066  -2.547
  155    HH2  TRP  20           HH2      TRP  20  16.013  -0.356  -4.711
  156    H    SER  21           H        SER  21   9.432   5.659  -5.196
  157    HA   SER  21           HA       SER  21   7.904   7.213  -3.260
  158    HB2  SER  21           HB2      SER  21   9.889   8.665  -3.648
  159    HB3  SER  21           HB3      SER  21   9.562   8.623  -5.395
  160    HG   SER  21           HG       SER  21   8.667  10.472  -4.368
  161    H    CYS  22           H        CYS  22   5.997   8.157  -4.254
  162    HA   CYS  22           HA       CYS  22   5.383   7.712  -7.056
  163    HB2  CYS  22           HB2      CYS  22   3.451   6.200  -6.448
  164    HB3  CYS  22           HB3      CYS  22   5.054   5.449  -6.295
  165    HG   CYS  22           HG       CYS  22   3.530   4.632  -4.343
  166    H    SER  23           H        SER  23   2.799   8.081  -7.212
  167    HA   SER  23           HA       SER  23   1.959  10.171  -5.276
  168    HB2  SER  23           HB2      SER  23   1.977  10.496  -8.300
  169    HB3  SER  23           HB3      SER  23   1.282  11.638  -7.135
  170    HG   SER  23           HG       SER  23   3.412  12.208  -7.776
  171    H    VAL  24           H        VAL  24  -0.391  10.745  -5.590
  172    HA   VAL  24           HA       VAL  24  -1.814   8.288  -5.462
  173    HB   VAL  24           HB       VAL  24  -3.374   9.433  -4.403
  174   HG11  VAL  24          HG11      VAL  24  -1.548  11.839  -4.755
  175   HG12  VAL  24          HG12      VAL  24  -2.752  11.587  -3.473
  176   HG13  VAL  24          HG13      VAL  24  -1.320  10.541  -3.551
  177   HG21  VAL  24          HG21      VAL  24  -3.357  11.574  -6.540
  178   HG22  VAL  24          HG22      VAL  24  -4.529  10.237  -6.327
  179   HG23  VAL  24          HG23      VAL  24  -4.432  11.518  -5.117
  180    H    GLU  25           H        GLU  25  -1.070  10.289  -8.185
  181    HA   GLU  25           HA       GLU  25  -3.474   9.539  -9.685
  182    HB2  GLU  25           HB2      GLU  25  -0.898  10.934 -10.518
  183    HB3  GLU  25           HB3      GLU  25  -2.359  10.747 -11.510
  184    HG2  GLU  25           HG2      GLU  25  -3.661  11.991  -9.774
  185    HG3  GLU  25           HG3      GLU  25  -2.164  12.239  -8.857
  186    H    ASP  26           H        ASP  26  -0.151   8.341  -9.270
  187    HA   ASP  26           HA       ASP  26  -0.271   6.699 -11.696
  188    HB2  ASP  26           HB2      ASP  26   1.610   6.677  -9.298
  189    HB3  ASP  26           HB3      ASP  26   1.842   5.762 -10.798
  190    H    VAL  27           H        VAL  27  -0.880   6.327  -8.196
  191    HA   VAL  27           HA       VAL  27  -1.106   3.457  -8.343
  192    HB   VAL  27           HB       VAL  27  -0.507   4.683  -6.309
  193   HG11  VAL  27          HG11      VAL  27  -3.411   5.594  -6.225
  194   HG12  VAL  27          HG12      VAL  27  -2.155   5.889  -5.001
  195   HG13  VAL  27          HG13      VAL  27  -2.008   6.620  -6.610
  196   HG21  VAL  27          HG21      VAL  27  -1.522   2.416  -6.169
  197   HG22  VAL  27          HG22      VAL  27  -1.855   3.427  -4.741
  198   HG23  VAL  27          HG23      VAL  27  -3.121   3.173  -5.966
  199    H    GLN  28           H        GLN  28  -3.531   6.168  -8.547
  200    HA   GLN  28           HA       GLN  28  -5.715   4.285  -8.715
  201    HB2  GLN  28           HB2      GLN  28  -7.063   6.188  -9.377
  202    HB3  GLN  28           HB3      GLN  28  -6.044   6.596  -7.988
  203    HG2  GLN  28           HG2      GLN  28  -4.439   7.690  -9.545
  204    HG3  GLN  28           HG3      GLN  28  -5.542   7.376 -10.893
  205   HE21  GLN  28          HE21      GLN  28  -5.243   9.020  -7.728
  206   HE22  GLN  28          HE22      GLN  28  -6.459  10.245  -8.037
  207    H    ASN  29           H        ASN  29  -3.399   5.588 -11.035
  208    HA   ASN  29           HA       ASN  29  -4.812   4.755 -13.404
  209    HB2  ASN  29           HB2      ASN  29  -3.144   6.112 -14.103
  210    HB3  ASN  29           HB3      ASN  29  -2.204   5.848 -12.631
  211   HD21  ASN  29          HD21      ASN  29  -0.780   4.060 -12.454
  212   HD22  ASN  29          HD22      ASN  29  -0.133   3.290 -13.884
  213    H    PHE  30           H        PHE  30  -2.951   3.046 -10.952
  214    HA   PHE  30           HA       PHE  30  -2.527   0.722 -12.726
  215    HB2  PHE  30           HB2      PHE  30  -0.709   1.509 -11.357
  216    HB3  PHE  30           HB3      PHE  30  -1.680   1.402  -9.898
  217    HD1  PHE  30           HD1      PHE  30   0.183  -0.500 -12.459
  218    HD2  PHE  30           HD2      PHE  30  -2.106  -0.754  -8.831
  219    HE1  PHE  30           HE1      PHE  30   0.976  -2.821 -12.112
  220    HE2  PHE  30           HE2      PHE  30  -1.365  -3.077  -8.508
  221    HZ   PHE  30           HZ       PHE  30   0.206  -4.117 -10.139
  222    H    LEU  31           H        LEU  31  -4.601   1.765 -10.059
  223    HA   LEU  31           HA       LEU  31  -5.953  -0.893 -10.139
  224    HB2  LEU  31           HB2      LEU  31  -6.181   1.348  -8.074
  225    HB3  LEU  31           HB3      LEU  31  -7.121  -0.137  -8.094
  226    HG   LEU  31           HG       LEU  31  -5.540  -0.626  -6.515
  227   HD11  LEU  31          HD11      LEU  31  -4.208  -1.642  -9.044
  228   HD12  LEU  31          HD12      LEU  31  -4.035  -2.296  -7.404
  229   HD13  LEU  31          HD13      LEU  31  -5.605  -2.391  -8.233
  230   HD21  LEU  31          HD21      LEU  31  -3.433   0.664  -8.258
  231   HD22  LEU  31          HD22      LEU  31  -4.196   1.366  -6.815
  232   HD23  LEU  31          HD23      LEU  31  -3.172  -0.079  -6.662
  233    H    SER  32           H        SER  32  -6.227   0.421 -12.374
  234    HA   SER  32           HA       SER  32  -8.166   2.480 -12.540
  235    HB2  SER  32           HB2      SER  32  -6.391   1.881 -14.212
  236    HB3  SER  32           HB3      SER  32  -7.358   0.465 -14.670
  237    HG   SER  32           HG       SER  32  -9.055   1.924 -15.191
  238    H    ASP  33           H        ASP  33  -9.044  -0.076 -11.054
  239    HA   ASP  33           HA       ASP  33 -11.626  -0.410 -12.491
  240    HB2  ASP  33           HB2      ASP  33 -10.009  -2.611 -11.150
  241    HB3  ASP  33           HB3      ASP  33 -11.600  -2.794 -11.908
  242    H    CYS  34           H        CYS  34 -10.298   0.961  -9.873
  243    HA   CYS  34           HA       CYS  34 -12.477   0.064  -8.056
  244    HB2  CYS  34           HB2      CYS  34 -11.016   0.315  -6.220
  245    HB3  CYS  34           HB3      CYS  34 -10.134  -0.659  -7.414
  246    HG   CYS  34           HG       CYS  34  -8.831   1.370  -8.450
  247    H    THR  35           H        THR  35 -12.092   2.028  -6.081
  248    HA   THR  35           HA       THR  35 -12.728   4.511  -7.566
  249    HB   THR  35           HB       THR  35 -14.676   2.954  -6.702
  250    HG1  THR  35           HG1      THR  35 -15.902   4.860  -6.449
  251   HG21  THR  35          HG21      THR  35 -14.135   4.634  -4.244
  252   HG22  THR  35          HG22      THR  35 -15.437   3.452  -4.488
  253   HG23  THR  35          HG23      THR  35 -13.748   2.900  -4.387
  254    H    ILE  36           H        ILE  36 -10.618   3.242  -5.601
  255    HA   ILE  36           HA       ILE  36  -9.414   3.794  -3.765
  256    HB   ILE  36           HB       ILE  36  -9.398   6.527  -5.055
  257   HG12  ILE  36          HG12      ILE  36  -7.243   5.137  -6.079
  258   HG13  ILE  36          HG13      ILE  36  -8.500   3.889  -6.055
  259   HG21  ILE  36          HG21      ILE  36  -7.396   4.889  -3.445
  260   HG22  ILE  36          HG22      ILE  36  -6.983   6.400  -4.296
  261   HG23  ILE  36          HG23      ILE  36  -8.137   6.424  -2.956
  262   HD11  ILE  36          HD11      ILE  36 -10.009   5.460  -7.302
  263   HD12  ILE  36          HD12      ILE  36  -8.667   6.632  -7.366
  264   HD13  ILE  36          HD13      ILE  36  -8.523   5.065  -8.192
  265    H    HIS  37           H        HIS  37 -12.159   3.870  -3.226
  266    HA   HIS  37           HA       HIS  37 -13.646   4.388  -1.630
  267    HB2  HIS  37           HB2      HIS  37 -11.623   3.916  -0.274
  268    HB3  HIS  37           HB3      HIS  37 -11.350   5.656  -0.161
  269    HD1  HIS  37           HD1      HIS  37 -13.629   2.892   1.154
  270    HD2  HIS  37           HD2      HIS  37 -13.126   7.054   1.357
  271    HE1  HIS  37           HE1      HIS  37 -15.082   3.705   3.099
  272    H    ASP  38           H        ASP  38 -11.766   7.107  -2.797
  273    HA   ASP  38           HA       ASP  38 -14.189   8.703  -3.118
  274    HB2  ASP  38           HB2      ASP  38 -11.937   9.537  -1.237
  275    HB3  ASP  38           HB3      ASP  38 -12.996  10.699  -2.047
  276    H    GLY  39           H        GLY  39 -10.805   7.976  -3.717
  277    HA2  GLY  39           HA2      GLY  39  -9.425   8.554  -5.458
  278    HA3  GLY  39           HA3      GLY  39 -10.715   9.520  -6.185
  279    H    ALA  40           H        ALA  40  -7.718   9.813  -5.148
  280    HA   ALA  40           HA       ALA  40  -6.393  11.315  -4.158
  281    HB1  ALA  40           HB1      ALA  40  -7.207  12.591  -6.097
  282    HB2  ALA  40           HB2      ALA  40  -8.528  13.253  -5.100
  283    HB3  ALA  40           HB3      ALA  40  -6.836  13.662  -4.722
  284    H    ALA  41           H        ALA  41  -8.925  10.327  -2.607
  285    HA   ALA  41           HA       ALA  41  -8.390  11.936  -0.200
  286    HB1  ALA  41           HB1      ALA  41 -10.851  12.129   0.235
  287    HB2  ALA  41           HB2      ALA  41 -10.311  13.044  -1.196
  288    HB3  ALA  41           HB3      ALA  41 -11.141  11.491  -1.400
  289    H    GLY  42           H        GLY  42  -8.059   9.082  -1.418
  290    HA2  GLY  42           HA2      GLY  42  -8.674   7.722   1.139
  291    HA3  GLY  42           HA3      GLY  42  -9.258   6.995  -0.373
  292    H    VAL  43           H        VAL  43  -6.393   8.626  -1.072
  293    HA   VAL  43           HA       VAL  43  -4.845   6.184  -1.268
  294    HB   VAL  43           HB       VAL  43  -4.753   8.378  -2.745
  295   HG11  VAL  43          HG11      VAL  43  -4.372   9.907  -0.815
  296   HG12  VAL  43          HG12      VAL  43  -2.788   9.131  -0.546
  297   HG13  VAL  43          HG13      VAL  43  -3.104  10.005  -2.052
  298   HG21  VAL  43          HG21      VAL  43  -3.324   6.404  -3.036
  299   HG22  VAL  43          HG22      VAL  43  -2.417   7.905  -3.294
  300   HG23  VAL  43          HG23      VAL  43  -2.213   7.005  -1.781
  301    H    HIS  44           H        HIS  44  -2.724   5.863  -0.173
  302    HA   HIS  44           HA       HIS  44  -2.181   7.515   2.204
  303    HB2  HIS  44           HB2      HIS  44  -2.900   4.573   2.292
  304    HB3  HIS  44           HB3      HIS  44  -1.873   5.325   3.513
  305    HD1  HIS  44           HD1      HIS  44  -3.145   7.572   4.776
  306    HD2  HIS  44           HD2      HIS  44  -5.429   4.652   2.810
  307    HE1  HIS  44           HE1      HIS  44  -5.523   7.793   5.672
  308    H    PHE  45           H        PHE  45  -0.061   7.148   3.061
  309    HA   PHE  45           HA       PHE  45   1.790   5.433   1.539
  310    HB2  PHE  45           HB2      PHE  45   2.147   8.434   1.879
  311    HB3  PHE  45           HB3      PHE  45   3.329   7.319   1.184
  312    HD1  PHE  45           HD1      PHE  45   2.712   6.046  -0.941
  313    HD2  PHE  45           HD2      PHE  45   0.462   9.403   0.519
  314    HE1  PHE  45           HE1      PHE  45   1.607   6.269  -3.153
  315    HE2  PHE  45           HE2      PHE  45  -0.612   9.648  -1.703
  316    HZ   PHE  45           HZ       PHE  45  -0.058   8.053  -3.537
  317    H    ILE  46           H        ILE  46   4.068   5.667   2.693
  318    HA   ILE  46           HA       ILE  46   3.567   5.872   5.628
  319    HB   ILE  46           HB       ILE  46   4.892   3.562   4.181
  320   HG12  ILE  46          HG12      ILE  46   2.168   3.809   5.543
  321   HG13  ILE  46          HG13      ILE  46   2.469   3.605   3.805
  322   HG21  ILE  46          HG21      ILE  46   4.235   3.997   7.125
  323   HG22  ILE  46          HG22      ILE  46   4.894   2.501   6.424
  324   HG23  ILE  46          HG23      ILE  46   5.858   3.982   6.384
  325   HD11  ILE  46          HD11      ILE  46   1.963   1.444   4.520
  326   HD12  ILE  46          HD12      ILE  46   3.733   1.469   4.444
  327   HD13  ILE  46          HD13      ILE  46   2.921   1.611   6.019
  328    H    TYR  47           H        TYR  47   5.660   6.255   2.911
  329    HA   TYR  47           HA       TYR  47   8.183   6.518   4.163
  330    HB2  TYR  47           HB2      TYR  47   8.869   7.485   2.145
  331    HB3  TYR  47           HB3      TYR  47   7.694   6.223   1.766
  332    HD1  TYR  47           HD1      TYR  47   5.367   8.457   2.697
  333    HD2  TYR  47           HD2      TYR  47   8.534   8.177  -0.212
  334    HE1  TYR  47           HE1      TYR  47   4.218  10.118   1.293
  335    HE2  TYR  47           HE2      TYR  47   7.353   9.822  -1.648
  336    HH   TYR  47           HH       TYR  47   5.520  11.182  -1.877
  337    H    THR  48           H        THR  48   9.275   8.959   3.659
  338    HA   THR  48           HA       THR  48   7.476  10.951   4.902
  339    HB   THR  48           HB       THR  48   9.295  11.640   6.465
  340    HG1  THR  48           HG1      THR  48  10.994  10.134   6.767
  341   HG21  THR  48          HG21      THR  48   8.508   8.723   6.779
  342   HG22  THR  48          HG22      THR  48   9.000   9.849   8.070
  343   HG23  THR  48          HG23      THR  48   7.478  10.125   7.188
  344    H    ARG  49           H        ARG  49   8.447  13.094   5.018
  345    HA   ARG  49           HA       ARG  49   9.401  13.903   2.421
  346    HB2  ARG  49           HB2      ARG  49   9.075  16.174   3.393
  347    HB3  ARG  49           HB3      ARG  49   7.671  15.106   3.513
  348    HG2  ARG  49           HG2      ARG  49   7.832  16.332   5.551
  349    HG3  ARG  49           HG3      ARG  49   8.190  14.637   5.878
  350    HD2  ARG  49           HD2      ARG  49   9.687  16.094   7.128
  351    HD3  ARG  49           HD3      ARG  49  10.606  15.163   5.941
  352    HE   ARG  49           HE       ARG  49   9.983  17.534   4.639
  353   HH11  ARG  49          HH11      ARG  49  11.663  16.681   7.643
  354   HH12  ARG  49          HH12      ARG  49  12.678  18.102   7.603
  355   HH21  ARG  49          HH21      ARG  49  11.339  19.365   4.617
  356   HH22  ARG  49          HH22      ARG  49  12.505  19.607   5.897
  357    H    GLU  50           H        GLU  50  11.178  12.504   4.707
  358    HA   GLU  50           HA       GLU  50  13.584  14.048   4.037
  359    HB2  GLU  50           HB2      GLU  50  14.271  14.255   6.386
  360    HB3  GLU  50           HB3      GLU  50  12.785  15.158   6.044
  361    HG2  GLU  50           HG2      GLU  50  11.451  13.248   6.919
  362    HG3  GLU  50           HG3      GLU  50  12.960  12.401   7.300
  363    H    GLY  51           H        GLY  51  12.243  11.256   3.707
  364    HA2  GLY  51           HA2      GLY  51  14.692   9.695   4.320
  365    HA3  GLY  51           HA3      GLY  51  13.085   9.092   4.782
  366    H    ARG  52           H        ARG  52  12.791   7.436   3.384
  367    HA   ARG  52           HA       ARG  52  12.535   8.066   0.502
  368    HB2  ARG  52           HB2      ARG  52  14.402   5.908   1.583
  369    HB3  ARG  52           HB3      ARG  52  13.848   6.015  -0.097
  370    HG2  ARG  52           HG2      ARG  52  14.824   8.307  -0.248
  371    HG3  ARG  52           HG3      ARG  52  15.501   8.099   1.385
  372    HD2  ARG  52           HD2      ARG  52  16.038   6.263  -0.980
  373    HD3  ARG  52           HD3      ARG  52  17.119   7.570  -0.466
  374    HE   ARG  52           HE       ARG  52  16.771   4.954   0.776
  375   HH11  ARG  52          HH11      ARG  52  17.839   8.286   1.305
  376   HH12  ARG  52          HH12      ARG  52  18.875   7.861   2.647
  377   HH21  ARG  52          HH21      ARG  52  18.141   4.432   2.520
  378   HH22  ARG  52          HH22      ARG  52  19.041   5.689   3.335
  379    H    GLN  53           H        GLN  53  12.721   5.076   2.513
  380    HA   GLN  53           HA       GLN  53   9.814   4.720   2.251
  381    HB2  GLN  53           HB2      GLN  53  11.878   2.932   0.915
  382    HB3  GLN  53           HB3      GLN  53  10.341   2.268   1.487
  383    HG2  GLN  53           HG2      GLN  53  10.676   4.492  -0.549
  384    HG3  GLN  53           HG3      GLN  53  10.099   2.851  -0.854
  385   HE21  GLN  53          HE21      GLN  53   8.811   5.649  -1.096
  386   HE22  GLN  53          HE22      GLN  53   7.299   5.488  -0.220
  387    H    SER  54           H        SER  54   8.967   3.031   3.536
  388    HA   SER  54           HA       SER  54  10.652   1.535   5.362
  389    HB2  SER  54           HB2      SER  54   9.723   2.557   7.423
  390    HB3  SER  54           HB3      SER  54  10.682   3.716   6.485
  391    HG   SER  54           HG       SER  54   7.853   3.487   6.579
  392    H    GLY  55           H        GLY  55   8.093   1.606   3.386
  393    HA2  GLY  55           HA2      GLY  55   6.824  -0.687   4.272
  394    HA3  GLY  55           HA3      GLY  55   5.964   0.634   5.081
  395    H    GLU  56           H        GLU  56   7.073   1.865   2.129
  396    HA   GLU  56           HA       GLU  56   6.049   2.425   0.206
  397    HB2  GLU  56           HB2      GLU  56   4.818  -0.310   0.416
  398    HB3  GLU  56           HB3      GLU  56   4.798   0.761  -0.999
  399    HG2  GLU  56           HG2      GLU  56   6.625  -0.718  -1.356
  400    HG3  GLU  56           HG3      GLU  56   7.318   0.838  -0.907
  401    H    ALA  57           H        ALA  57   3.010   0.829   0.351
  402    HA   ALA  57           HA       ALA  57   1.694   3.194   1.531
  403    HB1  ALA  57           HB1      ALA  57   0.603   3.715  -0.668
  404    HB2  ALA  57           HB2      ALA  57   2.363   3.951  -0.692
  405    HB3  ALA  57           HB3      ALA  57   1.652   2.509  -1.435
  406    H    PHE  58           H        PHE  58  -0.732   3.134   0.904
  407    HA   PHE  58           HA       PHE  58  -1.843   0.391   0.620
  408    HB2  PHE  58           HB2      PHE  58  -2.756   2.459   2.655
  409    HB3  PHE  58           HB3      PHE  58  -3.553   0.943   2.321
  410    HD1  PHE  58           HD1      PHE  58  -2.456  -1.238   2.978
  411    HD2  PHE  58           HD2      PHE  58  -0.911   2.602   4.125
  412    HE1  PHE  58           HE1      PHE  58  -1.198  -2.300   4.845
  413    HE2  PHE  58           HE2      PHE  58   0.296   1.568   5.999
  414    HZ   PHE  58           HZ       PHE  58   0.163  -0.901   6.377
  415    H    VAL  59           H        VAL  59  -4.249   0.558   0.157
  416    HA   VAL  59           HA       VAL  59  -5.120   3.131  -1.003
  417    HB   VAL  59           HB       VAL  59  -5.082   0.520  -2.583
  418   HG11  VAL  59          HG11      VAL  59  -5.927   3.340  -3.359
  419   HG12  VAL  59          HG12      VAL  59  -5.921   1.919  -4.428
  420   HG13  VAL  59          HG13      VAL  59  -7.035   1.983  -3.050
  421   HG21  VAL  59          HG21      VAL  59  -3.490   3.088  -2.980
  422   HG22  VAL  59          HG22      VAL  59  -2.823   1.503  -2.508
  423   HG23  VAL  59          HG23      VAL  59  -3.546   1.714  -4.112
  424    H    GLU  60           H        GLU  60  -6.949   3.409   0.231
  425    HA   GLU  60           HA       GLU  60  -8.660   1.171   0.957
  426    HB2  GLU  60           HB2      GLU  60  -9.160   4.181   0.948
  427    HB3  GLU  60           HB3      GLU  60 -10.232   2.960   1.660
  428    HG2  GLU  60           HG2      GLU  60  -8.360   2.239   3.157
  429    HG3  GLU  60           HG3      GLU  60  -7.381   3.579   2.526
  430    H    LEU  61           H        LEU  61 -10.803   0.768   0.099
  431    HA   LEU  61           HA       LEU  61 -11.268   1.919  -2.615
  432    HB2  LEU  61           HB2      LEU  61 -11.847  -0.961  -1.934
  433    HB3  LEU  61           HB3      LEU  61 -11.758  -0.209  -3.521
  434    HG   LEU  61           HG       LEU  61  -9.305  -0.442  -1.727
  435   HD11  LEU  61          HD11      LEU  61 -10.263  -2.673  -2.153
  436   HD12  LEU  61          HD12      LEU  61 -10.224  -2.334  -3.902
  437   HD13  LEU  61          HD13      LEU  61  -8.705  -2.434  -2.987
  438   HD21  LEU  61          HD21      LEU  61  -9.265   1.179  -3.670
  439   HD22  LEU  61          HD22      LEU  61  -8.096  -0.152  -3.828
  440   HD23  LEU  61          HD23      LEU  61  -9.615  -0.195  -4.746
  441    H    GLY  62           H        GLY  62 -13.639   0.840  -3.303
  442    HA2  GLY  62           HA2      GLY  62 -15.391   1.963  -1.181
  443    HA3  GLY  62           HA3      GLY  62 -15.725   1.846  -2.915
  444    H    SER  63           H        SER  63 -14.821  -1.082  -2.979
  445    HA   SER  63           HA       SER  63 -16.968  -2.348  -1.378
  446    HB2  SER  63           HB2      SER  63 -16.924  -2.380  -4.423
  447    HB3  SER  63           HB3      SER  63 -18.008  -3.339  -3.393
  448    HG   SER  63           HG       SER  63 -18.982  -1.405  -4.140
  449    H    GLU  64           H        GLU  64 -17.041  -4.738  -1.721
  450    HA   GLU  64           HA       GLU  64 -14.503  -5.992  -1.540
  451    HB2  GLU  64           HB2      GLU  64 -16.572  -6.986  -0.666
  452    HB3  GLU  64           HB3      GLU  64 -17.259  -7.067  -2.289
  453    HG2  GLU  64           HG2      GLU  64 -15.521  -8.661  -2.984
  454    HG3  GLU  64           HG3      GLU  64 -14.750  -8.539  -1.389
  455    H    ASP  65           H        ASP  65 -16.576  -5.225  -4.346
  456    HA   ASP  65           HA       ASP  65 -15.253  -7.033  -6.120
  457    HB2  ASP  65           HB2      ASP  65 -17.520  -5.937  -6.406
  458    HB3  ASP  65           HB3      ASP  65 -16.682  -4.429  -6.792
  459    H    ASP  66           H        ASP  66 -14.433  -3.823  -4.878
  460    HA   ASP  66           HA       ASP  66 -12.512  -3.201  -6.976
  461    HB2  ASP  66           HB2      ASP  66 -12.923  -2.119  -4.156
  462    HB3  ASP  66           HB3      ASP  66 -11.828  -1.442  -5.356
  463    H    VAL  67           H        VAL  67 -12.384  -4.600  -3.641
  464    HA   VAL  67           HA       VAL  67  -9.497  -4.643  -3.609
  465    HB   VAL  67           HB       VAL  67 -10.467  -4.683  -1.494
  466   HG11  VAL  67          HG11      VAL  67 -12.724  -5.319  -2.053
  467   HG12  VAL  67          HG12      VAL  67 -12.208  -7.022  -2.277
  468   HG13  VAL  67          HG13      VAL  67 -12.120  -6.254  -0.678
  469   HG21  VAL  67          HG21      VAL  67  -9.837  -7.612  -1.984
  470   HG22  VAL  67          HG22      VAL  67  -8.603  -6.349  -1.749
  471   HG23  VAL  67          HG23      VAL  67  -9.751  -6.734  -0.443
  472    H    LYS  68           H        LYS  68 -12.013  -7.033  -4.558
  473    HA   LYS  68           HA       LYS  68 -10.189  -9.155  -5.055
  474    HB2  LYS  68           HB2      LYS  68 -12.897  -8.397  -6.221
  475    HB3  LYS  68           HB3      LYS  68 -12.076  -9.933  -6.568
  476    HG2  LYS  68           HG2      LYS  68 -12.117 -10.590  -4.254
  477    HG3  LYS  68           HG3      LYS  68 -12.612  -8.977  -3.729
  478    HD2  LYS  68           HD2      LYS  68 -14.520 -10.487  -3.657
  479    HD3  LYS  68           HD3      LYS  68 -14.774  -9.240  -4.901
  480    HE2  LYS  68           HE2      LYS  68 -14.061 -10.829  -6.638
  481    HE3  LYS  68           HE3      LYS  68 -13.802 -12.071  -5.393
  482    HZ1  LYS  68           HZ1      LYS  68 -16.135 -11.940  -4.865
  483    HZ2  LYS  68           HZ2      LYS  68 -16.379 -10.791  -6.018
  484    HZ3  LYS  68           HZ3      LYS  68 -15.934 -12.312  -6.454
  485    H    MET  69           H        MET  69 -11.398  -6.486  -7.161
  486    HA   MET  69           HA       MET  69  -9.967  -7.399  -9.484
  487    HB2  MET  69           HB2      MET  69 -11.364  -4.836  -8.690
  488    HB3  MET  69           HB3      MET  69 -10.428  -4.944 -10.186
  489    HG2  MET  69           HG2      MET  69 -11.723  -7.029 -10.770
  490    HG3  MET  69           HG3      MET  69 -12.782  -6.693  -9.400
  491    HE1  MET  69           HE1      MET  69 -12.960  -3.534  -9.468
  492    HE2  MET  69           HE2      MET  69 -14.402  -3.262 -10.472
  493    HE3  MET  69           HE3      MET  69 -14.393  -4.562  -9.258
  494    H    ALA  70           H        ALA  70  -9.026  -5.389  -6.713
  495    HA   ALA  70           HA       ALA  70  -6.735  -4.207  -8.011
  496    HB1  ALA  70           HB1      ALA  70  -7.376  -4.688  -5.077
  497    HB2  ALA  70           HB2      ALA  70  -6.081  -3.635  -5.697
  498    HB3  ALA  70           HB3      ALA  70  -7.785  -3.235  -6.016
  499    H    LEU  71           H        LEU  71  -7.364  -7.268  -6.353
  500    HA   LEU  71           HA       LEU  71  -4.561  -7.982  -6.075
  501    HB2  LEU  71           HB2      LEU  71  -7.144  -9.560  -5.800
  502    HB3  LEU  71           HB3      LEU  71  -5.541 -10.143  -5.313
  503    HG   LEU  71           HG       LEU  71  -6.784  -7.578  -4.233
  504   HD11  LEU  71          HD11      LEU  71  -6.741 -10.349  -2.992
  505   HD12  LEU  71          HD12      LEU  71  -7.314  -8.851  -2.208
  506   HD13  LEU  71          HD13      LEU  71  -8.180  -9.500  -3.617
  507   HD21  LEU  71          HD21      LEU  71  -4.451  -9.260  -3.284
  508   HD22  LEU  71          HD22      LEU  71  -4.365  -7.661  -4.069
  509   HD23  LEU  71          HD23      LEU  71  -5.119  -7.820  -2.469
  510    H    LYS  72           H        LYS  72  -6.902  -8.130  -8.637
  511    HA   LYS  72           HA       LYS  72  -5.841 -10.401 -10.042
  512    HB2  LYS  72           HB2      LYS  72  -7.237  -7.937 -11.143
  513    HB3  LYS  72           HB3      LYS  72  -6.986  -9.463 -12.005
  514    HG2  LYS  72           HG2      LYS  72  -8.678  -9.048  -9.523
  515    HG3  LYS  72           HG3      LYS  72  -9.265  -9.366 -11.159
  516    HD2  LYS  72           HD2      LYS  72  -8.193 -11.608 -11.102
  517    HD3  LYS  72           HD3      LYS  72  -7.579 -11.270  -9.468
  518    HE2  LYS  72           HE2      LYS  72  -9.571 -12.594  -9.242
  519    HE3  LYS  72           HE3      LYS  72  -9.909 -10.951  -8.668
  520    HZ1  LYS  72           HZ1      LYS  72 -11.666 -11.794 -10.066
  521    HZ2  LYS  72           HZ2      LYS  72 -10.954 -10.500 -10.787
  522    HZ3  LYS  72           HZ3      LYS  72 -10.628 -12.022 -11.321
  523    H    LYS  73           H        LYS  73  -4.315  -7.408  -9.433
  524    HA   LYS  73           HA       LYS  73  -2.426  -7.970 -11.643
  525    HB2  LYS  73           HB2      LYS  73  -2.157  -5.588 -12.074
  526    HB3  LYS  73           HB3      LYS  73  -3.837  -6.055 -12.349
  527    HG2  LYS  73           HG2      LYS  73  -3.004  -5.002  -9.638
  528    HG3  LYS  73           HG3      LYS  73  -3.122  -3.886 -11.000
  529    HD2  LYS  73           HD2      LYS  73  -5.396  -5.730 -10.177
  530    HD3  LYS  73           HD3      LYS  73  -5.198  -4.079  -9.586
  531    HE2  LYS  73           HE2      LYS  73  -5.225  -3.241 -11.933
  532    HE3  LYS  73           HE3      LYS  73  -5.481  -4.901 -12.507
  533    HZ1  LYS  73           HZ1      LYS  73  -7.528  -4.945 -11.251
  534    HZ2  LYS  73           HZ2      LYS  73  -7.291  -3.403 -10.736
  535    HZ3  LYS  73           HZ3      LYS  73  -7.545  -3.699 -12.334
  536    H    ASP  74           H        ASP  74  -2.545  -8.664  -8.856
  537    HA   ASP  74           HA       ASP  74  -1.146  -7.176  -7.085
  538    HB2  ASP  74           HB2      ASP  74  -0.697  -9.234  -5.912
  539    HB3  ASP  74           HB3      ASP  74  -2.313  -9.250  -6.622
  540    H    ARG  75           H        ARG  75   0.470  -8.462  -9.924
  541    HA   ARG  75           HA       ARG  75   2.972  -7.445  -8.724
  542    HB2  ARG  75           HB2      ARG  75   2.961 -10.028 -10.291
  543    HB3  ARG  75           HB3      ARG  75   4.268  -9.335  -9.298
  544    HG2  ARG  75           HG2      ARG  75   2.942  -9.723  -7.258
  545    HG3  ARG  75           HG3      ARG  75   1.626 -10.402  -8.244
  546    HD2  ARG  75           HD2      ARG  75   3.164 -12.094  -9.142
  547    HD3  ARG  75           HD3      ARG  75   4.462 -11.428  -8.135
  548    HE   ARG  75           HE       ARG  75   2.329 -12.017  -6.399
  549   HH11  ARG  75          HH11      ARG  75   4.487 -13.812  -8.557
  550   HH12  ARG  75          HH12      ARG  75   4.374 -15.285  -7.625
  551   HH21  ARG  75          HH21      ARG  75   2.200 -13.930  -5.220
  552   HH22  ARG  75          HH22      ARG  75   3.085 -15.354  -5.722
  553    H    GLU  76           H        GLU  76   0.951  -6.560 -10.902
  554    HA   GLU  76           HA       GLU  76   2.345  -6.782 -13.416
  555    HB2  GLU  76           HB2      GLU  76   0.209  -4.825 -12.519
  556    HB3  GLU  76           HB3      GLU  76   0.787  -5.033 -14.182
  557    HG2  GLU  76           HG2      GLU  76  -0.646  -7.036 -12.461
  558    HG3  GLU  76           HG3      GLU  76  -1.219  -6.294 -13.959
  559    H    SER  77           H        SER  77   2.282  -4.237 -14.430
  560    HA   SER  77           HA       SER  77   4.540  -2.862 -13.052
  561    HB2  SER  77           HB2      SER  77   4.557  -3.888 -15.914
  562    HB3  SER  77           HB3      SER  77   5.846  -2.939 -15.135
  563    HG   SER  77           HG       SER  77   6.247  -5.202 -15.110
  564    H    MET  78           H        MET  78   5.260  -0.953 -14.536
  565    HA   MET  78           HA       MET  78   2.928   0.370 -15.864
  566    HB2  MET  78           HB2      MET  78   4.982   1.580 -13.965
  567    HB3  MET  78           HB3      MET  78   3.864   2.521 -14.958
  568    HG2  MET  78           HG2      MET  78   1.950   1.578 -13.775
  569    HG3  MET  78           HG3      MET  78   3.025   0.548 -12.809
  570    HE1  MET  78           HE1      MET  78   1.755   3.265 -10.219
  571    HE2  MET  78           HE2      MET  78   0.818   2.735 -11.630
  572    HE3  MET  78           HE3      MET  78   1.742   1.543 -10.680
  573    H    GLY  79           H        GLY  79   6.405  -0.177 -15.559
  574    HA2  GLY  79           HA2      GLY  79   7.382  -0.351 -17.948
  575    HA3  GLY  79           HA3      GLY  79   6.960   1.372 -18.029
  576    H    HIS  80           H        HIS  80   9.598  -0.176 -17.950
  577    HA   HIS  80           HA       HIS  80  11.628  -0.196 -17.015
  578    HB2  HIS  80           HB2      HIS  80  10.903   2.623 -16.171
  579    HB3  HIS  80           HB3      HIS  80  12.530   1.956 -16.362
  580    HD1  HIS  80           HD1      HIS  80   9.964   3.779 -18.314
  581    HD2  HIS  80           HD2      HIS  80  13.082   1.050 -19.029
  582    HE1  HIS  80           HE1      HIS  80  10.508   3.931 -20.803
  583    H    ARG  81           H        ARG  81   9.033  -0.259 -14.927
  584    HA   ARG  81           HA       ARG  81  10.632  -1.375 -12.805
  585    HB2  ARG  81           HB2      ARG  81  10.574   1.286 -12.555
  586    HB3  ARG  81           HB3      ARG  81   8.948   0.965 -11.928
  587    HG2  ARG  81           HG2      ARG  81  10.486   0.986 -10.055
  588    HG3  ARG  81           HG3      ARG  81  10.003  -0.696 -10.337
  589    HD2  ARG  81           HD2      ARG  81  12.142  -0.959 -11.713
  590    HD3  ARG  81           HD3      ARG  81  12.605   0.652 -11.141
  591    HE   ARG  81           HE       ARG  81  11.888  -1.171  -8.986
  592   HH11  ARG  81          HH11      ARG  81  14.499  -0.166 -11.159
  593   HH12  ARG  81          HH12      ARG  81  15.760  -0.719 -10.079
  594   HH21  ARG  81          HH21      ARG  81  13.586  -1.915  -7.619
  595   HH22  ARG  81          HH22      ARG  81  15.253  -1.675  -8.098
  596    H    TYR  82           H        TYR  82   9.000  -1.914 -10.855
  597    HA   TYR  82           HA       TYR  82   6.436  -2.696 -12.098
  598    HB2  TYR  82           HB2      TYR  82   6.927  -4.797 -12.338
  599    HB3  TYR  82           HB3      TYR  82   8.607  -4.367 -12.100
  600    HD1  TYR  82           HD1      TYR  82   5.640  -5.943 -10.694
  601    HD2  TYR  82           HD2      TYR  82   9.756  -4.909  -9.944
  602    HE1  TYR  82           HE1      TYR  82   5.694  -7.569  -8.833
  603    HE2  TYR  82           HE2      TYR  82   9.824  -6.552  -8.100
  604    HH   TYR  82           HH       TYR  82   6.945  -8.470  -7.144
  605    H    ILE  83           H        ILE  83   5.011  -3.936 -10.517
  606    HA   ILE  83           HA       ILE  83   4.938  -2.253  -8.065
  607    HB   ILE  83           HB       ILE  83   2.469  -2.927  -9.641
  608   HG12  ILE  83          HG12      ILE  83   3.906  -1.912 -11.332
  609   HG13  ILE  83          HG13      ILE  83   2.543  -0.882 -10.915
  610   HG21  ILE  83          HG21      ILE  83   3.260  -0.621  -7.818
  611   HG22  ILE  83          HG22      ILE  83   1.691  -0.774  -8.648
  612   HG23  ILE  83          HG23      ILE  83   2.165  -1.964  -7.425
  613   HD11  ILE  83          HD11      ILE  83   4.683   0.344 -11.217
  614   HD12  ILE  83          HD12      ILE  83   3.955   0.594  -9.611
  615   HD13  ILE  83          HD13      ILE  83   5.351  -0.487  -9.809
  616    H    GLU  84           H        GLU  84   3.356  -3.096  -6.447
  617    HA   GLU  84           HA       GLU  84   2.830  -6.008  -6.604
  618    HB2  GLU  84           HB2      GLU  84   4.765  -4.533  -4.853
  619    HB3  GLU  84           HB3      GLU  84   3.856  -5.881  -4.123
  620    HG2  GLU  84           HG2      GLU  84   5.555  -6.036  -6.649
  621    HG3  GLU  84           HG3      GLU  84   6.072  -6.555  -5.036
  622    H    VAL  85           H        VAL  85   1.140  -6.695  -5.234
  623    HA   VAL  85           HA       VAL  85  -0.239  -4.617  -3.608
  624    HB   VAL  85           HB       VAL  85  -1.778  -6.489  -5.422
  625   HG11  VAL  85          HG11      VAL  85  -3.567  -4.841  -5.154
  626   HG12  VAL  85          HG12      VAL  85  -3.021  -5.431  -3.578
  627   HG13  VAL  85          HG13      VAL  85  -2.504  -3.825  -4.154
  628   HG21  VAL  85          HG21      VAL  85  -0.942  -3.643  -6.108
  629   HG22  VAL  85          HG22      VAL  85  -0.393  -5.117  -6.943
  630   HG23  VAL  85          HG23      VAL  85  -2.096  -4.647  -7.024
  631    H    PHE  86           H        PHE  86  -1.626  -5.526  -1.965
  632    HA   PHE  86           HA       PHE  86  -1.783  -8.445  -1.637
  633    HB2  PHE  86           HB2      PHE  86   0.399  -7.737  -0.685
  634    HB3  PHE  86           HB3      PHE  86  -0.430  -6.668   0.431
  635    HD1  PHE  86           HD1      PHE  86  -2.087  -7.808   2.048
  636    HD2  PHE  86           HD2      PHE  86   1.006  -9.923  -0.031
  637    HE1  PHE  86           HE1      PHE  86  -2.291  -9.687   3.668
  638    HE2  PHE  86           HE2      PHE  86   0.799 -11.798   1.553
  639    HZ   PHE  86           HZ       PHE  86  -0.853 -11.696   3.405
  640    H    LYS  87           H        LYS  87  -3.401  -8.990   0.064
  641    HA   LYS  87           HA       LYS  87  -5.548  -7.027  -0.027
  642    HB2  LYS  87           HB2      LYS  87  -5.777  -9.489  -0.445
  643    HB3  LYS  87           HB3      LYS  87  -5.473  -9.773   1.285
  644    HG2  LYS  87           HG2      LYS  87  -7.428  -8.342   1.824
  645    HG3  LYS  87           HG3      LYS  87  -7.687  -8.065   0.088
  646    HD2  LYS  87           HD2      LYS  87  -8.036 -10.503  -0.238
  647    HD3  LYS  87           HD3      LYS  87  -7.789 -10.765   1.504
  648    HE2  LYS  87           HE2      LYS  87  -9.718  -9.246   1.969
  649    HE3  LYS  87           HE3      LYS  87  -9.989  -9.085   0.224
  650    HZ1  LYS  87           HZ1      LYS  87 -10.346 -11.466   0.137
  651    HZ2  LYS  87           HZ2      LYS  87 -10.105 -11.598   1.760
  652    HZ3  LYS  87           HZ3      LYS  87 -11.401 -10.763   1.186
  653    H    SER  88           H        SER  88  -6.598  -6.057   1.727
  654    HA   SER  88           HA       SER  88  -5.123  -6.164   4.319
  655    HB2  SER  88           HB2      SER  88  -4.315  -4.283   2.897
  656    HB3  SER  88           HB3      SER  88  -5.957  -3.614   2.913
  657    HG   SER  88           HG       SER  88  -4.555  -2.754   4.555
  658    H    HIS  89           H        HIS  89  -6.404  -4.458   5.833
  659    HA   HIS  89           HA       HIS  89  -9.297  -5.032   5.729
  660    HB2  HIS  89           HB2      HIS  89  -9.143  -5.988   8.073
  661    HB3  HIS  89           HB3      HIS  89  -8.469  -7.011   6.797
  662    HD1  HIS  89           HD1      HIS  89  -7.424  -5.249   9.969
  663    HD2  HIS  89           HD2      HIS  89  -5.723  -7.138   6.624
  664    HE1  HIS  89           HE1      HIS  89  -4.961  -5.667  10.534
  665    H    ARG  90           H        ARG  90  -6.915  -2.831   6.174
  666    HA   ARG  90           HA       ARG  90  -7.174  -0.616   6.566
  667    HB2  ARG  90           HB2      ARG  90  -9.704  -1.173   6.297
  668    HB3  ARG  90           HB3      ARG  90  -9.758  -1.027   8.066
  669    HG2  ARG  90           HG2      ARG  90  -8.680   1.261   7.806
  670    HG3  ARG  90           HG3      ARG  90  -8.883   1.083   6.051
  671    HD2  ARG  90           HD2      ARG  90 -11.045   1.172   8.186
  672    HD3  ARG  90           HD3      ARG  90 -10.754   2.361   6.912
  673    HE   ARG  90           HE       ARG  90 -12.066  -0.272   6.664
  674   HH11  ARG  90          HH11      ARG  90 -10.767   2.551   4.947
  675   HH12  ARG  90          HH12      ARG  90 -11.732   2.249   3.523
  676   HH21  ARG  90          HH21      ARG  90 -13.279  -0.628   4.784
  677   HH22  ARG  90          HH22      ARG  90 -13.114   0.444   3.415
  678    H    THR  91           H        THR  91  -7.680  -2.930   9.219
  679    HA   THR  91           HA       THR  91  -7.140  -1.037  11.325
  680    HB   THR  91           HB       THR  91  -6.715  -4.051  11.293
  681    HG1  THR  91           HG1      THR  91  -8.828  -4.045  12.185
  682   HG21  THR  91          HG21      THR  91  -7.083  -3.826  13.739
  683   HG22  THR  91          HG22      THR  91  -5.650  -2.930  13.200
  684   HG23  THR  91          HG23      THR  91  -7.159  -2.057  13.553
  685    H    GLU  92           H        GLU  92  -5.085  -3.285   9.403
  686    HA   GLU  92           HA       GLU  92  -2.624  -2.634  10.753
  687    HB2  GLU  92           HB2      GLU  92  -2.995  -4.626   9.276
  688    HB3  GLU  92           HB3      GLU  92  -3.134  -3.528   7.882
  689    HG2  GLU  92           HG2      GLU  92  -0.842  -2.708   8.301
  690    HG3  GLU  92           HG3      GLU  92  -0.705  -3.778   9.704
  691    H    MET  93           H        MET  93  -4.378  -1.310   7.941
  692    HA   MET  93           HA       MET  93  -2.359   0.431   7.024
  693    HB2  MET  93           HB2      MET  93  -4.349  -0.215   5.756
  694    HB3  MET  93           HB3      MET  93  -5.396   0.643   6.892
  695    HG2  MET  93           HG2      MET  93  -3.187   2.031   5.352
  696    HG3  MET  93           HG3      MET  93  -4.800   1.807   4.680
  697    HE1  MET  93           HE1      MET  93  -7.096   3.979   6.898
  698    HE2  MET  93           HE2      MET  93  -6.961   2.850   5.528
  699    HE3  MET  93           HE3      MET  93  -6.742   2.262   7.192
  700    H    ASP  94           H        ASP  94  -4.985   0.961   9.446
  701    HA   ASP  94           HA       ASP  94  -4.444   3.741   9.795
  702    HB2  ASP  94           HB2      ASP  94  -6.528   2.476  10.395
  703    HB3  ASP  94           HB3      ASP  94  -5.648   1.779  11.758
  704    H    TRP  95           H        TRP  95  -3.018   0.828  11.156
  705    HA   TRP  95           HA       TRP  95  -1.896   2.084  13.503
  706    HB2  TRP  95           HB2      TRP  95  -2.379  -0.306  13.381
  707    HB3  TRP  95           HB3      TRP  95  -1.249  -0.500  12.050
  708    HD1  TRP  95           HD1      TRP  95  -1.242   0.382  15.801
  709    HE1  TRP  95           HE1      TRP  95   1.002  -0.269  16.826
  710    HE3  TRP  95           HE3      TRP  95   1.171  -1.112  11.550
  711    HZ2  TRP  95           HZ2      TRP  95   3.550  -1.296  15.911
  712    HZ3  TRP  95           HZ3      TRP  95   3.508  -1.911  11.654
  713    HH2  TRP  95           HH2      TRP  95   4.708  -2.009  13.824
  714    H    VAL  96           H        VAL  96  -0.351   0.921  10.425
  715    HA   VAL  96           HA       VAL  96   2.211   2.024  11.220
  716    HB   VAL  96           HB       VAL  96   2.092   0.028   9.861
  717   HG11  VAL  96          HG11      VAL  96   0.582   1.786   7.943
  718   HG12  VAL  96          HG12      VAL  96   1.376   0.255   7.470
  719   HG13  VAL  96          HG13      VAL  96   0.079   0.243   8.683
  720   HG21  VAL  96          HG21      VAL  96   3.662   0.624   8.115
  721   HG22  VAL  96          HG22      VAL  96   3.172   2.327   8.199
  722   HG23  VAL  96          HG23      VAL  96   4.027   1.576   9.570
  723    H    LEU  97           H        LEU  97  -0.584   3.344   9.521
  724    HA   LEU  97           HA       LEU  97   0.779   5.552   8.298
  725    HB2  LEU  97           HB2      LEU  97  -1.980   4.670   8.855
  726    HB3  LEU  97           HB3      LEU  97  -1.800   6.412   8.978
  727    HG   LEU  97           HG       LEU  97  -2.529   5.748   6.755
  728   HD11  LEU  97          HD11      LEU  97   0.319   6.823   6.744
  729   HD12  LEU  97          HD12      LEU  97  -0.892   7.012   5.458
  730   HD13  LEU  97          HD13      LEU  97  -1.154   7.775   7.043
  731   HD21  LEU  97          HD21      LEU  97  -1.502   3.546   6.538
  732   HD22  LEU  97          HD22      LEU  97  -1.010   4.585   5.204
  733   HD23  LEU  97          HD23      LEU  97   0.124   4.275   6.537
  734    H    LYS  98           H        LYS  98   0.564   4.756  11.560
  735    HA   LYS  98           HA       LYS  98   0.778   7.595  12.414
  736    HB2  LYS  98           HB2      LYS  98  -0.868   5.393  13.698
  737    HB3  LYS  98           HB3      LYS  98  -0.579   7.006  14.381
  738    HG2  LYS  98           HG2      LYS  98  -1.626   8.034  12.365
  739    HG3  LYS  98           HG3      LYS  98  -1.967   6.407  11.731
  740    HD2  LYS  98           HD2      LYS  98  -3.260   5.901  13.790
  741    HD3  LYS  98           HD3      LYS  98  -2.988   7.574  14.343
  742    HE2  LYS  98           HE2      LYS  98  -4.169   8.445  12.378
  743    HE3  LYS  98           HE3      LYS  98  -4.332   6.806  11.717
  744    HZ1  LYS  98           HZ1      LYS  98  -5.546   7.740  14.228
  745    HZ2  LYS  98           HZ2      LYS  98  -6.337   7.530  12.800
  746    HZ3  LYS  98           HZ3      LYS  98  -5.698   6.232  13.579
  747    H    HIS  99           H        HIS  99   2.461   4.819  12.099
  748    HA   HIS  99           HA       HIS  99   4.066   5.331  14.528
  749    HB2  HIS  99           HB2      HIS  99   2.923   2.616  13.760
  750    HB3  HIS  99           HB3      HIS  99   4.177   2.872  14.979
  751    HD1  HIS  99           HD1      HIS  99   0.428   3.139  14.541
  752    HD2  HIS  99           HD2      HIS  99   3.439   4.144  17.292
  753    HE1  HIS  99           HE1      HIS  99  -0.752   3.693  16.743
  754    H    SER 100           H        SER 100   4.142   5.417  11.348
  755    HA   SER 100           HA       SER 100   6.169   3.630  10.504
  756    HB2  SER 100           HB2      SER 100   6.495   5.254   8.676
  757    HB3  SER 100           HB3      SER 100   4.772   4.945   8.976
  758    HG   SER 100           HG       SER 100   5.274   7.181   8.754
  759    H    GLY 101           H        GLY 101   8.411   4.092   9.975
  760    HA2  GLY 101           HA2      GLY 101   9.883   6.281  10.901
  761    HA3  GLY 101           HA3      GLY 101   9.879   5.092  12.212
  762    HA   PRO 102           HA       PRO 102  13.218   4.092   9.033
  763    HB2  PRO 102           HB2      PRO 102  15.416   4.486  10.618
  764    HB3  PRO 102           HB3      PRO 102  14.621   5.812   9.709
  765    HG2  PRO 102           HG2      PRO 102  14.236   5.054  12.619
  766    HG3  PRO 102           HG3      PRO 102  14.533   6.685  11.928
  767    HD2  PRO 102           HD2      PRO 102  12.021   5.807  12.539
  768    HD3  PRO 102           HD3      PRO 102  12.325   6.832  11.102
  769    H5'    A   1           H5'        A   1  21.772  -1.255  -4.520
  770   H5''    A   1          H5''        A   1  21.115  -0.827  -2.921
  771    H4'    A   1           H4'        A   1  19.720  -2.824  -4.733
  772    H3'    A   1           H3'        A   1  20.117  -0.293  -5.632
  773    H2'    A   1           H2'        A   1  19.751   0.567  -3.325
  774   HO2'    A   1          HO2'        A   1  17.841   1.846  -3.656
  775    H1'    A   1           H1'        A   1  17.199  -1.037  -3.603
  776    H8     A   1           H8         A   1  17.731  -2.180  -0.735
  777    H61    A   1           H61        A   1  15.968   2.895   2.402
  778    H62    A   1           H62        A   1  16.323   1.185   2.543
  779    H2     A   1           H2         A   1  16.792   4.061  -1.805
  780   HO5'    A   1          HO5'        A   1  21.221  -3.051  -2.376
  781    H5'    G   2           H5'        G   2  17.305  -5.155  -6.246
  782   H5''    G   2          H5''        G   2  16.275  -3.927  -7.014
  783    H4'    G   2           H4'        G   2  17.519  -3.238  -4.392
  784    H3'    G   2           H3'        G   2  15.213  -5.185  -4.693
  785    H2'    G   2           H2'        G   2  14.685  -4.443  -2.502
  786   HO2'    G   2          HO2'        G   2  16.799  -4.508  -1.633
  787    H1'    G   2           H1'        G   2  15.590  -1.812  -3.122
  788    H8     G   2           H8         G   2  13.143  -3.665  -1.892
  789    H1     G   2           H1         G   2  10.270   0.421  -5.883
  790    H21    G   2           H21        G   2  11.744   1.203  -7.358
  791    H22    G   2           H22        G   2  13.420   0.689  -7.348
  792    H5'    G   3           H5'        G   3  15.106  -8.908  -4.239
  793   H5''    G   3          H5''        G   3  15.072  -7.366  -5.124
  794    H4'    G   3           H4'        G   3  12.772  -8.397  -3.415
  795    H3'    G   3           H3'        G   3  13.577  -9.476  -5.895
  796    H2'    G   3           H2'        G   3  13.119  -7.506  -7.100
  797   HO2'    G   3          HO2'        G   3  10.636  -8.892  -6.889
  798    H1'    G   3           H1'        G   3  10.719  -7.081  -5.284
  799    H8     G   3           H8         G   3  13.572  -5.177  -7.161
  800    H1     G   3           H1         G   3   7.778  -2.482  -7.509
  801    H21    G   3           H21        G   3   6.369  -3.518  -6.152
  802    H22    G   3           H22        G   3   6.847  -4.932  -5.240
  803    H5'    G   4           H5'        G   4  10.958 -11.414  -1.507
  804   H5''    G   4          H5''        G   4  10.550  -9.885  -2.310
  805    H4'    G   4           H4'        G   4  12.686 -10.304  -0.170
  806    H3'    G   4           H3'        G   4   9.999  -8.958  -0.259
  807    H2'    G   4           H2'        G   4  10.746  -7.181   1.136
  808   HO2'    G   4          HO2'        G   4  12.166  -8.384   2.508
  809    H1'    G   4           H1'        G   4  12.871  -6.669  -0.382
  810    H8     G   4           H8         G   4  10.682  -8.112  -2.993
  811    H1     G   4           H1         G   4   8.741  -2.302  -1.112
  812    H21    G   4           H21        G   4   9.701  -1.769   0.831
  813    H22    G   4           H22        G   4  10.855  -2.836   1.608
  814    H5'    A   5           H5'        A   5   6.774  -8.847   2.365
  815   H5''    A   5          H5''        A   5   7.565  -9.847   1.134
  816    H4'    A   5           H4'        A   5   7.053  -6.845   0.931
  817    H3'    A   5           H3'        A   5   5.589  -9.265   0.036
  818    H2'    A   5           H2'        A   5   5.472  -8.681  -2.263
  819   HO2'    A   5          HO2'        A   5   6.333  -6.089  -1.416
  820    H1'    A   5           H1'        A   5   7.947  -7.784  -2.603
  821    H8     A   5           H8         A   5   8.791 -10.435  -0.174
  822    H61    A   5           H61        A   5   7.401 -14.530  -4.646
  823    H62    A   5           H62        A   5   8.091 -14.352  -3.045
  824    H2     A   5           H2         A   5   6.137 -10.486  -5.990
  825    H5'    U   6           H5'        U   6   3.578  -7.929  -2.472
  826   H5''    U   6          H5''        U   6   1.861  -7.918  -2.075
  827    H4'    U   6           H4'        U   6   2.009  -9.314  -3.975
  828    H3'    U   6           H3'        U   6   1.843 -10.961  -1.462
  829   HO3'    U   6          HO3'        U   6   0.044  -9.664  -2.445
  830    H2'    U   6           H2'        U   6   1.919 -12.935  -2.714
  831   HO2'    U   6          HO2'        U   6   0.499 -12.056  -4.445
  832    H1'    U   6           H1'        U   6   3.947 -12.227  -4.380
  833    H3     U   6           H3         U   6   5.204 -15.127  -0.964
  834    H5     U   6           H5         U   6   5.430 -11.218   0.592
  835    H6     U   6           H6         U   6   4.525 -10.421  -1.465
  Start of MODEL   20
    1    H    MET   1           H        MET   1 -11.099 -14.398  20.873
    2    HA   MET   1           HA       MET   1 -11.721 -11.723  21.900
    3    HB2  MET   1           HB2      MET   1  -9.569 -11.783  23.023
    4    HB3  MET   1           HB3      MET   1 -10.568 -13.144  23.559
    5    HG2  MET   1           HG2      MET   1  -9.351 -14.642  22.002
    6    HG3  MET   1           HG3      MET   1  -8.362 -13.278  21.465
    7    HE1  MET   1           HE1      MET   1  -5.798 -15.462  23.409
    8    HE2  MET   1           HE2      MET   1  -7.157 -16.023  22.408
    9    HE3  MET   1           HE3      MET   1  -6.182 -14.629  21.884
   10    H    MET   2           H        MET   2  -9.774 -10.215  21.382
   11    HA   MET   2           HA       MET   2  -8.551 -10.813  18.766
   12    HB2  MET   2           HB2      MET   2  -9.351  -8.663  17.816
   13    HB3  MET   2           HB3      MET   2 -10.662  -9.810  18.138
   14    HG2  MET   2           HG2      MET   2 -11.159  -8.645  20.266
   15    HG3  MET   2           HG3      MET   2  -9.872  -7.484  19.928
   16    HE1  MET   2           HE1      MET   2 -11.537  -5.506  20.342
   17    HE2  MET   2           HE2      MET   2 -13.121  -5.351  19.548
   18    HE3  MET   2           HE3      MET   2 -12.828  -6.679  20.695
   19    H    LEU   3           H        LEU   3  -8.373  -9.517  21.865
   20    HA   LEU   3           HA       LEU   3  -6.903  -8.245  22.999
   21    HB2  LEU   3           HB2      LEU   3  -4.992  -9.564  21.041
   22    HB3  LEU   3           HB3      LEU   3  -4.558  -8.887  22.619
   23    HG   LEU   3           HG       LEU   3  -6.462 -11.224  22.158
   24   HD11  LEU   3          HD11      LEU   3  -3.642 -11.100  23.299
   25   HD12  LEU   3          HD12      LEU   3  -4.662 -12.553  23.189
   26   HD13  LEU   3          HD13      LEU   3  -4.094 -11.758  21.707
   27   HD21  LEU   3          HD21      LEU   3  -5.390  -9.971  24.723
   28   HD22  LEU   3          HD22      LEU   3  -7.085  -9.962  24.178
   29   HD23  LEU   3          HD23      LEU   3  -6.308 -11.491  24.629
   30    H    GLY   4           H        GLY   4  -8.011  -6.796  20.549
   31    HA2  GLY   4           HA2      GLY   4  -6.517  -4.407  20.909
   32    HA3  GLY   4           HA3      GLY   4  -6.001  -5.178  19.403
   33    HA   PRO   5           HA       PRO   5  -9.944  -2.679  18.735
   34    HB2  PRO   5           HB2      PRO   5  -8.949  -0.593  17.302
   35    HB3  PRO   5           HB3      PRO   5  -8.864  -0.633  19.096
   36    HG2  PRO   5           HG2      PRO   5  -6.708  -1.431  17.115
   37    HG3  PRO   5           HG3      PRO   5  -6.555  -0.325  18.521
   38    HD2  PRO   5           HD2      PRO   5  -5.863  -2.967  18.666
   39    HD3  PRO   5           HD3      PRO   5  -6.626  -2.124  20.051
   40    H    GLU   6           H        GLU   6 -10.879  -2.085  16.566
   41    HA   GLU   6           HA       GLU   6  -9.629  -3.364  14.212
   42    HB2  GLU   6           HB2      GLU   6 -12.351  -4.076  15.379
   43    HB3  GLU   6           HB3      GLU   6 -11.862  -4.472  13.728
   44    HG2  GLU   6           HG2      GLU   6 -10.454  -5.436  16.249
   45    HG3  GLU   6           HG3      GLU   6 -11.599  -6.374  15.287
   46    H    GLY   7           H        GLY   7 -11.073  -2.877  12.229
   47    HA2  GLY   7           HA2      GLY   7 -12.945  -0.691  12.424
   48    HA3  GLY   7           HA3      GLY   7 -11.351  -0.139  11.873
   49    H    GLY   8           H        GLY   8 -11.648  -3.317  10.781
   50    HA2  GLY   8           HA2      GLY   8 -13.460  -3.093   8.613
   51    HA3  GLY   8           HA3      GLY   8 -11.867  -2.569   8.058
   52    H    GLU   9           H        GLU   9 -12.559  -4.525   6.683
   53    HA   GLU   9           HA       GLU   9 -10.980  -6.832   7.558
   54    HB2  GLU   9           HB2      GLU   9 -12.803  -8.432   7.155
   55    HB3  GLU   9           HB3      GLU   9 -13.183  -7.341   8.509
   56    HG2  GLU   9           HG2      GLU   9 -14.626  -5.998   7.135
   57    HG3  GLU   9           HG3      GLU   9 -14.015  -6.772   5.668
   58    H    GLY  10           H        GLY  10 -11.993  -4.672   5.166
   59    HA2  GLY  10           HA2      GLY  10 -10.526  -5.772   3.075
   60    HA3  GLY  10           HA3      GLY  10 -12.168  -6.404   2.898
   61    H    PHE  11           H        PHE  11 -11.858  -5.181   0.844
   62    HA   PHE  11           HA       PHE  11 -12.359  -3.525  -0.572
   63    HB2  PHE  11           HB2      PHE  11 -13.581  -2.001   1.704
   64    HB3  PHE  11           HB3      PHE  11 -13.873  -1.765  -0.005
   65    HD1  PHE  11           HD1      PHE  11 -13.958  -5.287   0.433
   66    HD2  PHE  11           HD2      PHE  11 -16.201  -1.711   1.270
   67    HE1  PHE  11           HE1      PHE  11 -15.998  -6.631   0.718
   68    HE2  PHE  11           HE2      PHE  11 -18.265  -3.065   1.486
   69    HZ   PHE  11           HZ       PHE  11 -18.162  -5.533   1.226
   70    H    VAL  12           H        VAL  12  -9.962  -3.707   1.103
   71    HA   VAL  12           HA       VAL  12  -8.825  -1.047   0.489
   72    HB   VAL  12           HB       VAL  12  -8.314  -2.514   3.115
   73   HG11  VAL  12          HG11      VAL  12  -6.466  -1.069   2.342
   74   HG12  VAL  12          HG12      VAL  12  -7.589   0.292   2.166
   75   HG13  VAL  12          HG13      VAL  12  -7.248  -0.377   3.775
   76   HG21  VAL  12          HG21      VAL  12 -10.590  -1.713   3.239
   77   HG22  VAL  12          HG22      VAL  12  -9.551  -0.670   4.229
   78   HG23  VAL  12          HG23      VAL  12 -10.106  -0.105   2.635
   79    H    VAL  13           H        VAL  13  -6.607  -1.254  -0.071
   80    HA   VAL  13           HA       VAL  13  -5.424  -3.979   0.223
   81    HB   VAL  13           HB       VAL  13  -4.281  -3.683  -1.953
   82   HG11  VAL  13          HG11      VAL  13  -6.245  -5.173  -1.621
   83   HG12  VAL  13          HG12      VAL  13  -7.323  -3.841  -2.104
   84   HG13  VAL  13          HG13      VAL  13  -6.156  -4.521  -3.267
   85   HG21  VAL  13          HG21      VAL  13  -4.640  -1.259  -2.255
   86   HG22  VAL  13          HG22      VAL  13  -5.264  -2.183  -3.635
   87   HG23  VAL  13          HG23      VAL  13  -6.391  -1.531  -2.424
   88    H    LYS  14           H        LYS  14  -3.082  -3.901  -0.397
   89    HA   LYS  14           HA       LYS  14  -1.773  -1.590   0.938
   90    HB2  LYS  14           HB2      LYS  14  -2.090  -3.621   2.322
   91    HB3  LYS  14           HB3      LYS  14  -1.263  -4.597   1.094
   92    HG2  LYS  14           HG2      LYS  14   0.732  -3.257   1.344
   93    HG3  LYS  14           HG3      LYS  14  -0.058  -2.207   2.543
   94    HD2  LYS  14           HD2      LYS  14   1.175  -4.871   2.939
   95    HD3  LYS  14           HD3      LYS  14   0.895  -3.563   4.085
   96    HE2  LYS  14           HE2      LYS  14  -1.509  -4.238   4.219
   97    HE3  LYS  14           HE3      LYS  14  -1.202  -5.582   3.133
   98    HZ1  LYS  14           HZ1      LYS  14  -1.112  -6.271   5.416
   99    HZ2  LYS  14           HZ2      LYS  14   0.375  -6.444   4.736
  100    HZ3  LYS  14           HZ3      LYS  14   0.081  -5.189   5.758
  101    H    LEU  15           H        LEU  15   0.168  -0.940  -0.041
  102    HA   LEU  15           HA       LEU  15   0.625  -2.076  -2.764
  103    HB2  LEU  15           HB2      LEU  15  -0.670   0.220  -2.212
  104    HB3  LEU  15           HB3      LEU  15   0.974   0.826  -2.098
  105    HG   LEU  15           HG       LEU  15   0.115   1.287  -4.250
  106   HD11  LEU  15          HD11      LEU  15   2.502   0.502  -4.169
  107   HD12  LEU  15          HD12      LEU  15   1.920  -1.114  -4.674
  108   HD13  LEU  15          HD13      LEU  15   1.706   0.282  -5.742
  109   HD21  LEU  15          HD21      LEU  15  -0.709  -0.418  -5.805
  110   HD22  LEU  15          HD22      LEU  15  -0.455  -1.680  -4.576
  111   HD23  LEU  15          HD23      LEU  15  -1.670  -0.408  -4.311
  112    H    ARG  16           H        ARG  16   2.723  -2.134  -3.480
  113    HA   ARG  16           HA       ARG  16   4.930  -0.978  -1.917
  114    HB2  ARG  16           HB2      ARG  16   4.229  -3.303  -0.993
  115    HB3  ARG  16           HB3      ARG  16   4.845  -3.967  -2.497
  116    HG2  ARG  16           HG2      ARG  16   6.392  -2.490  -0.335
  117    HG3  ARG  16           HG3      ARG  16   6.490  -4.196  -0.765
  118    HD2  ARG  16           HD2      ARG  16   8.412  -3.312  -1.705
  119    HD3  ARG  16           HD3      ARG  16   7.304  -3.384  -3.087
  120    HE   ARG  16           HE       ARG  16   7.304  -0.842  -1.603
  121   HH11  ARG  16          HH11      ARG  16   8.910  -2.643  -4.179
  122   HH12  ARG  16          HH12      ARG  16   9.361  -1.200  -5.061
  123   HH21  ARG  16          HH21      ARG  16   7.931   0.982  -2.710
  124   HH22  ARG  16          HH22      ARG  16   8.803   0.883  -4.225
  125    H    GLY  17           H        GLY  17   5.395   0.280  -3.860
  126    HA2  GLY  17           HA2      GLY  17   6.698  -1.311  -5.940
  127    HA3  GLY  17           HA3      GLY  17   5.190  -0.564  -6.468
  128    H    LEU  18           H        LEU  18   7.506  -0.056  -7.719
  129    HA   LEU  18           HA       LEU  18   8.655   1.596  -8.673
  130    HB2  LEU  18           HB2      LEU  18   7.053   3.514  -6.935
  131    HB3  LEU  18           HB3      LEU  18   7.947   3.913  -8.397
  132    HG   LEU  18           HG       LEU  18   5.445   2.219  -8.174
  133   HD11  LEU  18          HD11      LEU  18   4.604   3.897  -9.777
  134   HD12  LEU  18          HD12      LEU  18   5.198   4.679  -8.294
  135   HD13  LEU  18          HD13      LEU  18   6.188   4.708  -9.771
  136   HD21  LEU  18          HD21      LEU  18   7.352   2.535 -10.520
  137   HD22  LEU  18          HD22      LEU  18   6.870   1.013  -9.711
  138   HD23  LEU  18          HD23      LEU  18   5.688   1.938 -10.665
  139    HA   PRO  19           HA       PRO  19  12.356   2.719  -6.541
  140    HB2  PRO  19           HB2      PRO  19  11.788   5.484  -7.594
  141    HB3  PRO  19           HB3      PRO  19  13.343   4.582  -7.570
  142    HG2  PRO  19           HG2      PRO  19  11.903   4.647  -9.837
  143    HG3  PRO  19           HG3      PRO  19  12.549   3.068  -9.266
  144    HD2  PRO  19           HD2      PRO  19   9.772   4.199  -8.923
  145    HD3  PRO  19           HD3      PRO  19  10.258   2.547  -9.426
  146    H    TRP  20           H        TRP  20  13.227   5.009  -5.419
  147    HA   TRP  20           HA       TRP  20  12.242   4.790  -2.815
  148    HB2  TRP  20           HB2      TRP  20  13.727   7.169  -3.949
  149    HB3  TRP  20           HB3      TRP  20  13.793   6.550  -2.304
  150    HD1  TRP  20           HD1      TRP  20  16.042   6.993  -4.814
  151    HE1  TRP  20           HE1      TRP  20  17.848   5.209  -5.040
  152    HE3  TRP  20           HE3      TRP  20  13.706   3.131  -2.366
  153    HZ2  TRP  20           HZ2      TRP  20  18.310   2.485  -4.081
  154    HZ3  TRP  20           HZ3      TRP  20  14.916   1.019  -1.977
  155    HH2  TRP  20           HH2      TRP  20  17.201   0.708  -2.818
  156    H    SER  21           H        SER  21  10.488   6.253  -5.254
  157    HA   SER  21           HA       SER  21   8.984   7.874  -3.317
  158    HB2  SER  21           HB2      SER  21  10.750   9.387  -4.247
  159    HB3  SER  21           HB3      SER  21  10.118   9.067  -5.875
  160    HG   SER  21           HG       SER  21   8.781  10.298  -3.692
  161    H    CYS  22           H        CYS  22   6.908   8.595  -4.184
  162    HA   CYS  22           HA       CYS  22   5.921   7.511  -6.705
  163    HB2  CYS  22           HB2      CYS  22   5.919   5.551  -5.105
  164    HB3  CYS  22           HB3      CYS  22   4.817   6.470  -4.059
  165    HG   CYS  22           HG       CYS  22   3.496   4.644  -5.401
  166    H    SER  23           H        SER  23   3.442   8.020  -6.805
  167    HA   SER  23           HA       SER  23   2.655  10.290  -5.071
  168    HB2  SER  23           HB2      SER  23   2.684  10.404  -8.113
  169    HB3  SER  23           HB3      SER  23   2.026  11.643  -7.027
  170    HG   SER  23           HG       SER  23   4.164  12.113  -7.716
  171    H    VAL  24           H        VAL  24   0.330  10.852  -5.368
  172    HA   VAL  24           HA       VAL  24  -1.143   8.417  -5.204
  173    HB   VAL  24           HB       VAL  24  -2.720   9.609  -4.196
  174   HG11  VAL  24          HG11      VAL  24  -0.728  11.893  -4.416
  175   HG12  VAL  24          HG12      VAL  24  -2.000  11.709  -3.197
  176   HG13  VAL  24          HG13      VAL  24  -0.646  10.558  -3.233
  177   HG21  VAL  24          HG21      VAL  24  -2.499  11.815  -6.250
  178   HG22  VAL  24          HG22      VAL  24  -3.745  10.537  -6.150
  179   HG23  VAL  24          HG23      VAL  24  -3.641  11.758  -4.881
  180    H    GLU  25           H        GLU  25  -0.361  10.400  -7.926
  181    HA   GLU  25           HA       GLU  25  -2.787   9.737  -9.425
  182    HB2  GLU  25           HB2      GLU  25  -0.154  11.007 -10.278
  183    HB3  GLU  25           HB3      GLU  25  -1.636  10.895 -11.250
  184    HG2  GLU  25           HG2      GLU  25  -2.846  12.194  -9.471
  185    HG3  GLU  25           HG3      GLU  25  -1.313  12.387  -8.610
  186    H    ASP  26           H        ASP  26   0.478   8.401  -9.000
  187    HA   ASP  26           HA       ASP  26   0.293   6.755 -11.412
  188    HB2  ASP  26           HB2      ASP  26   2.160   6.665  -9.005
  189    HB3  ASP  26           HB3      ASP  26   2.344   5.703 -10.480
  190    H    VAL  27           H        VAL  27  -0.225   6.360  -7.876
  191    HA   VAL  27           HA       VAL  27  -0.669   3.537  -8.045
  192    HB   VAL  27           HB       VAL  27  -0.020   4.737  -6.002
  193   HG11  VAL  27          HG11      VAL  27  -2.883   5.762  -5.934
  194   HG12  VAL  27          HG12      VAL  27  -1.626   6.006  -4.702
  195   HG13  VAL  27          HG13      VAL  27  -1.439   6.734  -6.310
  196   HG21  VAL  27          HG21      VAL  27  -2.689   3.314  -5.703
  197   HG22  VAL  27          HG22      VAL  27  -1.105   2.514  -5.857
  198   HG23  VAL  27          HG23      VAL  27  -1.448   3.542  -4.446
  199    H    GLN  28           H        GLN  28  -2.933   6.377  -8.277
  200    HA   GLN  28           HA       GLN  28  -5.224   4.625  -8.374
  201    HB2  GLN  28           HB2      GLN  28  -6.478   6.587  -9.031
  202    HB3  GLN  28           HB3      GLN  28  -5.389   6.970  -7.687
  203    HG2  GLN  28           HG2      GLN  28  -3.786   7.942  -9.317
  204    HG3  GLN  28           HG3      GLN  28  -4.938   7.642 -10.627
  205   HE21  GLN  28          HE21      GLN  28  -4.690   9.222  -7.402
  206   HE22  GLN  28          HE22      GLN  28  -5.788  10.538  -7.764
  207    H    ASN  29           H        ASN  29  -2.918   5.780 -10.801
  208    HA   ASN  29           HA       ASN  29  -4.476   4.962 -13.087
  209    HB2  ASN  29           HB2      ASN  29  -2.801   6.189 -13.950
  210    HB3  ASN  29           HB3      ASN  29  -1.838   6.038 -12.477
  211   HD21  ASN  29          HD21      ASN  29  -0.438   4.210 -12.184
  212   HD22  ASN  29          HD22      ASN  29   0.201   3.367 -13.573
  213    H    PHE  30           H        PHE  30  -2.635   3.243 -10.664
  214    HA   PHE  30           HA       PHE  30  -2.174   0.902 -12.382
  215    HB2  PHE  30           HB2      PHE  30  -0.407   1.539 -10.969
  216    HB3  PHE  30           HB3      PHE  30  -1.453   1.742  -9.572
  217    HD1  PHE  30           HD1      PHE  30  -0.039  -0.866 -11.862
  218    HD2  PHE  30           HD2      PHE  30  -1.816   0.028  -8.052
  219    HE1  PHE  30           HE1      PHE  30   0.482  -3.160 -11.074
  220    HE2  PHE  30           HE2      PHE  30  -1.348  -2.264  -7.284
  221    HZ   PHE  30           HZ       PHE  30  -0.152  -3.858  -8.779
  222    H    LEU  31           H        LEU  31  -4.293   1.809  -9.603
  223    HA   LEU  31           HA       LEU  31  -5.513  -0.867  -9.674
  224    HB2  LEU  31           HB2      LEU  31  -6.283   1.627  -8.098
  225    HB3  LEU  31           HB3      LEU  31  -7.123   0.090  -8.037
  226    HG   LEU  31           HG       LEU  31  -5.846  -0.040  -6.158
  227   HD11  LEU  31          HD11      LEU  31  -4.132  -1.721  -6.502
  228   HD12  LEU  31          HD12      LEU  31  -5.501  -2.046  -7.585
  229   HD13  LEU  31          HD13      LEU  31  -4.010  -1.308  -8.224
  230   HD21  LEU  31          HD21      LEU  31  -4.526   1.971  -6.555
  231   HD22  LEU  31          HD22      LEU  31  -3.510   0.633  -5.966
  232   HD23  LEU  31          HD23      LEU  31  -3.496   1.073  -7.691
  233    H    SER  32           H        SER  32  -5.632  -0.082 -12.185
  234    HA   SER  32           HA       SER  32  -7.786   1.520 -13.007
  235    HB2  SER  32           HB2      SER  32  -5.973   0.606 -14.457
  236    HB3  SER  32           HB3      SER  32  -6.716  -1.003 -14.331
  237    HG   SER  32           HG       SER  32  -7.391   0.147 -16.204
  238    H    ASP  33           H        ASP  33  -9.825   0.941 -13.824
  239    HA   ASP  33           HA       ASP  33 -11.939   0.263 -13.582
  240    HB2  ASP  33           HB2      ASP  33 -10.701  -2.479 -13.199
  241    HB3  ASP  33           HB3      ASP  33 -12.399  -2.147 -13.571
  242    H    CYS  34           H        CYS  34  -9.895   0.082 -10.865
  243    HA   CYS  34           HA       CYS  34 -11.971  -0.853  -9.009
  244    HB2  CYS  34           HB2      CYS  34  -9.224   0.355  -8.525
  245    HB3  CYS  34           HB3      CYS  34 -10.239  -0.446  -7.320
  246    HG   CYS  34           HG       CYS  34  -9.109  -1.714 -10.153
  247    H    THR  35           H        THR  35 -11.974   0.658  -6.926
  248    HA   THR  35           HA       THR  35 -12.281   3.528  -7.661
  249    HB   THR  35           HB       THR  35 -14.150   1.814  -5.951
  250    HG1  THR  35           HG1      THR  35 -14.493   1.571  -8.159
  251   HG21  THR  35          HG21      THR  35 -13.973   4.043  -5.002
  252   HG22  THR  35          HG22      THR  35 -14.180   4.786  -6.609
  253   HG23  THR  35          HG23      THR  35 -15.525   3.900  -5.848
  254    H    ILE  36           H        ILE  36 -11.939   4.923  -5.733
  255    HA   ILE  36           HA       ILE  36  -9.908   3.598  -4.001
  256    HB   ILE  36           HB       ILE  36  -9.691   6.155  -5.599
  257   HG12  ILE  36          HG12      ILE  36  -7.865   3.747  -5.744
  258   HG13  ILE  36          HG13      ILE  36  -9.413   3.702  -6.599
  259   HG21  ILE  36          HG21      ILE  36  -7.243   6.015  -4.785
  260   HG22  ILE  36          HG22      ILE  36  -8.421   6.591  -3.606
  261   HG23  ILE  36          HG23      ILE  36  -7.850   4.909  -3.529
  262   HD11  ILE  36          HD11      ILE  36  -8.914   5.730  -7.800
  263   HD12  ILE  36          HD12      ILE  36  -7.355   5.894  -6.947
  264   HD13  ILE  36          HD13      ILE  36  -7.632   4.526  -8.059
  265    H    HIS  37           H        HIS  37 -12.621   4.135  -3.398
  266    HA   HIS  37           HA       HIS  37 -13.951   4.894  -1.749
  267    HB2  HIS  37           HB2      HIS  37 -11.945   4.114  -0.475
  268    HB3  HIS  37           HB3      HIS  37 -11.445   5.800  -0.354
  269    HD1  HIS  37           HD1      HIS  37 -13.932   3.313   1.073
  270    HD2  HIS  37           HD2      HIS  37 -13.062   7.418   1.178
  271    HE1  HIS  37           HE1      HIS  37 -15.241   4.278   3.046
  272    H    ASP  38           H        ASP  38 -11.465   7.380  -2.506
  273    HA   ASP  38           HA       ASP  38 -13.627   9.248  -3.192
  274    HB2  ASP  38           HB2      ASP  38 -11.530   9.841  -1.062
  275    HB3  ASP  38           HB3      ASP  38 -12.428  11.087  -1.937
  276    H    GLY  39           H        GLY  39 -10.534   7.877  -3.787
  277    HA2  GLY  39           HA2      GLY  39  -9.325   8.325  -5.789
  278    HA3  GLY  39           HA3      GLY  39 -10.020   9.948  -5.847
  279    H    ALA  40           H        ALA  40  -8.552  11.461  -5.495
  280    HA   ALA  40           HA       ALA  40  -6.014  11.098  -4.285
  281    HB1  ALA  40           HB1      ALA  40  -7.655  13.622  -4.727
  282    HB2  ALA  40           HB2      ALA  40  -5.900  13.563  -4.429
  283    HB3  ALA  40           HB3      ALA  40  -6.573  12.865  -5.921
  284    H    ALA  41           H        ALA  41  -8.860  10.824  -2.709
  285    HA   ALA  41           HA       ALA  41  -7.787  11.935  -0.171
  286    HB1  ALA  41           HB1      ALA  41 -10.664  11.832  -1.118
  287    HB2  ALA  41           HB2      ALA  41 -10.137  12.336   0.502
  288    HB3  ALA  41           HB3      ALA  41  -9.664  13.286  -0.925
  289    H    GLY  42           H        GLY  42  -7.700   9.207  -1.618
  290    HA2  GLY  42           HA2      GLY  42  -8.495   7.631   0.784
  291    HA3  GLY  42           HA3      GLY  42  -8.836   7.057  -0.863
  292    H    VAL  43           H        VAL  43  -6.002   8.745  -1.148
  293    HA   VAL  43           HA       VAL  43  -4.333   6.380  -1.226
  294    HB   VAL  43           HB       VAL  43  -4.169   8.520  -2.708
  295   HG11  VAL  43          HG11      VAL  43  -2.799  10.317  -1.851
  296   HG12  VAL  43          HG12      VAL  43  -4.210  10.127  -0.794
  297   HG13  VAL  43          HG13      VAL  43  -2.618   9.515  -0.283
  298   HG21  VAL  43          HG21      VAL  43  -2.521   6.681  -2.691
  299   HG22  VAL  43          HG22      VAL  43  -1.745   8.259  -2.912
  300   HG23  VAL  43          HG23      VAL  43  -1.669   7.456  -1.335
  301    H    HIS  44           H        HIS  44  -2.415   6.033   0.086
  302    HA   HIS  44           HA       HIS  44  -1.956   7.736   2.441
  303    HB2  HIS  44           HB2      HIS  44  -2.717   4.795   2.598
  304    HB3  HIS  44           HB3      HIS  44  -1.860   5.655   3.882
  305    HD1  HIS  44           HD1      HIS  44  -3.291   7.715   5.082
  306    HD2  HIS  44           HD2      HIS  44  -5.340   5.053   2.558
  307    HE1  HIS  44           HE1      HIS  44  -5.773   8.001   5.592
  308    H    PHE  45           H        PHE  45   0.143   7.175   3.466
  309    HA   PHE  45           HA       PHE  45   1.900   5.366   1.929
  310    HB2  PHE  45           HB2      PHE  45   2.408   8.333   2.353
  311    HB3  PHE  45           HB3      PHE  45   3.635   7.170   1.842
  312    HD1  PHE  45           HD1      PHE  45   3.435   5.994  -0.349
  313    HD2  PHE  45           HD2      PHE  45   0.798   9.196   0.785
  314    HE1  PHE  45           HE1      PHE  45   2.692   6.213  -2.707
  315    HE2  PHE  45           HE2      PHE  45   0.057   9.418  -1.568
  316    HZ   PHE  45           HZ       PHE  45   0.974   7.901  -3.314
  317    H    ILE  46           H        ILE  46   4.162   5.346   3.102
  318    HA   ILE  46           HA       ILE  46   3.647   5.378   6.024
  319    HB   ILE  46           HB       ILE  46   4.843   2.972   4.652
  320   HG12  ILE  46          HG12      ILE  46   1.923   3.411   5.428
  321   HG13  ILE  46          HG13      ILE  46   2.557   3.278   3.769
  322   HG21  ILE  46          HG21      ILE  46   3.496   3.401   7.359
  323   HG22  ILE  46          HG22      ILE  46   4.371   1.941   6.826
  324   HG23  ILE  46          HG23      ILE  46   5.247   3.457   7.103
  325   HD11  ILE  46          HD11      ILE  46   2.604   1.153   5.913
  326   HD12  ILE  46          HD12      ILE  46   1.729   1.129   4.354
  327   HD13  ILE  46          HD13      ILE  46   3.510   1.046   4.381
  328    H    TYR  47           H        TYR  47   5.084   7.306   5.340
  329    HA   TYR  47           HA       TYR  47   7.910   6.573   5.837
  330    HB2  TYR  47           HB2      TYR  47   8.785   7.268   3.910
  331    HB3  TYR  47           HB3      TYR  47   7.278   6.543   3.340
  332    HD1  TYR  47           HD1      TYR  47   5.340   8.778   3.896
  333    HD2  TYR  47           HD2      TYR  47   9.325   8.755   2.289
  334    HE1  TYR  47           HE1      TYR  47   4.880  10.936   2.750
  335    HE2  TYR  47           HE2      TYR  47   8.891  10.944   1.163
  336    HH   TYR  47           HH       TYR  47   7.363  12.604   0.770
  337    H    THR  48           H        THR  48   9.195   8.916   5.487
  338    HA   THR  48           HA       THR  48   7.624  11.028   6.859
  339    HB   THR  48           HB       THR  48   9.371  11.378   8.504
  340    HG1  THR  48           HG1      THR  48  11.097   9.894   8.610
  341   HG21  THR  48          HG21      THR  48   8.659   8.424   8.406
  342   HG22  THR  48          HG22      THR  48   9.110   9.370   9.848
  343   HG23  THR  48          HG23      THR  48   7.583   9.720   9.004
  344    H    ARG  49           H        ARG  49   9.165  12.997   7.167
  345    HA   ARG  49           HA       ARG  49   9.686  14.015   4.609
  346    HB2  ARG  49           HB2      ARG  49  10.419  15.987   5.787
  347    HB3  ARG  49           HB3      ARG  49   9.056  15.246   6.641
  348    HG2  ARG  49           HG2      ARG  49  10.435  15.756   8.406
  349    HG3  ARG  49           HG3      ARG  49  10.919  14.081   8.089
  350    HD2  ARG  49           HD2      ARG  49  12.836  14.965   6.725
  351    HD3  ARG  49           HD3      ARG  49  12.325  16.611   7.124
  352    HE   ARG  49           HE       ARG  49  12.618  15.221   9.559
  353   HH11  ARG  49          HH11      ARG  49  14.651  16.275   6.863
  354   HH12  ARG  49          HH12      ARG  49  16.085  16.423   7.852
  355   HH21  ARG  49          HH21      ARG  49  14.505  15.428  10.822
  356   HH22  ARG  49          HH22      ARG  49  16.002  15.948  10.084
  357    H    GLU  50           H        GLU  50  11.759  12.044   6.593
  358    HA   GLU  50           HA       GLU  50  13.716  12.146   4.404
  359    HB2  GLU  50           HB2      GLU  50  14.404  13.730   6.315
  360    HB3  GLU  50           HB3      GLU  50  14.658  12.263   7.280
  361    HG2  GLU  50           HG2      GLU  50  16.764  12.864   6.262
  362    HG3  GLU  50           HG3      GLU  50  16.157  11.431   5.415
  363    H    GLY  51           H        GLY  51  11.661  10.237   5.054
  364    HA2  GLY  51           HA2      GLY  51  13.098   7.999   6.381
  365    HA3  GLY  51           HA3      GLY  51  11.366   8.088   6.024
  366    H    ARG  52           H        ARG  52  11.328   8.715   3.333
  367    HA   ARG  52           HA       ARG  52  11.745   8.108   1.205
  368    HB2  ARG  52           HB2      ARG  52  13.943   6.237   2.152
  369    HB3  ARG  52           HB3      ARG  52  13.636   6.821   0.518
  370    HG2  ARG  52           HG2      ARG  52  14.503   8.543   2.876
  371    HG3  ARG  52           HG3      ARG  52  15.511   8.021   1.518
  372    HD2  ARG  52           HD2      ARG  52  14.002   9.230  -0.046
  373    HD3  ARG  52           HD3      ARG  52  13.041   9.793   1.334
  374    HE   ARG  52           HE       ARG  52  14.892  11.137   2.079
  375   HH11  ARG  52          HH11      ARG  52  15.430   9.647  -1.091
  376   HH12  ARG  52          HH12      ARG  52  16.711  10.760  -1.508
  377   HH21  ARG  52          HH21      ARG  52  16.525  12.535   1.519
  378   HH22  ARG  52          HH22      ARG  52  17.334  12.411  -0.034
  379    H    GLN  53           H        GLN  53  10.226   6.417   3.422
  380    HA   GLN  53           HA       GLN  53   9.966   3.926   1.919
  381    HB2  GLN  53           HB2      GLN  53   8.880   4.907   4.552
  382    HB3  GLN  53           HB3      GLN  53   8.130   3.524   3.740
  383    HG2  GLN  53           HG2      GLN  53   9.759   2.706   5.305
  384    HG3  GLN  53           HG3      GLN  53  10.301   2.357   3.648
  385   HE21  GLN  53          HE21      GLN  53  10.528   4.976   6.128
  386   HE22  GLN  53          HE22      GLN  53  12.204   5.360   5.787
  387    H    SER  54           H        SER  54   8.895   6.815   1.095
  388    HA   SER  54           HA       SER  54   6.107   6.579   0.744
  389    HB2  SER  54           HB2      SER  54   6.516   8.165  -1.210
  390    HB3  SER  54           HB3      SER  54   7.093   8.686   0.377
  391    HG   SER  54           HG       SER  54   8.688   8.985  -1.216
  392    H    GLY  55           H        GLY  55   8.275   4.342  -0.431
  393    HA2  GLY  55           HA2      GLY  55   6.849   3.855  -2.968
  394    HA3  GLY  55           HA3      GLY  55   8.235   2.954  -2.311
  395    H    GLU  56           H        GLU  56   6.242   3.372   0.266
  396    HA   GLU  56           HA       GLU  56   4.711   0.850  -0.180
  397    HB2  GLU  56           HB2      GLU  56   6.089   1.915   2.325
  398    HB3  GLU  56           HB3      GLU  56   4.972   0.546   2.290
  399    HG2  GLU  56           HG2      GLU  56   7.188  -0.339   2.278
  400    HG3  GLU  56           HG3      GLU  56   6.479  -0.623   0.684
  401    H    ALA  57           H        ALA  57   2.549   0.894   0.464
  402    HA   ALA  57           HA       ALA  57   1.406   3.320   1.640
  403    HB1  ALA  57           HB1      ALA  57   1.905   4.174  -0.564
  404    HB2  ALA  57           HB2      ALA  57   1.294   2.704  -1.341
  405    HB3  ALA  57           HB3      ALA  57   0.163   3.807  -0.552
  406    H    PHE  58           H        PHE  58  -1.051   3.320   1.151
  407    HA   PHE  58           HA       PHE  58  -2.198   0.595   0.825
  408    HB2  PHE  58           HB2      PHE  58  -3.058   2.636   2.910
  409    HB3  PHE  58           HB3      PHE  58  -3.865   1.120   2.560
  410    HD1  PHE  58           HD1      PHE  58  -2.781  -1.064   3.163
  411    HD2  PHE  58           HD2      PHE  58  -1.143   2.730   4.333
  412    HE1  PHE  58           HE1      PHE  58  -1.502  -2.175   4.975
  413    HE2  PHE  58           HE2      PHE  58   0.091   1.640   6.175
  414    HZ   PHE  58           HZ       PHE  58  -0.085  -0.827   6.506
  415    H    VAL  59           H        VAL  59  -4.527   0.740   0.241
  416    HA   VAL  59           HA       VAL  59  -5.410   3.365  -0.808
  417    HB   VAL  59           HB       VAL  59  -5.291   0.847  -2.522
  418   HG11  VAL  59          HG11      VAL  59  -6.029   2.363  -4.321
  419   HG12  VAL  59          HG12      VAL  59  -7.211   2.335  -2.996
  420   HG13  VAL  59          HG13      VAL  59  -6.093   3.712  -3.162
  421   HG21  VAL  59          HG21      VAL  59  -3.029   1.791  -2.302
  422   HG22  VAL  59          HG22      VAL  59  -3.680   2.113  -3.918
  423   HG23  VAL  59          HG23      VAL  59  -3.654   3.412  -2.701
  424    H    GLU  60           H        GLU  60  -7.307   3.569   0.318
  425    HA   GLU  60           HA       GLU  60  -8.985   1.264   0.917
  426    HB2  GLU  60           HB2      GLU  60  -9.531   4.263   1.019
  427    HB3  GLU  60           HB3      GLU  60 -10.635   2.997   1.589
  428    HG2  GLU  60           HG2      GLU  60  -8.787   2.183   3.113
  429    HG3  GLU  60           HG3      GLU  60  -7.876   3.642   2.682
  430    H    LEU  61           H        LEU  61 -11.004   0.731  -0.039
  431    HA   LEU  61           HA       LEU  61 -11.471   1.958  -2.725
  432    HB2  LEU  61           HB2      LEU  61 -12.066  -0.905  -2.031
  433    HB3  LEU  61           HB3      LEU  61 -11.923  -0.182  -3.624
  434    HG   LEU  61           HG       LEU  61  -9.519  -0.371  -1.749
  435   HD11  LEU  61          HD11      LEU  61 -10.417  -2.338  -3.852
  436   HD12  LEU  61          HD12      LEU  61  -8.929  -2.426  -2.881
  437   HD13  LEU  61          HD13      LEU  61 -10.520  -2.587  -2.088
  438   HD21  LEU  61          HD21      LEU  61  -8.270  -0.252  -3.875
  439   HD22  LEU  61          HD22      LEU  61  -9.800  -0.167  -4.782
  440   HD23  LEU  61          HD23      LEU  61  -9.325   1.166  -3.697
  441    H    GLY  62           H        GLY  62 -13.815   0.485  -3.287
  442    HA2  GLY  62           HA2      GLY  62 -15.646   1.701  -1.261
  443    HA3  GLY  62           HA3      GLY  62 -15.900   1.751  -3.011
  444    H    SER  63           H        SER  63 -14.912  -1.227  -3.134
  445    HA   SER  63           HA       SER  63 -17.174  -2.571  -1.782
  446    HB2  SER  63           HB2      SER  63 -16.815  -2.615  -4.811
  447    HB3  SER  63           HB3      SER  63 -17.988  -3.559  -3.877
  448    HG   SER  63           HG       SER  63 -17.863  -0.734  -4.095
  449    H    GLU  64           H        GLU  64 -17.128  -4.945  -2.152
  450    HA   GLU  64           HA       GLU  64 -14.587  -6.160  -1.774
  451    HB2  GLU  64           HB2      GLU  64 -16.785  -7.173  -1.151
  452    HB3  GLU  64           HB3      GLU  64 -17.217  -7.263  -2.869
  453    HG2  GLU  64           HG2      GLU  64 -15.381  -8.805  -3.306
  454    HG3  GLU  64           HG3      GLU  64 -14.818  -8.666  -1.627
  455    H    ASP  65           H        ASP  65 -16.493  -5.397  -4.685
  456    HA   ASP  65           HA       ASP  65 -15.060  -7.113  -6.451
  457    HB2  ASP  65           HB2      ASP  65 -16.628  -4.540  -6.886
  458    HB3  ASP  65           HB3      ASP  65 -16.072  -5.601  -8.181
  459    H    ASP  66           H        ASP  66 -14.424  -3.850  -5.163
  460    HA   ASP  66           HA       ASP  66 -12.400  -3.221  -7.151
  461    HB2  ASP  66           HB2      ASP  66 -13.041  -2.063  -4.406
  462    HB3  ASP  66           HB3      ASP  66 -11.909  -1.361  -5.566
  463    H    VAL  67           H        VAL  67 -12.444  -4.657  -3.839
  464    HA   VAL  67           HA       VAL  67  -9.558  -4.538  -3.629
  465    HB   VAL  67           HB       VAL  67 -10.625  -4.595  -1.580
  466   HG11  VAL  67          HG11      VAL  67 -12.231  -6.192  -0.782
  467   HG12  VAL  67          HG12      VAL  67 -12.820  -5.343  -2.210
  468   HG13  VAL  67          HG13      VAL  67 -12.221  -7.028  -2.352
  469   HG21  VAL  67          HG21      VAL  67  -9.798  -7.483  -1.993
  470   HG22  VAL  67          HG22      VAL  67  -8.668  -6.136  -1.699
  471   HG23  VAL  67          HG23      VAL  67  -9.859  -6.595  -0.458
  472    H    LYS  68           H        LYS  68 -11.890  -7.038  -4.766
  473    HA   LYS  68           HA       LYS  68  -9.907  -9.038  -5.195
  474    HB2  LYS  68           HB2      LYS  68 -12.578  -8.394  -6.499
  475    HB3  LYS  68           HB3      LYS  68 -11.614  -9.819  -6.932
  476    HG2  LYS  68           HG2      LYS  68 -11.652 -10.624  -4.633
  477    HG3  LYS  68           HG3      LYS  68 -12.528  -9.177  -4.098
  478    HD2  LYS  68           HD2      LYS  68 -14.414  -9.758  -5.591
  479    HD3  LYS  68           HD3      LYS  68 -13.548 -11.205  -6.145
  480    HE2  LYS  68           HE2      LYS  68 -14.351 -10.642  -3.262
  481    HE3  LYS  68           HE3      LYS  68 -15.259 -11.675  -4.382
  482    HZ1  LYS  68           HZ1      LYS  68 -12.486 -12.139  -3.504
  483    HZ2  LYS  68           HZ2      LYS  68 -13.813 -12.962  -2.985
  484    HZ3  LYS  68           HZ3      LYS  68 -13.330 -13.088  -4.551
  485    H    MET  69           H        MET  69 -11.170  -6.425  -7.353
  486    HA   MET  69           HA       MET  69  -9.548  -7.175  -9.587
  487    HB2  MET  69           HB2      MET  69 -11.000  -4.633  -8.783
  488    HB3  MET  69           HB3      MET  69 -10.027  -4.736 -10.258
  489    HG2  MET  69           HG2      MET  69 -11.345  -6.809 -10.880
  490    HG3  MET  69           HG3      MET  69 -12.431  -6.443  -9.544
  491    HE1  MET  69           HE1      MET  69 -12.230  -3.064  -9.917
  492    HE2  MET  69           HE2      MET  69 -13.805  -2.885 -10.716
  493    HE3  MET  69           HE3      MET  69 -13.633  -4.006  -9.345
  494    H    ALA  70           H        ALA  70  -8.869  -5.201  -6.707
  495    HA   ALA  70           HA       ALA  70  -6.542  -3.933  -7.838
  496    HB1  ALA  70           HB1      ALA  70  -7.456  -4.370  -4.973
  497    HB2  ALA  70           HB2      ALA  70  -6.112  -3.309  -5.464
  498    HB3  ALA  70           HB3      ALA  70  -7.775  -2.943  -5.982
  499    H    LEU  71           H        LEU  71  -7.150  -7.034  -6.268
  500    HA   LEU  71           HA       LEU  71  -4.338  -7.572  -5.733
  501    HB2  LEU  71           HB2      LEU  71  -6.849  -9.278  -5.628
  502    HB3  LEU  71           HB3      LEU  71  -5.253  -9.792  -5.043
  503    HG   LEU  71           HG       LEU  71  -6.664  -7.282  -4.049
  504   HD11  LEU  71          HD11      LEU  71  -6.593 -10.052  -2.806
  505   HD12  LEU  71          HD12      LEU  71  -7.219  -8.580  -2.021
  506   HD13  LEU  71          HD13      LEU  71  -8.029  -9.227  -3.470
  507   HD21  LEU  71          HD21      LEU  71  -5.100  -7.428  -2.207
  508   HD22  LEU  71          HD22      LEU  71  -4.334  -8.862  -2.946
  509   HD23  LEU  71          HD23      LEU  71  -4.256  -7.277  -3.759
  510    H    LYS  72           H        LYS  72  -6.405  -7.805  -8.487
  511    HA   LYS  72           HA       LYS  72  -5.153 -10.044  -9.787
  512    HB2  LYS  72           HB2      LYS  72  -6.533  -7.642 -11.027
  513    HB3  LYS  72           HB3      LYS  72  -6.180  -9.176 -11.831
  514    HG2  LYS  72           HG2      LYS  72  -8.074  -8.745  -9.505
  515    HG3  LYS  72           HG3      LYS  72  -8.513  -9.136 -11.170
  516    HD2  LYS  72           HD2      LYS  72  -7.380 -11.336 -10.953
  517    HD3  LYS  72           HD3      LYS  72  -6.918 -10.929  -9.285
  518    HE2  LYS  72           HE2      LYS  72  -8.873 -12.323  -9.201
  519    HE3  LYS  72           HE3      LYS  72  -9.307 -10.683  -8.685
  520    HZ1  LYS  72           HZ1      LYS  72 -10.922 -11.609 -10.203
  521    HZ2  LYS  72           HZ2      LYS  72 -10.197 -10.300 -10.885
  522    HZ3  LYS  72           HZ3      LYS  72  -9.777 -11.818 -11.366
  523    H    LYS  73           H        LYS  73  -3.633  -7.192  -8.949
  524    HA   LYS  73           HA       LYS  73  -1.704  -7.478 -11.196
  525    HB2  LYS  73           HB2      LYS  73  -1.392  -5.004 -11.137
  526    HB3  LYS  73           HB3      LYS  73  -2.963  -5.509 -11.763
  527    HG2  LYS  73           HG2      LYS  73  -2.655  -4.830  -8.839
  528    HG3  LYS  73           HG3      LYS  73  -2.650  -3.538 -10.052
  529    HD2  LYS  73           HD2      LYS  73  -4.881  -5.581  -9.800
  530    HD3  LYS  73           HD3      LYS  73  -4.886  -3.970  -9.074
  531    HE2  LYS  73           HE2      LYS  73  -4.558  -2.972 -11.346
  532    HE3  LYS  73           HE3      LYS  73  -4.676  -4.597 -12.046
  533    HZ1  LYS  73           HZ1      LYS  73  -6.777  -3.208 -10.518
  534    HZ2  LYS  73           HZ2      LYS  73  -6.781  -3.491 -12.138
  535    HZ3  LYS  73           HZ3      LYS  73  -6.893  -4.746 -11.077
  536    H    ASP  74           H        ASP  74  -1.939  -8.479  -8.466
  537    HA   ASP  74           HA       ASP  74  -0.390  -7.266  -6.573
  538    HB2  ASP  74           HB2      ASP  74  -0.193  -9.463  -5.570
  539    HB3  ASP  74           HB3      ASP  74  -1.801  -9.204  -6.250
  540    H    ARG  75           H        ARG  75   1.061  -8.358  -9.522
  541    HA   ARG  75           HA       ARG  75   3.514  -7.274  -8.486
  542    HB2  ARG  75           HB2      ARG  75   4.960  -9.239  -9.008
  543    HB3  ARG  75           HB3      ARG  75   4.012  -9.296  -7.539
  544    HG2  ARG  75           HG2      ARG  75   2.304 -10.708  -8.736
  545    HG3  ARG  75           HG3      ARG  75   3.383 -10.710 -10.160
  546    HD2  ARG  75           HD2      ARG  75   5.186 -11.649  -8.743
  547    HD3  ARG  75           HD3      ARG  75   4.081 -11.658  -7.358
  548    HE   ARG  75           HE       ARG  75   4.164 -13.559  -9.578
  549   HH11  ARG  75          HH11      ARG  75   2.178 -12.216  -6.970
  550   HH12  ARG  75          HH12      ARG  75   1.040 -13.538  -7.004
  551   HH21  ARG  75          HH21      ARG  75   2.697 -15.303  -9.546
  552   HH22  ARG  75          HH22      ARG  75   1.365 -15.307  -8.414
  553    H    GLU  76           H        GLU  76   1.514  -7.054 -10.838
  554    HA   GLU  76           HA       GLU  76   3.242  -7.504 -13.124
  555    HB2  GLU  76           HB2      GLU  76   1.599  -6.197 -14.400
  556    HB3  GLU  76           HB3      GLU  76   0.911  -7.566 -13.526
  557    HG2  GLU  76           HG2      GLU  76  -0.427  -6.277 -12.320
  558    HG3  GLU  76           HG3      GLU  76   0.858  -5.152 -11.893
  559    H    SER  77           H        SER  77   2.889  -4.897 -14.475
  560    HA   SER  77           HA       SER  77   5.300  -3.738 -13.148
  561    HB2  SER  77           HB2      SER  77   6.170  -3.454 -15.457
  562    HB3  SER  77           HB3      SER  77   5.857  -5.158 -15.047
  563    HG   SER  77           HG       SER  77   5.026  -4.597 -17.103
  564    H    MET  78           H        MET  78   2.206  -2.846 -13.910
  565    HA   MET  78           HA       MET  78   1.114  -0.901 -14.292
  566    HB2  MET  78           HB2      MET  78   2.493  -0.055 -12.451
  567    HB3  MET  78           HB3      MET  78   3.741   0.414 -13.614
  568    HG2  MET  78           HG2      MET  78   2.057   1.892 -14.733
  569    HG3  MET  78           HG3      MET  78   0.943   1.556 -13.403
  570    HE1  MET  78           HE1      MET  78   1.077   2.828 -11.046
  571    HE2  MET  78           HE2      MET  78   2.385   1.644 -10.795
  572    HE3  MET  78           HE3      MET  78   2.621   3.359 -10.377
  573    H    GLY  79           H        GLY  79   4.085  -1.468 -16.063
  574    HA2  GLY  79           HA2      GLY  79   3.457  -1.442 -18.560
  575    HA3  GLY  79           HA3      GLY  79   3.167   0.286 -18.270
  576    H    HIS  80           H        HIS  80   5.537   0.104 -16.198
  577    HA   HIS  80           HA       HIS  80   7.793  -0.020 -18.096
  578    HB2  HIS  80           HB2      HIS  80   6.988   2.520 -16.629
  579    HB3  HIS  80           HB3      HIS  80   8.445   2.307 -17.604
  580    HD1  HIS  80           HD1      HIS  80   4.895   3.377 -17.944
  581    HD2  HIS  80           HD2      HIS  80   7.957   1.795 -20.347
  582    HE1  HIS  80           HE1      HIS  80   4.221   3.822 -20.366
  583    H    ARG  81           H        ARG  81   6.679  -0.802 -15.053
  584    HA   ARG  81           HA       ARG  81   9.417  -0.865 -13.995
  585    HB2  ARG  81           HB2      ARG  81   8.508   1.346 -13.385
  586    HB3  ARG  81           HB3      ARG  81   7.186   0.572 -12.513
  587    HG2  ARG  81           HG2      ARG  81   9.185   1.440 -11.160
  588    HG3  ARG  81           HG3      ARG  81   8.651  -0.190 -10.786
  589    HD2  ARG  81           HD2      ARG  81  10.470  -1.093 -12.248
  590    HD3  ARG  81           HD3      ARG  81  11.033   0.575 -12.508
  591    HE   ARG  81           HE       ARG  81  10.757  -0.238  -9.696
  592   HH11  ARG  81          HH11      ARG  81  12.915  -0.101 -12.496
  593   HH12  ARG  81          HH12      ARG  81  14.366  -0.135 -11.525
  594   HH21  ARG  81          HH21      ARG  81  12.673  -0.252  -8.454
  595   HH22  ARG  81          HH22      ARG  81  14.229  -0.250  -9.247
  596    H    TYR  82           H        TYR  82   7.625  -1.214 -11.329
  597    HA   TYR  82           HA       TYR  82   6.671  -3.953 -11.619
  598    HB2  TYR  82           HB2      TYR  82   9.080  -4.307 -11.662
  599    HB3  TYR  82           HB3      TYR  82   9.303  -3.210 -10.311
  600    HD1  TYR  82           HD1      TYR  82   6.539  -5.728  -9.945
  601    HD2  TYR  82           HD2      TYR  82  10.728  -4.838  -9.349
  602    HE1  TYR  82           HE1      TYR  82   6.728  -7.617  -8.399
  603    HE2  TYR  82           HE2      TYR  82  10.901  -6.720  -7.763
  604    HH   TYR  82           HH       TYR  82   8.094  -8.821  -6.997
  605    H    ILE  83           H        ILE  83   5.035  -4.077 -10.273
  606    HA   ILE  83           HA       ILE  83   5.033  -2.314  -7.875
  607    HB   ILE  83           HB       ILE  83   2.546  -3.222  -9.332
  608   HG12  ILE  83          HG12      ILE  83   3.855  -2.078 -11.059
  609   HG13  ILE  83          HG13      ILE  83   2.418  -1.174 -10.595
  610   HG21  ILE  83          HG21      ILE  83   3.207  -0.882  -7.497
  611   HG22  ILE  83          HG22      ILE  83   1.651  -1.092  -8.325
  612   HG23  ILE  83          HG23      ILE  83   2.178  -2.282  -7.126
  613   HD11  ILE  83          HD11      ILE  83   4.398   0.272 -10.907
  614   HD12  ILE  83          HD12      ILE  83   3.747   0.377  -9.256
  615   HD13  ILE  83          HD13      ILE  83   5.219  -0.568  -9.578
  616    H    GLU  84           H        GLU  84   3.515  -3.254  -6.148
  617    HA   GLU  84           HA       GLU  84   2.897  -6.114  -6.447
  618    HB2  GLU  84           HB2      GLU  84   4.937  -4.971  -4.555
  619    HB3  GLU  84           HB3      GLU  84   3.846  -6.238  -3.957
  620    HG2  GLU  84           HG2      GLU  84   4.554  -7.660  -5.911
  621    HG3  GLU  84           HG3      GLU  84   5.743  -6.410  -6.320
  622    H    VAL  85           H        VAL  85   1.279  -6.802  -4.967
  623    HA   VAL  85           HA       VAL  85  -0.012  -4.696  -3.338
  624    HB   VAL  85           HB       VAL  85  -1.638  -6.342  -5.303
  625   HG11  VAL  85          HG11      VAL  85  -3.314  -4.579  -4.928
  626   HG12  VAL  85          HG12      VAL  85  -2.852  -5.352  -3.402
  627   HG13  VAL  85          HG13      VAL  85  -2.200  -3.747  -3.818
  628   HG21  VAL  85          HG21      VAL  85  -0.147  -4.997  -6.692
  629   HG22  VAL  85          HG22      VAL  85  -1.788  -4.327  -6.728
  630   HG23  VAL  85          HG23      VAL  85  -0.536  -3.548  -5.732
  631    H    PHE  86           H        PHE  86  -1.299  -5.539  -1.685
  632    HA   PHE  86           HA       PHE  86  -1.926  -8.412  -1.697
  633    HB2  PHE  86           HB2      PHE  86  -1.128  -7.596   0.964
  634    HB3  PHE  86           HB3      PHE  86  -0.663  -9.019   0.048
  635    HD1  PHE  86           HD1      PHE  86   1.383  -8.755  -1.616
  636    HD2  PHE  86           HD2      PHE  86   0.303  -5.888   1.384
  637    HE1  PHE  86           HE1      PHE  86   3.666  -7.843  -1.684
  638    HE2  PHE  86           HE2      PHE  86   2.565  -4.919   1.303
  639    HZ   PHE  86           HZ       PHE  86   4.279  -5.898  -0.242
  640    H    LYS  87           H        LYS  87  -3.625  -8.875  -0.027
  641    HA   LYS  87           HA       LYS  87  -5.599  -6.805  -0.051
  642    HB2  LYS  87           HB2      LYS  87  -5.935  -9.299  -0.119
  643    HB3  LYS  87           HB3      LYS  87  -5.480  -9.363   1.593
  644    HG2  LYS  87           HG2      LYS  87  -7.346  -7.811   2.104
  645    HG3  LYS  87           HG3      LYS  87  -7.787  -7.782   0.386
  646    HD2  LYS  87           HD2      LYS  87  -8.311 -10.151   0.413
  647    HD3  LYS  87           HD3      LYS  87  -7.655 -10.332   2.054
  648    HE2  LYS  87           HE2      LYS  87 -10.052  -8.597   1.325
  649    HE3  LYS  87           HE3      LYS  87 -10.149 -10.229   2.007
  650    HZ1  LYS  87           HZ1      LYS  87  -8.947  -9.437   3.925
  651    HZ2  LYS  87           HZ2      LYS  87  -8.876  -7.912   3.307
  652    HZ3  LYS  87           HZ3      LYS  87 -10.328  -8.568   3.717
  653    H    SER  88           H        SER  88  -6.555  -5.782   1.778
  654    HA   SER  88           HA       SER  88  -4.855  -5.545   4.221
  655    HB2  SER  88           HB2      SER  88  -4.347  -3.677   2.710
  656    HB3  SER  88           HB3      SER  88  -6.068  -3.241   2.665
  657    HG   SER  88           HG       SER  88  -4.851  -2.058   4.236
  658    H    HIS  89           H        HIS  89  -6.371  -4.064   5.832
  659    HA   HIS  89           HA       HIS  89  -9.239  -4.589   5.529
  660    HB2  HIS  89           HB2      HIS  89  -9.270  -5.780   7.796
  661    HB3  HIS  89           HB3      HIS  89  -8.764  -6.713   6.394
  662    HD1  HIS  89           HD1      HIS  89  -7.499  -5.477   9.738
  663    HD2  HIS  89           HD2      HIS  89  -6.041  -7.253   6.219
  664    HE1  HIS  89           HE1      HIS  89  -5.144  -6.319  10.266
  665    H    ARG  90           H        ARG  90  -7.124  -2.389   6.056
  666    HA   ARG  90           HA       ARG  90  -7.207  -0.319   6.923
  667    HB2  ARG  90           HB2      ARG  90  -9.595  -0.363   6.457
  668    HB3  ARG  90           HB3      ARG  90  -9.922  -1.108   8.032
  669    HG2  ARG  90           HG2      ARG  90  -8.988   0.856   9.187
  670    HG3  ARG  90           HG3      ARG  90  -8.633   1.620   7.626
  671    HD2  ARG  90           HD2      ARG  90 -11.392   0.837   8.637
  672    HD3  ARG  90           HD3      ARG  90 -10.720   2.472   8.645
  673    HE   ARG  90           HE       ARG  90 -10.662   2.393   6.179
  674   HH11  ARG  90          HH11      ARG  90 -12.769   0.052   7.824
  675   HH12  ARG  90          HH12      ARG  90 -13.770  -0.179   6.409
  676   HH21  ARG  90          HH21      ARG  90 -11.970   2.090   4.422
  677   HH22  ARG  90          HH22      ARG  90 -13.325   0.976   4.472
  678    H    THR  91           H        THR  91  -7.983  -2.910   9.305
  679    HA   THR  91           HA       THR  91  -7.240  -1.354  11.589
  680    HB   THR  91           HB       THR  91  -7.040  -4.361  11.148
  681    HG1  THR  91           HG1      THR  91  -9.092  -4.321  12.147
  682   HG21  THR  91          HG21      THR  91  -7.272  -4.445  13.624
  683   HG22  THR  91          HG22      THR  91  -5.786  -3.616  13.117
  684   HG23  THR  91          HG23      THR  91  -7.182  -2.666  13.676
  685    H    GLU  92           H        GLU  92  -5.361  -3.381   9.307
  686    HA   GLU  92           HA       GLU  92  -2.824  -3.040  10.668
  687    HB2  GLU  92           HB2      GLU  92  -3.357  -4.848   9.012
  688    HB3  GLU  92           HB3      GLU  92  -3.491  -3.608   7.752
  689    HG2  GLU  92           HG2      GLU  92  -1.288  -4.681   7.684
  690    HG3  GLU  92           HG3      GLU  92  -1.135  -2.971   8.105
  691    H    MET  93           H        MET  93  -4.569  -1.285   8.073
  692    HA   MET  93           HA       MET  93  -2.416   0.418   7.355
  693    HB2  MET  93           HB2      MET  93  -4.451   0.154   6.001
  694    HB3  MET  93           HB3      MET  93  -5.422   0.888   7.296
  695    HG2  MET  93           HG2      MET  93  -4.143   2.986   7.083
  696    HG3  MET  93           HG3      MET  93  -3.151   2.257   5.821
  697    HE1  MET  93           HE1      MET  93  -7.105   1.878   6.269
  698    HE2  MET  93           HE2      MET  93  -6.611   3.451   6.943
  699    HE3  MET  93           HE3      MET  93  -7.613   3.377   5.467
  700    H    ASP  94           H        ASP  94  -5.058   0.822   9.767
  701    HA   ASP  94           HA       ASP  94  -4.371   3.473  10.510
  702    HB2  ASP  94           HB2      ASP  94  -6.518   2.228  10.922
  703    HB3  ASP  94           HB3      ASP  94  -5.683   1.316  12.181
  704    H    TRP  95           H        TRP  95  -3.124   0.338  11.422
  705    HA   TRP  95           HA       TRP  95  -1.907   1.191  13.921
  706    HB2  TRP  95           HB2      TRP  95  -2.796  -1.088  13.476
  707    HB3  TRP  95           HB3      TRP  95  -1.576  -1.318  12.237
  708    HD1  TRP  95           HD1      TRP  95  -2.009  -1.304  16.016
  709    HE1  TRP  95           HE1      TRP  95   0.082  -2.247  17.138
  710    HE3  TRP  95           HE3      TRP  95   1.003  -1.638  11.916
  711    HZ2  TRP  95           HZ2      TRP  95   2.779  -2.983  16.355
  712    HZ3  TRP  95           HZ3      TRP  95   3.336  -2.403  12.124
  713    HH2  TRP  95           HH2      TRP  95   4.241  -3.091  14.338
  714    H    VAL  96           H        VAL  96  -0.874   1.197  10.564
  715    HA   VAL  96           HA       VAL  96   1.924   1.613  11.528
  716    HB   VAL  96           HB       VAL  96   1.578  -0.534  10.347
  717   HG11  VAL  96          HG11      VAL  96   0.982   1.174   7.943
  718   HG12  VAL  96          HG12      VAL  96   1.196  -0.600   8.003
  719   HG13  VAL  96          HG13      VAL  96  -0.183   0.147   8.828
  720   HG21  VAL  96          HG21      VAL  96   3.779   0.612  10.337
  721   HG22  VAL  96          HG22      VAL  96   3.492  -0.360   8.879
  722   HG23  VAL  96          HG23      VAL  96   3.333   1.404   8.806
  723    H    LEU  97           H        LEU  97  -0.751   3.085   9.911
  724    HA   LEU  97           HA       LEU  97   0.656   4.952   8.292
  725    HB2  LEU  97           HB2      LEU  97  -2.025   4.521   9.298
  726    HB3  LEU  97           HB3      LEU  97  -1.603   6.218   9.513
  727    HG   LEU  97           HG       LEU  97  -2.739   5.758   7.370
  728   HD11  LEU  97          HD11      LEU  97  -1.170   6.984   5.921
  729   HD12  LEU  97          HD12      LEU  97  -1.190   7.669   7.562
  730   HD13  LEU  97          HD13      LEU  97   0.161   6.634   7.043
  731   HD21  LEU  97          HD21      LEU  97  -1.714   4.515   5.600
  732   HD22  LEU  97          HD22      LEU  97  -0.227   4.258   6.537
  733   HD23  LEU  97          HD23      LEU  97  -1.743   3.469   7.028
  734    H    LYS  98           H        LYS  98   0.693   4.483  11.672
  735    HA   LYS  98           HA       LYS  98   1.282   7.157  12.544
  736    HB2  LYS  98           HB2      LYS  98   1.958   4.447  13.749
  737    HB3  LYS  98           HB3      LYS  98   2.052   6.005  14.587
  738    HG2  LYS  98           HG2      LYS  98  -0.456   4.681  13.476
  739    HG3  LYS  98           HG3      LYS  98  -0.017   4.872  15.173
  740    HD2  LYS  98           HD2      LYS  98  -0.709   7.095  13.215
  741    HD3  LYS  98           HD3      LYS  98  -1.710   6.518  14.550
  742    HE2  LYS  98           HE2      LYS  98   1.039   7.792  14.851
  743    HE3  LYS  98           HE3      LYS  98  -0.504   8.632  15.081
  744    HZ1  LYS  98           HZ1      LYS  98   0.425   6.325  16.656
  745    HZ2  LYS  98           HZ2      LYS  98   0.406   7.891  17.158
  746    HZ3  LYS  98           HZ3      LYS  98  -1.008   7.108  16.859
  747    H    HIS  99           H        HIS  99   2.804   6.226  10.148
  748    HA   HIS  99           HA       HIS  99   4.855   6.254   9.254
  749    HB2  HIS  99           HB2      HIS  99   5.755   7.676  11.775
  750    HB3  HIS  99           HB3      HIS  99   6.535   7.710  10.191
  751    HD1  HIS  99           HD1      HIS  99   4.655   9.995  12.118
  752    HD2  HIS  99           HD2      HIS  99   4.279   8.469   8.219
  753    HE1  HIS  99           HE1      HIS  99   3.241  11.674  10.812
  754    H    SER 100           H        SER 100   4.030   4.047  11.131
  755    HA   SER 100           HA       SER 100   4.835   2.142  12.043
  756    HB2  SER 100           HB2      SER 100   5.775   2.053   9.720
  757    HB3  SER 100           HB3      SER 100   7.316   2.646  10.379
  758    HG   SER 100           HG       SER 100   7.200   0.349  10.275
  759    H    GLY 101           H        GLY 101   6.949   1.080  13.082
  760    HA2  GLY 101           HA2      GLY 101   8.727   2.779  14.500
  761    HA3  GLY 101           HA3      GLY 101   7.333   2.420  15.534
  762    HA   PRO 102           HA       PRO 102  10.772  -0.831  15.964
  763    HB2  PRO 102           HB2      PRO 102   9.736  -0.328  18.757
  764    HB3  PRO 102           HB3      PRO 102  11.402  -0.755  18.239
  765    HG2  PRO 102           HG2      PRO 102  10.796   1.815  18.807
  766    HG3  PRO 102           HG3      PRO 102  11.750   1.436  17.335
  767    HD2  PRO 102           HD2      PRO 102   8.803   2.067  17.548
  768    HD3  PRO 102           HD3      PRO 102   9.995   2.627  16.337
  769    H5'    A   1           H5'        A   1  21.206   2.824   1.088
  770   H5''    A   1          H5''        A   1  19.460   2.491   1.051
  771    H4'    A   1           H4'        A   1  21.554   0.292   1.288
  772    H3'    A   1           H3'        A   1  21.475   1.819  -0.930
  773    H2'    A   1           H2'        A   1  19.251   2.080  -1.248
  774   HO2'    A   1          HO2'        A   1  20.086   0.953  -3.098
  775    H1'    A   1           H1'        A   1  18.416  -0.677  -0.685
  776    H8     A   1           H8         A   1  16.575  -0.928   1.205
  777    H61    A   1           H61        A   1  13.239   4.304   1.148
  778    H62    A   1           H62        A   1  13.278   2.643   1.700
  779    H2     A   1           H2         A   1  17.111   5.089  -0.872
  780   HO5'    A   1          HO5'        A   1  20.246   2.908   3.175
  781    H5'    G   2           H5'        G   2  19.700  -3.835  -2.069
  782   H5''    G   2          H5''        G   2  19.748  -2.304  -2.986
  783    H4'    G   2           H4'        G   2  17.635  -2.572  -0.875
  784    H3'    G   2           H3'        G   2  17.366  -3.886  -3.595
  785    H2'    G   2           H2'        G   2  15.031  -3.416  -3.268
  786   HO2'    G   2          HO2'        G   2  15.071  -4.237  -1.036
  787    H1'    G   2           H1'        G   2  15.650  -1.040  -1.739
  788    H8     G   2           H8         G   2  16.991  -0.924  -5.226
  789    H1     G   2           H1         G   2  10.850   0.761  -4.779
  790    H21    G   2           H21        G   2  10.170   0.510  -2.628
  791    H22    G   2           H22        G   2  11.233  -0.167  -1.419
  792    H5'    G   3           H5'        G   3  14.184  -6.071  -1.630
  793   H5''    G   3          H5''        G   3  14.706  -7.754  -1.837
  794    H4'    G   3           H4'        G   3  12.486  -7.692  -2.649
  795    H3'    G   3           H3'        G   3  14.631  -8.309  -4.433
  796    H2'    G   3           H2'        G   3  14.278  -6.310  -5.662
  797   HO2'    G   3          HO2'        G   3  13.114  -6.881  -7.521
  798    H1'    G   3           H1'        G   3  11.333  -6.794  -5.046
  799    H8     G   3           H8         G   3  13.923  -4.164  -6.209
  800    H1     G   3           H1         G   3   7.749  -2.721  -7.287
  801    H21    G   3           H21        G   3   6.465  -4.097  -6.079
  802    H22    G   3           H22        G   3   7.172  -5.453  -5.220
  803    H5'    G   4           H5'        G   4  13.944  -9.630  -1.198
  804   H5''    G   4          H5''        G   4  13.566 -11.355  -1.254
  805    H4'    G   4           H4'        G   4  12.983 -10.616   0.914
  806    H3'    G   4           H3'        G   4  11.141 -11.931  -0.559
  807    H2'    G   4           H2'        G   4  10.144  -9.998  -1.555
  808   HO2'    G   4          HO2'        G   4   8.733 -10.527   0.857
  809    H1'    G   4           H1'        G   4  10.073  -8.547   1.053
  810    H8     G   4           H8         G   4   8.853  -8.260  -2.115
  811    H1     G   4           H1         G   4  12.347  -2.987  -1.016
  812    H21    G   4           H21        G   4  13.658  -3.315   0.755
  813    H22    G   4           H22        G   4  13.638  -4.820   1.648
  814    H5'    A   5           H5'        A   5   7.703 -14.468   2.010
  815   H5''    A   5          H5''        A   5   8.081 -14.189   0.301
  816    H4'    A   5           H4'        A   5   5.834 -12.923   1.938
  817    H3'    A   5           H3'        A   5   5.600 -15.296   0.729
  818    H2'    A   5           H2'        A   5   6.890 -14.622  -1.190
  819   HO2'    A   5          HO2'        A   5   4.860 -15.618  -1.869
  820    H1'    A   5           H1'        A   5   5.120 -12.242  -1.621
  821    H8     A   5           H8         A   5   8.880 -12.999  -1.091
  822    H61    A   5           H61        A   5   9.649 -10.293  -6.620
  823    H62    A   5           H62        A   5  10.466 -11.129  -5.308
  824    H2     A   5           H2         A   5   5.323 -10.148  -5.567
  825    H5'    U   6           H5'        U   6   0.915 -14.618  -2.369
  826   H5''    U   6          H5''        U   6   2.513 -15.124  -2.958
  827    H4'    U   6           H4'        U   6   1.591 -13.699  -4.640
  828    H3'    U   6           H3'        U   6   3.758 -12.472  -2.954
  829   HO3'    U   6          HO3'        U   6   4.852 -12.623  -4.924
  830    H2'    U   6           H2'        U   6   3.577 -10.350  -3.952
  831   HO2'    U   6          HO2'        U   6   2.149  -9.957  -5.653
  832    H1'    U   6           H1'        U   6   1.022 -10.124  -3.435
  833    H3     U   6           H3         U   6   0.734 -11.256   1.208
  834    H5     U   6           H5         U   6   4.698 -10.341   0.184
  835    H6     U   6           H6         U   6   4.123 -10.519  -2.115