*HEADER    ELECTRON TRANSPORT                      20-NOV-02   1J0Q              
*TITLE     SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME           
*TITLE    2 B5 MUTANT V61H                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME B5;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: TRYPSIN-SOLUBILIZED FRAGMENT;                              
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PUC19                                     
*KEYWDS    HELIX, BETA, BETA, HELIX, HELIX, HELIX, HELIX, BETA                   
*EXPDTA    NMR, 35 STRUCTURES                                                    
*AUTHOR    H.WU, Z.HUANG, C.CAO, Q.ZHANG, Y.-H.WANG, J.-B.MA, L.-L.XUE           
*REVDAT   1   12-AUG-03 1J0Q    0                                                

  4 VAL  HA      5 LYS  HN      3.40                
  4 VAL  HB      5 LYS  HN      3.50                
  4 VAL  HB      6 TYR  HN      4.10                
  4 VAL  HB      6 TYR  QD      6.30                
  4 VAL  HB      6 TYR  QE      7.20                
  4 VAL  QG1     5 LYS  HN      5.90                
  4 VAL  QG1     6 TYR  QD      9.00                
  4 VAL  QG1     6 TYR  QE      8.10                
  4 VAL  QG1    78 GLU  HB2     7.25                
  4 VAL  QG1    78 GLU  HB3     7.25                
  4 VAL  QG2     5 LYS  HN      5.90                
  4 VAL  QG2     6 TYR  QD      9.00                
  4 VAL  QG2     6 TYR  QE      8.10                
  4 VAL  QG2    78 GLU  HB2     7.25                
  4 VAL  QG2    78 GLU  HB3     7.25                
  4 VAL  QQG     5 LYS  HN      5.54                
  4 VAL  QQG     5 LYS  HA      7.46                
  4 VAL  QQG     6 TYR  QD      8.56                
  4 VAL  QQG     6 TYR  QE      7.75                
  4 VAL  QQG    78 GLU  HN      8.56                
  4 VAL  QQG    78 GLU  QB      5.99                
  5 LYS  HN      5 LYS  HB2     3.70                
  5 LYS  HN      5 LYS  HB3     3.70                
  5 LYS  HN      5 LYS  QB      3.44                
  5 LYS  HN      6 TYR  QB      6.28                
  5 LYS  HN     77 GLY  HA1     4.40                
  5 LYS  HA      5 LYS  QD      6.18                
  5 LYS  HA      6 TYR  QB      5.98                
  5 LYS  HA      7 TYR  QD      7.30                
  5 LYS  HA      7 TYR  QE      6.80                
  5 LYS  HB2     6 TYR  HN      4.10                
  5 LYS  HB2     7 TYR  QE      6.90                
  5 LYS  HB3     6 TYR  HN      4.10                
  5 LYS  HB3     7 TYR  QE      6.90                
  5 LYS  QB      6 TYR  HN      3.85                
  5 LYS  QB      7 TYR  QE      6.50                
  5 LYS  HG2     7 TYR  QE      7.80                
  5 LYS  HG3     7 TYR  QE      7.80                
  5 LYS  QG      6 TYR  HN      6.88                
  5 LYS  QG      7 TYR  QD      8.88                
  5 LYS  QG      7 TYR  QE      7.55                
  5 LYS  QD      7 TYR  QE      8.88                
  6 TYR  HN      6 TYR  HB2     4.00                
  6 TYR  HN      6 TYR  HB3     4.00                
  6 TYR  HN      6 TYR  QB      3.75                
  6 TYR  HN      7 TYR  HN      6.00                
  6 TYR  HN     78 GLU  HN      5.40                
  6 TYR  HN     80 HIS  HD2     6.00                
  6 TYR  HA      6 TYR  QE      6.00                
  6 TYR  HA      7 TYR  HA      5.50                
  6 TYR  HA      7 TYR  HB2     5.70                
  6 TYR  HA      7 TYR  HB3     5.70                
  6 TYR  HA      7 TYR  QB      5.06                
  6 TYR  HA     29 VAL  QQG     8.56                
  6 TYR  HA     78 GLU  HN      3.80                
  6 TYR  HA     78 GLU  HB2     5.60                
  6 TYR  HA     78 GLU  HB3     5.60                
  6 TYR  HA     78 GLU  QB      5.09                
  6 TYR  HA     80 HIS  HA      5.10                
  6 TYR  HA     80 HIS  HD2     5.10                
  6 TYR  HB2     7 TYR  HN      4.90                
  6 TYR  HB2    80 HIS  HA      5.80                
  6 TYR  HB2    80 HIS  HD2     3.90                
  6 TYR  HB3     7 TYR  HN      4.90                
  6 TYR  HB3    80 HIS  HA      5.80                
  6 TYR  HB3    80 HIS  HD2     3.90                
  6 TYR  QB      8 THR  QG2     7.18                
  6 TYR  QB     78 GLU  HN      5.18                
  6 TYR  QB     80 HIS  HN      6.58                
  6 TYR  QB     80 HIS  HA      5.07                
  6 TYR  QB     80 HIS  HD2     3.60                
  6 TYR  QB     81 PRO  QG      6.98                
  6 TYR  QD      7 TYR  HN      6.80                
  6 TYR  QD     78 GLU  HN      6.80                
  6 TYR  QD     78 GLU  HB2     6.00                
  6 TYR  QD     78 GLU  HB3     6.00                
  6 TYR  QD     80 HIS  HN      8.00                
  6 TYR  QD     80 HIS  HA      6.00                
  6 TYR  QD     80 HIS  HB2     7.70                
  6 TYR  QD     80 HIS  HB3     7.70                
  6 TYR  QD     80 HIS  QB      7.31                
  6 TYR  QD     80 HIS  HD2     6.60                
  6 TYR  QD     81 PRO  QG      9.00                
  6 TYR  QE      7 TYR  HN      7.30                
  6 TYR  QE      7 TYR  QB      8.88                
  6 TYR  QE     78 GLU  HN      7.20                
  6 TYR  QE     78 GLU  HB2     5.90                
  6 TYR  QE     78 GLU  HB3     5.90                
  6 TYR  QE     78 GLU  QB      5.64                
  6 TYR  QE     79 LEU  HN      8.00                
  6 TYR  QE     80 HIS  HA      6.20                
  6 TYR  QE     81 PRO  QG      8.40                
  7 TYR  HN      7 TYR  QB      3.70                
  7 TYR  HN     11 GLU  QG      7.00                
  7 TYR  HN     77 GLY  HA1     4.60                
  7 TYR  HN     78 GLU  HN      4.60                
  7 TYR  HN     78 GLU  QB      6.88                
  7 TYR  HN     79 LEU  HA      6.00                
  7 TYR  HN     80 HIS  HN      4.50                
  7 TYR  HN     80 HIS  QB      5.98                
  7 TYR  HN     80 HIS  HD2     6.00                
  7 TYR  HA      8 THR  HN      2.80                
  7 TYR  HA      8 THR  QG2     6.50                
  7 TYR  HA     22 TRP  HZ3     6.00                
  7 TYR  HA     80 HIS  HD2     5.70                
  7 TYR  HB2     8 THR  HN      4.30                
  7 TYR  HB2    12 ILE  QG2     7.00                
  7 TYR  HB2    22 TRP  HZ3     5.80                
  7 TYR  HB2    29 VAL  QG1     7.00                
  7 TYR  HB2    29 VAL  QG2     7.00                
  7 TYR  HB3     8 THR  HN      4.30                
  7 TYR  HB3    12 ILE  QG2     7.00                
  7 TYR  HB3    22 TRP  HZ3     5.80                
  7 TYR  HB3    29 VAL  QG1     7.00                
  7 TYR  HB3    29 VAL  QG2     7.00                
  7 TYR  QB      8 THR  HN      3.91                
  7 TYR  QB     12 ILE  QG2     6.65                
  7 TYR  QB     22 TRP  HZ3     5.07                
  7 TYR  QB     29 VAL  QQG     6.29                
  7 TYR  QD      8 THR  HN      7.40                
  7 TYR  QD     11 GLU  QB      8.48                
  7 TYR  QD     11 GLU  QG      8.70                
  7 TYR  QD     22 TRP  HE3     8.00                
  7 TYR  QD     22 TRP  HZ3     6.20                
  7 TYR  QD     22 TRP  HZ2     5.70                
  7 TYR  QD     22 TRP  HH2     7.10                
  7 TYR  QD     29 VAL  HB      6.10                
  7 TYR  QD     29 VAL  QG1     9.00                
  7 TYR  QD     29 VAL  QG2     9.00                
  7 TYR  QD     29 VAL  QQG     8.47                
  7 TYR  QD     76 ILE  QD1     9.00                
  7 TYR  QD     77 GLY  HA1     7.50                
  7 TYR  QD     77 GLY  HA2     7.60                
  7 TYR  QD     78 GLU  HN      7.30                
  7 TYR  QE     11 GLU  QB      8.68                
  7 TYR  QE     11 GLU  QG      9.00                
  7 TYR  QE     22 TRP  HZ3     6.30                
  7 TYR  QE     29 VAL  HN      8.00                
  7 TYR  QE     29 VAL  HB      6.70                
  7 TYR  QE     29 VAL  QG1     8.70                
  7 TYR  QE     29 VAL  QG2     8.70                
  7 TYR  QE     76 ILE  HA      7.20                
  7 TYR  QE     76 ILE  HB      6.80                
  7 TYR  QE     76 ILE  QG2     9.00                
  7 TYR  QE     76 ILE  HG12    7.30                
  7 TYR  QE     76 ILE  HG13    7.30                
  7 TYR  QE     76 ILE  QG1     6.86                
  7 TYR  QE     76 ILE  QD1     8.60                
  7 TYR  QE     77 GLY  HN      7.50                
  7 TYR  QE     77 GLY  HA1     6.60                
  7 TYR  QE     77 GLY  HA2     6.00                
  7 TYR  QE     78 GLU  HN      7.20                
  8 THR  HN      8 THR  QG2     3.60                
  8 THR  HN      9 LEU  HN      6.00                
  8 THR  HN     11 GLU  HN      5.10                
  8 THR  HN     11 GLU  HA      6.00                
  8 THR  HN     11 GLU  QB      5.18                
  8 THR  HN     80 HIS  QB      6.68                
  8 THR  HA      8 THR  QG2     3.50                
  8 THR  HA      9 LEU  HN      3.10                
  8 THR  HA      9 LEU  HB2     4.90                
  8 THR  HA     10 GLU  HN      4.80                
  8 THR  HA     80 HIS  HN      3.70                
  8 THR  HA     80 HIS  HB2     4.70                
  8 THR  HA     80 HIS  HB3     4.70                
  8 THR  HA     80 HIS  QB      4.42                
  8 THR  HA     80 HIS  HD2     4.80                
  8 THR  QG2     9 LEU  HN      5.70                
  8 THR  QG2    10 GLU  HN      7.00                
  8 THR  QG2    11 GLU  QB      7.88                
  8 THR  QG2    80 HIS  HN      7.00                
  8 THR  QG2    80 HIS  HB2     5.60                
  8 THR  QG2    80 HIS  HB3     5.60                
  8 THR  QG2    80 HIS  QB      5.43                
  8 THR  QG2    80 HIS  HD2     5.00                
  8 THR  QG2    83 ASP  HN      7.00                
  9 LEU  HN      9 LEU  HB2     3.40                
  9 LEU  HN      9 LEU  HB3     3.40                
  9 LEU  HN      9 LEU  HG      6.00                
  9 LEU  HN      9 LEU  QD1     5.30                
  9 LEU  HN      9 LEU  QD2     4.90                
  9 LEU  HN     10 GLU  HN      3.60                
  9 LEU  HN     10 GLU  HA      6.00                
  9 LEU  HN     10 GLU  HB2     6.00                
  9 LEU  HN     10 GLU  HB3     6.00                
  9 LEU  HN     10 GLU  QB      5.64                
  9 LEU  HN     12 ILE  QG2     7.00                
  9 LEU  HN     79 LEU  QQD     8.57                
  9 LEU  HN     80 HIS  HN      5.60                
  9 LEU  HN     80 HIS  QB      6.38                
  9 LEU  HN     83 ASP  HB2     6.00                
  9 LEU  HN     83 ASP  HB3     6.00                
  9 LEU  HN     83 ASP  QB      5.84                
  9 LEU  HA      9 LEU  HB2     2.80                
  9 LEU  HA      9 LEU  HG      4.10                
  9 LEU  HA      9 LEU  QD1     4.50                
  9 LEU  HA      9 LEU  QD2     4.40                
  9 LEU  HA     11 GLU  HN      4.50                
  9 LEU  HA     12 ILE  HN      3.50                
  9 LEU  HA     12 ILE  HA      5.60                
  9 LEU  HA     12 ILE  HB      3.40                
  9 LEU  HA     12 ILE  QG2     5.20                
  9 LEU  HA     13 GLU  HN      3.80                
  9 LEU  HB2    10 GLU  HN      4.20                
  9 LEU  HB2    13 GLU  HN      5.20                
  9 LEU  HB3    10 GLU  HN      3.40                
  9 LEU  HB3    80 HIS  HN      5.70                
  9 LEU  HG     10 GLU  HN      5.80                
  9 LEU  HG     13 GLU  QG      4.90                
  9 LEU  QD2    10 GLU  HN      6.60                
 10 GLU  HN     10 GLU  HB2     3.30                
 10 GLU  HN     10 GLU  HB3     3.30                
 10 GLU  HN     10 GLU  QB      2.93                
 10 GLU  HN     10 GLU  HG2     5.10                
 10 GLU  HN     10 GLU  HG3     5.10                
 10 GLU  HN     10 GLU  QG      4.78                
 10 GLU  HN     11 GLU  HN      3.70                
 10 GLU  HN     12 ILE  HN      4.50                
 10 GLU  HN     13 GLU  QG      6.20                
 10 GLU  HA     10 GLU  HB2     3.00                
 10 GLU  HA     10 GLU  HB3     3.00                
 10 GLU  HA     10 GLU  QG      3.86                
 10 GLU  HA     12 ILE  HN      5.00                
 10 GLU  HA     13 GLU  HN      5.50                
 10 GLU  HA     13 GLU  QG      6.50                
 10 GLU  HA     14 LYS  HN      5.50                
 10 GLU  HB2    11 GLU  HN      3.70                
 10 GLU  HB3    11 GLU  HN      3.70                
 10 GLU  HG2    11 GLU  HN      6.00                
 10 GLU  HG3    11 GLU  HN      6.00                
 10 GLU  QG     11 GLU  HN      5.27                
 10 GLU  QG     11 GLU  HA      5.58                
 11 GLU  HN     11 GLU  HB2     3.70                
 11 GLU  HN     11 GLU  HB3     3.70                
 11 GLU  HN     11 GLU  QB      3.35                
 11 GLU  HN     11 GLU  QG      6.70                
 11 GLU  HN     12 ILE  HN      3.40                
 11 GLU  HN     12 ILE  HA      5.50                
 11 GLU  HN     12 ILE  HB      6.00                
 11 GLU  HN     12 ILE  QG2     7.00                
 11 GLU  HN     13 GLU  HN      5.80                
 11 GLU  HA     13 GLU  HN      4.50                
 11 GLU  HA     14 LYS  HN      3.90                
 11 GLU  HA     14 LYS  HB2     4.00                
 11 GLU  HA     14 LYS  HB3     3.50                
 11 GLU  HA     14 LYS  QG      4.10                
 11 GLU  HA     14 LYS  QE      5.60                
 11 GLU  HB2    12 ILE  HN      4.00                
 11 GLU  HB2    22 TRP  HH2     5.70                
 11 GLU  HB3    12 ILE  HN      4.00                
 11 GLU  HB3    22 TRP  HH2     5.70                
 11 GLU  QB     12 ILE  HN      3.65                
 11 GLU  QB     12 ILE  HA      4.48                
 11 GLU  QB     22 TRP  HZ3     4.98                
 11 GLU  QB     22 TRP  HH2     4.97                
 11 GLU  QG     12 ILE  HN      5.50                
 11 GLU  QG     22 TRP  HZ3     5.70                
 11 GLU  QG     22 TRP  HH2     6.60                
 12 ILE  HN     12 ILE  HB      3.30                
 12 ILE  HN     12 ILE  QG1     5.90                
 12 ILE  HN     13 GLU  HN      3.40                
 12 ILE  HN     13 GLU  QG      5.40                
 12 ILE  HN     14 LYS  HN      5.30                
 12 ILE  HN     15 HIS  HD2     5.80                
 12 ILE  HN     22 TRP  HZ3     6.00                
 12 ILE  HA     12 ILE  QG2     3.60                
 12 ILE  HA     14 LYS  HN      4.40                
 12 ILE  HA     15 HIS  HN      4.60                
 12 ILE  HA     15 HIS  HB3     5.40                
 12 ILE  HA     15 HIS  HD2     4.30                
 12 ILE  HA     22 TRP  HE3     4.80                
 12 ILE  HA     22 TRP  HZ3     5.00                
 12 ILE  HA     29 VAL  QQG     8.56                
 12 ILE  HB     13 GLU  HN      3.60                
 12 ILE  HB     13 GLU  QG      6.90                
 12 ILE  HB     52 GLY  HA1     5.20                
 12 ILE  QG2    13 GLU  HN      5.30                
 12 ILE  QG2    13 GLU  QG      8.00                
 12 ILE  QG2    14 LYS  HN      7.00                
 12 ILE  QG2    22 TRP  HA      7.00                
 12 ILE  QG2    22 TRP  HB3     5.40                
 12 ILE  QG2    22 TRP  HZ3     7.00                
 12 ILE  QG2    29 VAL  HA      6.50                
 12 ILE  QG2    29 VAL  QG1     6.40                
 12 ILE  QG2    29 VAL  QG2     6.40                
 12 ILE  QG2    29 VAL  QQG     5.57                
 12 ILE  QG2    51 GLY  QA      7.48                
 12 ILE  QG2    52 GLY  HA1     7.00                
 12 ILE  QG2    79 LEU  HA      7.00                
 12 ILE  QG1    22 TRP  HA      7.00                
 12 ILE  QG1    29 VAL  QQG     9.26                
 13 GLU  HN     13 GLU  HB2     3.70                
 13 GLU  HN     13 GLU  HB3     3.70                
 13 GLU  HN     13 GLU  QB      3.30                
 13 GLU  HN     13 GLU  QG      5.10                
 13 GLU  HN     14 LYS  HN      3.50                
 13 GLU  HN     14 LYS  HB2     4.90                
 13 GLU  HN     14 LYS  HB3     4.80                
 13 GLU  HN     14 LYS  QG      7.00                
 13 GLU  HN     15 HIS  HN      5.60                
 13 GLU  HN     51 GLY  QA      5.78                
 13 GLU  HA     15 HIS  HN      5.30                
 13 GLU  HA     51 GLY  HN      5.60                
 13 GLU  HA     51 GLY  HA1     2.90                
 13 GLU  HA     51 GLY  HA2     2.90                
 13 GLU  HB2    14 LYS  HN      4.10                
 13 GLU  HB3    14 LYS  HN      4.10                
 13 GLU  QB     14 LYS  HN      3.90                
 13 GLU  QB     14 LYS  HA      4.98                
 13 GLU  QG     14 LYS  HN      6.20                
 13 GLU  QG     51 GLY  QA      6.98                
 14 LYS  HN     14 LYS  HB2     3.20                
 14 LYS  HN     14 LYS  HB3     3.30                
 14 LYS  HN     14 LYS  QG      4.90                
 14 LYS  HN     14 LYS  QE      6.40                
 14 LYS  HN     15 HIS  HN      3.30                
 14 LYS  HN     15 HIS  HD2     4.90                
 14 LYS  HA     14 LYS  QE      7.00                
 14 LYS  HB2    14 LYS  QE      4.90                
 14 LYS  HB2    15 HIS  HN      4.10                
 14 LYS  HB3    14 LYS  QE      4.90                
 14 LYS  HB3    15 HIS  HD2     5.00                
 14 LYS  QG     15 HIS  HN      6.50                
 15 HIS  HN     15 HIS  HB2     3.10                
 15 HIS  HN     15 HIS  HD2     5.70                
 15 HIS  HN     16 ASN  HN      4.90                
 15 HIS  HN     16 ASN  QB      6.18                
 15 HIS  HA     15 HIS  HD2     5.10                
 15 HIS  HA     15 HIS  HE1     6.00                
 15 HIS  HA     16 ASN  HN      2.90                
 15 HIS  HA     22 TRP  HN      6.00                
 15 HIS  HB2    22 TRP  HB3     4.10                
 15 HIS  HB3    16 ASN  HN      4.10                
 15 HIS  HB3    21 THR  HA      6.00                
 15 HIS  HB3    22 TRP  HN      4.20                
 15 HIS  HB3    22 TRP  HA      4.60                
 15 HIS  HB3    22 TRP  HB3     5.80                
 15 HIS  HD1    22 TRP  HB3     5.70                
 15 HIS  HE1    22 TRP  HH2     5.90                
 16 ASN  HN     16 ASN  HB2     4.00                
 16 ASN  HN     16 ASN  HB3     4.00                
 16 ASN  HN     16 ASN  HD22    5.60                
 16 ASN  HN     17 ASN  HN      3.30                
 16 ASN  HN     21 THR  HA      5.30                
 16 ASN  HA     17 ASN  HN      3.20                
 16 ASN  HA     50 ALA  QB      5.30                
 16 ASN  HA     51 GLY  HN      5.00                
 16 ASN  HB2    50 ALA  QB      5.80                
 16 ASN  HB2    51 GLY  HA1     6.05                
 16 ASN  HB2    51 GLY  HA2     6.05                
 16 ASN  HB3    50 ALA  QB      5.80                
 16 ASN  HB3    51 GLY  HA1     6.05                
 16 ASN  HB3    51 GLY  HA2     6.05                
 16 ASN  QB     21 THR  QG2     7.88                
 16 ASN  QB     50 ALA  QB      5.30                
 16 ASN  QB     51 GLY  QA      5.00                
 17 ASN  HN     17 ASN  HB2     4.10                
 17 ASN  HN     17 ASN  HB3     4.10                
 17 ASN  HN     18 SER  HN      4.10                
 17 ASN  HN     19 LYS  QB      6.88                
 17 ASN  HN     19 LYS  HG2     4.80                
 17 ASN  HN     21 THR  HA      4.40                
 17 ASN  HN     21 THR  QG2     7.00                
 18 SER  HN     19 LYS  QB      6.18                
 19 LYS  HN     19 LYS  HB2     3.60                
 19 LYS  HN     19 LYS  HB3     3.60                
 19 LYS  HN     19 LYS  QB      3.29                
 19 LYS  HN     19 LYS  HG2     5.20                
 19 LYS  HN     19 LYS  HG3     5.40                
 19 LYS  HN     19 LYS  QD      7.00                
 19 LYS  HN     20 SER  HN      3.20                
 19 LYS  HA     19 LYS  HB2     3.00                
 19 LYS  HA     19 LYS  HB3     3.00                
 19 LYS  HA     19 LYS  HG2     3.80                
 19 LYS  HA     19 LYS  HG3     4.10                
 19 LYS  HA     19 LYS  QD      6.10                
 19 LYS  HB2    20 SER  HN      3.60                
 19 LYS  HB3    20 SER  HN      3.60                
 19 LYS  QB     20 SER  HN      3.39                
 20 SER  HN     20 SER  HB2     4.00                
 20 SER  HN     20 SER  HB3     4.00                
 20 SER  HN     20 SER  QB      3.80                
 20 SER  HN     21 THR  HN      3.90                
 20 SER  HN     33 THR  QG2     6.40                
 20 SER  HB2    21 THR  HN      5.70                
 20 SER  HB3    21 THR  HN      5.70                
 21 THR  HN     21 THR  HB      3.80                
 21 THR  HN     21 THR  QG2     4.90                
 21 THR  HN     33 THR  HN      4.70                
 21 THR  HN     33 THR  HA      3.50                
 21 THR  HN     33 THR  QG2     6.20                
 21 THR  HN     36 LEU  QD1     7.00                
 21 THR  HN     36 LEU  QD2     7.00                
 21 THR  HA     22 TRP  HN      3.30                
 21 THR  HA     50 ALA  QB      5.30                
 21 THR  HB     32 LEU  HN      4.70                
 21 THR  HB     33 THR  HN      6.00                
 21 THR  HB     36 LEU  HG      5.40                
 21 THR  HB     36 LEU  QD1     5.70                
 21 THR  HB     36 LEU  QD2     5.70                
 21 THR  HB     36 LEU  QQD     5.33                
 21 THR  HB     50 ALA  QB      6.10                
 21 THR  QG2    22 TRP  HN      6.80                
 21 THR  QG2    22 TRP  HA      7.00                
 21 THR  QG2    23 LEU  QD1     6.40                
 21 THR  QG2    32 LEU  HN      6.90                
 21 THR  QG2    33 THR  HN      7.00                
 21 THR  QG2    36 LEU  QD1     5.60                
 21 THR  QG2    36 LEU  QD2     5.60                
 21 THR  QG2    36 LEU  QQD     5.17                
 21 THR  QG2    50 ALA  HN      6.20                
 21 THR  QG2    50 ALA  HA      5.40                
 21 THR  QG2    50 ALA  QB      5.20                
 21 THR  QG2    51 GLY  HN      7.00                
 21 THR  O      32 LEU  N       3.20                
 21 THR  O      32 LEU  HN      2.20                
 22 TRP  HN     22 TRP  HB2     3.70                
 22 TRP  HN     22 TRP  HB3     3.70                
 22 TRP  HN     22 TRP  HD1     6.00                
 22 TRP  HN     23 LEU  HN      5.50                
 22 TRP  HN     31 ASP  HA      5.10                
 22 TRP  HN     50 ALA  HA      4.80                
 22 TRP  HN     50 ALA  QB      7.00                
 22 TRP  HA     23 LEU  HA      4.90                
 22 TRP  HA     23 LEU  HG      5.80                
 22 TRP  HA     29 VAL  QQG     8.56                
 22 TRP  HA     30 TYR  HN      4.40                
 22 TRP  HA     31 ASP  HA      3.40                
 22 TRP  HA     31 ASP  QB      6.48                
 22 TRP  HA     32 LEU  HN      4.10                
 22 TRP  HA     32 LEU  HG      6.00                
 22 TRP  HB2    22 TRP  HD1     3.70                
 22 TRP  HB2    22 TRP  HZ3     6.00                
 22 TRP  HB2    23 LEU  HN      5.80                
 22 TRP  HB2    31 ASP  HA      5.40                
 22 TRP  HB2    76 ILE  QD1     7.00                
 22 TRP  HB3    22 TRP  HD1     3.70                
 22 TRP  HB3    23 LEU  HN      4.40                
 22 TRP  HB3    29 VAL  QQG     7.46                
 22 TRP  HB3    31 ASP  HA      5.20                
 22 TRP  HB3    51 GLY  QA      6.28                
 22 TRP  HD1    29 VAL  QQG     6.96                
 22 TRP  HD1    31 ASP  HN      5.60                
 22 TRP  HD1    31 ASP  HA      3.60                
 22 TRP  HD1    31 ASP  QB      5.28                
 22 TRP  HD1    32 LEU  HN      4.70                
 22 TRP  HE3    76 ILE  QD1     6.30                
 22 TRP  HE1    31 ASP  HN      6.00                
 22 TRP  HE1    76 ILE  QD1     6.20                
 22 TRP  HZ3    29 VAL  QG1     7.00                
 22 TRP  HZ3    29 VAL  QG2     7.00                
 22 TRP  HZ3    76 ILE  QD1     7.00                
 22 TRP  HZ2    76 ILE  QD1     5.60                
 22 TRP  HH2    76 ILE  QD1     5.90                
 23 LEU  N      30 TYR  O       3.20                
 23 LEU  HN     23 LEU  HG      4.50                
 23 LEU  HN     23 LEU  QD1     4.70                
 23 LEU  HN     24 ILE  HN      4.80                
 23 LEU  HN     24 ILE  HA      5.10                
 23 LEU  HN     29 VAL  HA      4.50                
 23 LEU  HN     29 VAL  HB      6.00                
 23 LEU  HN     29 VAL  QQG     8.56                
 23 LEU  HN     30 TYR  HN      4.10                
 23 LEU  HN     30 TYR  QD      7.30                
 23 LEU  HN     30 TYR  QE      7.80                
 23 LEU  HN     30 TYR  O       2.20                
 23 LEU  HN     31 ASP  HA      4.40                
 23 LEU  HN     51 GLY  HN      5.70                
 23 LEU  HA     23 LEU  HG      4.10                
 23 LEU  HA     23 LEU  QD1     4.70                
 23 LEU  HA     23 LEU  QD2     4.70                
 23 LEU  HA     24 ILE  HN      3.40                
 23 LEU  HA     24 ILE  HA      5.60                
 23 LEU  HA     51 GLY  HN      5.50                
 23 LEU  HA     52 GLY  HN      4.00                
 23 LEU  HB2    50 ALA  HA      4.20                
 23 LEU  HB2    54 ALA  QB      5.40                
 23 LEU  HB3    23 LEU  QD2     3.70                
 23 LEU  HB3    24 ILE  HN      3.10                
 23 LEU  HB3    30 TYR  HN      6.00                
 23 LEU  HB3    30 TYR  QB      6.88                
 23 LEU  HB3    32 LEU  QD2     7.00                
 23 LEU  HB3    50 ALA  HA      4.00                
 23 LEU  HB3    51 GLY  HN      6.00                
 23 LEU  HB3    52 GLY  HN      5.30                
 23 LEU  HB3    54 ALA  HN      4.30                
 23 LEU  HB3    54 ALA  QB      6.30                
 23 LEU  HG     24 ILE  HN      5.30                
 23 LEU  HG     25 LEU  QD1     6.50                
 23 LEU  HG     30 TYR  HN      5.10                
 23 LEU  HG     30 TYR  QB      6.58                
 23 LEU  HG     32 LEU  HN      5.40                
 23 LEU  HG     32 LEU  QD1     5.50                
 23 LEU  HG     50 ALA  HA      4.50                
 23 LEU  HG     51 GLY  HN      5.30                
 23 LEU  HG     52 GLY  HN      5.60                
 23 LEU  HG     54 ALA  QB      6.60                
 23 LEU  QD1    24 ILE  HN      7.00                
 23 LEU  QD1    25 LEU  HG      6.40                
 23 LEU  QD1    25 LEU  QD1     5.70                
 23 LEU  QD1    25 LEU  QD2     5.60                
 23 LEU  QD1    30 TYR  QB      6.68                
 23 LEU  QD1    30 TYR  QD      8.60                
 23 LEU  QD1    32 LEU  QD2     7.20                
 23 LEU  QD1    49 GLN  QB      7.88                
 23 LEU  QD1    50 ALA  HA      6.00                
 23 LEU  QD1    50 ALA  QB      7.30                
 23 LEU  QD1    52 GLY  HN      7.00                
 23 LEU  QD1    54 ALA  QB      6.20                
 23 LEU  QD1   116 LHEM QT2     7.24                
 23 LEU  QD1   116 LHEM HAM     6.20                
 23 LEU  QD1   116 LHEM QM3     4.60                
 23 LEU  QD2    25 LEU  QD1     7.50                
 23 LEU  QD2    25 LEU  QD2     8.00                
 23 LEU  QD2    30 TYR  QB      7.88                
 23 LEU  QD2    32 LEU  QB      7.88                
 23 LEU  QD2    32 LEU  HG      5.50                
 23 LEU  QD2    32 LEU  QD1     6.50                
 23 LEU  QD2    49 GLN  HA      7.00                
 23 LEU  QD2    49 GLN  QB      7.88                
 23 LEU  QD2    50 ALA  HN      7.00                
 23 LEU  QD2    50 ALA  HA      5.60                
 23 LEU  QD2    51 GLY  HN      7.00                
 23 LEU  QD2    52 GLY  HN      7.00                
 23 LEU  QD2    54 ALA  QB      5.60                
 23 LEU  QD2   116 LHEM QM3     4.10                
 24 ILE  N      52 GLY  O       3.20                
 24 ILE  HN     24 ILE  HB      3.30                
 24 ILE  HN     24 ILE  HG12    6.00                
 24 ILE  HN     24 ILE  HG13    6.00                
 24 ILE  HN     24 ILE  QG1     5.32                
 24 ILE  HN     52 GLY  O       2.20                
 24 ILE  HN     53 ASP  HA      4.60                
 24 ILE  HN     54 ALA  HN      3.90                
 24 ILE  HN     54 ALA  QB      7.00                
 24 ILE  HA     25 LEU  HB2     4.10                
 24 ILE  HA     25 LEU  HB3     6.00                
 24 ILE  HA     25 LEU  HG      5.90                
 24 ILE  HA     25 LEU  QD2     7.00                
 24 ILE  HA     29 VAL  HA      3.90                
 24 ILE  HA     29 VAL  QG1     7.00                
 24 ILE  HA     29 VAL  QG2     7.00                
 24 ILE  HA     30 TYR  HN      5.30                
 24 ILE  HA     30 TYR  QB      6.88                
 24 ILE  HA     30 TYR  QD      7.20                
 24 ILE  HA     30 TYR  QE      7.60                
 24 ILE  HB     25 LEU  HN      4.30                
 24 ILE  HB     27 TYR  HN      5.60                
 24 ILE  HB     53 ASP  HA      5.90                
 24 ILE  QG2    25 LEU  HN      4.90                
 24 ILE  QG2    25 LEU  HA      6.70                
 24 ILE  QG2    25 LEU  HB2     5.90                
 24 ILE  QG2    25 LEU  QD1     8.00                
 24 ILE  QG2    26 HIS  HA      7.00                
 24 ILE  QG2    27 TYR  HN      4.90                
 24 ILE  QG2    27 TYR  HA      4.90                
 24 ILE  QG2    27 TYR  QD      8.00                
 24 ILE  QG2    27 TYR  QE      9.00                
 24 ILE  QG2    28 LYS  HN      5.80                
 24 ILE  QG2    29 VAL  HA      6.20                
 24 ILE  QG2    29 VAL  QG1     8.00                
 24 ILE  QG2    29 VAL  QG2     8.00                
 24 ILE  QG2    29 VAL  QQG     7.60                
 24 ILE  QG2    79 LEU  HN      7.00                
 24 ILE  QG2    79 LEU  QD1     6.70                
 24 ILE  QG2    79 LEU  QD2     6.70                
 24 ILE  QG2    79 LEU  QQD     6.11                
 24 ILE  HG12   79 LEU  QD1     7.85                
 24 ILE  HG12   79 LEU  QD2     7.85                
 24 ILE  HG13   79 LEU  QD1     7.85                
 24 ILE  HG13   79 LEU  QD2     7.85                
 24 ILE  QG1    53 ASP  HN      5.68                
 24 ILE  QG1    54 ALA  HN      5.58                
 24 ILE  QG1    79 LEU  QQD     6.51                
 25 LEU  N      28 LYS  O       3.20                
 25 LEU  HN     25 LEU  HB2     4.10                
 25 LEU  HN     25 LEU  HG      5.20                
 25 LEU  HN     25 LEU  QD1     5.80                
 25 LEU  HN     25 LEU  QD2     6.20                
 25 LEU  HN     27 TYR  HN      4.50                
 25 LEU  HN     28 LYS  HN      5.50                
 25 LEU  HN     28 LYS  QB      6.50                
 25 LEU  HN     28 LYS  O       2.20                
 25 LEU  HN     29 VAL  HA      4.40                
 25 LEU  HN     29 VAL  QQG     8.56                
 25 LEU  HN     30 TYR  HN      5.80                
 25 LEU  HN     30 TYR  QD      7.00                
 25 LEU  HN     30 TYR  QE      6.80                
 25 LEU  HA     25 LEU  QD1     4.30                
 25 LEU  HA     25 LEU  QD2     5.80                
 25 LEU  HA     26 HIS  HD2     4.80                
 25 LEU  HA     30 TYR  QE      7.60                
 25 LEU  HA     54 ALA  HN      5.10                
 25 LEU  HA     55 THR  HN      4.70                
 25 LEU  HA     55 THR  HA      5.50                
 25 LEU  HA     55 THR  QG2     6.30                
 25 LEU  HB2    25 LEU  QD1     3.60                
 25 LEU  HB2    25 LEU  QD2     3.50                
 25 LEU  HB2    26 HIS  HD2     4.00                
 25 LEU  HB2    30 TYR  QD      6.40                
 25 LEU  HB2    30 TYR  QE      5.80                
 25 LEU  HB2    55 THR  QG2     5.80                
 25 LEU  HB3    25 LEU  QD2     3.50                
 25 LEU  HB3    26 HIS  HN      4.90                
 25 LEU  HB3    26 HIS  HD2     3.90                
 25 LEU  HB3    30 TYR  QD      7.50                
 25 LEU  HB3    30 TYR  QE      6.40                
 25 LEU  HB3    55 THR  HA      5.60                
 25 LEU  HB3    55 THR  QG2     5.90                
 25 LEU  HG     26 HIS  HD2     6.00                
 25 LEU  HG     30 TYR  QD      7.10                
 25 LEU  HG     30 TYR  QE      7.00                
 25 LEU  QD1    26 HIS  HN      7.00                
 25 LEU  QD1    26 HIS  HD2     7.00                
 25 LEU  QD1    30 TYR  QD      9.00                
 25 LEU  QD1    30 TYR  QE      9.00                
 25 LEU  QD1    54 ALA  HN      6.60                
 25 LEU  QD1    54 ALA  HA      7.00                
 25 LEU  QD1    54 ALA  QB      6.00                
 25 LEU  QD1    55 THR  HN      5.40                
 25 LEU  QD1    55 THR  HA      3.70                
 25 LEU  QD1    55 THR  QG2     7.30                
 25 LEU  QD1    57 ASN  HN      7.00                
 25 LEU  QD1   116 LHEM QM3     4.10                
 25 LEU  QD2    26 HIS  HD2     6.90                
 25 LEU  QD2    30 TYR  QD      8.20                
 25 LEU  QD2    30 TYR  QE      7.20                
 25 LEU  QD2    54 ALA  QB      7.90                
 25 LEU  QD2    55 THR  HA      5.70                
 25 LEU  QD2   116 LHEM HV2A    4.60                
 25 LEU  QD2   116 LHEM HV2T    4.30                
 25 LEU  QD2   116 LHEM HV2C    4.30                
 25 LEU  QD2   116 LHEM HAM     5.30                
 25 LEU  QD2   116 LHEM QM3     4.70                
 26 HIS  HN     26 HIS  HD2     6.00                
 26 HIS  HN     27 TYR  HN      4.30                
 26 HIS  HN     55 THR  HN      6.00                
 26 HIS  HN     55 THR  HA      5.20                
 26 HIS  HN     55 THR  HB      6.00                
 26 HIS  HN     55 THR  QG2     5.50                
 26 HIS  HA     27 TYR  HN      3.10                
 26 HIS  HA     27 TYR  QD      6.10                
 26 HIS  HA     28 LYS  HN      4.30                
 26 HIS  HA     55 THR  QG2     6.30                
 26 HIS  QB     27 TYR  HN      5.40                
 26 HIS  QB     27 TYR  QB      7.88                
 26 HIS  QB     27 TYR  QD      7.00                
 26 HIS  HD2    55 THR  HA      6.00                
 26 HIS  HD2    55 THR  QG2     5.30                
 26 HIS  HE1    55 THR  QG2     7.00                
 27 TYR  HN     27 TYR  QB      3.80                
 27 TYR  HN     27 TYR  QE      7.00                
 27 TYR  HN     28 LYS  HN      4.40                
 27 TYR  HN     79 LEU  HN      6.00                
 27 TYR  HA     27 TYR  QE      5.90                
 27 TYR  HA     28 LYS  QB      6.50                
 27 TYR  HA     79 LEU  HN      4.20                
 27 TYR  QB     79 LEU  HN      6.18                
 27 TYR  QB     79 LEU  QQD     9.45                
 27 TYR  QD     79 LEU  HN      7.80                
 27 TYR  QD     79 LEU  QB      7.60                
 27 TYR  QD     79 LEU  QD1     7.30                
 27 TYR  QD     79 LEU  QD2     7.30                
 27 TYR  QD     79 LEU  QQD     6.93                
 27 TYR  QD     84 ARG  HA      6.80                
 27 TYR  QD     84 ARG  QG      7.88                
 27 TYR  QE     79 LEU  QB      8.40                
 27 TYR  QE     79 LEU  QD1     7.70                
 27 TYR  QE     79 LEU  QD2     7.70                
 27 TYR  QE     79 LEU  QQD     7.44                
 27 TYR  QE     84 ARG  HA      6.10                
 27 TYR  QE     84 ARG  HB2     7.10                
 27 TYR  QE     84 ARG  HB3     7.10                
 27 TYR  QE     84 ARG  QB      6.65                
 27 TYR  QE     84 ARG  QG      7.18                
 28 LYS  HN     28 LYS  HD3     4.70                
 28 LYS  HN     30 TYR  QD      8.00                
 28 LYS  HA     28 LYS  HD2     4.20                
 28 LYS  HA     28 LYS  HD3     4.00                
 28 LYS  HA     78 GLU  HA      3.50                
 28 LYS  QB     29 VAL  HN      4.90                
 28 LYS  HG2    30 TYR  QE      6.90                
 28 LYS  HG3    30 TYR  QE      6.90                
 28 LYS  QG     29 VAL  HN      5.58                
 28 LYS  QG     30 TYR  QD      8.88                
 28 LYS  QG     30 TYR  QE      6.74                
 28 LYS  HD2    29 VAL  HN      5.20                
 28 LYS  HD2    30 TYR  QD      8.00                
 28 LYS  HD2    30 TYR  QE      7.30                
 28 LYS  HD2    75 ILE  QD1     7.00                
 28 LYS  HD3    29 VAL  HN      5.30                
 29 VAL  N      77 GLY  O       3.20                
 29 VAL  HN     29 VAL  HB      3.40                
 29 VAL  HN     30 TYR  HN      4.70                
 29 VAL  HN     30 TYR  QE      7.90                
 29 VAL  HN     75 ILE  QG1     6.88                
 29 VAL  HN     76 ILE  QD1     7.00                
 29 VAL  HN     77 GLY  HN      4.00                
 29 VAL  HN     77 GLY  O       2.20                
 29 VAL  HN     78 GLU  HN      5.90                
 29 VAL  HN     78 GLU  HA      4.40                
 29 VAL  HN     79 LEU  HN      5.40                
 29 VAL  HA     30 TYR  HN      3.50                
 29 VAL  HA     30 TYR  QD      6.40                
 29 VAL  HA     30 TYR  QE      6.80                
 29 VAL  HB     30 TYR  HN      5.20                
 29 VAL  HB     76 ILE  HN      6.00                
 29 VAL  HB     76 ILE  QD1     5.80                
 29 VAL  HB     77 GLY  HN      4.30                
 29 VAL  QG1    30 TYR  HN      6.60                
 29 VAL  QG1    76 ILE  HG12    8.75                
 29 VAL  QG1    76 ILE  HG13    8.75                
 29 VAL  QG1    76 ILE  QD1     8.00                
 29 VAL  QG1    77 GLY  HN      7.00                
 29 VAL  QG1    78 GLU  HA      7.00                
 29 VAL  QG2    30 TYR  HN      6.60                
 29 VAL  QG2    76 ILE  HG12    8.75                
 29 VAL  QG2    76 ILE  HG13    8.75                
 29 VAL  QG2    76 ILE  QD1     8.00                
 29 VAL  QG2    77 GLY  HN      7.00                
 29 VAL  QG2    78 GLU  HA      7.00                
 29 VAL  QQG    30 TYR  HN      5.51                
 29 VAL  QQG    30 TYR  QD     10.56                
 29 VAL  QQG    30 TYR  QE     10.56                
 29 VAL  QQG    76 ILE  QG1     6.90                
 29 VAL  QQG    76 ILE  QD1     6.90                
 29 VAL  QQG    78 GLU  HA      6.01                
 29 VAL  QQG    79 LEU  HN      7.86                
 29 VAL  QQG    79 LEU  HA      8.36                
 29 VAL  QQG    79 LEU  QB      9.36                
 30 TYR  HN     30 TYR  QB      3.80                
 30 TYR  HN     30 TYR  QE      7.00                
 30 TYR  HN     31 ASP  HN      4.70                
 30 TYR  HN     32 LEU  QD2     7.00                
 30 TYR  HA     31 ASP  HN      3.10                
 30 TYR  HA     32 LEU  QD2     7.00                
 30 TYR  HA     74 PHE  QB      7.00                
 30 TYR  HA     75 ILE  HA      4.10                
 30 TYR  HA     75 ILE  QG2     6.80                
 30 TYR  HA     76 ILE  HN      4.30                
 30 TYR  HA     76 ILE  QD1     7.00                
 30 TYR  QB     32 LEU  QD2     5.88                
 30 TYR  QB     75 ILE  HA      6.38                
 30 TYR  QB    116 LHEM QT2     7.12                
 30 TYR  QD     31 ASP  HN      7.00                
 30 TYR  QD     32 LEU  QD2     8.20                
 30 TYR  QD     71 SER  HA      6.70                
 30 TYR  QD     71 SER  QB      8.80                
 30 TYR  QD     74 PHE  HN      8.00                
 30 TYR  QD     74 PHE  QB      9.00                
 30 TYR  QD     74 PHE  QD     10.00                
 30 TYR  QD     75 ILE  HA      8.00                
 30 TYR  QD     75 ILE  QG2     8.70                
 30 TYR  QD     75 ILE  QG1     7.68                
 30 TYR  QD    116 LHEM HV2T    7.50                
 30 TYR  QD    116 LHEM HV2C    7.50                
 30 TYR  QD    116 LHEM QT2     6.59                
 30 TYR  QE     32 LEU  QD2     9.00                
 30 TYR  QE     71 SER  HA      6.60                
 30 TYR  QE     71 SER  QB      9.00                
 30 TYR  QE     72 LYS  QG      7.88                
 30 TYR  QE     74 PHE  QB      9.00                
 30 TYR  QE     75 ILE  HN      7.00                
 30 TYR  QE     75 ILE  HA      8.00                
 30 TYR  QE     75 ILE  HB      8.00                
 30 TYR  QE     75 ILE  QG2     8.30                
 30 TYR  QE     75 ILE  QG1     6.88                
 30 TYR  QE    116 LHEM HV2T    8.00                
 30 TYR  QE    116 LHEM HV2C    8.00                
 30 TYR  QE    116 LHEM QT2     7.41                
 31 ASP  HN     32 LEU  HN      5.40                
 31 ASP  HN     32 LEU  HG      5.10                
 31 ASP  HN     32 LEU  QD2     7.00                
 31 ASP  HN     75 ILE  HA      4.70                
 31 ASP  HN     76 ILE  HN      5.60                
 31 ASP  HN     76 ILE  QG2     5.70                
 31 ASP  HN     76 ILE  QD1     7.00                
 31 ASP  HA     32 LEU  HG      6.00                
 31 ASP  HA     32 LEU  QD1     7.00                
 31 ASP  HA     76 ILE  QG2     7.00                
 31 ASP  HA     76 ILE  QD1     7.00                
 31 ASP  HB2    32 LEU  HN      5.30                
 31 ASP  HB3    32 LEU  HN      5.30                
 31 ASP  QB     32 LEU  HA      5.18                
 31 ASP  QB     76 ILE  QG2     6.98                
 31 ASP  QB     76 ILE  QD1     7.88                
 32 LEU  HN     32 LEU  HG      5.20                
 32 LEU  HN     32 LEU  QD1     6.80                
 32 LEU  HN     33 THR  HA      4.60                
 32 LEU  HN     74 PHE  QB      6.40                
 32 LEU  HA     32 LEU  QD1     5.80                
 32 LEU  HA     34 LYS  HN      5.20                
 32 LEU  HA     35 PHE  HB2     5.30                
 32 LEU  HB2    33 THR  HN      5.70                
 32 LEU  HB2    35 PHE  HB2     5.40                
 32 LEU  HB2    35 PHE  HB3     5.00                
 32 LEU  HB3    33 THR  HN      5.70                
 32 LEU  HB3    35 PHE  HB2     5.40                
 32 LEU  HB3    35 PHE  HB3     5.00                
 32 LEU  QB     33 THR  HN      4.93                
 32 LEU  QB     35 PHE  HB2     4.67                
 32 LEU  QB     35 PHE  HB3     4.49                
 32 LEU  QB     35 PHE  QD      7.98                
 32 LEU  HG     33 THR  HN      6.00                
 32 LEU  HG     35 PHE  HB2     6.00                
 32 LEU  HG     35 PHE  HB3     4.70                
 32 LEU  HG     35 PHE  QD      8.00                
 32 LEU  QD1    35 PHE  QD      6.90                
 32 LEU  QD1    74 PHE  HZ      7.00                
 32 LEU  QD1   116 LHEM QT2     5.84                
 32 LEU  QD2    33 THR  HN      7.00                
 32 LEU  QD2    35 PHE  HB2     5.00                
 32 LEU  QD2    35 PHE  HB3     5.00                
 32 LEU  QD2    35 PHE  QD      6.80                
 32 LEU  QD2    74 PHE  QB      8.00                
 32 LEU  QD2    74 PHE  QD      9.00                
 32 LEU  QD2    74 PHE  HZ      5.10                
 32 LEU  QD2   116 LHEM QM1     6.40                
 32 LEU  QD2   116 LHEM HV2A    4.40                
 32 LEU  QD2   116 LHEM HV2T    5.10                
 32 LEU  QD2   116 LHEM HV2C    5.10                
 32 LEU  QD2   116 LHEM QT2     4.53                
 33 THR  HN     33 THR  QG2     4.80                
 33 THR  HN     34 LYS  HN      4.20                
 33 THR  HN     35 PHE  HN      6.00                
 33 THR  HA     33 THR  QG2     3.50                
 33 THR  HA     35 PHE  HN      5.00                
 33 THR  HA     36 LEU  HN      4.60                
 33 THR  HA     36 LEU  HB2     5.20                
 33 THR  HA     36 LEU  HB3     4.50                
 33 THR  HA     36 LEU  HG      4.20                
 33 THR  HA     36 LEU  QD1     5.40                
 33 THR  HA     36 LEU  QD2     5.40                
 33 THR  HA     37 GLU  HN      6.00                
 33 THR  HB     34 LYS  HN      4.10                
 33 THR  HB     34 LYS  HA      5.10                
 33 THR  QG2    34 LYS  HN      7.00                
 33 THR  QG2    34 LYS  HA      7.00                
 33 THR  QG2    36 LEU  HG      7.00                
 33 THR  QG2    36 LEU  QQD     7.67                
 34 LYS  HN     34 LYS  QB      3.72                
 34 LYS  HN     34 LYS  HG2     4.70                
 34 LYS  HN     34 LYS  HG3     4.70                
 34 LYS  HN     34 LYS  QG      4.47                
 34 LYS  HN     34 LYS  QD      6.20                
 34 LYS  HN     35 PHE  HN      3.70                
 34 LYS  HN     35 PHE  HB3     5.20                
 34 LYS  HN     36 LEU  HN      6.00                
 34 LYS  HA     34 LYS  QD      5.60                
 34 LYS  HA     34 LYS  QE      7.00                
 34 LYS  HA     36 LEU  HN      5.60                
 34 LYS  HA     36 LEU  HB2     6.00                
 34 LYS  HA     37 GLU  HN      5.10                
 34 LYS  HA     37 GLU  HB2     5.90                
 34 LYS  HA     38 GLU  HN      5.90                
 34 LYS  HB2    34 LYS  QE      7.00                
 34 LYS  HB3    34 LYS  QE      7.00                
 34 LYS  QB     34 LYS  QE      6.46                
 34 LYS  QB     35 PHE  HN      6.08                
 34 LYS  QG     35 PHE  HN      6.48                
 34 LYS  QD     35 PHE  HN      6.90                
 35 PHE  HN     35 PHE  HB2     3.00                
 35 PHE  HN     35 PHE  HB3     2.90                
 35 PHE  HN     36 LEU  HN      3.20                
 35 PHE  HN     36 LEU  HB2     5.10                
 35 PHE  HN     36 LEU  HB3     5.70                
 35 PHE  HN     36 LEU  HG      4.00                
 35 PHE  HN     36 LEU  QD1     7.00                
 35 PHE  HN     36 LEU  QD2     7.00                
 35 PHE  HN     37 GLU  HN      5.30                
 35 PHE  HN     74 PHE  QD      8.00                
 35 PHE  HA     37 GLU  HN      5.70                
 35 PHE  HA     37 GLU  HB3     5.60                
 35 PHE  HA     38 GLU  HN      4.80                
 35 PHE  HA     38 GLU  HB2     5.90                
 35 PHE  HA     38 GLU  HB3     5.90                
 35 PHE  HA     38 GLU  QB      5.31                
 35 PHE  HA     38 GLU  QG      6.18                
 35 PHE  HA     39 HIS  HN      6.00                
 35 PHE  HA     74 PHE  QE      7.90                
 35 PHE  HB2    36 LEU  HN      4.50                
 35 PHE  HB2    74 PHE  QD      6.40                
 35 PHE  HB2    74 PHE  QE      6.70                
 35 PHE  HB2    74 PHE  HZ      5.50                
 35 PHE  HB3    36 LEU  HN      2.90                
 35 PHE  HB3    39 HIS  QB      4.98                
 35 PHE  HB3    74 PHE  QD      8.00                
 35 PHE  HB3    74 PHE  QE      7.20                
 35 PHE  HB3    74 PHE  HZ      6.00                
 35 PHE  QD     38 GLU  HB2     7.30                
 35 PHE  QD     38 GLU  HB3     7.30                
 35 PHE  QD     38 GLU  QB      6.81                
 35 PHE  QD     38 GLU  QG      9.00                
 35 PHE  QD     74 PHE  QD     10.00                
 35 PHE  QD     74 PHE  QE      9.10                
 35 PHE  QD     74 PHE  HZ      7.30                
 35 PHE  QE     39 HIS  HN      6.90                
 35 PHE  HZ     38 GLU  QB      6.78                
 36 LEU  HN     36 LEU  HB2     2.70                
 36 LEU  HN     36 LEU  HB3     3.60                
 36 LEU  HN     36 LEU  HG      3.90                
 36 LEU  HN     36 LEU  QD1     4.50                
 36 LEU  HN     36 LEU  QD2     4.50                
 36 LEU  HN     37 GLU  HN      4.00                
 36 LEU  HN     37 GLU  QG      7.00                
 36 LEU  HN     38 GLU  HN      6.00                
 36 LEU  HA     36 LEU  QD1     6.20                
 36 LEU  HA     36 LEU  QD2     6.20                
 36 LEU  HA     39 HIS  HN      4.80                
 36 LEU  HB2    37 GLU  HN      2.70                
 36 LEU  HB2    43 GLU  HA      5.70                
 36 LEU  HB2    43 GLU  QB      6.68                
 36 LEU  HB3    36 LEU  QD1     3.50                
 36 LEU  HB3    36 LEU  QD2     3.50                
 36 LEU  HB3    37 GLU  HN      3.60                
 36 LEU  HB3    43 GLU  HA      6.00                
 36 LEU  HB3    43 GLU  QB      4.58                
 36 LEU  HG     37 GLU  HN      4.80                
 36 LEU  QD1    37 GLU  HN      6.70                
 36 LEU  QD1    43 GLU  HA      6.80                
 36 LEU  QD1    43 GLU  HB2     7.55                
 36 LEU  QD1    43 GLU  HB3     7.55                
 36 LEU  QD1    47 ARG  HA      7.00                
 36 LEU  QD1    47 ARG  HB2     7.75                
 36 LEU  QD1    47 ARG  HB3     7.75                
 36 LEU  QD1    47 ARG  QD      8.00                
 36 LEU  QD2    37 GLU  HN      6.70                
 36 LEU  QD2    43 GLU  HA      6.80                
 36 LEU  QD2    43 GLU  HB2     7.55                
 36 LEU  QD2    43 GLU  HB3     7.55                
 36 LEU  QD2    47 ARG  HA      7.00                
 36 LEU  QD2    47 ARG  HB2     7.75                
 36 LEU  QD2    47 ARG  HB3     7.75                
 36 LEU  QD2    47 ARG  QD      8.00                
 36 LEU  QQD    37 GLU  HN      6.36                
 36 LEU  QQD    43 GLU  HA      6.22                
 36 LEU  QQD    43 GLU  QB      6.09                
 36 LEU  QQD    46 LEU  QB      9.17                
 36 LEU  QQD    47 ARG  HN      8.57                
 36 LEU  QQD    47 ARG  HA      6.57                
 36 LEU  QQD    47 ARG  QB      6.59                
 36 LEU  QQD    47 ARG  QG      9.57                
 37 GLU  HN     37 GLU  HB2     3.30                
 37 GLU  HN     37 GLU  HB3     3.20                
 37 GLU  HN     37 GLU  QG      5.80                
 37 GLU  HN     38 GLU  HN      3.10                
 37 GLU  HN     38 GLU  QG      7.00                
 37 GLU  HN     39 HIS  HN      6.00                
 37 GLU  HB2    38 GLU  HN      3.60                
 38 GLU  HN     38 GLU  HB2     3.30                
 38 GLU  HN     38 GLU  HB3     3.30                
 38 GLU  HN     38 GLU  QG      6.20                
 38 GLU  HN     39 HIS  HN      3.60                
 38 GLU  HB2    39 HIS  HN      4.90                
 38 GLU  HB3    39 HIS  HN      4.90                
 38 GLU  QB     39 HIS  HN      4.53                
 39 HIS  HA     39 HIS  QB      2.64                
 39 HIS  HA     40 PRO  QG      5.61                
 39 HIS  HD1    45 VAL  QQG     6.56                
 39 HIS  HD1    46 LEU  QQD     6.57                
 39 HIS  NE2   116 LHEM FE      2.12  3.00E+00                 
 40 PRO  QB    116 LHEM QAP7    5.05                
 40 PRO  QB    116 LHEM HGM     5.18                
 40 PRO  QG    116 LHEM QM8     6.98                
 40 PRO  QD    116 LHEM HGM     5.08                
 41 GLY  HA1   116 LHEM HBM     4.80                
 41 GLY  HA2   116 LHEM HBM     4.80                
 42 GLY  HN     42 GLY  HA1     2.70                
 42 GLY  HA1    43 GLU  HN      3.50                
 42 GLY  HA1    43 GLU  HB2     4.90                
 42 GLY  HA1    43 GLU  HB3     4.90                
 42 GLY  HA1    43 GLU  QB      4.62                
 42 GLY  HA1    44 GLU  HN      5.20                
 43 GLU  HN     43 GLU  HB2     3.10                
 43 GLU  HN     43 GLU  HB3     3.10                
 43 GLU  HN     43 GLU  QB      2.87                
 43 GLU  HN     44 GLU  HN      4.00                
 43 GLU  HA     46 LEU  HN      5.30                
 43 GLU  HA     46 LEU  HG      5.30                
 43 GLU  HA     47 ARG  HN      5.90                
 43 GLU  HB2    44 GLU  HN      4.50                
 43 GLU  HB3    44 GLU  HN      4.50                
 43 GLU  QB     44 GLU  HN      4.12                
 43 GLU  QB     44 GLU  HA      5.48                
 44 GLU  HN     44 GLU  HB2     3.20                
 44 GLU  HN     44 GLU  HB3     3.20                
 44 GLU  HN     44 GLU  QG      5.90                
 44 GLU  HN     45 VAL  HN      4.00                
 44 GLU  HA     46 LEU  HN      5.50                
 44 GLU  HA     47 ARG  HN      3.70                
 44 GLU  HA     47 ARG  QB      4.38                
 44 GLU  HA     47 ARG  QG      5.80                
 44 GLU  HA     47 ARG  QD      6.20                
 44 GLU  HA     48 GLU  HN      5.40                
 44 GLU  HB2    45 VAL  HN      4.20                
 44 GLU  HB3    45 VAL  HN      4.20                
 44 GLU  QB     45 VAL  HN      3.34                
 45 VAL  HN     45 VAL  HA      2.90                
 45 VAL  HN     46 LEU  HN      3.10                
 45 VAL  HN     47 ARG  HN      5.70                
 45 VAL  HA     45 VAL  HB      2.90                
 45 VAL  HA     47 ARG  HN      5.40                
 45 VAL  HA     48 GLU  HN      4.00                
 45 VAL  HA     48 GLU  HB2     3.80                
 45 VAL  HA     48 GLU  HB3     3.80                
 45 VAL  HA     48 GLU  QG      5.38                
 45 VAL  QG1   116 LHEM QM5     6.40                
 45 VAL  QG2   116 LHEM QM5     6.40                
 45 VAL  QQG    46 LEU  HN      8.06                
 45 VAL  QQG   116 LHEM QM5     5.35                
 46 LEU  HN     46 LEU  QB      3.34                
 46 LEU  HN     46 LEU  HG      4.90                
 46 LEU  HN     47 ARG  HN      3.50                
 46 LEU  HN     47 ARG  HA      5.10                
 46 LEU  HN     47 ARG  QB      6.18                
 46 LEU  HN     48 GLU  HN      4.50                
 46 LEU  QB     47 ARG  HN      5.50                
 46 LEU  HG     47 ARG  HN      5.30                
 46 LEU  QQD    47 ARG  HN      7.87                
 46 LEU  QQD   116 LHEM QM3     8.27                
 47 ARG  HN     47 ARG  HA      2.90                
 47 ARG  HN     47 ARG  HB2     3.40                
 47 ARG  HN     47 ARG  HB3     3.40                
 47 ARG  HN     47 ARG  QB      3.08                
 47 ARG  HN     47 ARG  QG      6.10                
 47 ARG  HN     47 ARG  QD      6.70                
 47 ARG  HN     48 GLU  HN      3.40                
 47 ARG  HN     48 GLU  HB3     4.30                
 47 ARG  HN     49 GLN  HN      5.10                
 47 ARG  HN     50 ALA  HN      5.10                
 47 ARG  HN     50 ALA  QB      6.40                
 47 ARG  HA     47 ARG  QD      6.40                
 47 ARG  HA     49 GLN  HN      4.60                
 47 ARG  HA     50 ALA  HN      3.70                
 47 ARG  HA     50 ALA  QB      3.50                
 47 ARG  HB2    48 GLU  HN      3.80                
 47 ARG  HB3    48 GLU  HN      3.80                
 47 ARG  QB     48 GLU  HN      3.55                
 47 ARG  QB     49 GLN  HN      6.58                
 47 ARG  QG     48 GLU  HN      6.70                
 48 GLU  HN     48 GLU  HB3     3.20                
 48 GLU  HN     48 GLU  HG2     5.30                
 48 GLU  HN     48 GLU  HG3     5.30                
 48 GLU  HN     48 GLU  QG      4.84                
 48 GLU  HN     49 GLN  HN      3.30                
 48 GLU  HN     50 ALA  HN      4.30                
 48 GLU  HN     50 ALA  QB      6.20                
 48 GLU  HA     48 GLU  HB2     3.00                
 48 GLU  HA     48 GLU  HB3     3.00                
 48 GLU  HA     48 GLU  QG      3.95                
 48 GLU  HA     50 ALA  HN      4.90                
 48 GLU  HB2    49 GLN  HN      5.20                
 48 GLU  HB3    49 GLN  HN      3.60                
 48 GLU  HB3    49 GLN  QG      6.88                
 48 GLU  HB3    50 ALA  HN      4.70                
 49 GLN  HN     49 GLN  HB2     4.20                
 49 GLN  HN     49 GLN  HB3     4.20                
 49 GLN  HN     49 GLN  HG2     5.90                
 49 GLN  HN     49 GLN  HG3     5.90                
 49 GLN  HN     49 GLN  QG      5.35                
 49 GLN  HN     49 GLN  QE2     5.80                
 49 GLN  HN     50 ALA  HN      2.50                
 49 GLN  HN     50 ALA  HA      5.00                
 49 GLN  HN     50 ALA  QB      5.10                
 49 GLN  HN     54 ALA  QB      7.00                
 49 GLN  HA     54 ALA  QB      7.00                
 49 GLN  HB2    50 ALA  HN      5.20                
 49 GLN  HB3    50 ALA  HN      5.20                
 49 GLN  QB     50 ALA  HN      4.47                
 49 GLN  QB     54 ALA  QB      5.98                
 49 GLN  HG2    50 ALA  HN      5.20                
 49 GLN  HG3    50 ALA  HN      5.20                
 49 GLN  QG     54 ALA  QB      5.68                
 49 GLN  QG     57 ASN  QB      6.35                
 50 ALA  HN     50 ALA  QB      3.50                
 50 ALA  HN     51 GLY  HN      5.30                
 50 ALA  HA     51 GLY  HN      2.90                
 50 ALA  HA     52 GLY  HN      4.40                
 50 ALA  QB     51 GLY  HN      3.90                
 50 ALA  QB     52 GLY  HN      5.20                
 51 GLY  HN     52 GLY  HN      3.50                
 51 GLY  QA     53 ASP  HN      6.88                
 52 GLY  HN     53 ASP  HN      4.00                
 52 GLY  HA2    53 ASP  HN      3.10                
 53 ASP  HN     53 ASP  QB      3.54                
 54 ALA  HN     54 ALA  QB      3.50                
 54 ALA  HN     55 THR  HN      4.00                
 54 ALA  HN     55 THR  HA      4.80                
 54 ALA  HN     55 THR  HB      5.50                
 54 ALA  HN     55 THR  QG2     6.20                
 54 ALA  HA     55 THR  HA      5.10                
 54 ALA  HA     56 GLU  HN      4.50                
 54 ALA  HA     57 ASN  HN      4.40                
 54 ALA  HA     57 ASN  QB      4.08                
 54 ALA  HA     57 ASN  HD21    4.70                
 54 ALA  QB     55 THR  HN      4.40                
 54 ALA  QB     55 THR  HA      5.80                
 54 ALA  QB     57 ASN  HN      5.90                
 54 ALA  QB    116 LHEM QM3     5.30                
 55 THR  HN     55 THR  HB      3.30                
 55 THR  HN     55 THR  QG2     4.80                
 55 THR  HN     56 GLU  HN      3.80                
 55 THR  HN     57 ASN  HN      4.40                
 55 THR  HA     55 THR  QG2     3.50                
 55 THR  HA     57 ASN  HN      5.80                
 55 THR  HA     58 PHE  HN      4.80                
 55 THR  HA     59 GLU  HN      5.40                
 55 THR  HB     56 GLU  HN      3.00                
 55 THR  HB     56 GLU  HA      4.60                
 55 THR  HB     57 ASN  HN      5.30                
 55 THR  QG2    56 GLU  HN      5.60                
 55 THR  QG2    56 GLU  HA      6.70                
 55 THR  QG2    57 ASN  HN      7.00                
 55 THR  QG2    59 GLU  HB2     7.00                
 55 THR  QG2    59 GLU  HB3     7.00                
 55 THR  QG2    59 GLU  HG2     6.20                
 55 THR  O      59 GLU  N       3.20                
 55 THR  O      59 GLU  HN      2.20                
 56 GLU  HN     56 GLU  HB2     3.50                
 56 GLU  HN     56 GLU  HB3     3.50                
 56 GLU  HN     56 GLU  QB      3.09                
 56 GLU  HN     56 GLU  QG      6.30                
 56 GLU  HN     57 ASN  HN      3.30                
 56 GLU  HN     60 ASP  QB      6.88                
 56 GLU  HA     58 PHE  HN      5.80                
 56 GLU  HA     59 GLU  HN      5.30                
 56 GLU  HA     59 GLU  HA      5.80                
 56 GLU  HA     59 GLU  HB2     4.50                
 56 GLU  HA     59 GLU  HB3     4.50                
 56 GLU  HA     59 GLU  QB      4.17                
 56 GLU  HA     60 ASP  HN      4.80                
 56 GLU  HB2    57 ASN  HN      4.50                
 56 GLU  HB3    57 ASN  HN      4.50                
 56 GLU  QB     57 ASN  HN      3.93                
 56 GLU  O      60 ASP  N       3.20                
 56 GLU  O      60 ASP  HN      2.20                
 57 ASN  HN     57 ASN  QB      3.91                
 57 ASN  HN     57 ASN  HD21    4.90                
 57 ASN  HN     57 ASN  HD22    6.00                
 57 ASN  HN     58 PHE  HN      3.20                
 57 ASN  HN     59 GLU  HN      6.00                
 57 ASN  HN     60 ASP  QB      6.18                
 57 ASN  HA     57 ASN  HD21    5.50                
 57 ASN  HA     59 GLU  HN      6.00                
 57 ASN  HA     60 ASP  HN      4.30                
 57 ASN  HA     60 ASP  QB      5.68                
 57 ASN  HB2    58 PHE  HN      4.80                
 57 ASN  HB3    58 PHE  HN      4.80                
 57 ASN  QB     58 PHE  HN      4.47                
 57 ASN  QB     58 PHE  QD      8.88                
 57 ASN  O      61 HIS  N       3.20                
 57 ASN  O      61 HIS  HN      2.20                
 58 PHE  HN     59 GLU  HN      3.70                
 58 PHE  HN     60 ASP  HN      4.80                
 58 PHE  HN     61 HIS  QB      7.00                
 58 PHE  HZ     68 ARG  HB2     4.80                
 59 GLU  HN     59 GLU  HG2     6.00                
 59 GLU  HN     60 ASP  HA      5.30                
 59 GLU  HN     60 ASP  QB      5.98                
 59 GLU  HN     61 HIS  HN      5.10                
 59 GLU  HA     62 GLY  HN      6.00                
 59 GLU  HB2    60 ASP  HN      3.70                
 59 GLU  HB3    60 ASP  HN      3.70                
 59 GLU  QB     60 ASP  HN      3.44                
 59 GLU  QB     61 HIS  HN      6.48                
 59 GLU  HG2    60 ASP  HN      4.50                
 59 GLU  HG3    60 ASP  HN      5.00                
 60 ASP  HN     61 HIS  HN      3.80                
 60 ASP  HA     62 GLY  HN      4.90                
 60 ASP  HB2    61 HIS  HN      4.90                
 60 ASP  HB3    61 HIS  HN      4.90                
 61 HIS  HN     61 HIS  HD1     4.90                
 61 HIS  HN     62 GLY  HN      3.20                
 61 HIS  HA     61 HIS  HD2     4.70                
 61 HIS  HA    116 LHEM QBP6    6.88                
 62 GLY  HN     63 HIS  HN      5.40                
 63 HIS  NE2   116 LHEM FE      2.12  3.00E+00                 
 63 HIS  HD2   116 LHEM HDM     4.00                
 63 HIS  HE1   116 LHEM QM3     5.00                
 64 SER  HN     64 SER  HB2     3.70                
 64 SER  HN     64 SER  HB3     3.70                
 64 SER  HN     64 SER  QB      3.30                
 64 SER  HN     65 THR  HN      6.00                
 64 SER  HN     67 ALA  HN      6.00                
 64 SER  HN     67 ALA  QB      6.40                
 64 SER  HA     65 THR  HA      4.70                
 64 SER  HB2    67 ALA  HN      6.00                
 64 SER  HB3    67 ALA  HN      6.00                
 65 THR  HN     66 ASP  HN      4.60                
 65 THR  HN     67 ALA  HN      5.40                
 65 THR  HA     65 THR  HB      2.80                
 65 THR  HA     67 ALA  HN      4.70                
 65 THR  HA     68 ARG  HB2     3.10                
 65 THR  HA     68 ARG  HB3     3.10                
 65 THR  HA     68 ARG  HG2     4.80                
 65 THR  HA     68 ARG  HG3     5.40                
 65 THR  HA     68 ARG  HD2     4.40                
 65 THR  HA     68 ARG  HD3     4.10                
 65 THR  HA     69 GLU  HN      4.70                
 65 THR  HB     66 ASP  HN      4.00                
 65 THR  HB     69 GLU  HN      5.30                
 66 ASP  HN     66 ASP  HB2     3.30                
 66 ASP  HN     67 ALA  HN      4.80                
 66 ASP  HN     68 ARG  HN      5.90                
 66 ASP  HA     69 GLU  HN      5.10                
 66 ASP  HA     69 GLU  HB2     3.70                
 66 ASP  HA     69 GLU  HB3     3.70                
 66 ASP  HA     70 LEU  HN      6.00                
 66 ASP  HB2    67 ALA  HN      3.80                
 66 ASP  HB2    67 ALA  HA      4.60                
 66 ASP  HB3    67 ALA  HN      4.00                
 67 ALA  HN     67 ALA  QB      3.50                
 67 ALA  HN     68 ARG  HN      4.40                
 67 ALA  HN     68 ARG  HB2     4.10                
 67 ALA  HN     70 LEU  HN      5.30                
 67 ALA  HN     70 LEU  HB2     4.70                
 67 ALA  HN     70 LEU  HB3     6.00                
 67 ALA  HA     69 GLU  HN      5.20                
 67 ALA  HA     70 LEU  HN      3.90                
 67 ALA  HA     70 LEU  HB2     3.60                
 67 ALA  HA     70 LEU  HB3     4.30                
 67 ALA  HA     70 LEU  QD2     7.00                
 67 ALA  HA     71 SER  HN      4.50                
 67 ALA  HA    116 LHEM QM8     4.30                
 67 ALA  HA    116 LHEM QM1     6.60                
 67 ALA  QB    116 LHEM QM8     6.30                
 67 ALA  O      71 SER  N       3.20                
 67 ALA  O      71 SER  HN      2.20                
 68 ARG  HN     68 ARG  HB2     2.50                
 68 ARG  HN     68 ARG  HB3     3.50                
 68 ARG  HN     68 ARG  HG2     6.00                
 68 ARG  HN     68 ARG  HG3     5.90                
 68 ARG  HN     68 ARG  HD2     4.90                
 68 ARG  HN     68 ARG  HD3     6.00                
 68 ARG  HN     69 GLU  HN      4.20                
 68 ARG  HN     70 LEU  HN      6.00                
 68 ARG  HA     68 ARG  HD3     5.50                
 68 ARG  HA     70 LEU  HN      6.00                
 68 ARG  HA     71 SER  HN      5.90                
 68 ARG  HA     71 SER  QB      7.00                
 68 ARG  HB2    69 GLU  HN      4.30                
 68 ARG  HB3    69 GLU  HN      4.50                
 68 ARG  HG3    69 GLU  HN      5.90                
 68 ARG  O      72 LYS  N       3.20                
 68 ARG  O      72 LYS  HN      2.20                
 69 GLU  HN     69 GLU  HB2     3.60                
 69 GLU  HN     69 GLU  HB3     3.60                
 69 GLU  HN     69 GLU  QB      3.24                
 69 GLU  HN     69 GLU  HG2     5.70                
 69 GLU  HN     69 GLU  HG3     5.70                
 69 GLU  HN     69 GLU  QG      5.48                
 69 GLU  HN     70 LEU  HN      3.80                
 69 GLU  HN     71 SER  HN      5.70                
 69 GLU  HA     69 GLU  HG2     4.10                
 69 GLU  HA     69 GLU  HG3     4.10                
 69 GLU  HA     69 GLU  QG      3.81                
 69 GLU  HA     71 SER  HN      4.50                
 69 GLU  HA     72 LYS  HN      4.60                
 69 GLU  HA     72 LYS  QB      4.80                
 69 GLU  HB2    70 LEU  HN      3.50                
 69 GLU  HB3    70 LEU  HN      3.50                
 69 GLU  QG     70 LEU  HN      5.58                
 69 GLU  O      73 THR  N       3.20                
 69 GLU  O      73 THR  HN      2.20                
 70 LEU  HN     70 LEU  HB2     2.90                
 70 LEU  HN     70 LEU  HB3     3.70                
 70 LEU  HN     70 LEU  HG      6.00                
 70 LEU  HN     70 LEU  QD1     5.20                
 70 LEU  HN     70 LEU  QD2     4.80                
 70 LEU  HN     71 SER  HN      4.30                
 70 LEU  HN     72 LYS  HN      4.90                
 70 LEU  HA     70 LEU  QD1     3.90                
 70 LEU  HA     70 LEU  QD2     4.10                
 70 LEU  HA     72 LYS  HN      5.00                
 70 LEU  HA     73 THR  HN      5.00                
 70 LEU  HA     73 THR  HB      4.10                
 70 LEU  HB2    70 LEU  QD2     3.60                
 70 LEU  HB2    71 SER  HN      3.50                
 70 LEU  HB2    74 PHE  QD      7.50                
 70 LEU  HB2    74 PHE  HZ      4.50                
 70 LEU  HB2   116 LHEM QM1     4.90                
 70 LEU  HB2   116 LHEM QT2     5.94                
 70 LEU  HB3    70 LEU  QD1     3.70                
 70 LEU  HB3    70 LEU  QD2     3.70                
 70 LEU  HG     71 SER  HN      5.80                
 70 LEU  HG     74 PHE  QD      8.00                
 70 LEU  HG     74 PHE  QE      8.00                
 70 LEU  HG     74 PHE  HZ      6.00                
 70 LEU  HG    116 LHEM QM1     5.40                
 70 LEU  QD1    71 SER  HN      6.40                
 70 LEU  QD1    71 SER  HA      6.00                
 70 LEU  QD1    72 LYS  HN      6.30                
 70 LEU  QD1    73 THR  HN      6.20                
 70 LEU  QD1    74 PHE  QD      9.00                
 70 LEU  QD1    74 PHE  QE      8.90                
 70 LEU  QD1    74 PHE  HZ      5.80                
 70 LEU  QD2    71 SER  HN      7.00                
 70 LEU  QD2    73 THR  QG2     6.30                
 70 LEU  QD2    74 PHE  QD      8.90                
 70 LEU  QD2    74 PHE  QE      9.00                
 70 LEU  QD2   116 LHEM QM1     5.20                
 71 SER  HN     72 LYS  HN      3.70                
 71 SER  HN     72 LYS  QG      4.98                
 71 SER  HN    116 LHEM QM1     7.00                
 71 SER  HA     73 THR  HN      5.40                
 71 SER  HA     74 PHE  HN      4.70                
 71 SER  HA     74 PHE  QB      5.40                
 71 SER  HA     74 PHE  QE      7.10                
 71 SER  HA     75 ILE  HN      4.40                
 71 SER  HA    116 LHEM QM1     6.20                
 71 SER  QB    116 LHEM QM1     6.80                
 71 SER  QB    116 LHEM HV2T    7.00                
 71 SER  QB    116 LHEM HV2C    7.00                
 71 SER  QB    116 LHEM QT2     6.55                
 72 LYS  HN     72 LYS  HG2     4.20                
 72 LYS  HN     72 LYS  HG3     4.20                
 72 LYS  HN     72 LYS  QG      3.81                
 72 LYS  HN     73 THR  HN      3.70                
 72 LYS  HA     72 LYS  HG2     4.00                
 72 LYS  HA     72 LYS  HG3     4.00                
 72 LYS  HA     72 LYS  QG      3.80                
 72 LYS  HA     74 PHE  HN      4.60                
 72 LYS  HA     75 ILE  HN      4.70                
 72 LYS  HA     75 ILE  HA      5.50                
 72 LYS  HA     75 ILE  HB      3.70                
 72 LYS  HA     75 ILE  QG2     7.00                
 72 LYS  HA     75 ILE  QG1     6.88                
 72 LYS  HA     75 ILE  QD1     7.00                
 72 LYS  QB     73 THR  HN      5.40                
 72 LYS  QB     74 PHE  HN      6.90                
 72 LYS  QG     73 THR  HN      5.48                
 73 THR  HN     73 THR  HB      3.10                
 73 THR  HN     73 THR  QG2     3.70                
 73 THR  HN     74 PHE  QB      7.00                
 73 THR  HN     74 PHE  QD      8.00                
 73 THR  HN     74 PHE  QE      7.10                
 73 THR  HN     75 ILE  HN      4.10                
 73 THR  HA     75 ILE  HN      5.20                
 73 THR  HB     74 PHE  HN      4.30                
 73 THR  HB     74 PHE  QD      8.00                
 73 THR  QG2    74 PHE  HN      7.00                
 73 THR  QG2    74 PHE  QD      9.00                
 73 THR  QG2    74 PHE  QE      9.00                
 73 THR  QG2    74 PHE  HZ      6.80                
 74 PHE  HN     75 ILE  HN      3.80                
 74 PHE  HN     75 ILE  HA      5.20                
 74 PHE  HN     75 ILE  HB      5.40                
 74 PHE  HN     75 ILE  QG1     6.88                
 74 PHE  QB    116 LHEM QM1     8.00                
 74 PHE  QB    116 LHEM HV2T    6.10                
 74 PHE  QB    116 LHEM HV2C    6.10                
 74 PHE  QB    116 LHEM QT2     5.88                
 74 PHE  QD    116 LHEM QM1     7.60                
 74 PHE  QD    116 LHEM QT2     8.64                
 74 PHE  QE    116 LHEM QM1     8.50                
 74 PHE  QE    116 LHEM HV2A    6.50                
 74 PHE  QE    116 LHEM QT2     7.24                
 75 ILE  HN     75 ILE  HB      3.20                
 75 ILE  HN     75 ILE  HG12    5.70                
 75 ILE  HN     75 ILE  HG13    5.70                
 75 ILE  HN     75 ILE  QG1     5.10                
 75 ILE  HN     75 ILE  QD1     4.90                
 75 ILE  HA     76 ILE  HN      3.00                
 75 ILE  HA     76 ILE  HA      5.40                
 75 ILE  HA     76 ILE  QG2     6.50                
 75 ILE  HA     76 ILE  HG12    6.00                
 75 ILE  HA     76 ILE  HG13    6.00                
 75 ILE  HA     76 ILE  QG1     5.59                
 75 ILE  HA     76 ILE  QD1     7.00                
 75 ILE  HA     77 GLY  HN      4.70                
 75 ILE  QG2    76 ILE  HN      6.60                
 75 ILE  QG2    77 GLY  HN      4.90                
 75 ILE  QG1    77 GLY  HN      6.28                
 76 ILE  HN     76 ILE  QG2     4.90                
 76 ILE  HN     76 ILE  HG12    5.50                
 76 ILE  HN     76 ILE  HG13    5.50                
 76 ILE  HN     76 ILE  QG1     4.81                
 76 ILE  HN     76 ILE  QD1     5.60                
 76 ILE  HN     77 GLY  HN      3.20                
 76 ILE  HA     76 ILE  HB      2.80                
 76 ILE  HA     76 ILE  QG2     3.50                
 76 ILE  HB     76 ILE  QD1     3.50                
 76 ILE  HB     77 GLY  HN      4.70                
 76 ILE  QG2    76 ILE  QD1     4.50                
 76 ILE  QG2    77 GLY  HN      5.70                
 76 ILE  HG12   77 GLY  HN      5.20                
 76 ILE  HG13   77 GLY  HN      5.20                
 76 ILE  QG1    77 GLY  HN      5.03                
 76 ILE  QD1    77 GLY  HN      7.00                
 77 GLY  HA1    78 GLU  HN      3.10                
 77 GLY  HA2    78 GLU  HN      3.20                
 78 GLU  HA     79 LEU  HN      3.40                
 78 GLU  HB2    79 LEU  HN      4.00                
 78 GLU  HB3    79 LEU  HN      4.00                
 78 GLU  QB     79 LEU  HN      3.65                
 78 GLU  QB     80 HIS  HA      5.38                
 78 GLU  QB     80 HIS  HD2     6.28                
 79 LEU  HN     79 LEU  QD1     6.50                
 79 LEU  HN     79 LEU  QD2     6.50                
 79 LEU  HN     79 LEU  QQD     5.41                
 79 LEU  HN     80 HIS  HN      5.20                
 79 LEU  HA     79 LEU  QD1     4.90                
 79 LEU  HA     79 LEU  QD2     4.90                
 79 LEU  HA     79 LEU  QQD     4.00                
 79 LEU  HA     80 HIS  HN      3.30                
 79 LEU  HA     80 HIS  HB2     6.00                
 79 LEU  HA     80 HIS  HB3     6.00                
 79 LEU  HA     80 HIS  QB      5.32                
 79 LEU  QB     80 HIS  HN      5.90                
 79 LEU  HG     80 HIS  HN      6.00                
 79 LEU  HG     84 ARG  HN      6.00                
 79 LEU  QD1    80 HIS  HN      6.30                
 79 LEU  QD1    83 ASP  HN      5.90                
 79 LEU  QD1    83 ASP  HB2     5.40                
 79 LEU  QD1    83 ASP  HB3     5.40                
 79 LEU  QD1    84 ARG  HG2     7.05                
 79 LEU  QD1    84 ARG  HG3     7.05                
 79 LEU  QD2    80 HIS  HN      6.30                
 79 LEU  QD2    83 ASP  HN      5.90                
 79 LEU  QD2    83 ASP  HB2     5.40                
 79 LEU  QD2    83 ASP  HB3     5.40                
 79 LEU  QD2    84 ARG  HG2     7.05                
 79 LEU  QD2    84 ARG  HG3     7.05                
 79 LEU  QQD    80 HIS  HN      5.56                
 79 LEU  QQD    83 ASP  HN      5.48                
 79 LEU  QQD    83 ASP  QB      4.78                
 79 LEU  QQD    84 ARG  HA      7.57                
 79 LEU  QQD    84 ARG  QG      5.83                
 80 HIS  HN     80 HIS  HB2     3.60                
 80 HIS  HN     80 HIS  HB3     3.60                
 80 HIS  HN     80 HIS  QB      3.29                
 80 HIS  HN     80 HIS  HD2     4.80                
 80 HIS  HA     80 HIS  HD2     4.20                
 80 HIS  HA     81 PRO  QG      5.60                
 80 HIS  HA     82 ASP  HN      4.90                
 80 HIS  HA     83 ASP  QB      6.08                
 80 HIS  HB2    82 ASP  HN      4.90                
 80 HIS  HB3    82 ASP  HN      4.90                
 80 HIS  QB     82 ASP  HN      4.72                
 80 HIS  QB     83 ASP  HN      5.98                
 80 HIS  HE1    81 PRO  QB      6.88                
 80 HIS  HE1    81 PRO  QG      5.70                
 80 HIS  HE1    82 ASP  HN      4.30                
 80 HIS  HE1    82 ASP  HA      5.60                
 80 HIS  HE1    82 ASP  HB2     3.90                
 80 HIS  HE1    82 ASP  HB3     4.30                
 81 PRO  HA     83 ASP  HN      4.30                
 81 PRO  HA     83 ASP  QB      4.78                
 81 PRO  HA     84 ARG  HN      4.40                
 81 PRO  HA     84 ARG  QB      6.68                
 81 PRO  HB2    82 ASP  HN      4.30                
 81 PRO  HB3    82 ASP  HN      4.30                
 81 PRO  QB     82 ASP  HN      4.06                
 81 PRO  QB     82 ASP  HA      5.58                
 82 ASP  HN     82 ASP  HB2     3.30                
 82 ASP  HN     82 ASP  HB3     3.40                
 82 ASP  HN     83 ASP  HN      3.40                
 82 ASP  HN     83 ASP  QB      5.08                
 82 ASP  HN     84 ARG  HN      5.70                
 82 ASP  HA     82 ASP  HB2     3.00                
 82 ASP  HB2    83 ASP  HN      4.90                
 82 ASP  HB3    83 ASP  HN      3.40                
 83 ASP  HN     83 ASP  HB2     3.40                
 83 ASP  HN     83 ASP  HB3     3.40                
 83 ASP  HN     83 ASP  QB      3.18                
 83 ASP  HN     84 ARG  HN      3.50                
 83 ASP  HA     83 ASP  HB2     3.00                
 83 ASP  HA     83 ASP  HB3     3.00                
 84 ARG  HN     84 ARG  HB2     3.90                
 84 ARG  HN     84 ARG  HB3     3.90                
 84 ARG  HN     84 ARG  HG2     4.70                
 84 ARG  HN     84 ARG  HG3     4.70                
 84 ARG  HN     84 ARG  QG      4.47                
 84 ARG  HA     84 ARG  HG2     4.20                
 84 ARG  HA     84 ARG  HG3     4.20                
116 LHEM HBP73 116 LHEM HGM     4.10                
116 LHEM HBP74 116 LHEM HGM     4.10                
116 LHEM QBP7  116 LHEM HGM     3.85                
116 LHEM QM8   116 LHEM QM1     5.60                
116 LHEM QM1   116 LHEM HV2A    4.50                
116 LHEM QM1   116 LHEM QT2     6.24                
116 LHEM QM3   116 LHEM QT4     6.84                
116 LHEM QM5   116 LHEM HAP61   4.50                
116 LHEM QM5   116 LHEM HAP62   4.50                
116 LHEM QM5   116 LHEM QAP6    4.12                
116 LHEM QM5   116 LHEM HBP63   5.00                
116 LHEM QM5   116 LHEM HBP64   5.00                
116 LHEM HGM   116 LHEM QBP6    5.08                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   3          H1        ALA   3  -2.995  18.737   5.737
    2   2H    ALA   3          H2        ALA   3  -3.589  20.284   5.917
    3   3H    ALA   3          H3        ALA   3  -4.346  18.975   6.609
    4    HA   ALA   3           HA       ALA   3  -4.091  19.495   3.744
    5   1HB   ALA   3          HB1       ALA   3  -6.576  19.298   5.511
    6   2HB   ALA   3          HB2       ALA   3  -5.883  20.808   4.877
    7   3HB   ALA   3          HB3       ALA   3  -6.553  19.607   3.764
    8    H    VAL   4           H        VAL   4  -5.806  17.809   2.671
    9    HA   VAL   4           HA       VAL   4  -4.588  15.224   3.138
   10    HB   VAL   4           HB       VAL   4  -6.810  14.071   2.869
   11   1HG1  VAL   4          HG11      VAL   4  -5.653  14.196   5.053
   12   2HG1  VAL   4          HG12      VAL   4  -6.628  15.629   5.460
   13   3HG1  VAL   4          HG13      VAL   4  -7.413  14.060   5.176
   14   1HG2  VAL   4          HG21      VAL   4  -8.052  16.738   3.586
   15   2HG2  VAL   4          HG22      VAL   4  -8.180  15.873   2.029
   16   3HG2  VAL   4          HG23      VAL   4  -8.851  15.156   3.498
   17    H    LYS   5           H        LYS   5  -5.475  13.842   1.129
   18    HA   LYS   5           HA       LYS   5  -5.288  15.644  -1.280
   19   1HB   LYS   5          HB2       LYS   5  -3.187  14.471  -0.456
   20   2HB   LYS   5          HB3       LYS   5  -3.953  12.954  -0.883
   21   1HG   LYS   5          HG2       LYS   5  -3.271  15.269  -2.780
   22   2HG   LYS   5          HG3       LYS   5  -2.345  13.796  -2.522
   23   1HD   LYS   5          HD2       LYS   5  -3.400  13.016  -4.309
   24   2HD   LYS   5          HD3       LYS   5  -4.680  12.625  -3.163
   25   1HE   LYS   5          HE2       LYS   5  -5.343  15.236  -3.869
   26   2HE   LYS   5          HE3       LYS   5  -4.519  14.710  -5.338
   27   1HZ   LYS   5          HZ1       LYS   5  -6.088  12.823  -5.388
   28   2HZ   LYS   5          HZ2       LYS   5  -6.797  13.374  -4.018
   29   3HZ   LYS   5          HZ3       LYS   5  -6.892  14.268  -5.396
   30    H    TYR   6           H        TYR   6  -6.299  12.559   0.168
   31    HA   TYR   6           HA       TYR   6  -7.651  10.967  -0.406
   32   1HB   TYR   6          HB2       TYR   6  -9.546  13.291  -1.099
   33   2HB   TYR   6          HB3       TYR   6  -9.919  11.617  -1.153
   34    HD1  TYR   6           HD1      TYR   6  -9.611  10.093   0.664
   35    HD2  TYR   6           HD2      TYR   6 -10.055  14.332   1.127
   36    HE1  TYR   6           HE1      TYR   6 -10.135   9.733   2.977
   37    HE2  TYR   6           HE2      TYR   6 -10.874  13.969   3.454
   38    HH   TYR   6           HH       TYR   6 -10.922  10.725   4.963
   39    H    TYR   7           H        TYR   7  -8.585   9.621  -1.518
   40    HA   TYR   7           HA       TYR   7  -8.685   9.676  -4.415
   41   1HB   TYR   7          HB2       TYR   7  -6.669   8.611  -2.459
   42   2HB   TYR   7          HB3       TYR   7  -7.211   7.438  -3.483
   43    HD1  TYR   7           HD1      TYR   7  -7.398   9.312  -6.125
   44    HD2  TYR   7           HD2      TYR   7  -4.477   9.072  -2.973
   45    HE1  TYR   7           HE1      TYR   7  -5.921  10.844  -7.364
   46    HE2  TYR   7           HE2      TYR   7  -2.965  10.524  -4.242
   47    HH   TYR   7           HH       TYR   7  -2.617  11.589  -6.327
   48    H    THR   8           H        THR   8 -10.047   8.039  -5.167
   49    HA   THR   8           HA       THR   8 -12.008   7.199  -3.123
   50    HB   THR   8           HB       THR   8 -13.400   6.916  -5.216
   51    HG1  THR   8           HG1      THR   8 -12.402   7.829  -7.114
   52   1HG2  THR   8          HG21      THR   8 -12.004   9.628  -4.902
   53   2HG2  THR   8          HG22      THR   8 -13.557   9.342  -5.712
   54   3HG2  THR   8          HG23      THR   8 -13.409   9.060  -3.969
   55    H    LEU   9           H        LEU   9 -12.930   5.045  -3.228
   56    HA   LEU   9           HA       LEU   9 -11.032   2.929  -3.459
   57   1HB   LEU   9          HB2       LEU   9 -12.602   2.426  -2.061
   58   2HB   LEU   9          HB3       LEU   9 -13.900   3.243  -2.881
   59    HG   LEU   9           HG       LEU   9 -12.708   0.628  -3.949
   60   1HD1  LEU   9          HD11      LEU   9 -13.191   0.227  -1.583
   61   2HD1  LEU   9          HD12      LEU   9 -14.830   0.885  -1.782
   62   3HD1  LEU   9          HD13      LEU   9 -14.358  -0.619  -2.607
   63   1HD2  LEU   9          HD21      LEU   9 -15.036   0.249  -4.752
   64   2HD2  LEU   9          HD22      LEU   9 -15.534   1.805  -4.059
   65   3HD2  LEU   9          HD23      LEU   9 -14.397   1.747  -5.418
   66    H    GLU  10           H        GLU  10 -13.384   4.178  -5.753
   67    HA   GLU  10           HA       GLU  10 -13.173   2.674  -8.034
   68   1HB   GLU  10          HB2       GLU  10 -14.452   4.722  -7.777
   69   2HB   GLU  10          HB3       GLU  10 -13.004   5.692  -7.620
   70   1HG   GLU  10          HG2       GLU  10 -14.087   5.962  -9.803
   71   2HG   GLU  10          HG3       GLU  10 -12.425   5.400  -9.934
   72    H    GLU  11           H        GLU  11 -10.861   5.212  -7.061
   73    HA   GLU  11           HA       GLU  11  -8.883   4.490  -9.133
   74   1HB   GLU  11          HB2       GLU  11  -8.693   6.234  -6.612
   75   2HB   GLU  11          HB3       GLU  11  -7.419   5.993  -7.779
   76   1HG   GLU  11          HG2       GLU  11 -10.180   7.244  -8.306
   77   2HG   GLU  11          HG3       GLU  11  -8.668   8.136  -8.139
   78    H    ILE  12           H        ILE  12  -9.191   3.922  -5.614
   79    HA   ILE  12           HA       ILE  12  -6.551   3.088  -5.556
   80    HB   ILE  12           HB       ILE  12  -8.887   2.476  -3.688
   81   1HG1  ILE  12          HG12      ILE  12  -6.551   4.280  -2.994
   82   2HG1  ILE  12          HG13      ILE  12  -7.799   4.897  -4.087
   83   1HG2  ILE  12          HG21      ILE  12  -7.438   0.756  -3.095
   84   2HG2  ILE  12          HG22      ILE  12  -5.984   1.788  -3.231
   85   3HG2  ILE  12          HG23      ILE  12  -7.144   2.020  -1.907
   86   1HD1  ILE  12          HD11      ILE  12  -8.416   5.551  -1.907
   87   2HD1  ILE  12          HD12      ILE  12  -9.519   4.254  -2.384
   88   3HD1  ILE  12          HD13      ILE  12  -8.207   3.916  -1.242
   89    H    GLN  13           H        GLU  13  -9.504   1.178  -6.074
   90    HA   GLN  13           HA       GLU  13  -8.276  -1.418  -6.074
   91   1HB   GLN  13          HB2       GLU  13 -10.725  -0.260  -7.500
   92   2HB   GLN  13          HB3       GLU  13 -10.213  -1.939  -7.671
   93   1HG   GLN  13          HG2       GLU  13 -10.425  -2.259  -5.213
   94   2HG   GLN  13          HG3       GLU  13 -10.931  -0.571  -5.037
   95    H    LYS  14           H        LYS  14  -8.879   1.029  -8.543
   96    HA   LYS  14           HA       LYS  14  -8.012  -0.367 -10.812
   97   1HB   LYS  14          HB2       LYS  14  -9.400   1.497 -11.002
   98   2HB   LYS  14          HB3       LYS  14  -8.361   2.534 -10.040
   99   1HG   LYS  14          HG2       LYS  14  -6.675   2.633 -11.758
  100   2HG   LYS  14          HG3       LYS  14  -7.706   1.659 -12.841
  101   1HD   LYS  14          HD2       LYS  14  -8.091   4.497 -11.759
  102   2HD   LYS  14          HD3       LYS  14  -7.915   3.972 -13.425
  103   1HE   LYS  14          HE2       LYS  14 -10.176   4.390 -13.355
  104   2HE   LYS  14          HE3       LYS  14 -10.186   2.656 -13.004
  105   1HZ   LYS  14          HZ1       LYS  14 -11.601   3.930 -11.536
  106   2HZ   LYS  14          HZ2       LYS  14 -10.424   3.298 -10.617
  107   3HZ   LYS  14          HZ3       LYS  14 -10.347   4.885 -11.056
  108    H    HIS  15           H        HIS  15  -6.178   1.764  -8.591
  109    HA   HIS  15           HA       HIS  15  -3.688   1.584 -10.098
  110   1HB   HIS  15          HB2       HIS  15  -4.475   2.701  -7.399
  111   2HB   HIS  15          HB3       HIS  15  -2.796   2.592  -7.954
  112    HD1  HIS  15           HD1      HIS  15  -2.080   4.916  -8.800
  113    HD2  HIS  15           HD2      HIS  15  -6.036   3.906  -9.790
  114    HE1  HIS  15           HE1      HIS  15  -2.946   6.759 -10.334
  115    H    ASN  16           H        ASN  16  -3.828  -0.745 -10.239
  116    HA   ASN  16           HA       ASN  16  -2.428  -2.140  -7.981
  117   1HB   ASN  16          HB2       ASN  16  -4.915  -2.211  -7.740
  118   2HB   ASN  16          HB3       ASN  16  -5.032  -3.022  -9.306
  119   1HD2  ASN  16          HD21      ASN  16  -3.464  -3.219  -6.141
  120   2HD2  ASN  16          HD22      ASN  16  -3.477  -4.976  -6.019
  121    H    ASN  17           H        ASN  17  -1.650  -1.494 -10.998
  122    HA   ASN  17           HA       ASN  17  -0.739  -4.245 -11.568
  123   1HB   ASN  17          HB2       ASN  17  -3.101  -4.262 -12.335
  124   2HB   ASN  17          HB3       ASN  17  -2.750  -2.889 -13.398
  125   1HD2  ASN  17          HD21      ASN  17  -3.516  -4.394 -15.136
  126   2HD2  ASN  17          HD22      ASN  17  -2.369  -5.561 -15.774
  127    H    SER  18           H        SER  18   1.138  -2.557 -11.175
  128    HA   SER  18           HA       SER  18   3.213  -2.364 -12.118
  129   1HB   SER  18          HB2       SER  18   2.763  -4.491 -13.223
  130   2HB   SER  18          HB3       SER  18   1.905  -3.678 -14.547
  131    HG   SER  18           HG       SER  18   3.851  -2.546 -14.982
  132    H    LYS  19           H        LYS  19   1.921  -0.216 -11.854
  133    HA   LYS  19           HA       LYS  19   2.243   1.701 -14.037
  134   1HB   LYS  19          HB2       LYS  19  -0.399   0.351 -13.227
  135   2HB   LYS  19          HB3       LYS  19  -0.389   1.988 -13.784
  136   1HG   LYS  19          HG2       LYS  19   0.310  -0.519 -15.322
  137   2HG   LYS  19          HG3       LYS  19  -1.023   0.589 -15.598
  138   1HD   LYS  19          HD2       LYS  19   0.646   2.364 -16.265
  139   2HD   LYS  19          HD3       LYS  19   1.937   1.146 -16.093
  140   1HE   LYS  19          HE2       LYS  19   0.765  -0.320 -17.741
  141   2HE   LYS  19          HE3       LYS  19  -0.412   0.977 -18.024
  142   1HZ   LYS  19          HZ1       LYS  19   2.496   1.139 -18.492
  143   2HZ   LYS  19          HZ2       LYS  19   1.341   0.981 -19.651
  144   3HZ   LYS  19          HZ3       LYS  19   1.424   2.362 -18.762
  145    H    SER  20           H        SER  20   0.234   0.865 -11.198
  146    HA   SER  20           HA       SER  20   1.738   2.515  -9.475
  147   1HB   SER  20          HB2       SER  20  -1.232   3.058  -9.752
  148   2HB   SER  20          HB3       SER  20  -0.091   3.834  -8.617
  149    HG   SER  20           HG       SER  20   0.942   4.254 -10.956
  150    H    THR  21           H        THR  21   1.436   1.483  -7.436
  151    HA   THR  21           HA       THR  21  -0.791  -0.499  -7.154
  152    HB   THR  21           HB       THR  21   2.133  -0.837  -6.484
  153    HG1  THR  21           HG1      THR  21   0.551  -1.325  -8.634
  154   1HG2  THR  21          HG21      THR  21   0.701  -2.035  -4.830
  155   2HG2  THR  21          HG22      THR  21  -0.229  -2.757  -6.170
  156   3HG2  THR  21          HG23      THR  21   1.475  -3.186  -5.936
  157    H    TRP  22           H        TRP  22  -2.101   0.298  -5.732
  158    HA   TRP  22           HA       TRP  22  -1.236   2.210  -3.626
  159   1HB   TRP  22          HB2       TRP  22  -3.657   1.834  -5.372
  160   2HB   TRP  22          HB3       TRP  22  -3.856   2.618  -3.854
  161    HD1  TRP  22           HD1      TRP  22  -0.557   3.325  -5.537
  162    HE1  TRP  22           HE1      TRP  22  -0.451   5.552  -6.631
  163    HE3  TRP  22           HE3      TRP  22  -5.409   4.687  -4.840
  164    HZ2  TRP  22           HZ2      TRP  22  -2.390   7.648  -7.428
  165    HZ3  TRP  22           HZ3      TRP  22  -6.309   6.707  -5.926
  166    HH2  TRP  22           HH2      TRP  22  -4.855   8.080  -7.396
  167    H    LEU  23           H        LEU  23  -2.018   1.829  -1.433
  168    HA   LEU  23           HA       LEU  23  -3.939  -0.363  -1.062
  169   1HB   LEU  23          HB2       LEU  23  -1.986  -0.733   1.018
  170   2HB   LEU  23          HB3       LEU  23  -2.647  -1.865  -0.102
  171    HG   LEU  23           HG       LEU  23  -0.734  -0.850  -1.738
  172   1HD1  LEU  23          HD11      LEU  23   1.233  -0.403  -0.409
  173   2HD1  LEU  23          HD12      LEU  23  -0.059   0.710   0.058
  174   3HD1  LEU  23          HD13      LEU  23   0.330  -0.690   1.101
  175   1HD2  LEU  23          HD21      LEU  23  -1.017  -3.256  -1.117
  176   2HD2  LEU  23          HD22      LEU  23   0.664  -2.703  -1.085
  177   3HD2  LEU  23          HD23      LEU  23  -0.239  -2.915   0.438
  178    H    ILE  24           H        ILE  24  -4.907  -0.336   1.083
  179    HA   ILE  24           HA       ILE  24  -4.697   2.354   2.345
  180    HB   ILE  24           HB       ILE  24  -6.992   0.431   2.748
  181   1HG1  ILE  24          HG12      ILE  24  -7.217   2.650   0.719
  182   2HG1  ILE  24          HG13      ILE  24  -6.771   1.016   0.228
  183   1HG2  ILE  24          HG21      ILE  24  -8.195   2.365   3.474
  184   2HG2  ILE  24          HG22      ILE  24  -6.648   2.292   4.319
  185   3HG2  ILE  24          HG23      ILE  24  -6.868   3.436   2.974
  186   1HD1  ILE  24          HD11      ILE  24  -9.150   1.302  -0.019
  187   2HD1  ILE  24          HD12      ILE  24  -8.752   0.036   1.145
  188   3HD1  ILE  24          HD13      ILE  24  -9.323   1.604   1.726
  189    H    LEU  25           H        LEU  25  -3.729   2.522   4.127
  190    HA   LEU  25           HA       LEU  25  -3.477   0.237   6.056
  191   1HB   LEU  25          HB2       LEU  25  -1.379   1.920   4.856
  192   2HB   LEU  25          HB3       LEU  25  -1.246   1.532   6.575
  193    HG   LEU  25           HG       LEU  25  -1.328  -0.876   6.024
  194   1HD1  LEU  25          HD11      LEU  25  -1.384   0.135   3.162
  195   2HD1  LEU  25          HD12      LEU  25  -0.784  -1.481   3.599
  196   3HD1  LEU  25          HD13      LEU  25  -2.451  -1.055   3.958
  197   1HD2  LEU  25          HD21      LEU  25   0.816   0.721   4.564
  198   2HD2  LEU  25          HD22      LEU  25   0.829   0.284   6.292
  199   3HD2  LEU  25          HD23      LEU  25   0.961  -0.978   5.053
  200    H    HIS  26           H        HIS  26  -5.205   1.049   7.269
  201    HA   HIS  26           HA       HIS  26  -6.175   2.288   8.915
  202   1HB   HIS  26          HB2       HIS  26  -3.841   4.204   9.094
  203   2HB   HIS  26          HB3       HIS  26  -4.937   3.661  10.351
  204    HD1  HIS  26           HD1      HIS  26  -4.374   1.047  11.267
  205    HD2  HIS  26           HD2      HIS  26  -1.579   2.952   8.752
  206    HE1  HIS  26           HE1      HIS  26  -2.194  -0.253  11.472
  207    H    TYR  27           H        TYR  27  -7.007   2.761   6.441
  208    HA   TYR  27           HA       TYR  27  -8.072   4.088   5.056
  209   1HB   TYR  27          HB2       TYR  27  -8.531   5.670   7.572
  210   2HB   TYR  27          HB3       TYR  27  -9.192   6.163   6.011
  211    HD1  TYR  27           HD1      TYR  27 -10.171   4.454   8.876
  212    HD2  TYR  27           HD2      TYR  27 -10.260   4.150   4.580
  213    HE1  TYR  27           HE1      TYR  27 -12.268   3.124   8.992
  214    HE2  TYR  27           HE2      TYR  27 -12.228   2.664   4.723
  215    HH   TYR  27           HH       TYR  27 -13.998   2.043   6.030
  216    H    LYS  28           H        LYS  28  -5.236   5.638   6.333
  217    HA   LYS  28           HA       LYS  28  -5.089   7.561   4.152
  218   1HB   LYS  28          HB2       LYS  28  -3.230   6.496   6.204
  219   2HB   LYS  28          HB3       LYS  28  -2.493   6.872   4.641
  220   1HG   LYS  28          HG2       LYS  28  -2.351   8.738   6.152
  221   2HG   LYS  28          HG3       LYS  28  -3.204   9.095   4.635
  222   1HD   LYS  28          HD2       LYS  28  -5.380   9.041   5.846
  223   2HD   LYS  28          HD3       LYS  28  -4.580   8.483   7.301
  224   1HE   LYS  28          HE2       LYS  28  -5.187  10.974   7.213
  225   2HE   LYS  28          HE3       LYS  28  -3.543  10.562   7.716
  226   1HZ   LYS  28          HZ1       LYS  28  -4.263  11.548   4.994
  227   2HZ   LYS  28          HZ2       LYS  28  -3.550  12.390   6.170
  228   3HZ   LYS  28          HZ3       LYS  28  -2.781  11.117   5.494
  229    H    VAL  29           H        VAL  29  -3.741   7.267   2.211
  230    HA   VAL  29           HA       VAL  29  -3.864   4.500   1.129
  231    HB   VAL  29           HB       VAL  29  -4.531   7.138  -0.148
  232   1HG1  VAL  29          HG11      VAL  29  -3.029   6.052  -1.740
  233   2HG1  VAL  29          HG12      VAL  29  -3.951   4.544  -1.627
  234   3HG1  VAL  29          HG13      VAL  29  -4.700   6.014  -2.300
  235   1HG2  VAL  29          HG21      VAL  29  -5.928   4.459  -0.286
  236   2HG2  VAL  29          HG22      VAL  29  -6.280   5.654   0.979
  237   3HG2  VAL  29          HG23      VAL  29  -6.546   6.064  -0.741
  238    H    TYR  30           H        TYR  30  -2.116   3.734   0.163
  239    HA   TYR  30           HA       TYR  30   0.453   5.223   0.474
  240   1HB   TYR  30          HB2       TYR  30  -0.576   2.453   1.165
  241   2HB   TYR  30          HB3       TYR  30   1.127   2.774   1.161
  242    HD1  TYR  30           HD1      TYR  30   2.055   3.868   3.217
  243    HD2  TYR  30           HD2      TYR  30  -2.192   3.587   2.615
  244    HE1  TYR  30           HE1      TYR  30   1.641   4.585   5.572
  245    HE2  TYR  30           HE2      TYR  30  -2.565   4.492   4.857
  246    HH   TYR  30           HH       TYR  30  -1.637   4.447   6.910
  247    H    ASP  31           H        ASP  31   1.500   5.346  -1.502
  248    HA   ASP  31           HA       ASP  31   0.841   3.366  -3.639
  249   1HB   ASP  31          HB2       ASP  31   0.621   5.824  -4.244
  250   2HB   ASP  31          HB3       ASP  31   2.376   5.949  -3.995
  251    H    LEU  32           H        LEU  32   2.653   2.277  -4.420
  252    HA   LEU  32           HA       LEU  32   5.258   2.842  -3.120
  253   1HB   LEU  32          HB2       LEU  32   4.876  -0.069  -3.400
  254   2HB   LEU  32          HB3       LEU  32   5.728   0.894  -2.200
  255    HG   LEU  32           HG       LEU  32   2.738   0.382  -2.208
  256   1HD1  LEU  32          HD11      LEU  32   4.971  -0.681  -0.407
  257   2HD1  LEU  32          HD12      LEU  32   3.285  -1.217  -0.435
  258   3HD1  LEU  32          HD13      LEU  32   4.335  -1.564  -1.819
  259   1HD2  LEU  32          HD21      LEU  32   3.469   1.069   0.374
  260   2HD2  LEU  32          HD22      LEU  32   4.455   2.170  -0.620
  261   3HD2  LEU  32          HD23      LEU  32   2.676   2.140  -0.772
  262    H    THR  33           H        THR  33   4.100   0.268  -5.271
  263    HA   THR  33           HA       THR  33   4.533  -0.332  -7.346
  264    HB   THR  33           HB       THR  33   5.103   2.615  -7.915
  265    HG1  THR  33           HG1      THR  33   3.148   2.645  -6.941
  266   1HG2  THR  33          HG21      THR  33   5.529   1.060  -9.823
  267   2HG2  THR  33          HG22      THR  33   3.904   0.376  -9.611
  268   3HG2  THR  33          HG23      THR  33   4.102   2.072 -10.100
  269    H    LYS  34           H        LYS  34   7.139   2.002  -6.470
  270    HA   LYS  34           HA       LYS  34   9.182   0.572  -7.992
  271   1HB   LYS  34          HB2       LYS  34   9.470   2.636  -5.769
  272   2HB   LYS  34          HB3       LYS  34  10.692   2.172  -6.963
  273   1HG   LYS  34          HG2       LYS  34   9.271   3.106  -8.774
  274   2HG   LYS  34          HG3       LYS  34   8.034   3.540  -7.580
  275   1HD   LYS  34          HD2       LYS  34   9.857   4.919  -6.378
  276   2HD   LYS  34          HD3       LYS  34  10.867   4.628  -7.795
  277   1HE   LYS  34          HE2       LYS  34   9.836   6.794  -8.046
  278   2HE   LYS  34          HE3       LYS  34   9.116   5.708  -9.242
  279   1HZ   LYS  34          HZ1       LYS  34   7.478   7.068  -8.113
  280   2HZ   LYS  34          HZ2       LYS  34   7.204   5.487  -7.779
  281   3HZ   LYS  34          HZ3       LYS  34   7.901   6.455  -6.649
  282    H    PHE  35           H        PHE  35   7.996   0.765  -4.667
  283    HA   PHE  35           HA       PHE  35  10.258  -0.436  -3.357
  284   1HB   PHE  35          HB2       PHE  35   8.362   0.992  -2.288
  285   2HB   PHE  35          HB3       PHE  35   7.371  -0.486  -2.445
  286    HD1  PHE  35           HD1      PHE  35  10.825   0.356  -1.153
  287    HD2  PHE  35           HD2      PHE  35   7.108  -1.772  -0.568
  288    HE1  PHE  35           HE1      PHE  35  11.767  -0.790   0.828
  289    HE2  PHE  35           HE2      PHE  35   8.027  -2.822   1.429
  290    HZ   PHE  35           HZ       PHE  35  10.427  -2.433   2.066
  291    H    LEU  36           H        LEU  36   7.544  -1.659  -5.080
  292    HA   LEU  36           HA       LEU  36   7.146  -4.304  -4.272
  293   1HB   LEU  36          HB2       LEU  36   7.321  -2.955  -7.008
  294   2HB   LEU  36          HB3       LEU  36   6.559  -4.476  -6.737
  295    HG   LEU  36           HG       LEU  36   5.575  -1.808  -5.777
  296   1HD1  LEU  36          HD11      LEU  36   5.078  -2.631  -8.107
  297   2HD1  LEU  36          HD12      LEU  36   4.374  -4.085  -7.404
  298   3HD1  LEU  36          HD13      LEU  36   3.610  -2.523  -7.114
  299   1HD2  LEU  36          HD21      LEU  36   3.679  -3.050  -4.718
  300   2HD2  LEU  36          HD22      LEU  36   4.610  -4.551  -4.886
  301   3HD2  LEU  36          HD23      LEU  36   5.207  -3.226  -3.857
  302    H    GLU  37           H        GLU  37   9.754  -2.838  -6.188
  303    HA   GLU  37           HA       GLU  37  11.108  -5.218  -6.963
  304   1HB   GLU  37          HB2       GLU  37  11.301  -2.778  -7.803
  305   2HB   GLU  37          HB3       GLU  37  12.335  -2.474  -6.412
  306   1HG   GLU  37          HG2       GLU  37  13.888  -4.238  -7.199
  307   2HG   GLU  37          HG3       GLU  37  12.807  -4.559  -8.572
  308    H    GLU  38           H        GLU  38  11.384  -3.078  -4.175
  309    HA   GLU  38           HA       GLU  38  13.830  -4.217  -3.107
  310   1HB   GLU  38          HB2       GLU  38  12.949  -1.800  -3.001
  311   2HB   GLU  38          HB3       GLU  38  11.856  -2.338  -1.722
  312   1HG   GLU  38          HG2       GLU  38  14.890  -2.502  -1.679
  313   2HG   GLU  38          HG3       GLU  38  13.932  -1.234  -0.914
  314    H    HIS  39           HN       HIS  39  10.472  -4.076  -2.106
  315    HA   HIS  39           HA       HIS  39  10.342  -4.871   0.338
  316   1HB   HIS  39          HB2       HIS  39   8.428  -4.285  -1.083
  317   2HB   HIS  39          HB3       HIS  39   8.493  -5.876  -1.849
  318    HD1  HIS  39           HD1      HIS  39   6.356  -7.082  -0.957
  319    HD2  HIS  39           HD2      HIS  39   8.521  -4.941   1.950
  320    HE1  HIS  39           HE1      HIS  39   5.099  -7.351   1.234
  321    HA   PRO  40           HA       PRO  40  12.137  -9.075   0.585
  322   1HB   PRO  40          HB2       PRO  40  10.877  -8.704   3.316
  323   2HB   PRO  40          HB3       PRO  40  12.418  -9.510   2.906
  324   1HG   PRO  40          HG2       PRO  40  12.484  -6.959   3.801
  325   2HG   PRO  40          HG3       PRO  40  13.438  -7.386   2.353
  326   1HD   PRO  40          HD2       PRO  40  10.731  -6.043   2.461
  327   2HD   PRO  40          HD3       PRO  40  12.173  -5.621   1.484
  328    H    GLY  41           H        GLY  41   8.816  -8.168   1.627
  329   1HA   GLY  41          HA1       GLY  41   7.655 -10.791   1.516
  330   2HA   GLY  41          HA2       GLY  41   6.814  -9.264   1.411
  331    H    GLY  42           H        GLY  42   8.812  -8.757  -1.069
  332   1HA   GLY  42          HA1       GLY  42   8.741  -9.013  -3.336
  333   2HA   GLY  42          HA2       GLY  42   7.761 -10.481  -3.136
  334    H    GLU  43           H        GLU  43   7.126  -9.035  -5.204
  335    HA   GLU  43           HA       GLU  43   5.195  -6.943  -4.625
  336   1HB   GLU  43          HB2       GLU  43   6.510  -6.645  -6.522
  337   2HB   GLU  43          HB3       GLU  43   6.137  -8.181  -7.239
  338   1HG   GLU  43          HG2       GLU  43   3.797  -7.659  -7.559
  339   2HG   GLU  43          HG3       GLU  43   4.012  -6.101  -6.748
  340    H    GLU  44           H        GLU  44   4.794 -10.075  -6.383
  341    HA   GLU  44           HA       GLU  44   2.280 -10.159  -6.936
  342   1HB   GLU  44          HB2       GLU  44   3.632 -12.499  -5.514
  343   2HB   GLU  44          HB3       GLU  44   2.187 -12.593  -6.530
  344   1HG   GLU  44          HG2       GLU  44   3.521 -11.695  -8.453
  345   2HG   GLU  44          HG3       GLU  44   4.979 -11.754  -7.441
  346    H    VAL  45           H        VAL  45   2.997 -11.514  -3.709
  347    HA   VAL  45           HA       VAL  45   0.402 -11.634  -2.716
  348    HB   VAL  45           HB       VAL  45   2.358 -12.735  -1.770
  349   1HG1  VAL  45          HG11      VAL  45   3.985 -11.670  -0.370
  350   2HG1  VAL  45          HG12      VAL  45   4.019 -10.870  -1.944
  351   3HG1  VAL  45          HG13      VAL  45   3.235 -10.085  -0.559
  352   1HG2  VAL  45          HG21      VAL  45   1.906 -12.419   0.642
  353   2HG2  VAL  45          HG22      VAL  45   0.929 -10.996   0.267
  354   3HG2  VAL  45          HG23      VAL  45   0.423 -12.587  -0.328
  355    H    LEU  46           H        LEU  46   2.664  -8.877  -2.603
  356    HA   LEU  46           HA       LEU  46   0.992  -7.211  -0.938
  357   1HB   LEU  46          HB2       LEU  46   3.467  -7.067  -1.042
  358   2HB   LEU  46          HB3       LEU  46   3.388  -6.571  -2.732
  359    HG   LEU  46           HG       LEU  46   2.306  -4.473  -2.167
  360   1HD1  LEU  46          HD11      LEU  46   2.331  -5.686   0.599
  361   2HD1  LEU  46          HD12      LEU  46   2.129  -3.937   0.357
  362   3HD1  LEU  46          HD13      LEU  46   0.909  -5.068  -0.267
  363   1HD2  LEU  46          HD21      LEU  46   4.148  -3.489  -0.867
  364   2HD2  LEU  46          HD22      LEU  46   4.609  -5.063  -0.262
  365   3HD2  LEU  46          HD23      LEU  46   4.817  -4.695  -1.988
  366    H    ARG  47           H        ARG  47   1.383  -7.825  -4.375
  367    HA   ARG  47           HA       ARG  47   0.090  -5.377  -5.271
  368   1HB   ARG  47          HB2       ARG  47   1.836  -6.763  -6.476
  369   2HB   ARG  47          HB3       ARG  47   0.591  -7.937  -6.856
  370   1HG   ARG  47          HG2       ARG  47  -0.097  -5.101  -7.566
  371   2HG   ARG  47          HG3       ARG  47   1.373  -5.707  -8.320
  372   1HD   ARG  47          HD2       ARG  47  -0.291  -6.134  -9.866
  373   2HD   ARG  47          HD3       ARG  47   0.077  -7.703  -9.190
  374    HE   ARG  47           HE       ARG  47  -2.341  -5.972  -8.854
  375   1HH1  ARG  47          HH22      ARG  47  -0.831  -9.141  -7.997
  376   2HH1  ARG  47          HH21      ARG  47  -2.405  -9.790  -7.510
  377   1HH2  ARG  47          HH11      ARG  47  -4.297  -6.991  -8.049
  378   2HH2  ARG  47          HH12      ARG  47  -4.198  -8.716  -7.564
  379    H    GLU  48           H        GLU  48  -0.729  -8.714  -4.497
  380    HA   GLU  48           HA       GLU  48  -3.455  -8.528  -5.412
  381   1HB   GLU  48          HB2       GLU  48  -1.908 -10.563  -5.258
  382   2HB   GLU  48          HB3       GLU  48  -2.086 -10.432  -3.515
  383   1HG   GLU  48          HG2       GLU  48  -3.637 -12.142  -4.438
  384   2HG   GLU  48          HG3       GLU  48  -4.641 -10.770  -3.955
  385    H    GLN  49           H        GLN  49  -1.879  -7.944  -2.272
  386    HA   GLN  49           HA       GLN  49  -4.450  -7.408  -0.920
  387   1HB   GLN  49          HB2       GLN  49  -1.546  -6.736  -0.261
  388   2HB   GLN  49          HB3       GLN  49  -2.902  -6.351   0.792
  389   1HG   GLN  49          HG2       GLN  49  -2.026  -9.157  -0.071
  390   2HG   GLN  49          HG3       GLN  49  -1.781  -8.384   1.492
  391   1HE2  GLN  49          HE21      GLN  49  -4.266  -9.731  -0.709
  392   2HE2  GLN  49          HE22      GLN  49  -5.442 -10.018   0.561
  393    H    ALA  50           H        ALA  50  -2.222  -5.722  -2.897
  394    HA   ALA  50           HA       ALA  50  -3.003  -3.023  -2.281
  395   1HB   ALA  50          HB1       ALA  50  -1.813  -4.161  -4.808
  396   2HB   ALA  50          HB2       ALA  50  -2.164  -2.463  -4.587
  397   3HB   ALA  50          HB3       ALA  50  -1.008  -3.279  -3.513
  398    H    GLY  51           H        GLY  51  -4.258  -1.580  -3.558
  399   1HA   GLY  51          HA1       GLY  51  -6.309  -0.859  -4.059
  400   2HA   GLY  51          HA2       GLY  51  -6.350  -2.100  -5.306
  401    H    GLY  52           H        GLY  52  -6.003  -2.008  -1.710
  402   1HA   GLY  52          HA1       GLY  52  -8.692  -2.015  -1.036
  403   2HA   GLY  52          HA2       GLY  52  -8.089  -3.697  -0.941
  404    H    ASP  53           H        ASP  53  -8.754  -2.793   1.222
  405    HA   ASP  53           HA       ASP  53  -6.797  -1.571   2.958
  406   1HB   ASP  53          HB2       ASP  53  -9.194  -3.327   3.515
  407   2HB   ASP  53          HB3       ASP  53  -8.077  -2.811   4.787
  408    H    ALA  54           H        ALA  54  -4.856  -2.218   3.124
  409    HA   ALA  54           HA       ALA  54  -4.301  -5.161   3.495
  410   1HB   ALA  54          HB1       ALA  54  -3.191  -4.125   1.524
  411   2HB   ALA  54          HB2       ALA  54  -2.371  -2.990   2.608
  412   3HB   ALA  54          HB3       ALA  54  -2.067  -4.736   2.752
  413    H    THR  55           H        THR  55  -5.268  -2.818   5.311
  414    HA   THR  55           HA       THR  55  -3.167  -2.016   6.976
  415    HB   THR  55           HB       THR  55  -6.122  -2.307   7.729
  416    HG1  THR  55           HG1      THR  55  -5.489  -0.952   5.736
  417   1HG2  THR  55          HG21      THR  55  -5.591  -0.366   9.193
  418   2HG2  THR  55          HG22      THR  55  -4.608  -1.776   9.634
  419   3HG2  THR  55          HG23      THR  55  -3.890  -0.463   8.671
  420    H    GLU  56           H        GLU  56  -5.623  -4.641   7.548
  421    HA   GLU  56           HA       GLU  56  -4.667  -5.471  10.055
  422   1HB   GLU  56          HB2       GLU  56  -6.173  -7.011   7.870
  423   2HB   GLU  56          HB3       GLU  56  -6.021  -7.470   9.568
  424   1HG   GLU  56          HG2       GLU  56  -7.179  -5.347  10.223
  425   2HG   GLU  56          HG3       GLU  56  -7.429  -4.964   8.508
  426    H    ASN  57           H        ASN  57  -4.128  -6.681   6.723
  427    HA   ASN  57           HA       ASN  57  -2.379  -8.772   7.277
  428   1HB   ASN  57          HB2       ASN  57  -3.508  -8.166   5.104
  429   2HB   ASN  57          HB3       ASN  57  -2.242  -6.964   4.830
  430   1HD2  ASN  57          HD21      ASN  57  -3.031  -9.691   3.530
  431   2HD2  ASN  57          HD22      ASN  57  -1.504 -10.574   3.497
  432    H    PHE  58           H        PHE  58  -1.544  -5.337   6.614
  433    HA   PHE  58           HA       PHE  58   1.263  -5.569   6.750
  434   1HB   PHE  58          HB2       PHE  58   0.071  -3.566   5.963
  435   2HB   PHE  58          HB3       PHE  58  -0.556  -3.272   7.577
  436    HD1  PHE  58           HD1      PHE  58   0.627  -1.818   9.034
  437    HD2  PHE  58           HD2      PHE  58   2.711  -3.739   5.787
  438    HE1  PHE  58           HE1      PHE  58   2.576  -0.370   9.431
  439    HE2  PHE  58           HE2      PHE  58   4.680  -2.273   6.183
  440    HZ   PHE  58           HZ       PHE  58   4.625  -0.592   8.002
  441    H    GLU  59           H        GLU  59  -1.088  -4.799   9.373
  442    HA   GLU  59           HA       GLU  59   0.871  -4.748  11.457
  443   1HB   GLU  59          HB2       GLU  59  -2.147  -5.275  11.467
  444   2HB   GLU  59          HB3       GLU  59  -1.183  -5.053  12.922
  445   1HG   GLU  59          HG2       GLU  59  -1.551  -2.988  10.701
  446   2HG   GLU  59          HG3       GLU  59  -2.301  -2.967  12.300
  447    H    ASP  60           H        ASP  60  -1.057  -7.316  10.116
  448    HA   ASP  60           HA       ASP  60  -0.799  -9.333  12.046
  449   1HB   ASP  60          HB2       ASP  60  -2.399  -9.261  10.044
  450   2HB   ASP  60          HB3       ASP  60  -1.011  -9.644   9.021
  451    H    HIS  61           H        HIS  61   1.143  -8.549   9.185
  452    HA   HIS  61           HA       HIS  61   3.203 -10.528   9.602
  453   1HB   HIS  61          HB2       HIS  61   2.957  -7.992   7.992
  454   2HB   HIS  61          HB3       HIS  61   4.504  -8.853   8.072
  455    HD1  HIS  61           HD1      HIS  61   0.891  -9.411   6.806
  456    HD2  HIS  61           HD2      HIS  61   4.752 -11.112   6.734
  457    HE1  HIS  61           HE1      HIS  61   0.804 -11.396   5.200
  458    H    GLY  62           H        GLY  62   2.549  -7.734  11.488
  459   1HA   GLY  62          HA1       GLY  62   3.710  -6.738  13.165
  460   2HA   GLY  62          HA2       GLY  62   4.748  -8.172  13.169
  461    H    HIS  63           HN       HIS  63   4.258  -5.713  10.614
  462    HA   HIS  63           HA       HIS  63   6.938  -5.575   9.868
  463   1HB   HIS  63          HB2       HIS  63   4.605  -3.671   9.524
  464   2HB   HIS  63          HB3       HIS  63   6.208  -3.256   8.922
  465    HD1  HIS  63           HD1      HIS  63   3.477  -5.884   8.289
  466    HD2  HIS  63           HD2      HIS  63   7.050  -4.329   6.721
  467    HE1  HIS  63           HE1      HIS  63   3.699  -6.835   5.949
  468    H    SER  64           H        SER  64   8.653  -4.276  10.242
  469    HA   SER  64           HA       SER  64   8.981  -3.256  12.886
  470   1HB   SER  64          HB2       SER  64  10.809  -3.038  10.445
  471   2HB   SER  64          HB3       SER  64  11.295  -2.860  12.142
  472    HG   SER  64           HG       SER  64  10.354  -5.149  10.773
  473    H    THR  65           H        THR  65   9.992  -1.126  13.367
  474    HA   THR  65           HA       THR  65   8.400   1.098  12.691
  475    HB   THR  65           HB       THR  65   9.715   1.041  14.649
  476    HG1  THR  65           HG1      THR  65  10.571   3.181  14.431
  477   1HG2  THR  65          HG21      THR  65  12.115   1.376  14.749
  478   2HG2  THR  65          HG22      THR  65  11.843  -0.051  13.741
  479   3HG2  THR  65          HG23      THR  65  12.239   1.508  12.992
  480    H    ASP  66           H        ASP  66  11.674   0.218  11.254
  481    HA   ASP  66           HA       ASP  66  11.848   2.349   9.525
  482   1HB   ASP  66          HB2       ASP  66  12.581  -0.542   8.803
  483   2HB   ASP  66          HB3       ASP  66  13.390   0.939   8.274
  484    H    ALA  67           H        ALA  67   9.960  -0.633   8.999
  485    HA   ALA  67           HA       ALA  67   9.211  -0.036   6.316
  486   1HB   ALA  67          HB1       ALA  67   9.174  -2.333   7.146
  487   2HB   ALA  67          HB2       ALA  67   7.988  -1.903   8.387
  488   3HB   ALA  67          HB3       ALA  67   7.527  -1.849   6.681
  489    H    ARG  68           H        ARG  68   7.740   0.370   9.511
  490    HA   ARG  68           HA       ARG  68   5.257   1.592   8.818
  491   1HB   ARG  68          HB2       ARG  68   7.052   1.343  11.165
  492   2HB   ARG  68          HB3       ARG  68   5.805   2.518  11.355
  493   1HG   ARG  68          HG2       ARG  68   4.129   0.729  10.842
  494   2HG   ARG  68          HG3       ARG  68   5.454  -0.388  10.453
  495   1HD   ARG  68          HD2       ARG  68   6.313  -0.055  12.825
  496   2HD   ARG  68          HD3       ARG  68   4.779   0.719  13.216
  497    HE   ARG  68           HE       ARG  68   5.407  -2.107  12.736
  498   1HH1  ARG  68          HH22      ARG  68   2.754   0.223  12.527
  499   2HH1  ARG  68          HH21      ARG  68   1.516  -1.007  12.469
  500   1HH2  ARG  68          HH11      ARG  68   3.769  -3.704  12.912
  501   2HH2  ARG  68          HH12      ARG  68   2.082  -3.193  12.996
  502    H    GLU  69           H        GLU  69   8.194   3.312  10.017
  503    HA   GLU  69           HA       GLU  69   7.839   5.901   9.204
  504   1HB   GLU  69          HB2       GLU  69  10.256   4.063   8.943
  505   2HB   GLU  69          HB3       GLU  69  10.373   5.784   8.758
  506   1HG   GLU  69          HG2       GLU  69   9.686   4.236  11.281
  507   2HG   GLU  69          HG3       GLU  69  11.070   5.263  10.948
  508    H    LEU  70           H        LEU  70   9.204   3.374   7.022
  509    HA   LEU  70           HA       LEU  70   9.166   4.880   4.723
  510   1HB   LEU  70          HB2       LEU  70   9.204   1.974   5.301
  511   2HB   LEU  70          HB3       LEU  70   8.339   2.282   3.872
  512    HG   LEU  70           HG       LEU  70  10.465   1.902   3.110
  513   1HD1  LEU  70          HD11      LEU  70  10.847   4.889   3.333
  514   2HD1  LEU  70          HD12      LEU  70  11.141   3.806   1.966
  515   3HD1  LEU  70          HD13      LEU  70   9.476   4.240   2.421
  516   1HD2  LEU  70          HD21      LEU  70  11.554   3.611   5.377
  517   2HD2  LEU  70          HD22      LEU  70  11.638   1.841   5.213
  518   3HD2  LEU  70          HD23      LEU  70  12.535   2.874   4.088
  519    H    SER  71           H        SER  71   6.462   3.090   6.111
  520    HA   SER  71           HA       SER  71   4.563   3.457   4.013
  521   1HB   SER  71          HB2       SER  71   4.603   2.038   6.343
  522   2HB   SER  71          HB3       SER  71   3.647   3.432   6.878
  523    HG   SER  71           HG       SER  71   2.424   1.679   5.981
  524    H    LYS  72           H        LYS  72   5.597   5.563   6.671
  525    HA   LYS  72           HA       LYS  72   3.469   7.496   6.370
  526   1HB   LYS  72          HB2       LYS  72   6.341   8.167   7.152
  527   2HB   LYS  72          HB3       LYS  72   4.865   9.057   7.516
  528   1HG   LYS  72          HG2       LYS  72   4.090   7.150   8.899
  529   2HG   LYS  72          HG3       LYS  72   5.612   6.303   8.585
  530   1HD   LYS  72          HD2       LYS  72   6.878   8.270   9.447
  531   2HD   LYS  72          HD3       LYS  72   5.356   9.043   9.932
  532   1HE   LYS  72          HE2       LYS  72   4.939   7.297  11.601
  533   2HE   LYS  72          HE3       LYS  72   6.222   6.288  10.911
  534   1HZ   LYS  72          HZ1       LYS  72   7.297   7.168  12.633
  535   2HZ   LYS  72          HZ2       LYS  72   7.780   8.077  11.463
  536   3HZ   LYS  72          HZ3       LYS  72   6.645   8.719  12.511
  537    H    THR  73           H        THR  73   6.772   7.332   5.066
  538    HA   THR  73           HA       THR  73   6.339   9.681   3.433
  539    HB   THR  73           HB       THR  73   8.579   8.907   4.176
  540    HG1  THR  73           HG1      THR  73   9.519   9.775   2.320
  541   1HG2  THR  73          HG21      THR  73   8.368   7.035   1.776
  542   2HG2  THR  73          HG22      THR  73   9.882   7.514   2.567
  543   3HG2  THR  73          HG23      THR  73   8.675   6.614   3.474
  544    H    PHE  74           H        PHE  74   5.614   6.278   2.861
  545    HA   PHE  74           HA       PHE  74   5.031   6.615   0.043
  546   1HB   PHE  74          HB2       PHE  74   3.928   4.598   2.013
  547   2HB   PHE  74          HB3       PHE  74   3.861   4.482   0.267
  548    HD1  PHE  74           HD1      PHE  74   6.984   5.484   0.059
  549    HD2  PHE  74           HD2      PHE  74   4.760   2.315   1.933
  550    HE1  PHE  74           HE1      PHE  74   8.946   3.990  -0.124
  551    HE2  PHE  74           HE2      PHE  74   6.619   0.755   1.468
  552    HZ   PHE  74           HZ       PHE  74   8.813   1.653   0.767
  553    H    ILE  75           H        ILE  75   3.255   7.596   2.892
  554    HA   ILE  75           HA       ILE  75   0.626   7.399   1.885
  555    HB   ILE  75           HB       ILE  75   1.826   9.515   3.683
  556   1HG1  ILE  75          HG12      ILE  75  -0.170   7.277   4.229
  557   2HG1  ILE  75          HG13      ILE  75   1.560   7.062   4.319
  558   1HG2  ILE  75          HG21      ILE  75  -1.098   9.118   2.888
  559   2HG2  ILE  75          HG22      ILE  75  -0.543  10.145   4.223
  560   3HG2  ILE  75          HG23      ILE  75  -0.122  10.569   2.575
  561   1HD1  ILE  75          HD11      ILE  75  -0.074   8.959   6.051
  562   2HD1  ILE  75          HD12      ILE  75   0.770   7.487   6.556
  563   3HD1  ILE  75          HD13      ILE  75   1.694   8.910   6.026
  564    H    ILE  76           H        ILE  76  -0.188   8.039   0.019
  565    HA   ILE  76           HA       ILE  76   0.754  10.588  -1.294
  566    HB   ILE  76           HB       ILE  76  -0.399   9.605  -3.304
  567   1HG1  ILE  76          HG12      ILE  76  -0.182   6.874  -2.087
  568   2HG1  ILE  76          HG13      ILE  76  -1.586   7.826  -1.629
  569   1HG2  ILE  76          HG21      ILE  76   1.939   7.979  -2.241
  570   2HG2  ILE  76          HG22      ILE  76   1.443   8.166  -3.938
  571   3HG2  ILE  76          HG23      ILE  76   2.047   9.562  -3.034
  572   1HD1  ILE  76          HD11      ILE  76  -1.913   6.312  -3.614
  573   2HD1  ILE  76          HD12      ILE  76  -2.424   7.990  -3.792
  574   3HD1  ILE  76          HD13      ILE  76  -0.908   7.453  -4.543
  575    H    GLY  77           H        GLY  77  -1.787   9.309   0.600
  576   1HA   GLY  77          HA1       GLY  77  -4.057  10.786  -0.750
  577   2HA   GLY  77          HA2       GLY  77  -3.739   9.077  -1.012
  578    H    GLU  78           H        GLU  78  -6.079   9.831  -0.009
  579    HA   GLU  78           HA       GLU  78  -5.952   8.098   2.296
  580   1HB   GLU  78          HB2       GLU  78  -7.668  10.646   2.114
  581   2HB   GLU  78          HB3       GLU  78  -7.755   9.438   3.408
  582   1HG   GLU  78          HG2       GLU  78  -6.541  11.119   4.410
  583   2HG   GLU  78          HG3       GLU  78  -5.293   9.984   3.857
  584    H    LEU  79           H        LEU  79  -8.010   7.076   2.604
  585    HA   LEU  79           HA       LEU  79  -9.225   6.505  -0.015
  586   1HB   LEU  79          HB2       LEU  79  -8.519   4.590   1.244
  587   2HB   LEU  79          HB3       LEU  79  -9.511   5.053   2.615
  588    HG   LEU  79           HG       LEU  79 -10.208   3.310   0.550
  589   1HD1  LEU  79          HD11      LEU  79 -11.973   4.893   2.422
  590   2HD1  LEU  79          HD12      LEU  79 -12.542   3.481   1.514
  591   3HD1  LEU  79          HD13      LEU  79 -11.249   3.272   2.715
  592   1HD2  LEU  79          HD21      LEU  79 -10.759   5.351  -0.963
  593   2HD2  LEU  79          HD22      LEU  79 -11.940   4.069  -0.733
  594   3HD2  LEU  79          HD23      LEU  79 -12.131   5.566   0.166
  595    H    HIS  80           H        HIS  80 -10.878   7.641  -0.554
  596    HA   HIS  80           HA       HIS  80 -11.815   9.743   0.544
  597   1HB   HIS  80          HB2       HIS  80 -11.921   9.023  -1.714
  598   2HB   HIS  80          HB3       HIS  80 -13.268   7.987  -1.349
  599    HD1  HIS  80           HD1      HIS  80 -15.492   9.255  -1.881
  600    HD2  HIS  80           HD2      HIS  80 -12.099  11.634  -1.149
  601    HE1  HIS  80           HE1      HIS  80 -16.246  11.736  -2.216
  602    HA   PRO  81           HA       PRO  81 -14.766   9.074   3.571
  603   1HB   PRO  81          HB2       PRO  81 -16.255  11.577   2.638
  604   2HB   PRO  81          HB3       PRO  81 -15.699  11.208   4.269
  605   1HG   PRO  81          HG2       PRO  81 -14.333  12.969   2.635
  606   2HG   PRO  81          HG3       PRO  81 -13.379  11.757   3.558
  607   1HD   PRO  81          HD2       PRO  81 -14.486  11.573   0.767
  608   2HD   PRO  81          HD3       PRO  81 -12.782  11.411   1.290
  609    H    ASP  82           H        ASP  82 -16.297   9.872   0.484
  610    HA   ASP  82           HA       ASP  82 -18.929   9.188   1.401
  611   1HB   ASP  82          HB2       ASP  82 -18.470  10.436  -0.727
  612   2HB   ASP  82          HB3       ASP  82 -17.860   8.931  -1.452
  613    H    ASP  83           H        ASP  83 -16.335   7.506  -0.140
  614    HA   ASP  83           HA       ASP  83 -16.871   4.837  -0.308
  615   1HB   ASP  83          HB2       ASP  83 -14.531   6.655   0.270
  616   2HB   ASP  83          HB3       ASP  83 -14.230   5.019  -0.258
  617    H    ARG  84           H        ARG  84 -14.271   5.431   1.833
  618    HA   ARG  84           HA       ARG  84 -13.567   4.409   3.736
  619   1HB   ARG  84          HB2       ARG  84 -16.384   4.597   4.649
  620   2HB   ARG  84          HB3       ARG  84 -15.012   4.219   5.676
  621   1HG   ARG  84          HG2       ARG  84 -13.956   6.309   5.378
  622   2HG   ARG  84          HG3       ARG  84 -15.064   6.806   4.106
  623   1HD   ARG  84          HD2       ARG  84 -16.079   6.149   6.925
  624   2HD   ARG  84          HD3       ARG  84 -15.512   7.757   6.468
  625    HE   ARG  84           HE       ARG  84 -17.163   8.008   4.843
  626   1HH1  ARG  84          HH22      ARG  84 -17.921   5.051   6.625
  627   2HH1  ARG  84          HH21      ARG  84 -19.146   4.571   5.484
  628   1HH2  ARG  84          HH11      ARG  84 -18.504   7.352   3.373
  629   2HH2  ARG  84          HH12      ARG  84 -19.361   5.876   3.439
  630    HHA  HEM 201           HGM      HEM 201   9.407  -8.778   5.372
  631    HHB  HEM 201           HDM      HEM 201   9.094  -2.426   4.388
  632    HHC  HEM 201           HAM      HEM 201   2.836  -2.975   3.014
  633    HHD  HEM 201           HBM      HEM 201   3.345  -9.417   3.265
  634   1HMA  HEM 201          HM81      HEM 201  11.348  -3.209   4.319
  635   2HMA  HEM 201          HM82      HEM 201  11.199  -3.229   6.091
  636   3HMA  HEM 201          HM83      HEM 201  12.271  -4.368   5.261
  637   1HAA  HEM 201          HP71      HEM 201  11.358  -7.861   6.021
  638   2HAA  HEM 201          HP72      HEM 201  12.128  -6.245   6.377
  639   1HBA  HEM 201          HP73      HEM 201  11.466  -7.417   8.415
  640   2HBA  HEM 201          HP74      HEM 201   9.725  -7.416   7.835
  641   1HMB  HEM 201          HM11      HEM 201   8.071  -0.266   2.908
  642   2HMB  HEM 201          HM12      HEM 201   6.705   0.490   3.772
  643   3HMB  HEM 201          HM13      HEM 201   7.932  -0.379   4.659
  644    HAB  HEM 201          HV2T      HEM 201   2.821   0.527   3.090
  645   1HBB  HEM 201          HT2A      HEM 201   3.793  -1.164   1.790
  646   2HBB  HEM 201          HV2C      HEM 201   4.521   0.884   3.837
  647   1HMC  HEM 201          HM31      HEM 201   0.123  -4.900   3.849
  648   2HMC  HEM 201          HM32      HEM 201   0.834  -3.784   2.667
  649   3HMC  HEM 201          HM33      HEM 201   0.109  -5.300   2.119
  650    HAC  HEM 201          HT4A      HEM 201   0.080  -7.778   2.962
  651   1HBC  HEM 201          HV4C      HEM 201   2.243  -8.618   0.983
  652   2HBC  HEM 201          HV4T      HEM 201   0.398  -8.814   0.822
  653   1HMD  HEM 201          HM51      HEM 201   5.835 -11.950   2.741
  654   2HMD  HEM 201          HM52      HEM 201   5.259 -12.204   4.396
  655   3HMD  HEM 201          HM53      HEM 201   4.227 -11.402   3.204
  656   1HAD  HEM 201          HP61      HEM 201   7.773 -12.115   4.346
  657   2HAD  HEM 201          HP62      HEM 201   9.083 -10.857   4.168
  658   1HBD  HEM 201          HP63      HEM 201   8.387 -10.385   6.737
  659   2HBD  HEM 201          HP64      HEM 201   7.896 -12.145   6.609
  Start of MODEL    2
    1   1H    ALA   3          H1        ALA   3  -5.638  21.417   1.244
    2   2H    ALA   3          H2        ALA   3  -6.754  21.578   0.070
    3   3H    ALA   3          H3        ALA   3  -6.988  22.370   1.515
    4    HA   ALA   3           HA       ALA   3  -7.330  20.379   2.674
    5   1HB   ALA   3          HB1       ALA   3  -9.191  19.307   1.474
    6   2HB   ALA   3          HB2       ALA   3  -9.274  21.054   1.221
    7   3HB   ALA   3          HB3       ALA   3  -8.643  20.002  -0.064
    8    H    VAL   4           H        VAL   4  -7.785  17.779   1.643
    9    HA   VAL   4           HA       VAL   4  -5.100  16.863   0.838
   10    HB   VAL   4           HB       VAL   4  -7.188  14.822   0.624
   11   1HG1  VAL   4          HG11      VAL   4  -4.757  14.420   0.942
   12   2HG1  VAL   4          HG12      VAL   4  -4.875  15.121   2.572
   13   3HG1  VAL   4          HG13      VAL   4  -5.753  13.628   2.176
   14   1HG2  VAL   4          HG21      VAL   4  -7.810  14.608   2.951
   15   2HG2  VAL   4          HG22      VAL   4  -7.157  16.219   3.297
   16   3HG2  VAL   4          HG23      VAL   4  -8.524  16.020   2.152
   17    H    LYS   5           H        LYS   5  -5.822  14.910  -0.992
   18    HA   LYS   5           HA       LYS   5  -7.246  16.325  -3.180
   19   1HB   LYS   5          HB2       LYS   5  -4.878  15.952  -3.780
   20   2HB   LYS   5          HB3       LYS   5  -5.001  14.248  -3.373
   21   1HG   LYS   5          HG2       LYS   5  -6.438  15.643  -5.697
   22   2HG   LYS   5          HG3       LYS   5  -4.962  14.665  -5.795
   23   1HD   LYS   5          HD2       LYS   5  -6.356  12.848  -4.611
   24   2HD   LYS   5          HD3       LYS   5  -7.777  13.766  -5.196
   25   1HE   LYS   5          HE2       LYS   5  -6.993  13.364  -7.536
   26   2HE   LYS   5          HE3       LYS   5  -5.641  12.425  -6.877
   27   1HZ   LYS   5          HZ1       LYS   5  -8.489  11.695  -6.898
   28   2HZ   LYS   5          HZ2       LYS   5  -7.212  10.743  -7.186
   29   3HZ   LYS   5          HZ3       LYS   5  -7.610  11.198  -5.661
   30    H    TYR   6           H        TYR   6  -6.406  13.224  -1.668
   31    HA   TYR   6           HA       TYR   6  -7.585  11.428  -1.023
   32   1HB   TYR   6          HB2       TYR   6 -10.161  13.085  -1.538
   33   2HB   TYR   6          HB3       TYR   6 -10.032  11.407  -1.229
   34    HD1  TYR   6           HD1      TYR   6 -10.080  14.568   0.511
   35    HD2  TYR   6           HD2      TYR   6  -9.505  10.318   0.641
   36    HE1  TYR   6           HE1      TYR   6 -10.614  14.550   2.945
   37    HE2  TYR   6           HE2      TYR   6 -10.046  10.259   2.961
   38    HH   TYR   6           HH       TYR   6  -9.767  11.873   4.901
   39    H    TYR   7           H        TYR   7  -8.584   9.698  -1.578
   40    HA   TYR   7           HA       TYR   7  -8.342   9.128  -4.447
   41   1HB   TYR   7          HB2       TYR   7  -6.955   8.384  -1.910
   42   2HB   TYR   7          HB3       TYR   7  -6.961   7.314  -3.194
   43    HD1  TYR   7           HD1      TYR   7  -5.692  10.389  -1.801
   44    HD2  TYR   7           HD2      TYR   7  -6.258   8.571  -5.598
   45    HE1  TYR   7           HE1      TYR   7  -3.995  11.914  -2.756
   46    HE2  TYR   7           HE2      TYR   7  -4.536  10.059  -6.589
   47    HH   TYR   7           HH       TYR   7  -2.675  12.370  -4.616
   48    H    THR   8           H        THR   8 -10.101   8.216  -5.032
   49    HA   THR   8           HA       THR   8 -12.011   7.178  -3.035
   50    HB   THR   8           HB       THR   8 -13.539   6.866  -4.948
   51    HG1  THR   8           HG1      THR   8 -12.653   7.803  -6.973
   52   1HG2  THR   8          HG21      THR   8 -13.745   9.236  -5.631
   53   2HG2  THR   8          HG22      THR   8 -13.461   9.090  -3.896
   54   3HG2  THR   8          HG23      THR   8 -12.133   9.584  -4.975
   55    H    LEU   9           H        LEU   9 -12.862   4.952  -3.153
   56    HA   LEU   9           HA       LEU   9 -10.900   2.922  -3.530
   57   1HB   LEU   9          HB2       LEU   9 -12.452   2.365  -2.147
   58   2HB   LEU   9          HB3       LEU   9 -13.827   2.966  -3.075
   59    HG   LEU   9           HG       LEU   9 -12.219   0.481  -3.855
   60   1HD1  LEU   9          HD11      LEU   9 -14.662   0.639  -2.048
   61   2HD1  LEU   9          HD12      LEU   9 -13.920  -0.855  -2.662
   62   3HD1  LEU   9          HD13      LEU   9 -13.018   0.186  -1.552
   63   1HD2  LEU   9          HD21      LEU   9 -14.435  -0.197  -4.883
   64   2HD2  LEU   9          HD22      LEU   9 -15.074   1.405  -4.482
   65   3HD2  LEU   9          HD23      LEU   9 -13.758   1.224  -5.659
   66    H    GLU  10           H        GLU  10 -13.299   4.257  -5.764
   67    HA   GLU  10           HA       GLU  10 -13.011   2.682  -8.007
   68   1HB   GLU  10          HB2       GLU  10 -14.396   4.739  -7.845
   69   2HB   GLU  10          HB3       GLU  10 -12.951   5.730  -7.936
   70   1HG   GLU  10          HG2       GLU  10 -14.043   5.676 -10.091
   71   2HG   GLU  10          HG3       GLU  10 -12.457   4.912 -10.202
   72    H    GLU  11           H        GLU  11 -10.855   5.415  -7.094
   73    HA   GLU  11           HA       GLU  11  -8.876   4.895  -9.147
   74   1HB   GLU  11          HB2       GLU  11  -8.534   6.254  -6.394
   75   2HB   GLU  11          HB3       GLU  11  -7.372   6.236  -7.700
   76   1HG   GLU  11          HG2       GLU  11  -9.031   7.564  -9.093
   77   2HG   GLU  11          HG3       GLU  11 -10.155   7.497  -7.718
   78    H    ILE  12           H        ILE  12  -9.120   4.071  -5.682
   79    HA   ILE  12           HA       ILE  12  -6.502   3.256  -5.601
   80    HB   ILE  12           HB       ILE  12  -8.841   2.509  -3.795
   81   1HG1  ILE  12          HG12      ILE  12  -6.523   4.310  -3.034
   82   2HG1  ILE  12          HG13      ILE  12  -7.848   4.967  -3.996
   83   1HG2  ILE  12          HG21      ILE  12  -7.098   1.899  -2.058
   84   2HG2  ILE  12          HG22      ILE  12  -7.346   0.767  -3.378
   85   3HG2  ILE  12          HG23      ILE  12  -5.927   1.851  -3.393
   86   1HD1  ILE  12          HD11      ILE  12  -8.209   5.396  -1.635
   87   2HD1  ILE  12          HD12      ILE  12  -9.463   4.303  -2.233
   88   3HD1  ILE  12          HD13      ILE  12  -8.130   3.676  -1.242
   89    H    GLN  13           H        GLU  13  -9.370   1.358  -6.354
   90    HA   GLN  13           HA       GLU  13  -8.231  -1.304  -6.158
   91   1HB   GLN  13          HB2       GLU  13 -10.322  -0.036  -7.999
   92   2HB   GLN  13          HB3       GLU  13  -9.930  -1.758  -8.079
   93   1HG   GLN  13          HG2       GLU  13 -10.847  -2.093  -5.849
   94   2HG   GLN  13          HG3       GLU  13 -11.201  -0.363  -5.715
   95    H    LYS  14           H        LYS  14  -8.674   1.053  -8.627
   96    HA   LYS  14           HA       LYS  14  -7.724  -0.143 -10.961
   97   1HB   LYS  14          HB2       LYS  14  -8.734   2.369  -9.989
   98   2HB   LYS  14          HB3       LYS  14  -7.240   2.746 -10.663
   99   1HG   LYS  14          HG2       LYS  14  -8.646   3.010 -12.451
  100   2HG   LYS  14          HG3       LYS  14  -8.376   1.278 -12.736
  101   1HD   LYS  14          HD2       LYS  14 -10.678   2.693 -11.301
  102   2HD   LYS  14          HD3       LYS  14 -10.787   1.891 -12.847
  103   1HE   LYS  14          HE2       LYS  14 -11.202  -0.146 -11.931
  104   2HE   LYS  14          HE3       LYS  14  -9.961   0.018 -10.693
  105   1HZ   LYS  14          HZ1       LYS  14 -12.617   1.278 -10.544
  106   2HZ   LYS  14          HZ2       LYS  14 -12.132  -0.038  -9.643
  107   3HZ   LYS  14          HZ3       LYS  14 -11.437   1.430  -9.458
  108    H    HIS  15           H        HIS  15  -6.016   1.930  -8.582
  109    HA   HIS  15           HA       HIS  15  -3.413   1.516  -9.834
  110   1HB   HIS  15          HB2       HIS  15  -4.332   2.811  -7.267
  111   2HB   HIS  15          HB3       HIS  15  -2.627   2.511  -7.675
  112    HD1  HIS  15           HD1      HIS  15  -1.482   4.476  -8.763
  113    HD2  HIS  15           HD2      HIS  15  -5.572   4.174  -9.706
  114    HE1  HIS  15           HE1      HIS  15  -1.995   6.344 -10.417
  115    H    ASN  16           H        ASN  16  -3.903  -0.814  -9.877
  116    HA   ASN  16           HA       ASN  16  -1.800  -1.876  -8.155
  117   1HB   ASN  16          HB2       ASN  16  -2.873  -3.808  -7.313
  118   2HB   ASN  16          HB3       ASN  16  -3.822  -2.402  -6.841
  119   1HD2  ASN  16          HD21      ASN  16  -5.442  -4.186  -6.407
  120   2HD2  ASN  16          HD22      ASN  16  -6.524  -4.549  -7.738
  121    H    ASN  17           H        ASN  17  -2.330  -1.187 -11.040
  122    HA   ASN  17           HA       ASN  17  -1.990  -3.877 -12.312
  123   1HB   ASN  17          HB2       ASN  17  -3.671  -3.330 -13.893
  124   2HB   ASN  17          HB3       ASN  17  -4.356  -3.056 -12.286
  125   1HD2  ASN  17          HD21      ASN  17  -5.625  -1.893 -14.435
  126   2HD2  ASN  17          HD22      ASN  17  -5.331  -0.162 -14.416
  127    H    SER  18           H        SER  18   0.086  -1.856 -11.824
  128    HA   SER  18           HA       SER  18   2.040  -1.425 -12.927
  129   1HB   SER  18          HB2       SER  18   1.677  -3.360 -14.430
  130   2HB   SER  18          HB3       SER  18   0.760  -2.325 -15.548
  131    HG   SER  18           HG       SER  18   2.562  -1.010 -15.750
  132    H    LYS  19           H        LYS  19   0.626   0.421 -12.088
  133    HA   LYS  19           HA       LYS  19   0.653   2.705 -13.977
  134   1HB   LYS  19          HB2       LYS  19  -1.670   1.487 -12.421
  135   2HB   LYS  19          HB3       LYS  19  -1.635   3.201 -12.630
  136   1HG   LYS  19          HG2       LYS  19  -1.650   1.105 -14.856
  137   2HG   LYS  19          HG3       LYS  19  -3.027   2.061 -14.319
  138   1HD   LYS  19          HD2       LYS  19  -0.557   3.049 -15.805
  139   2HD   LYS  19          HD3       LYS  19  -2.230   3.000 -16.361
  140   1HE   LYS  19          HE2       LYS  19  -2.840   4.645 -14.515
  141   2HE   LYS  19          HE3       LYS  19  -1.113   4.788 -14.134
  142   1HZ   LYS  19          HZ1       LYS  19  -1.832   6.538 -15.548
  143   2HZ   LYS  19          HZ2       LYS  19  -0.737   5.605 -16.342
  144   3HZ   LYS  19          HZ3       LYS  19  -2.340   5.491 -16.708
  145    H    SER  20           H        SER  20  -0.361   1.710 -10.692
  146    HA   SER  20           HA       SER  20   2.068   2.191  -9.560
  147   1HB   SER  20          HB2       SER  20   0.383   3.801  -7.851
  148   2HB   SER  20          HB3       SER  20   1.948   4.206  -8.534
  149    HG   SER  20           HG       SER  20   0.869   4.848 -10.448
  150    H    THR  21           H        THR  21   1.781   1.408  -7.296
  151    HA   THR  21           HA       THR  21  -0.557  -0.444  -7.057
  152    HB   THR  21           HB       THR  21   2.301  -0.921  -6.198
  153    HG1  THR  21           HG1      THR  21   2.058  -0.821  -8.442
  154   1HG2  THR  21          HG21      THR  21  -0.156  -2.729  -6.394
  155   2HG2  THR  21          HG22      THR  21   1.482  -3.312  -6.089
  156   3HG2  THR  21          HG23      THR  21   0.698  -2.256  -4.900
  157    H    TRP  22           H        TRP  22  -1.857   0.375  -5.650
  158    HA   TRP  22           HA       TRP  22  -0.969   2.098  -3.402
  159   1HB   TRP  22          HB2       TRP  22  -3.393   1.815  -5.180
  160   2HB   TRP  22          HB3       TRP  22  -3.554   2.618  -3.680
  161    HD1  TRP  22           HD1      TRP  22  -0.224   3.307  -5.261
  162    HE1  TRP  22           HE1      TRP  22  -0.143   5.513  -6.433
  163    HE3  TRP  22           HE3      TRP  22  -5.100   4.532  -4.743
  164    HZ2  TRP  22           HZ2      TRP  22  -2.159   7.475  -7.443
  165    HZ3  TRP  22           HZ3      TRP  22  -6.074   6.420  -5.975
  166    HH2  TRP  22           HH2      TRP  22  -4.647   7.823  -7.462
  167    H    LEU  23           H        LEU  23  -1.782   1.698  -1.267
  168    HA   LEU  23           HA       LEU  23  -3.897  -0.316  -0.988
  169   1HB   LEU  23          HB2       LEU  23  -2.139  -1.060   1.110
  170   2HB   LEU  23          HB3       LEU  23  -2.687  -1.994  -0.235
  171    HG   LEU  23           HG       LEU  23  -0.668  -1.024  -1.562
  172   1HD1  LEU  23          HD11      LEU  23   1.060  -0.163  -0.275
  173   2HD1  LEU  23          HD12      LEU  23  -0.377   0.608   0.368
  174   3HD1  LEU  23          HD13      LEU  23   0.357  -0.739   1.270
  175   1HD2  LEU  23          HD21      LEU  23  -0.278  -3.003   0.710
  176   2HD2  LEU  23          HD22      LEU  23  -0.887  -3.393  -0.911
  177   3HD2  LEU  23          HD23      LEU  23   0.764  -2.786  -0.718
  178    H    ILE  24           H        ILE  24  -4.837  -0.328   1.174
  179    HA   ILE  24           HA       ILE  24  -4.460   2.293   2.544
  180    HB   ILE  24           HB       ILE  24  -6.700   0.322   3.095
  181   1HG1  ILE  24          HG12      ILE  24  -6.954   2.546   1.026
  182   2HG1  ILE  24          HG13      ILE  24  -6.779   0.840   0.606
  183   1HG2  ILE  24          HG21      ILE  24  -7.861   2.200   4.002
  184   2HG2  ILE  24          HG22      ILE  24  -6.213   2.248   4.626
  185   3HG2  ILE  24          HG23      ILE  24  -6.688   3.337   3.304
  186   1HD1  ILE  24          HD11      ILE  24  -9.102   1.993   2.159
  187   2HD1  ILE  24          HD12      ILE  24  -9.091   1.382   0.498
  188   3HD1  ILE  24          HD13      ILE  24  -8.817   0.266   1.849
  189    H    LEU  25           H        LEU  25  -3.512   2.443   4.372
  190    HA   LEU  25           HA       LEU  25  -3.180   0.076   6.176
  191   1HB   LEU  25          HB2       LEU  25  -1.099   1.839   5.007
  192   2HB   LEU  25          HB3       LEU  25  -0.924   1.364   6.692
  193    HG   LEU  25           HG       LEU  25  -0.945  -0.989   6.084
  194   1HD1  LEU  25          HD11      LEU  25  -2.087  -1.284   4.114
  195   2HD1  LEU  25          HD12      LEU  25  -1.227   0.028   3.254
  196   3HD1  LEU  25          HD13      LEU  25  -0.422  -1.517   3.611
  197   1HD2  LEU  25          HD21      LEU  25   1.184   0.284   6.287
  198   2HD2  LEU  25          HD22      LEU  25   1.326  -0.998   5.071
  199   3HD2  LEU  25          HD23      LEU  25   1.100   0.691   4.561
  200    H    HIS  26           H        HIS  26  -4.824   0.916   7.517
  201    HA   HIS  26           HA       HIS  26  -5.757   2.249   9.137
  202   1HB   HIS  26          HB2       HIS  26  -3.303   4.027   9.223
  203   2HB   HIS  26          HB3       HIS  26  -4.473   3.688  10.475
  204    HD1  HIS  26           HD1      HIS  26  -4.006   1.428  11.924
  205    HD2  HIS  26           HD2      HIS  26  -1.164   2.463   8.996
  206    HE1  HIS  26           HE1      HIS  26  -1.857   0.237  12.548
  207    H    TYR  27           H        TYR  27  -6.566   2.663   6.693
  208    HA   TYR  27           HA       TYR  27  -8.041   4.018   5.698
  209   1HB   TYR  27          HB2       TYR  27  -8.499   4.694   8.071
  210   2HB   TYR  27          HB3       TYR  27  -7.471   6.106   7.828
  211    HD1  TYR  27           HD1      TYR  27  -8.130   7.947   6.463
  212    HD2  TYR  27           HD2      TYR  27 -10.550   4.419   6.729
  213    HE1  TYR  27           HE1      TYR  27  -9.982   9.139   5.279
  214    HE2  TYR  27           HE2      TYR  27 -12.446   5.621   5.649
  215    HH   TYR  27           HH       TYR  27 -12.010   8.280   3.820
  216    H    LYS  28           H        LYS  28  -5.043   5.686   6.540
  217    HA   LYS  28           HA       LYS  28  -4.929   7.468   4.278
  218   1HB   LYS  28          HB2       LYS  28  -2.894   6.213   6.117
  219   2HB   LYS  28          HB3       LYS  28  -2.377   7.199   4.735
  220   1HG   LYS  28          HG2       LYS  28  -4.322   8.167   6.858
  221   2HG   LYS  28          HG3       LYS  28  -2.559   8.239   7.034
  222   1HD   LYS  28          HD2       LYS  28  -2.270   9.694   5.168
  223   2HD   LYS  28          HD3       LYS  28  -3.943   9.510   4.673
  224   1HE   LYS  28          HE2       LYS  28  -4.613  10.513   6.962
  225   2HE   LYS  28          HE3       LYS  28  -2.896  10.899   7.184
  226   1HZ   LYS  28          HZ1       LYS  28  -4.772  11.932   5.160
  227   2HZ   LYS  28          HZ2       LYS  28  -4.038  12.767   6.321
  228   3HZ   LYS  28          HZ3       LYS  28  -3.139  12.198   5.055
  229    H    VAL  29           H        VAL  29  -3.455   7.127   2.470
  230    HA   VAL  29           HA       VAL  29  -3.624   4.361   1.355
  231    HB   VAL  29           HB       VAL  29  -4.264   6.978  -0.014
  232   1HG1  VAL  29          HG11      VAL  29  -4.586   5.697  -2.068
  233   2HG1  VAL  29          HG12      VAL  29  -2.891   5.615  -1.575
  234   3HG1  VAL  29          HG13      VAL  29  -3.952   4.228  -1.290
  235   1HG2  VAL  29          HG21      VAL  29  -5.842   4.382   0.096
  236   2HG2  VAL  29          HG22      VAL  29  -6.062   5.654   1.302
  237   3HG2  VAL  29          HG23      VAL  29  -6.391   5.989  -0.418
  238    H    TYR  30           H        TYR  30  -1.911   3.625   0.292
  239    HA   TYR  30           HA       TYR  30   0.664   5.079   0.673
  240   1HB   TYR  30          HB2       TYR  30  -0.504   2.389   1.384
  241   2HB   TYR  30          HB3       TYR  30   1.206   2.527   1.315
  242    HD1  TYR  30           HD1      TYR  30   2.271   3.900   3.246
  243    HD2  TYR  30           HD2      TYR  30  -1.986   3.444   2.879
  244    HE1  TYR  30           HE1      TYR  30   1.930   4.926   5.513
  245    HE2  TYR  30           HE2      TYR  30  -2.284   4.478   5.074
  246    HH   TYR  30           HH       TYR  30   0.450   5.557   7.103
  247    H    ASP  31           H        ASP  31   1.708   5.254  -1.305
  248    HA   ASP  31           HA       ASP  31   1.124   3.240  -3.440
  249   1HB   ASP  31          HB2       ASP  31   1.066   5.776  -3.924
  250   2HB   ASP  31          HB3       ASP  31   2.845   5.696  -3.707
  251    H    LEU  32           H        LEU  32   2.724   1.772  -3.904
  252    HA   LEU  32           HA       LEU  32   5.376   2.256  -2.578
  253   1HB   LEU  32          HB2       LEU  32   4.584  -0.585  -3.090
  254   2HB   LEU  32          HB3       LEU  32   5.578   0.142  -1.809
  255    HG   LEU  32           HG       LEU  32   2.602   0.301  -1.891
  256   1HD1  LEU  32          HD11      LEU  32   2.817  -1.350   0.039
  257   2HD1  LEU  32          HD12      LEU  32   3.211  -1.984  -1.567
  258   3HD1  LEU  32          HD13      LEU  32   4.508  -1.534  -0.407
  259   1HD2  LEU  32          HD21      LEU  32   4.627   0.793   0.322
  260   2HD2  LEU  32          HD22      LEU  32   3.791   2.108  -0.522
  261   3HD2  LEU  32          HD23      LEU  32   2.867   0.989   0.490
  262    H    THR  33           H        THR  33   3.874   0.504  -5.271
  263    HA   THR  33           HA       THR  33   4.794  -0.435  -7.143
  264    HB   THR  33           HB       THR  33   5.424   2.548  -7.529
  265    HG1  THR  33           HG1      THR  33   3.407   2.554  -6.763
  266   1HG2  THR  33          HG21      THR  33   6.049   1.105  -9.469
  267   2HG2  THR  33          HG22      THR  33   4.421   0.390  -9.454
  268   3HG2  THR  33          HG23      THR  33   4.639   2.111  -9.836
  269    H    LYS  34           H        LYS  34   7.440   2.068  -6.759
  270    HA   LYS  34           HA       LYS  34   9.326   0.277  -7.987
  271   1HB   LYS  34          HB2       LYS  34   9.565   2.759  -7.782
  272   2HB   LYS  34          HB3       LYS  34   9.920   2.581  -6.061
  273   1HG   LYS  34          HG2       LYS  34  11.496   1.113  -8.218
  274   2HG   LYS  34          HG3       LYS  34  11.857   2.785  -7.822
  275   1HD   LYS  34          HD2       LYS  34  12.989   2.281  -5.949
  276   2HD   LYS  34          HD3       LYS  34  11.793   1.122  -5.380
  277   1HE   LYS  34          HE2       LYS  34  12.650  -0.586  -6.955
  278   2HE   LYS  34          HE3       LYS  34  13.863   0.533  -7.566
  279   1HZ   LYS  34          HZ1       LYS  34  14.963   0.466  -5.493
  280   2HZ   LYS  34          HZ2       LYS  34  13.753  -0.271  -4.711
  281   3HZ   LYS  34          HZ3       LYS  34  14.592  -1.089  -5.886
  282    H    PHE  35           H        PHE  35   7.998   0.557  -4.776
  283    HA   PHE  35           HA       PHE  35  10.194  -0.620  -3.325
  284   1HB   PHE  35          HB2       PHE  35   8.236   0.841  -2.401
  285   2HB   PHE  35          HB3       PHE  35   7.274  -0.654  -2.590
  286    HD1  PHE  35           HD1      PHE  35   6.957  -1.829  -0.583
  287    HD2  PHE  35           HD2      PHE  35  10.697   0.257  -1.202
  288    HE1  PHE  35           HE1      PHE  35   7.868  -2.842   1.448
  289    HE2  PHE  35           HE2      PHE  35  11.637  -0.841   0.776
  290    HZ   PHE  35           HZ       PHE  35  10.265  -2.451   2.089
  291    H    LEU  36           H        LEU  36   7.571  -1.808  -5.278
  292    HA   LEU  36           HA       LEU  36   7.058  -4.369  -4.208
  293   1HB   LEU  36          HB2       LEU  36   7.179  -3.336  -7.084
  294   2HB   LEU  36          HB3       LEU  36   6.445  -4.792  -6.607
  295    HG   LEU  36           HG       LEU  36   5.351  -2.141  -5.782
  296   1HD1  LEU  36          HD11      LEU  36   3.498  -3.026  -7.259
  297   2HD1  LEU  36          HD12      LEU  36   5.019  -2.822  -8.149
  298   3HD1  LEU  36          HD13      LEU  36   4.503  -4.435  -7.630
  299   1HD2  LEU  36          HD21      LEU  36   4.970  -3.645  -3.954
  300   2HD2  LEU  36          HD22      LEU  36   3.475  -3.470  -4.864
  301   3HD2  LEU  36          HD23      LEU  36   4.444  -4.945  -5.051
  302    H    GLU  37           H        GLU  37   9.663  -3.198  -6.298
  303    HA   GLU  37           HA       GLU  37  11.018  -5.630  -6.919
  304   1HB   GLU  37          HB2       GLU  37  11.362  -3.301  -7.887
  305   2HB   GLU  37          HB3       GLU  37  12.041  -2.817  -6.337
  306   1HG   GLU  37          HG2       GLU  37  13.803  -4.673  -6.713
  307   2HG   GLU  37          HG3       GLU  37  13.252  -4.638  -8.400
  308    H    GLU  38           H        GLU  38  11.152  -3.374  -4.263
  309    HA   GLU  38           HA       GLU  38  13.663  -4.240  -3.154
  310   1HB   GLU  38          HB2       GLU  38  12.334  -1.914  -3.425
  311   2HB   GLU  38          HB3       GLU  38  11.720  -2.320  -1.832
  312   1HG   GLU  38          HG2       GLU  38  13.958  -2.204  -0.909
  313   2HG   GLU  38          HG3       GLU  38  14.683  -2.153  -2.530
  314    H    HIS  39           HN       HIS  39  10.274  -4.446  -2.325
  315    HA   HIS  39           HA       HIS  39  10.260  -4.915   0.346
  316   1HB   HIS  39          HB2       HIS  39   8.326  -4.375  -1.055
  317   2HB   HIS  39          HB3       HIS  39   8.402  -5.973  -1.807
  318    HD1  HIS  39           HD1      HIS  39   6.325  -7.218  -0.891
  319    HD2  HIS  39           HD2      HIS  39   8.446  -4.984   1.982
  320    HE1  HIS  39           HE1      HIS  39   5.096  -7.505   1.308
  321    HA   PRO  40           HA       PRO  40  12.102  -9.098   0.631
  322   1HB   PRO  40          HB2       PRO  40  10.863  -8.769   3.373
  323   2HB   PRO  40          HB3       PRO  40  12.430  -9.509   2.944
  324   1HG   PRO  40          HG2       PRO  40  12.394  -6.968   3.861
  325   2HG   PRO  40          HG3       PRO  40  13.361  -7.346   2.405
  326   1HD   PRO  40          HD2       PRO  40  10.589  -6.135   2.527
  327   2HD   PRO  40          HD3       PRO  40  12.013  -5.615   1.569
  328    H    GLY  41           H        GLY  41   8.770  -8.239   1.669
  329   1HA   GLY  41          HA1       GLY  41   7.652 -10.878   1.639
  330   2HA   GLY  41          HA2       GLY  41   6.791  -9.371   1.481
  331    H    GLY  42           H        GLY  42   8.815  -8.962  -1.040
  332   1HA   GLY  42          HA1       GLY  42   8.738  -9.449  -3.300
  333   2HA   GLY  42          HA2       GLY  42   7.596 -10.766  -2.993
  334    H    GLU  43           H        GLU  43   7.158  -9.344  -5.136
  335    HA   GLU  43           HA       GLU  43   5.376  -7.084  -4.680
  336   1HB   GLU  43          HB2       GLU  43   6.766  -6.927  -6.514
  337   2HB   GLU  43          HB3       GLU  43   6.400  -8.472  -7.173
  338   1HG   GLU  43          HG2       GLU  43   4.167  -6.472  -6.919
  339   2HG   GLU  43          HG3       GLU  43   5.318  -6.428  -8.281
  340    H    GLU  44           H        GLU  44   4.692 -10.050  -6.568
  341    HA   GLU  44           HA       GLU  44   2.312 -10.410  -6.756
  342   1HB   GLU  44          HB2       GLU  44   3.743 -12.589  -5.141
  343   2HB   GLU  44          HB3       GLU  44   2.287 -12.814  -6.122
  344   1HG   GLU  44          HG2       GLU  44   3.582 -12.126  -8.146
  345   2HG   GLU  44          HG3       GLU  44   5.045 -12.019  -7.154
  346    H    VAL  45           H        VAL  45   3.152 -11.370  -3.365
  347    HA   VAL  45           HA       VAL  45   0.413 -11.394  -2.558
  348    HB   VAL  45           HB       VAL  45   2.302 -12.642  -1.487
  349   1HG1  VAL  45          HG11      VAL  45   3.970 -10.742  -1.469
  350   2HG1  VAL  45          HG12      VAL  45   3.066 -10.030  -0.115
  351   3HG1  VAL  45          HG13      VAL  45   3.824 -11.617   0.062
  352   1HG2  VAL  45          HG21      VAL  45   1.615 -12.317   0.886
  353   2HG2  VAL  45          HG22      VAL  45   0.692 -10.887   0.396
  354   3HG2  VAL  45          HG23      VAL  45   0.239 -12.477  -0.235
  355    H    LEU  46           H        LEU  46   2.838  -8.812  -2.536
  356    HA   LEU  46           HA       LEU  46   1.316  -6.997  -0.879
  357   1HB   LEU  46          HB2       LEU  46   3.805  -7.002  -1.254
  358   2HB   LEU  46          HB3       LEU  46   3.532  -6.463  -2.913
  359    HG   LEU  46           HG       LEU  46   2.666  -4.347  -2.168
  360   1HD1  LEU  46          HD11      LEU  46   2.805  -3.802   0.332
  361   2HD1  LEU  46          HD12      LEU  46   1.512  -4.938  -0.085
  362   3HD1  LEU  46          HD13      LEU  46   3.030  -5.540   0.612
  363   1HD2  LEU  46          HD21      LEU  46   5.083  -4.756  -0.406
  364   2HD2  LEU  46          HD22      LEU  46   5.262  -5.109  -2.135
  365   3HD2  LEU  46          HD23      LEU  46   4.797  -3.499  -1.597
  366    H    ARG  47           H        ARG  47   1.665  -7.735  -4.327
  367    HA   ARG  47           HA       ARG  47   0.082  -5.599  -5.379
  368   1HB   ARG  47          HB2       ARG  47   1.739  -6.901  -6.683
  369   2HB   ARG  47          HB3       ARG  47   0.738  -8.328  -6.596
  370   1HG   ARG  47          HG2       ARG  47  -0.574  -5.828  -7.641
  371   2HG   ARG  47          HG3       ARG  47   0.632  -6.615  -8.661
  372   1HD   ARG  47          HD2       ARG  47  -0.519  -8.655  -8.763
  373   2HD   ARG  47          HD3       ARG  47  -1.645  -8.277  -7.479
  374    HE   ARG  47           HE       ARG  47  -1.697  -7.364 -10.269
  375   1HH1  ARG  47          HH22      ARG  47  -3.013  -6.696  -7.010
  376   2HH1  ARG  47          HH21      ARG  47  -4.523  -6.112  -7.604
  377   1HH2  ARG  47          HH11      ARG  47  -3.604  -6.362 -11.030
  378   2HH2  ARG  47          HH12      ARG  47  -4.604  -5.500  -9.915
  379    H    GLU  48           H        GLU  48  -0.575  -8.943  -4.449
  380    HA   GLU  48           HA       GLU  48  -3.246  -9.278  -5.242
  381   1HB   GLU  48          HB2       GLU  48  -1.844 -11.111  -4.484
  382   2HB   GLU  48          HB3       GLU  48  -1.566 -10.302  -2.954
  383   1HG   GLU  48          HG2       GLU  48  -4.085 -10.588  -2.504
  384   2HG   GLU  48          HG3       GLU  48  -4.044 -11.780  -3.820
  385    H    GLN  49           H        GLN  49  -1.938  -8.036  -2.108
  386    HA   GLN  49           HA       GLN  49  -4.555  -7.407  -1.033
  387   1HB   GLN  49          HB2       GLN  49  -1.781  -6.378  -0.293
  388   2HB   GLN  49          HB3       GLN  49  -3.243  -6.183   0.675
  389   1HG   GLN  49          HG2       GLN  49  -1.896  -8.848  -0.011
  390   2HG   GLN  49          HG3       GLN  49  -1.828  -7.987   1.524
  391   1HE2  GLN  49          HE21      GLN  49  -3.420 -10.530  -0.116
  392   2HE2  GLN  49          HE22      GLN  49  -4.855 -10.541   0.885
  393    H    ALA  50           H        ALA  50  -2.050  -5.651  -2.781
  394    HA   ALA  50           HA       ALA  50  -2.938  -3.080  -2.457
  395   1HB   ALA  50          HB1       ALA  50  -0.800  -3.596  -3.507
  396   2HB   ALA  50          HB2       ALA  50  -1.649  -4.171  -4.969
  397   3HB   ALA  50          HB3       ALA  50  -1.740  -2.472  -4.502
  398    H    GLY  51           H        GLY  51  -4.073  -1.587  -3.690
  399   1HA   GLY  51          HA1       GLY  51  -6.076  -0.821  -4.304
  400   2HA   GLY  51          HA2       GLY  51  -6.036  -1.903  -5.687
  401    H    GLY  52           H        GLY  52  -5.915  -1.998  -2.134
  402   1HA   GLY  52          HA1       GLY  52  -8.625  -2.202  -1.557
  403   2HA   GLY  52          HA2       GLY  52  -7.877  -3.829  -1.432
  404    H    ASP  53           H        ASP  53  -8.386  -3.386   0.777
  405    HA   ASP  53           HA       ASP  53  -6.657  -1.687   2.422
  406   1HB   ASP  53          HB2       ASP  53  -8.805  -2.334   3.407
  407   2HB   ASP  53          HB3       ASP  53  -8.411  -4.058   3.196
  408    H    ALA  54           H        ALA  54  -4.821  -2.283   3.505
  409    HA   ALA  54           HA       ALA  54  -4.201  -5.146   3.657
  410   1HB   ALA  54          HB1       ALA  54  -1.968  -3.264   2.838
  411   2HB   ALA  54          HB2       ALA  54  -1.982  -5.044   2.915
  412   3HB   ALA  54          HB3       ALA  54  -2.898  -4.195   1.657
  413    H    THR  55           H        THR  55  -5.141  -2.735   5.410
  414    HA   THR  55           HA       THR  55  -2.999  -2.068   7.114
  415    HB   THR  55           HB       THR  55  -5.946  -2.280   7.921
  416    HG1  THR  55           HG1      THR  55  -5.833  -1.048   6.074
  417   1HG2  THR  55          HG21      THR  55  -3.618  -0.519   8.848
  418   2HG2  THR  55          HG22      THR  55  -5.302  -0.374   9.409
  419   3HG2  THR  55          HG23      THR  55  -4.366  -1.827   9.785
  420    H    GLU  56           H        GLU  56  -5.552  -4.650   7.409
  421    HA   GLU  56           HA       GLU  56  -4.684  -5.615   9.915
  422   1HB   GLU  56          HB2       GLU  56  -6.247  -6.984   7.660
  423   2HB   GLU  56          HB3       GLU  56  -6.067  -7.568   9.317
  424   1HG   GLU  56          HG2       GLU  56  -7.105  -5.386  10.112
  425   2HG   GLU  56          HG3       GLU  56  -7.465  -5.006   8.416
  426    H    ASN  57           H        ASN  57  -4.102  -6.697   6.540
  427    HA   ASN  57           HA       ASN  57  -2.433  -8.840   7.176
  428   1HB   ASN  57          HB2       ASN  57  -3.506  -8.009   4.933
  429   2HB   ASN  57          HB3       ASN  57  -1.955  -7.209   4.667
  430   1HD2  ASN  57          HD21      ASN  57  -3.389  -9.568   3.366
  431   2HD2  ASN  57          HD22      ASN  57  -2.217 -10.884   3.425
  432    H    PHE  58           H        PHE  58  -1.504  -5.423   6.609
  433    HA   PHE  58           HA       PHE  58   1.303  -5.731   6.836
  434   1HB   PHE  58          HB2       PHE  58   0.180  -3.722   5.978
  435   2HB   PHE  58          HB3       PHE  58  -0.504  -3.394   7.561
  436    HD1  PHE  58           HD1      PHE  58   2.849  -3.978   5.936
  437    HD2  PHE  58           HD2      PHE  58   0.605  -1.792   8.897
  438    HE1  PHE  58           HE1      PHE  58   4.777  -2.450   6.272
  439    HE2  PHE  58           HE2      PHE  58   2.518  -0.249   9.194
  440    HZ   PHE  58           HZ       PHE  58   4.603  -0.565   7.869
  441    H    GLU  59           H        GLU  59  -1.123  -4.894   9.322
  442    HA   GLU  59           HA       GLU  59   0.623  -4.601  11.533
  443   1HB   GLU  59          HB2       GLU  59  -1.850  -3.882  11.190
  444   2HB   GLU  59          HB3       GLU  59  -2.300  -5.531  11.595
  445   1HG   GLU  59          HG2       GLU  59  -2.502  -4.224  13.591
  446   2HG   GLU  59          HG3       GLU  59  -1.050  -5.216  13.813
  447    H    ASP  60           H        ASP  60  -1.377  -7.215  10.467
  448    HA   ASP  60           HA       ASP  60  -1.038  -9.312  12.243
  449   1HB   ASP  60          HB2       ASP  60  -2.636  -9.285  10.292
  450   2HB   ASP  60          HB3       ASP  60  -1.264  -9.335   9.206
  451    H    HIS  61           H        HIS  61   0.878  -8.617   9.283
  452    HA   HIS  61           HA       HIS  61   2.977 -10.508   9.972
  453   1HB   HIS  61          HB2       HIS  61   2.708  -8.331   7.880
  454   2HB   HIS  61          HB3       HIS  61   4.105  -9.405   8.001
  455    HD1  HIS  61           HD1      HIS  61   0.601 -11.024   8.456
  456    HD2  HIS  61           HD2      HIS  61   3.705 -10.455   5.661
  457    HE1  HIS  61           HE1      HIS  61   0.133 -12.570   6.522
  458    H    GLY  62           H        GLY  62   2.345  -7.903  11.765
  459   1HA   GLY  62          HA1       GLY  62   3.564  -6.807  13.302
  460   2HA   GLY  62          HA2       GLY  62   5.002  -7.704  12.803
  461    H    HIS  63           HN       HIS  63   5.950  -7.011  10.716
  462    HA   HIS  63           HA       HIS  63   7.268  -5.548   9.688
  463   1HB   HIS  63          HB2       HIS  63   4.709  -3.909   9.683
  464   2HB   HIS  63          HB3       HIS  63   6.199  -3.349   8.938
  465    HD1  HIS  63           HD1      HIS  63   3.513  -6.020   8.405
  466    HD2  HIS  63           HD2      HIS  63   7.084  -4.502   6.780
  467    HE1  HIS  63           HE1      HIS  63   3.691  -6.961   6.035
  468    H    SER  64           H        SER  64   8.870  -4.045   9.991
  469    HA   SER  64           HA       SER  64   9.212  -3.305  12.762
  470   1HB   SER  64          HB2       SER  64  11.053  -4.035  11.188
  471   2HB   SER  64          HB3       SER  64  10.994  -2.425  10.459
  472    HG   SER  64           HG       SER  64  12.082  -1.729  12.201
  473    H    THR  65           H        THR  65   9.866  -1.148  13.459
  474    HA   THR  65           HA       THR  65   8.053   1.031  13.088
  475    HB   THR  65           HB       THR  65  10.359   2.152  13.995
  476    HG1  THR  65           HG1      THR  65  11.693   0.275  13.427
  477   1HG2  THR  65          HG21      THR  65   8.859   0.006  15.565
  478   2HG2  THR  65          HG22      THR  65   9.881   1.281  16.259
  479   3HG2  THR  65          HG23      THR  65   8.381   1.713  15.413
  480    H    ASP  66           H        ASP  66  11.057   0.103  11.502
  481    HA   ASP  66           HA       ASP  66  11.507   2.485  10.058
  482   1HB   ASP  66          HB2       ASP  66  12.492  -0.343   9.422
  483   2HB   ASP  66          HB3       ASP  66  13.325   1.189   9.141
  484    H    ALA  67           H        ALA  67   9.922  -0.601   9.212
  485    HA   ALA  67           HA       ALA  67   9.342  -0.006   6.489
  486   1HB   ALA  67          HB1       ALA  67   9.242  -2.297   7.322
  487   2HB   ALA  67          HB2       ALA  67   7.995  -1.863   8.499
  488   3HB   ALA  67          HB3       ALA  67   7.622  -1.814   6.775
  489    H    ARG  68           H        ARG  68   7.691   0.364   9.614
  490    HA   ARG  68           HA       ARG  68   5.350   1.694   8.768
  491   1HB   ARG  68          HB2       ARG  68   6.851   1.219  11.265
  492   2HB   ARG  68          HB3       ARG  68   5.915   2.686  11.353
  493   1HG   ARG  68          HG2       ARG  68   3.958   1.331  10.477
  494   2HG   ARG  68          HG3       ARG  68   4.986  -0.114  10.532
  495   1HD   ARG  68          HD2       ARG  68   5.267   0.265  12.996
  496   2HD   ARG  68          HD3       ARG  68   4.084   1.577  12.922
  497    HE   ARG  68           HE       ARG  68   3.620  -1.281  12.944
  498   1HH1  ARG  68          HH22      ARG  68   2.198   1.669  11.569
  499   2HH1  ARG  68          HH21      ARG  68   0.605   0.960  11.374
  500   1HH2  ARG  68          HH11      ARG  68   1.422  -2.085  13.009
  501   2HH2  ARG  68          HH12      ARG  68   0.179  -1.192  12.357
  502    H    GLU  69           H        GLU  69   8.340   3.343   9.990
  503    HA   GLU  69           HA       GLU  69   7.834   5.853   9.208
  504   1HB   GLU  69          HB2       GLU  69  10.342   4.206   9.216
  505   2HB   GLU  69          HB3       GLU  69  10.454   5.837   8.627
  506   1HG   GLU  69          HG2       GLU  69   9.369   5.055  11.366
  507   2HG   GLU  69          HG3       GLU  69  10.998   5.630  10.990
  508    H    LEU  70           H        LEU  70   9.342   3.436   7.084
  509    HA   LEU  70           HA       LEU  70   9.302   4.811   4.697
  510   1HB   LEU  70          HB2       LEU  70   9.267   1.932   5.431
  511   2HB   LEU  70          HB3       LEU  70   8.471   2.193   3.956
  512    HG   LEU  70           HG       LEU  70  10.629   1.729   3.317
  513   1HD1  LEU  70          HD11      LEU  70   9.704   4.037   2.461
  514   2HD1  LEU  70          HD12      LEU  70  11.039   4.721   3.402
  515   3HD1  LEU  70          HD13      LEU  70  11.384   3.565   2.107
  516   1HD2  LEU  70          HD21      LEU  70  11.642   3.554   5.530
  517   2HD2  LEU  70          HD22      LEU  70  11.677   1.776   5.497
  518   3HD2  LEU  70          HD23      LEU  70  12.664   2.701   4.350
  519    H    SER  71           H        SER  71   6.549   3.185   6.218
  520    HA   SER  71           HA       SER  71   4.715   3.507   4.026
  521   1HB   SER  71          HB2       SER  71   3.911   3.467   6.959
  522   2HB   SER  71          HB3       SER  71   3.012   2.897   5.557
  523    HG   SER  71           HG       SER  71   5.451   1.689   6.304
  524    H    LYS  72           H        LYS  72   5.785   5.669   6.625
  525    HA   LYS  72           HA       LYS  72   3.732   7.682   6.289
  526   1HB   LYS  72          HB2       LYS  72   6.664   8.264   6.909
  527   2HB   LYS  72          HB3       LYS  72   5.274   9.278   7.247
  528   1HG   LYS  72          HG2       LYS  72   4.494   7.861   8.950
  529   2HG   LYS  72          HG3       LYS  72   5.525   6.513   8.468
  530   1HD   LYS  72          HD2       LYS  72   6.596   7.369  10.358
  531   2HD   LYS  72          HD3       LYS  72   7.538   7.860   8.926
  532   1HE   LYS  72          HE2       LYS  72   6.702  10.147   9.109
  533   2HE   LYS  72          HE3       LYS  72   5.830   9.697  10.596
  534   1HZ   LYS  72          HZ1       LYS  72   8.084  10.571  11.099
  535   2HZ   LYS  72          HZ2       LYS  72   7.991   8.947  11.490
  536   3HZ   LYS  72          HZ3       LYS  72   8.749   9.342  10.182
  537    H    THR  73           H        THR  73   6.990   7.377   4.969
  538    HA   THR  73           HA       THR  73   6.627   9.630   3.207
  539    HB   THR  73           HB       THR  73   8.848   8.794   3.954
  540    HG1  THR  73           HG1      THR  73   9.791   9.527   2.018
  541   1HG2  THR  73          HG21      THR  73   8.536   6.860   1.610
  542   2HG2  THR  73          HG22      THR  73  10.072   7.293   2.385
  543   3HG2  THR  73          HG23      THR  73   8.831   6.469   3.318
  544    H    PHE  74           H        PHE  74   5.786   6.231   2.762
  545    HA   PHE  74           HA       PHE  74   5.155   6.506  -0.067
  546   1HB   PHE  74          HB2       PHE  74   4.121   4.542   1.978
  547   2HB   PHE  74          HB3       PHE  74   4.003   4.379   0.242
  548    HD1  PHE  74           HD1      PHE  74   7.098   5.367  -0.138
  549    HD2  PHE  74           HD2      PHE  74   5.003   2.296   2.025
  550    HE1  PHE  74           HE1      PHE  74   9.117   3.936  -0.201
  551    HE2  PHE  74           HE2      PHE  74   6.915   0.766   1.668
  552    HZ   PHE  74           HZ       PHE  74   9.072   1.673   0.880
  553    H    ILE  75           H        ILE  75   3.475   7.621   2.781
  554    HA   ILE  75           HA       ILE  75   0.817   7.320   1.911
  555    HB   ILE  75           HB       ILE  75   2.084   9.550   3.518
  556   1HG1  ILE  75          HG12      ILE  75   0.048   7.389   4.230
  557   2HG1  ILE  75          HG13      ILE  75   1.776   7.173   4.324
  558   1HG2  ILE  75          HG21      ILE  75  -0.881   9.229   2.873
  559   2HG2  ILE  75          HG22      ILE  75  -0.201  10.322   4.097
  560   3HG2  ILE  75          HG23      ILE  75   0.146  10.605   2.408
  561   1HD1  ILE  75          HD11      ILE  75   1.052   7.742   6.540
  562   2HD1  ILE  75          HD12      ILE  75   1.888   9.170   5.902
  563   3HD1  ILE  75          HD13      ILE  75   0.112   9.123   5.965
  564    H    ILE  76           H        ILE  76  -0.332   8.034   0.254
  565    HA   ILE  76           HA       ILE  76   0.492  10.574  -1.147
  566    HB   ILE  76           HB       ILE  76  -0.673   9.663  -3.109
  567   1HG1  ILE  76          HG12      ILE  76  -0.523   6.865  -1.981
  568   2HG1  ILE  76          HG13      ILE  76  -1.925   7.853  -1.565
  569   1HG2  ILE  76          HG21      ILE  76   1.129   8.197  -3.846
  570   2HG2  ILE  76          HG22      ILE  76   1.784   9.531  -2.885
  571   3HG2  ILE  76          HG23      ILE  76   1.637   7.915  -2.169
  572   1HD1  ILE  76          HD11      ILE  76  -2.453   8.258  -3.901
  573   2HD1  ILE  76          HD12      ILE  76  -1.031   7.311  -4.400
  574   3HD1  ILE  76          HD13      ILE  76  -2.385   6.528  -3.548
  575    H    GLY  77           H        GLY  77  -1.991   9.047   0.773
  576   1HA   GLY  77          HA1       GLY  77  -4.203  10.868  -0.196
  577   2HA   GLY  77          HA2       GLY  77  -4.058   9.204  -0.799
  578    H    GLU  78           H        GLU  78  -6.357   9.540   0.292
  579    HA   GLU  78           HA       GLU  78  -6.114   7.641   2.460
  580   1HB   GLU  78          HB2       GLU  78  -7.910  10.085   2.446
  581   2HB   GLU  78          HB3       GLU  78  -8.095   8.793   3.635
  582   1HG   GLU  78          HG2       GLU  78  -6.104   9.365   4.764
  583   2HG   GLU  78          HG3       GLU  78  -5.594  10.498   3.470
  584    H    LEU  79           H        LEU  79  -8.121   6.521   2.672
  585    HA   LEU  79           HA       LEU  79  -9.625   5.998   0.225
  586   1HB   LEU  79          HB2       LEU  79  -9.462   4.316   2.024
  587   2HB   LEU  79          HB3       LEU  79 -10.158   5.459   3.179
  588    HG   LEU  79           HG       LEU  79 -12.289   5.487   1.821
  589   1HD1  LEU  79          HD11      LEU  79 -11.464   4.756  -0.368
  590   2HD1  LEU  79          HD12      LEU  79 -10.918   3.212   0.337
  591   3HD1  LEU  79          HD13      LEU  79 -12.651   3.598   0.249
  592   1HD2  LEU  79          HD21      LEU  79 -11.486   2.743   2.793
  593   2HD2  LEU  79          HD22      LEU  79 -12.021   4.094   3.826
  594   3HD2  LEU  79          HD23      LEU  79 -13.130   3.434   2.612
  595    H    HIS  80           H        HIS  80 -11.061   7.422  -0.669
  596    HA   HIS  80           HA       HIS  80 -11.782   9.745   0.426
  597   1HB   HIS  80          HB2       HIS  80 -12.124   9.000  -1.881
  598   2HB   HIS  80          HB3       HIS  80 -13.569   8.108  -1.385
  599    HD1  HIS  80           HD1      HIS  80 -15.724   9.717  -1.744
  600    HD2  HIS  80           HD2      HIS  80 -12.074  11.602  -0.937
  601    HE1  HIS  80           HE1      HIS  80 -16.216  12.231  -1.692
  602    HA   PRO  81           HA       PRO  81 -14.480   8.783   3.570
  603   1HB   PRO  81          HB2       PRO  81 -15.956  11.447   3.093
  604   2HB   PRO  81          HB3       PRO  81 -15.333  10.887   4.639
  605   1HG   PRO  81          HG2       PRO  81 -13.970  12.771   3.143
  606   2HG   PRO  81          HG3       PRO  81 -13.007  11.404   3.804
  607   1HD   PRO  81          HD2       PRO  81 -14.343  11.652   1.111
  608   2HD   PRO  81          HD3       PRO  81 -12.621  11.335   1.467
  609    H    ASP  82           H        ASP  82 -16.175   9.876   0.818
  610    HA   ASP  82           HA       ASP  82 -18.775   9.218   1.761
  611   1HB   ASP  82          HB2       ASP  82 -18.053  10.752  -0.188
  612   2HB   ASP  82          HB3       ASP  82 -17.715   9.244  -1.082
  613    H    ASP  83           H        ASP  83 -16.245   7.181   1.309
  614    HA   ASP  83           HA       ASP  83 -17.276   5.458  -0.739
  615   1HB   ASP  83          HB2       ASP  83 -14.926   6.802  -0.107
  616   2HB   ASP  83          HB3       ASP  83 -14.453   5.212   0.370
  617    H    ARG  84           H        ARG  84 -15.240   4.727   1.996
  618    HA   ARG  84           HA       ARG  84 -15.172   2.851   3.423
  619   1HB   ARG  84          HB2       ARG  84 -17.442   4.703   4.185
  620   2HB   ARG  84          HB3       ARG  84 -16.592   3.616   5.302
  621   1HG   ARG  84          HG2       ARG  84 -14.465   4.748   4.869
  622   2HG   ARG  84          HG3       ARG  84 -15.219   5.821   3.674
  623   1HD   ARG  84          HD2       ARG  84 -16.752   6.671   5.413
  624   2HD   ARG  84          HD3       ARG  84 -15.866   5.725   6.640
  625    HE   ARG  84           HE       ARG  84 -13.945   7.241   5.217
  626   1HH1  ARG  84          HH22      ARG  84 -16.777   7.989   7.156
  627   2HH1  ARG  84          HH21      ARG  84 -16.191   9.533   7.707
  628   1HH2  ARG  84          HH11      ARG  84 -13.151   9.167   5.843
  629   2HH2  ARG  84          HH12      ARG  84 -13.986  10.245   6.946
  630    HHA  HEM 201           HGM      HEM 201   9.392  -8.952   5.415
  631    HHB  HEM 201           HDM      HEM 201   9.165  -2.600   4.548
  632    HHC  HEM 201           HAM      HEM 201   2.922  -3.029   3.110
  633    HHD  HEM 201           HBM      HEM 201   3.314  -9.478   3.309
  634   1HMA  HEM 201          HM81      HEM 201  11.417  -3.370   4.588
  635   2HMA  HEM 201          HM82      HEM 201  11.129  -3.449   6.342
  636   3HMA  HEM 201          HM83      HEM 201  12.273  -4.557   5.571
  637   1HAA  HEM 201          HP71      HEM 201  11.146  -8.082   6.414
  638   2HAA  HEM 201          HP72      HEM 201  12.088  -6.524   6.556
  639   1HBA  HEM 201          HP73      HEM 201  11.228  -7.325   8.712
  640   2HBA  HEM 201          HP74      HEM 201   9.521  -7.184   8.059
  641   1HMB  HEM 201          HM11      HEM 201   6.832   0.357   3.941
  642   2HMB  HEM 201          HM12      HEM 201   8.044  -0.530   4.838
  643   3HMB  HEM 201          HM13      HEM 201   8.203  -0.408   3.090
  644    HAB  HEM 201          HT2A      HEM 201   4.040  -1.314   1.811
  645   1HBB  HEM 201          HV2C      HEM 201   4.621   0.795   3.821
  646   2HBB  HEM 201          HV2T      HEM 201   2.966   0.428   2.979
  647   1HMC  HEM 201          HM31      HEM 201   0.901  -3.808   2.812
  648   2HMC  HEM 201          HM32      HEM 201   0.204  -5.284   2.118
  649   3HMC  HEM 201          HM33      HEM 201   0.149  -5.011   3.875
  650    HAC  HEM 201          HT4A      HEM 201   0.715  -8.284   4.207
  651   1HBC  HEM 201          HV4C      HEM 201   0.915  -8.413   1.156
  652   2HBC  HEM 201          HV4T      HEM 201   0.144  -9.655   2.321
  653   1HMD  HEM 201          HM51      HEM 201   5.087 -12.261   4.527
  654   2HMD  HEM 201          HM52      HEM 201   4.132 -11.475   3.261
  655   3HMD  HEM 201          HM53      HEM 201   5.715 -12.131   2.873
  656   1HAD  HEM 201          HP61      HEM 201   7.669 -12.242   4.196
  657   2HAD  HEM 201          HP62      HEM 201   9.073 -11.088   4.333
  658   1HBD  HEM 201          HP63      HEM 201   7.258 -11.682   6.704
  659   2HBD  HEM 201          HP64      HEM 201   8.602 -12.832   6.208
  Start of MODEL    3
    1   1H    ALA   3          H1        ALA   3  -2.933  19.868   2.768
    2   2H    ALA   3          H2        ALA   3  -4.126  20.248   1.725
    3   3H    ALA   3          H3        ALA   3  -3.773  21.303   2.962
    4    HA   ALA   3           HA       ALA   3  -5.781  19.849   3.275
    5   1HB   ALA   3          HB1       ALA   3  -4.694  20.928   5.222
    6   2HB   ALA   3          HB2       ALA   3  -5.234  19.288   5.625
    7   3HB   ALA   3          HB3       ALA   3  -3.514  19.599   5.312
    8    H    VAL   4           H        VAL   4  -6.405  17.600   3.831
    9    HA   VAL   4           HA       VAL   4  -4.605  15.420   3.073
   10    HB   VAL   4           HB       VAL   4  -6.679  14.118   3.022
   11   1HG1  VAL   4          HG11      VAL   4  -6.334  15.691   5.575
   12   2HG1  VAL   4          HG12      VAL   4  -7.112  14.101   5.389
   13   3HG1  VAL   4          HG13      VAL   4  -5.389  14.273   5.046
   14   1HG2  VAL   4          HG21      VAL   4  -8.154  16.640   3.864
   15   2HG2  VAL   4          HG22      VAL   4  -8.306  15.788   2.306
   16   3HG2  VAL   4          HG23      VAL   4  -8.802  14.996   3.799
   17    H    LYS   5           H        LYS   5  -5.809  13.961   1.133
   18    HA   LYS   5           HA       LYS   5  -5.808  15.805  -1.248
   19   1HB   LYS   5          HB2       LYS   5  -3.641  14.770  -1.019
   20   2HB   LYS   5          HB3       LYS   5  -4.359  13.200  -0.680
   21   1HG   LYS   5          HG2       LYS   5  -3.452  13.257  -2.882
   22   2HG   LYS   5          HG3       LYS   5  -5.203  13.027  -2.983
   23   1HD   LYS   5          HD2       LYS   5  -5.499  15.449  -3.493
   24   2HD   LYS   5          HD3       LYS   5  -3.751  15.699  -3.392
   25   1HE   LYS   5          HE2       LYS   5  -5.271  13.947  -5.392
   26   2HE   LYS   5          HE3       LYS   5  -4.563  15.530  -5.727
   27   1HZ   LYS   5          HZ1       LYS   5  -3.049  13.081  -5.045
   28   2HZ   LYS   5          HZ2       LYS   5  -3.129  13.810  -6.507
   29   3HZ   LYS   5          HZ3       LYS   5  -2.382  14.570  -5.257
   30    H    TYR   6           H        TYR   6  -6.561  12.594   0.026
   31    HA   TYR   6           HA       TYR   6  -7.905  11.005  -0.471
   32   1HB   TYR   6          HB2       TYR   6 -10.052  13.126  -1.069
   33   2HB   TYR   6          HB3       TYR   6 -10.183  11.435  -0.951
   34    HD1  TYR   6           HD1      TYR   6  -8.236  13.559   1.521
   35    HD2  TYR   6           HD2      TYR   6 -11.570  11.139   0.641
   36    HE1  TYR   6           HE1      TYR   6  -8.286  12.764   3.868
   37    HE2  TYR   6           HE2      TYR   6 -11.194   9.877   2.738
   38    HH   TYR   6           HH       TYR   6  -9.127  11.250   5.346
   39    H    TYR   7           H        TYR   7  -8.717   9.646  -1.677
   40    HA   TYR   7           HA       TYR   7  -8.580   9.696  -4.584
   41   1HB   TYR   7          HB2       TYR   7  -6.941   8.614  -2.305
   42   2HB   TYR   7          HB3       TYR   7  -7.296   7.464  -3.429
   43    HD1  TYR   7           HD1      TYR   7  -4.629   7.838  -2.860
   44    HD2  TYR   7           HD2      TYR   7  -6.873  10.485  -5.436
   45    HE1  TYR   7           HE1      TYR   7  -2.620   9.182  -3.295
   46    HE2  TYR   7           HE2      TYR   7  -4.852  11.693  -5.966
   47    HH   TYR   7           HH       TYR   7  -2.060  11.324  -3.755
   48    H    THR   8           H        THR   8 -10.017   8.412  -5.430
   49    HA   THR   8           HA       THR   8 -12.180   7.431  -3.742
   50    HB   THR   8           HB       THR   8 -13.145   7.061  -6.109
   51    HG1  THR   8           HG1      THR   8 -10.858   7.102  -7.004
   52   1HG2  THR   8          HG21      THR   8 -12.069   9.823  -5.351
   53   2HG2  THR   8          HG22      THR   8 -13.397   9.498  -6.483
   54   3HG2  THR   8          HG23      THR   8 -13.586   9.101  -4.759
   55    H    LEU   9           H        LEU   9 -12.975   5.269  -3.757
   56    HA   LEU   9           HA       LEU   9 -11.062   3.145  -3.801
   57   1HB   LEU   9          HB2       LEU   9 -12.802   2.796  -2.500
   58   2HB   LEU   9          HB3       LEU   9 -14.040   3.333  -3.630
   59    HG   LEU   9           HG       LEU   9 -12.389   0.802  -4.118
   60   1HD1  LEU   9          HD11      LEU   9 -13.225   0.601  -1.833
   61   2HD1  LEU   9          HD12      LEU   9 -14.863   1.039  -2.359
   62   3HD1  LEU   9          HD13      LEU   9 -14.126  -0.486  -2.901
   63   1HD2  LEU   9          HD21      LEU   9 -14.511   0.025  -5.202
   64   2HD2  LEU   9          HD22      LEU   9 -15.257   1.595  -4.852
   65   3HD2  LEU   9          HD23      LEU   9 -13.900   1.473  -5.989
   66    H    GLU  10           H        GLU  10 -13.346   4.382  -6.198
   67    HA   GLU  10           HA       GLU  10 -13.017   2.841  -8.416
   68   1HB   GLU  10          HB2       GLU  10 -14.256   5.003  -8.261
   69   2HB   GLU  10          HB3       GLU  10 -12.741   5.891  -8.311
   70   1HG   GLU  10          HG2       GLU  10 -13.803   5.910 -10.498
   71   2HG   GLU  10          HG3       GLU  10 -12.274   5.037 -10.585
   72    H    GLU  11           H        GLU  11 -10.711   5.306  -7.311
   73    HA   GLU  11           HA       GLU  11  -8.711   4.566  -9.335
   74   1HB   GLU  11          HB2       GLU  11  -8.700   6.440  -6.877
   75   2HB   GLU  11          HB3       GLU  11  -7.205   5.955  -7.593
   76   1HG   GLU  11          HG2       GLU  11  -9.352   7.429  -9.121
   77   2HG   GLU  11          HG3       GLU  11  -7.995   8.162  -8.254
   78    H    ILE  12           H        ILE  12  -9.029   4.151  -5.801
   79    HA   ILE  12           HA       ILE  12  -6.505   3.072  -5.479
   80    HB   ILE  12           HB       ILE  12  -9.019   2.588  -3.863
   81   1HG1  ILE  12          HG12      ILE  12  -6.650   4.251  -2.985
   82   2HG1  ILE  12          HG13      ILE  12  -7.755   4.957  -4.174
   83   1HG2  ILE  12          HG21      ILE  12  -7.599   0.777  -3.249
   84   2HG2  ILE  12          HG22      ILE  12  -6.171   1.840  -3.152
   85   3HG2  ILE  12          HG23      ILE  12  -7.489   1.986  -1.972
   86   1HD1  ILE  12          HD11      ILE  12  -9.632   4.628  -2.638
   87   2HD1  ILE  12          HD12      ILE  12  -8.527   3.958  -1.410
   88   3HD1  ILE  12          HD13      ILE  12  -8.344   5.637  -1.963
   89    H    GLN  13           H        GLU  13  -9.473   1.273  -6.302
   90    HA   GLN  13           HA       GLU  13  -8.476  -1.384  -6.098
   91   1HB   GLN  13          HB2       GLU  13 -10.156  -0.004  -8.273
   92   2HB   GLN  13          HB3       GLU  13  -9.955  -1.758  -8.210
   93   1HG   GLN  13          HG2       GLU  13 -11.307  -1.883  -6.208
   94   2HG   GLN  13          HG3       GLU  13 -11.469  -0.120  -6.163
   95    H    LYS  14           H        LYS  14  -8.151   1.101  -8.472
   96    HA   LYS  14           HA       LYS  14  -7.441  -0.563 -10.713
   97   1HB   LYS  14          HB2       LYS  14  -8.918   1.660 -10.213
   98   2HB   LYS  14          HB3       LYS  14  -7.445   2.466 -10.615
   99   1HG   LYS  14          HG2       LYS  14  -8.876   2.390 -12.497
  100   2HG   LYS  14          HG3       LYS  14  -7.637   1.165 -12.839
  101   1HD   LYS  14          HD2       LYS  14  -9.519  -0.017 -13.410
  102   2HD   LYS  14          HD3       LYS  14  -9.424  -0.530 -11.735
  103   1HE   LYS  14          HE2       LYS  14 -11.174   1.786 -12.717
  104   2HE   LYS  14          HE3       LYS  14 -11.723   0.111 -12.702
  105   1HZ   LYS  14          HZ1       LYS  14 -10.932   1.575 -10.270
  106   2HZ   LYS  14          HZ2       LYS  14 -12.417   1.468 -10.841
  107   3HZ   LYS  14          HZ3       LYS  14 -11.695   0.105 -10.298
  108    H    HIS  15           H        HIS  15  -5.955   1.814  -8.545
  109    HA   HIS  15           HA       HIS  15  -3.223   1.381  -9.505
  110   1HB   HIS  15          HB2       HIS  15  -4.406   2.607  -7.004
  111   2HB   HIS  15          HB3       HIS  15  -2.668   2.291  -7.278
  112    HD1  HIS  15           HD1      HIS  15  -1.312   3.991  -8.592
  113    HD2  HIS  15           HD2      HIS  15  -5.474   4.598  -8.613
  114    HE1  HIS  15           HE1      HIS  15  -1.702   6.276  -9.640
  115    H    ASN  16           H        ASN  16  -3.897  -0.993  -9.576
  116    HA   ASN  16           HA       ASN  16  -2.466  -2.125  -7.198
  117   1HB   ASN  16          HB2       ASN  16  -3.445  -4.269  -7.486
  118   2HB   ASN  16          HB3       ASN  16  -4.768  -3.115  -7.460
  119   1HD2  ASN  16          HD21      ASN  16  -6.056  -2.863  -9.319
  120   2HD2  ASN  16          HD22      ASN  16  -5.819  -3.816 -10.784
  121    H    ASN  17           H        ASN  17  -2.150  -1.288 -10.415
  122    HA   ASN  17           HA       ASN  17   0.376  -2.508 -10.830
  123   1HB   ASN  17          HB2       ASN  17  -0.894  -4.656 -10.788
  124   2HB   ASN  17          HB3       ASN  17  -2.016  -4.021 -11.997
  125   1HD2  ASN  17          HD21      ASN  17  -1.358  -3.893 -14.164
  126   2HD2  ASN  17          HD22      ASN  17   0.245  -4.272 -14.726
  127    H    SER  18           H        SER  18   1.232  -1.754 -12.764
  128    HA   SER  18           HA       SER  18   1.502  -0.253 -14.469
  129   1HB   SER  18          HB2       SER  18  -0.958  -1.738 -15.458
  130   2HB   SER  18          HB3       SER  18   0.188  -0.842 -16.464
  131    HG   SER  18           HG       SER  18   1.828  -2.277 -15.807
  132    H    LYS  19           H        LYS  19   0.383   1.009 -12.441
  133    HA   LYS  19           HA       LYS  19  -0.830   3.368 -13.583
  134   1HB   LYS  19          HB2       LYS  19  -2.849   1.909 -13.246
  135   2HB   LYS  19          HB3       LYS  19  -2.405   1.638 -11.602
  136   1HG   LYS  19          HG2       LYS  19  -3.796   3.265 -11.139
  137   2HG   LYS  19          HG3       LYS  19  -2.473   4.373 -11.606
  138   1HD   LYS  19          HD2       LYS  19  -3.495   4.156 -14.009
  139   2HD   LYS  19          HD3       LYS  19  -4.946   3.595 -13.184
  140   1HE   LYS  19          HE2       LYS  19  -3.548   6.306 -12.870
  141   2HE   LYS  19          HE3       LYS  19  -5.062   6.007 -13.729
  142   1HZ   LYS  19          HZ1       LYS  19  -5.464   6.962 -11.491
  143   2HZ   LYS  19          HZ2       LYS  19  -6.132   5.543 -11.555
  144   3HZ   LYS  19          HZ3       LYS  19  -4.675   5.758 -10.810
  145    H    SER  20           H        SER  20  -0.816   1.662 -10.424
  146    HA   SER  20           HA       SER  20   1.735   1.586  -9.961
  147   1HB   SER  20          HB2       SER  20   2.165   3.146  -8.073
  148   2HB   SER  20          HB3       SER  20   2.029   3.981  -9.607
  149    HG   SER  20           HG       SER  20   0.855   4.781  -7.664
  150    H    THR  21           H        THR  21   1.877   1.086  -7.416
  151    HA   THR  21           HA       THR  21  -0.381  -0.745  -6.845
  152    HB   THR  21           HB       THR  21   2.400  -0.731  -5.640
  153    HG1  THR  21           HG1      THR  21   1.553  -2.034  -8.003
  154   1HG2  THR  21          HG21      THR  21   0.313  -2.908  -6.117
  155   2HG2  THR  21          HG22      THR  21   1.934  -3.175  -5.465
  156   3HG2  THR  21          HG23      THR  21   0.783  -2.193  -4.552
  157    H    TRP  22           H        TRP  22  -1.874   0.417  -5.689
  158    HA   TRP  22           HA       TRP  22  -1.089   2.123  -3.396
  159   1HB   TRP  22          HB2       TRP  22  -3.525   1.836  -5.124
  160   2HB   TRP  22          HB3       TRP  22  -3.674   2.554  -3.588
  161    HD1  TRP  22           HD1      TRP  22  -0.404   3.317  -5.348
  162    HE1  TRP  22           HE1      TRP  22  -0.316   5.617  -6.288
  163    HE3  TRP  22           HE3      TRP  22  -5.286   4.573  -4.638
  164    HZ2  TRP  22           HZ2      TRP  22  -2.268   7.744  -6.966
  165    HZ3  TRP  22           HZ3      TRP  22  -6.210   6.646  -5.632
  166    HH2  TRP  22           HH2      TRP  22  -4.737   8.188  -6.884
  167    H    LEU  23           H        LEU  23  -1.813   1.623  -1.295
  168    HA   LEU  23           HA       LEU  23  -3.894  -0.434  -1.041
  169   1HB   LEU  23          HB2       LEU  23  -2.022  -1.069   1.034
  170   2HB   LEU  23          HB3       LEU  23  -2.694  -2.063  -0.194
  171    HG   LEU  23           HG       LEU  23  -0.730  -1.097  -1.718
  172   1HD1  LEU  23          HD11      LEU  23  -0.105   0.492   0.092
  173   2HD1  LEU  23          HD12      LEU  23   0.396  -0.889   1.091
  174   3HD1  LEU  23          HD13      LEU  23   1.200  -0.555  -0.468
  175   1HD2  LEU  23          HD21      LEU  23   0.670  -2.991  -0.897
  176   2HD2  LEU  23          HD22      LEU  23  -0.497  -3.213   0.432
  177   3HD2  LEU  23          HD23      LEU  23  -1.004  -3.451  -1.244
  178    H    ILE  24           H        ILE  24  -4.873  -0.430   1.111
  179    HA   ILE  24           HA       ILE  24  -4.607   2.261   2.385
  180    HB   ILE  24           HB       ILE  24  -6.827   0.284   2.926
  181   1HG1  ILE  24          HG12      ILE  24  -7.231   2.360   0.763
  182   2HG1  ILE  24          HG13      ILE  24  -6.691   0.730   0.353
  183   1HG2  ILE  24          HG21      ILE  24  -8.094   2.239   3.563
  184   2HG2  ILE  24          HG22      ILE  24  -6.512   2.287   4.346
  185   3HG2  ILE  24          HG23      ILE  24  -6.828   3.312   2.932
  186   1HD1  ILE  24          HD11      ILE  24  -8.605  -0.301   1.398
  187   2HD1  ILE  24          HD12      ILE  24  -9.233   1.266   1.909
  188   3HD1  ILE  24          HD13      ILE  24  -9.112   0.880   0.180
  189    H    LEU  25           H        LEU  25  -3.693   2.481   4.215
  190    HA   LEU  25           HA       LEU  25  -3.465   0.203   6.146
  191   1HB   LEU  25          HB2       LEU  25  -1.350   1.940   5.025
  192   2HB   LEU  25          HB3       LEU  25  -1.211   1.440   6.710
  193    HG   LEU  25           HG       LEU  25  -1.098  -0.889   6.012
  194   1HD1  LEU  25          HD11      LEU  25  -2.331  -1.148   4.076
  195   2HD1  LEU  25          HD12      LEU  25  -1.527   0.206   3.221
  196   3HD1  LEU  25          HD13      LEU  25  -0.674  -1.324   3.508
  197   1HD2  LEU  25          HD21      LEU  25   1.014   0.444   6.113
  198   2HD2  LEU  25          HD22      LEU  25   1.109  -0.814   4.863
  199   3HD2  LEU  25          HD23      LEU  25   0.823   0.866   4.399
  200    H    HIS  26           H        HIS  26  -5.273   1.088   7.191
  201    HA   HIS  26           HA       HIS  26  -6.349   2.312   8.761
  202   1HB   HIS  26          HB2       HIS  26  -3.942   4.139   9.083
  203   2HB   HIS  26          HB3       HIS  26  -5.250   3.840  10.211
  204    HD1  HIS  26           HD1      HIS  26  -5.055   1.616  11.707
  205    HD2  HIS  26           HD2      HIS  26  -1.906   2.360   9.004
  206    HE1  HIS  26           HE1      HIS  26  -3.113   0.120  12.406
  207    H    TYR  27           H        TYR  27  -7.101   2.817   6.296
  208    HA   TYR  27           HA       TYR  27  -8.272   4.178   4.976
  209   1HB   TYR  27          HB2       TYR  27  -8.450   5.851   7.476
  210   2HB   TYR  27          HB3       TYR  27  -9.147   6.363   5.945
  211    HD1  TYR  27           HD1      TYR  27 -11.081   5.354   4.974
  212    HD2  TYR  27           HD2      TYR  27  -9.298   3.668   8.520
  213    HE1  TYR  27           HE1      TYR  27 -12.933   3.727   5.128
  214    HE2  TYR  27           HE2      TYR  27 -11.176   2.049   8.682
  215    HH   TYR  27           HH       TYR  27 -13.684   1.796   6.165
  216    H    LYS  28           H        LYS  28  -5.441   5.790   6.333
  217    HA   LYS  28           HA       LYS  28  -4.980   7.551   4.100
  218   1HB   LYS  28          HB2       LYS  28  -3.198   6.046   6.056
  219   2HB   LYS  28          HB3       LYS  28  -2.534   7.030   4.742
  220   1HG   LYS  28          HG2       LYS  28  -4.233   7.984   7.082
  221   2HG   LYS  28          HG3       LYS  28  -2.490   8.176   6.817
  222   1HD   LYS  28          HD2       LYS  28  -3.289   9.297   4.529
  223   2HD   LYS  28          HD3       LYS  28  -4.788   9.533   5.470
  224   1HE   LYS  28          HE2       LYS  28  -3.740  10.940   7.049
  225   2HE   LYS  28          HE3       LYS  28  -2.108  10.457   6.555
  226   1HZ   LYS  28          HZ1       LYS  28  -2.400  11.589   4.491
  227   2HZ   LYS  28          HZ2       LYS  28  -3.932  11.965   4.775
  228   3HZ   LYS  28          HZ3       LYS  28  -2.754  12.645   5.700
  229    H    VAL  29           H        VAL  29  -3.543   7.115   2.312
  230    HA   VAL  29           HA       VAL  29  -3.737   4.327   1.252
  231    HB   VAL  29           HB       VAL  29  -4.302   6.956  -0.144
  232   1HG1  VAL  29          HG11      VAL  29  -4.129   4.159  -1.322
  233   2HG1  VAL  29          HG12      VAL  29  -4.771   5.610  -2.129
  234   3HG1  VAL  29          HG13      VAL  29  -3.058   5.528  -1.696
  235   1HG2  VAL  29          HG21      VAL  29  -6.161   5.853   1.211
  236   2HG2  VAL  29          HG22      VAL  29  -6.481   5.992  -0.533
  237   3HG2  VAL  29          HG23      VAL  29  -5.983   4.435   0.161
  238    H    TYR  30           H        TYR  30  -2.000   3.548   0.172
  239    HA   TYR  30           HA       TYR  30   0.579   4.982   0.625
  240   1HB   TYR  30          HB2       TYR  30  -0.560   2.248   1.279
  241   2HB   TYR  30          HB3       TYR  30   1.145   2.483   1.310
  242    HD1  TYR  30           HD1      TYR  30   2.084   3.634   3.337
  243    HD2  TYR  30           HD2      TYR  30  -2.154   3.439   2.695
  244    HE1  TYR  30           HE1      TYR  30   1.641   4.393   5.699
  245    HE2  TYR  30           HE2      TYR  30  -2.537   4.376   4.895
  246    HH   TYR  30           HH       TYR  30  -1.618   4.412   6.976
  247    H    ASP  31           H        ASP  31   1.703   5.136  -1.317
  248    HA   ASP  31           HA       ASP  31   1.104   3.192  -3.502
  249   1HB   ASP  31          HB2       ASP  31   0.991   5.752  -3.864
  250   2HB   ASP  31          HB3       ASP  31   2.762   5.713  -3.741
  251    H    LEU  32           H        LEU  32   2.757   1.818  -4.126
  252    HA   LEU  32           HA       LEU  32   5.462   2.377  -2.973
  253   1HB   LEU  32          HB2       LEU  32   4.910  -0.500  -3.295
  254   2HB   LEU  32          HB3       LEU  32   5.812   0.399  -2.076
  255    HG   LEU  32           HG       LEU  32   2.794   0.161  -2.102
  256   1HD1  LEU  32          HD11      LEU  32   3.978  -2.037  -1.801
  257   2HD1  LEU  32          HD12      LEU  32   4.915  -1.321  -0.459
  258   3HD1  LEU  32          HD13      LEU  32   3.171  -1.530  -0.312
  259   1HD2  LEU  32          HD21      LEU  32   3.682   2.092  -0.705
  260   2HD2  LEU  32          HD22      LEU  32   2.931   0.818   0.253
  261   3HD2  LEU  32          HD23      LEU  32   4.701   0.913   0.129
  262    H    THR  33           H        THR  33   4.247  -0.076  -5.248
  263    HA   THR  33           HA       THR  33   4.968  -0.836  -7.189
  264    HB   THR  33           HB       THR  33   5.088   2.134  -7.787
  265    HG1  THR  33           HG1      THR  33   3.301  -0.059  -8.080
  266   1HG2  THR  33          HG21      THR  33   5.313  -0.230  -9.717
  267   2HG2  THR  33          HG22      THR  33   4.918   1.436 -10.186
  268   3HG2  THR  33          HG23      THR  33   6.506   1.073  -9.502
  269    H    LYS  34           H        LYS  34   7.502   1.770  -6.516
  270    HA   LYS  34           HA       LYS  34   9.453   0.005  -7.807
  271   1HB   LYS  34          HB2       LYS  34   9.921   2.397  -7.742
  272   2HB   LYS  34          HB3       LYS  34  10.016   2.358  -5.963
  273   1HG   LYS  34          HG2       LYS  34  11.883   0.791  -6.035
  274   2HG   LYS  34          HG3       LYS  34  11.669   0.530  -7.768
  275   1HD   LYS  34          HD2       LYS  34  12.444   2.836  -8.207
  276   2HD   LYS  34          HD3       LYS  34  12.657   3.088  -6.448
  277   1HE   LYS  34          HE2       LYS  34  14.180   1.097  -6.356
  278   2HE   LYS  34          HE3       LYS  34  13.953   0.833  -8.091
  279   1HZ   LYS  34          HZ1       LYS  34  15.056   2.893  -8.503
  280   2HZ   LYS  34          HZ2       LYS  34  15.280   3.147  -6.880
  281   3HZ   LYS  34          HZ3       LYS  34  15.981   1.853  -7.623
  282    H    PHE  35           H        PHE  35   8.022   0.277  -4.617
  283    HA   PHE  35           HA       PHE  35  10.238  -0.863  -3.133
  284   1HB   PHE  35          HB2       PHE  35   8.114   0.487  -2.311
  285   2HB   PHE  35          HB3       PHE  35   7.352  -1.124  -2.317
  286    HD1  PHE  35           HD1      PHE  35  10.332   0.814  -1.101
  287    HD2  PHE  35           HD2      PHE  35   7.864  -2.665  -0.491
  288    HE1  PHE  35           HE1      PHE  35  11.604   0.267   0.958
  289    HE2  PHE  35           HE2      PHE  35   9.277  -3.275   1.448
  290    HZ   PHE  35           HZ       PHE  35  11.058  -1.770   2.236
  291    H    LEU  36           H        LEU  36   7.719  -2.142  -5.077
  292    HA   LEU  36           HA       LEU  36   7.506  -4.869  -4.479
  293   1HB   LEU  36          HB2       LEU  36   7.860  -3.431  -7.147
  294   2HB   LEU  36          HB3       LEU  36   7.178  -4.984  -6.966
  295    HG   LEU  36           HG       LEU  36   5.822  -2.500  -6.010
  296   1HD1  LEU  36          HD11      LEU  36   4.150  -3.305  -7.706
  297   2HD1  LEU  36          HD12      LEU  36   5.738  -3.067  -8.469
  298   3HD1  LEU  36          HD13      LEU  36   5.195  -4.698  -8.047
  299   1HD2  LEU  36          HD21      LEU  36   3.959  -4.008  -5.398
  300   2HD2  LEU  36          HD22      LEU  36   5.025  -5.393  -5.626
  301   3HD2  LEU  36          HD23      LEU  36   5.380  -4.185  -4.369
  302    H    GLU  37           H        GLU  37  10.122  -3.083  -6.079
  303    HA   GLU  37           HA       GLU  37  11.843  -5.171  -6.888
  304   1HB   GLU  37          HB2       GLU  37  11.827  -2.645  -7.388
  305   2HB   GLU  37          HB3       GLU  37  12.592  -2.411  -5.811
  306   1HG   GLU  37          HG2       GLU  37  14.512  -3.758  -6.573
  307   2HG   GLU  37          HG3       GLU  37  13.730  -3.918  -8.165
  308    H    GLU  38           H        GLU  38  11.461  -3.436  -3.853
  309    HA   GLU  38           HA       GLU  38  13.898  -4.411  -2.603
  310   1HB   GLU  38          HB2       GLU  38  12.820  -2.104  -2.480
  311   2HB   GLU  38          HB3       GLU  38  11.596  -2.772  -1.401
  312   1HG   GLU  38          HG2       GLU  38  14.546  -3.027  -0.784
  313   2HG   GLU  38          HG3       GLU  38  13.692  -1.516  -0.491
  314    H    HIS  39           HN       HIS  39  10.442  -4.753  -2.164
  315    HA   HIS  39           HA       HIS  39  10.249  -5.510   0.312
  316   1HB   HIS  39          HB2       HIS  39   8.422  -4.954  -1.250
  317   2HB   HIS  39          HB3       HIS  39   8.466  -6.599  -1.892
  318    HD1  HIS  39           HD1      HIS  39   6.230  -7.588  -0.936
  319    HD2  HIS  39           HD2      HIS  39   8.469  -5.312   1.803
  320    HE1  HIS  39           HE1      HIS  39   4.937  -7.595   1.243
  321    HA   PRO  40           HA       PRO  40  11.926  -9.763   0.726
  322   1HB   PRO  40          HB2       PRO  40  10.687  -9.185   3.429
  323   2HB   PRO  40          HB3       PRO  40  12.189 -10.083   3.064
  324   1HG   PRO  40          HG2       PRO  40  12.372  -7.499   3.844
  325   2HG   PRO  40          HG3       PRO  40  13.308  -8.036   2.420
  326   1HD   PRO  40          HD2       PRO  40  10.652  -6.581   2.448
  327   2HD   PRO  40          HD3       PRO  40  12.124  -6.255   1.483
  328    H    GLY  41           H        GLY  41   8.681  -8.604   1.781
  329   1HA   GLY  41          HA1       GLY  41   7.298 -11.107   1.794
  330   2HA   GLY  41          HA2       GLY  41   6.602  -9.533   1.546
  331    H    GLY  42           H        GLY  42   8.619  -9.263  -0.902
  332   1HA   GLY  42          HA1       GLY  42   8.645  -9.762  -3.129
  333   2HA   GLY  42          HA2       GLY  42   7.502 -11.097  -2.868
  334    H    GLU  43           H        GLU  43   7.268  -9.608  -5.053
  335    HA   GLU  43           HA       GLU  43   5.580  -7.292  -4.702
  336   1HB   GLU  43          HB2       GLU  43   7.025  -7.097  -6.465
  337   2HB   GLU  43          HB3       GLU  43   6.843  -8.713  -7.050
  338   1HG   GLU  43          HG2       GLU  43   4.673  -8.418  -7.908
  339   2HG   GLU  43          HG3       GLU  43   4.586  -6.744  -7.351
  340    H    GLU  44           H        GLU  44   5.049 -10.626  -5.934
  341    HA   GLU  44           HA       GLU  44   2.524 -10.311  -6.915
  342   1HB   GLU  44          HB2       GLU  44   3.590 -12.759  -5.428
  343   2HB   GLU  44          HB3       GLU  44   2.199 -12.731  -6.520
  344   1HG   GLU  44          HG2       GLU  44   3.691 -11.933  -8.369
  345   2HG   GLU  44          HG3       GLU  44   5.092 -12.105  -7.296
  346    H    VAL  45           H        VAL  45   3.249 -11.197  -3.505
  347    HA   VAL  45           HA       VAL  45   0.563 -11.225  -2.643
  348    HB   VAL  45           HB       VAL  45   2.580 -12.151  -1.462
  349   1HG1  VAL  45          HG11      VAL  45   3.799 -10.771   0.114
  350   2HG1  VAL  45          HG12      VAL  45   4.013 -10.121  -1.521
  351   3HG1  VAL  45          HG13      VAL  45   2.917  -9.320  -0.373
  352   1HG2  VAL  45          HG21      VAL  45   0.403 -12.146  -0.400
  353   2HG2  VAL  45          HG22      VAL  45   1.660 -11.787   0.799
  354   3HG2  VAL  45          HG23      VAL  45   0.636 -10.483   0.165
  355    H    LEU  46           H        LEU  46   2.788  -8.470  -3.120
  356    HA   LEU  46           HA       LEU  46   1.046  -6.573  -1.735
  357   1HB   LEU  46          HB2       LEU  46   3.368  -6.177  -3.666
  358   2HB   LEU  46          HB3       LEU  46   2.439  -4.867  -2.949
  359    HG   LEU  46           HG       LEU  46   3.976  -6.930  -1.313
  360   1HD1  LEU  46          HD11      LEU  46   5.581  -5.641  -2.583
  361   2HD1  LEU  46          HD12      LEU  46   4.687  -4.131  -2.274
  362   3HD1  LEU  46          HD13      LEU  46   5.544  -4.921  -0.962
  363   1HD2  LEU  46          HD21      LEU  46   3.748  -5.199   0.463
  364   2HD2  LEU  46          HD22      LEU  46   2.679  -4.259  -0.589
  365   3HD2  LEU  46          HD23      LEU  46   2.181  -5.864  -0.005
  366    H    ARG  47           H        ARG  47   1.451  -7.813  -5.063
  367    HA   ARG  47           HA       ARG  47  -0.231  -5.779  -6.255
  368   1HB   ARG  47          HB2       ARG  47   1.317  -7.088  -7.617
  369   2HB   ARG  47          HB3       ARG  47   0.450  -8.586  -7.229
  370   1HG   ARG  47          HG2       ARG  47  -1.592  -7.739  -8.307
  371   2HG   ARG  47          HG3       ARG  47  -0.808  -6.198  -8.670
  372   1HD   ARG  47          HD2       ARG  47   0.181  -8.902  -9.712
  373   2HD   ARG  47          HD3       ARG  47  -1.025  -7.923 -10.535
  374    HE   ARG  47           HE       ARG  47   0.519  -6.300 -11.138
  375   1HH1  ARG  47          HH22      ARG  47   2.215  -8.812  -9.202
  376   2HH1  ARG  47          HH21      ARG  47   3.770  -8.137  -9.721
  377   1HH2  ARG  47          HH11      ARG  47   2.564  -5.619 -11.726
  378   2HH2  ARG  47          HH12      ARG  47   3.981  -6.428 -10.964
  379    H    GLU  48           H        GLU  48  -0.735  -9.111  -5.167
  380    HA   GLU  48           HA       GLU  48  -3.450  -9.506  -5.559
  381   1HB   GLU  48          HB2       GLU  48  -1.716 -11.142  -4.783
  382   2HB   GLU  48          HB3       GLU  48  -1.658 -10.302  -3.231
  383   1HG   GLU  48          HG2       GLU  48  -2.990 -12.316  -3.002
  384   2HG   GLU  48          HG3       GLU  48  -4.098 -10.946  -2.890
  385    H    GLN  49           H        GLN  49  -1.819  -8.031  -2.705
  386    HA   GLN  49           HA       GLN  49  -4.327  -7.598  -1.325
  387   1HB   GLN  49          HB2       GLN  49  -2.062  -8.240  -0.364
  388   2HB   GLN  49          HB3       GLN  49  -1.538  -6.582  -0.692
  389   1HG   GLN  49          HG2       GLN  49  -2.132  -6.642   1.558
  390   2HG   GLN  49          HG3       GLN  49  -3.511  -5.839   0.777
  391   1HE2  GLN  49          HE21      GLN  49  -5.478  -6.547   1.542
  392   2HE2  GLN  49          HE22      GLN  49  -5.777  -8.164   2.163
  393    H    ALA  50           H        ALA  50  -2.214  -5.688  -3.409
  394    HA   ALA  50           HA       ALA  50  -2.974  -3.107  -2.575
  395   1HB   ALA  50          HB1       ALA  50  -1.923  -4.131  -5.241
  396   2HB   ALA  50          HB2       ALA  50  -2.085  -2.415  -4.838
  397   3HB   ALA  50          HB3       ALA  50  -0.999  -3.429  -3.886
  398    H    GLY  51           H        GLY  51  -4.113  -1.531  -3.997
  399   1HA   GLY  51          HA1       GLY  51  -6.256  -0.778  -4.284
  400   2HA   GLY  51          HA2       GLY  51  -6.278  -1.898  -5.641
  401    H    GLY  52           H        GLY  52  -5.946  -1.965  -2.064
  402   1HA   GLY  52          HA1       GLY  52  -8.617  -1.981  -1.384
  403   2HA   GLY  52          HA2       GLY  52  -8.044  -3.681  -1.368
  404    H    ASP  53           H        ASP  53  -8.434  -3.390   0.830
  405    HA   ASP  53           HA       ASP  53  -6.766  -1.808   2.600
  406   1HB   ASP  53          HB2       ASP  53  -8.901  -2.627   3.471
  407   2HB   ASP  53          HB3       ASP  53  -8.394  -4.313   3.195
  408    H    ALA  54           H        ALA  54  -4.868  -2.270   3.530
  409    HA   ALA  54           HA       ALA  54  -4.116  -5.112   3.738
  410   1HB   ALA  54          HB1       ALA  54  -2.779  -4.085   1.784
  411   2HB   ALA  54          HB2       ALA  54  -1.972  -3.099   2.992
  412   3HB   ALA  54          HB3       ALA  54  -1.869  -4.865   3.103
  413    H    THR  55           H        THR  55  -5.195  -2.715   5.447
  414    HA   THR  55           HA       THR  55  -3.139  -1.814   7.124
  415    HB   THR  55           HB       THR  55  -6.066  -2.292   7.911
  416    HG1  THR  55           HG1      THR  55  -6.059  -1.097   6.063
  417   1HG2  THR  55          HG21      THR  55  -5.649  -0.295   9.355
  418   2HG2  THR  55          HG22      THR  55  -4.603  -1.653   9.806
  419   3HG2  THR  55          HG23      THR  55  -3.943  -0.312   8.848
  420    H    GLU  56           H        GLU  56  -5.452  -4.533   7.633
  421    HA   GLU  56           HA       GLU  56  -4.367  -5.335  10.127
  422   1HB   GLU  56          HB2       GLU  56  -6.675  -5.850   9.258
  423   2HB   GLU  56          HB3       GLU  56  -5.978  -6.916   8.032
  424   1HG   GLU  56          HG2       GLU  56  -5.095  -8.387   9.821
  425   2HG   GLU  56          HG3       GLU  56  -5.743  -7.283  11.049
  426    H    ASN  57           H        ASN  57  -3.957  -6.726   6.806
  427    HA   ASN  57           HA       ASN  57  -2.167  -8.729   7.551
  428   1HB   ASN  57          HB2       ASN  57  -3.295  -8.372   5.321
  429   2HB   ASN  57          HB3       ASN  57  -2.034  -7.200   4.919
  430   1HD2  ASN  57          HD21      ASN  57  -2.460  -9.493   3.302
  431   2HD2  ASN  57          HD22      ASN  57  -1.108 -10.580   3.551
  432    H    PHE  58           H        PHE  58  -1.379  -5.366   6.572
  433    HA   PHE  58           HA       PHE  58   1.428  -5.538   6.747
  434   1HB   PHE  58          HB2       PHE  58   0.200  -3.659   5.737
  435   2HB   PHE  58          HB3       PHE  58  -0.429  -3.189   7.308
  436    HD1  PHE  58           HD1      PHE  58   2.795  -3.759   5.487
  437    HD2  PHE  58           HD2      PHE  58   0.814  -1.652   8.675
  438    HE1  PHE  58           HE1      PHE  58   4.821  -2.351   5.825
  439    HE2  PHE  58           HE2      PHE  58   2.783  -0.227   8.971
  440    HZ   PHE  58           HZ       PHE  58   4.816  -0.570   7.538
  441    H    GLU  59           H        GLU  59  -0.878  -4.326   9.255
  442    HA   GLU  59           HA       GLU  59   1.168  -3.864  11.169
  443   1HB   GLU  59          HB2       GLU  59  -1.861  -4.117  11.264
  444   2HB   GLU  59          HB3       GLU  59  -0.936  -3.853  12.731
  445   1HG   GLU  59          HG2       GLU  59  -0.814  -2.047  10.256
  446   2HG   GLU  59          HG3       GLU  59  -1.757  -1.729  11.711
  447    H    ASP  60           H        ASP  60  -1.070  -6.517  10.763
  448    HA   ASP  60           HA       ASP  60  -0.646  -8.135  12.944
  449   1HB   ASP  60          HB2       ASP  60  -2.394  -8.466  11.175
  450   2HB   ASP  60          HB3       ASP  60  -1.125  -8.983  10.056
  451    H    HIS  61           H        HIS  61   1.162  -8.194   9.828
  452    HA   HIS  61           HA       HIS  61   2.998 -10.250  10.461
  453   1HB   HIS  61          HB2       HIS  61   2.879  -9.291   8.232
  454   2HB   HIS  61          HB3       HIS  61   3.476  -7.740   8.838
  455    HD1  HIS  61           HD1      HIS  61   4.956 -11.213   9.675
  456    HD2  HIS  61           HD2      HIS  61   5.962  -7.475   8.062
  457    HE1  HIS  61           HE1      HIS  61   7.492 -11.140   9.511
  458    H    GLY  62           H        GLY  62   2.889  -6.923  11.697
  459   1HA   GLY  62          HA1       GLY  62   4.148  -5.915  13.322
  460   2HA   GLY  62          HA2       GLY  62   5.014  -7.432  13.607
  461    H    HIS  63           HN       HIS  63   4.602  -5.464  10.649
  462    HA   HIS  63           HA       HIS  63   7.195  -5.575   9.649
  463   1HB   HIS  63          HB2       HIS  63   4.950  -3.535   9.461
  464   2HB   HIS  63          HB3       HIS  63   6.506  -3.201   8.722
  465    HD1  HIS  63           HD1      HIS  63   3.513  -5.509   8.219
  466    HD2  HIS  63           HD2      HIS  63   7.240  -4.501   6.580
  467    HE1  HIS  63           HE1      HIS  63   3.543  -6.500   5.880
  468    H    SER  64           H        SER  64   9.035  -4.202   9.753
  469    HA   SER  64           HA       SER  64   9.796  -3.369  12.345
  470   1HB   SER  64          HB2       SER  64  11.692  -2.221  11.142
  471   2HB   SER  64          HB3       SER  64  11.454  -3.905  10.653
  472    HG   SER  64           HG       SER  64  10.952  -3.289   8.737
  473    H    THR  65           H        THR  65  10.216  -1.237  13.190
  474    HA   THR  65           HA       THR  65   8.362   0.887  12.921
  475    HB   THR  65           HB       THR  65  10.699   2.041  13.742
  476    HG1  THR  65           HG1      THR  65  12.071   0.257  13.144
  477   1HG2  THR  65          HG21      THR  65  10.313   1.139  16.013
  478   2HG2  THR  65          HG22      THR  65   8.781   1.575  15.231
  479   3HG2  THR  65          HG23      THR  65   9.269  -0.132  15.343
  480    H    ASP  66           H        ASP  66  11.405   0.137  11.280
  481    HA   ASP  66           HA       ASP  66  11.720   2.433   9.793
  482   1HB   ASP  66          HB2       ASP  66  12.634  -0.409   9.156
  483   2HB   ASP  66          HB3       ASP  66  13.420   1.101   8.684
  484    H    ALA  67           H        ALA  67  10.192  -0.705   8.867
  485    HA   ALA  67           HA       ALA  67   9.445   0.004   6.213
  486   1HB   ALA  67          HB1       ALA  67   7.791  -1.870   6.506
  487   2HB   ALA  67          HB2       ALA  67   9.460  -2.305   6.930
  488   3HB   ALA  67          HB3       ALA  67   8.286  -1.970   8.207
  489    H    ARG  68           H        ARG  68   7.869   0.145   9.373
  490    HA   ARG  68           HA       ARG  68   5.409   1.371   8.707
  491   1HB   ARG  68          HB2       ARG  68   7.064   0.884  11.109
  492   2HB   ARG  68          HB3       ARG  68   5.924   2.181  11.312
  493   1HG   ARG  68          HG2       ARG  68   4.069   0.738  10.703
  494   2HG   ARG  68          HG3       ARG  68   5.162  -0.553  10.150
  495   1HD   ARG  68          HD2       ARG  68   5.912  -0.946  12.420
  496   2HD   ARG  68          HD3       ARG  68   4.899   0.369  13.028
  497    HE   ARG  68           HE       ARG  68   2.906  -1.026  12.006
  498   1HH1  ARG  68          HH22      ARG  68   5.734  -2.898  13.014
  499   2HH1  ARG  68          HH21      ARG  68   4.859  -3.847  14.172
  500   1HH2  ARG  68          HH11      ARG  68   1.745  -2.354  13.502
  501   2HH2  ARG  68          HH12      ARG  68   2.490  -3.838  14.013
  502    H    GLU  69           H        GLU  69   8.580   3.016   9.527
  503    HA   GLU  69           HA       GLU  69   7.600   5.643   9.219
  504   1HB   GLU  69          HB2       GLU  69   9.955   4.782  10.010
  505   2HB   GLU  69          HB3       GLU  69  10.364   4.797   8.292
  506   1HG   GLU  69          HG2       GLU  69   9.585   7.118  10.073
  507   2HG   GLU  69          HG3       GLU  69  11.086   6.882   9.175
  508    H    LEU  70           H        LEU  70   9.167   3.406   6.902
  509    HA   LEU  70           HA       LEU  70   8.962   4.945   4.676
  510   1HB   LEU  70          HB2       LEU  70   9.390   2.108   5.209
  511   2HB   LEU  70          HB3       LEU  70   8.320   2.226   3.870
  512    HG   LEU  70           HG       LEU  70  10.362   2.169   2.838
  513   1HD1  LEU  70          HD11      LEU  70   9.111   4.471   2.390
  514   2HD1  LEU  70          HD12      LEU  70  10.530   5.165   3.181
  515   3HD1  LEU  70          HD13      LEU  70  10.740   4.178   1.730
  516   1HD2  LEU  70          HD21      LEU  70  11.492   3.897   5.067
  517   2HD2  LEU  70          HD22      LEU  70  11.691   2.139   4.861
  518   3HD2  LEU  70          HD23      LEU  70  12.417   3.257   3.687
  519    H    SER  71           H        SER  71   6.342   3.011   6.109
  520    HA   SER  71           HA       SER  71   4.512   3.434   3.908
  521   1HB   SER  71          HB2       SER  71   2.911   2.354   5.215
  522   2HB   SER  71          HB3       SER  71   4.399   1.665   5.851
  523    HG   SER  71           HG       SER  71   4.253   3.277   7.534
  524    H    LYS  72           H        LYS  72   5.315   5.334   6.778
  525    HA   LYS  72           HA       LYS  72   3.158   7.231   6.415
  526   1HB   LYS  72          HB2       LYS  72   5.891   7.860   7.566
  527   2HB   LYS  72          HB3       LYS  72   4.360   8.709   7.838
  528   1HG   LYS  72          HG2       LYS  72   3.505   6.423   8.743
  529   2HG   LYS  72          HG3       LYS  72   5.205   5.964   8.837
  530   1HD   LYS  72          HD2       LYS  72   3.946   8.412  10.199
  531   2HD   LYS  72          HD3       LYS  72   4.142   6.840  10.959
  532   1HE   LYS  72          HE2       LYS  72   5.878   8.314  11.729
  533   2HE   LYS  72          HE3       LYS  72   6.592   6.980  10.820
  534   1HZ   LYS  72          HZ1       LYS  72   6.103   9.632   9.602
  535   2HZ   LYS  72          HZ2       LYS  72   7.515   9.216  10.343
  536   3HZ   LYS  72          HZ3       LYS  72   7.084   8.432   9.043
  537    H    THR  73           H        THR  73   6.565   7.139   5.384
  538    HA   THR  73           HA       THR  73   6.578   9.463   3.782
  539    HB   THR  73           HB       THR  73   8.246   6.920   3.739
  540    HG1  THR  73           HG1      THR  73   9.053   7.974   5.448
  541   1HG2  THR  73          HG21      THR  73   8.748   9.553   2.299
  542   2HG2  THR  73          HG22      THR  73   9.937   8.250   2.531
  543   3HG2  THR  73          HG23      THR  73   8.501   7.964   1.534
  544    H    PHE  74           H        PHE  74   5.408   6.176   3.005
  545    HA   PHE  74           HA       PHE  74   4.921   6.854   0.196
  546   1HB   PHE  74          HB2       PHE  74   3.869   4.555   1.852
  547   2HB   PHE  74          HB3       PHE  74   3.837   4.674   0.103
  548    HD1  PHE  74           HD1      PHE  74   4.940   2.441   1.870
  549    HD2  PHE  74           HD2      PHE  74   6.764   5.669  -0.314
  550    HE1  PHE  74           HE1      PHE  74   6.972   1.083   1.545
  551    HE2  PHE  74           HE2      PHE  74   8.863   4.373  -0.469
  552    HZ   PHE  74           HZ       PHE  74   9.029   2.148   0.670
  553    H    ILE  75           H        ILE  75   3.181   7.652   3.050
  554    HA   ILE  75           HA       ILE  75   0.557   7.431   2.045
  555    HB   ILE  75           HB       ILE  75   1.721   9.523   3.881
  556   1HG1  ILE  75          HG12      ILE  75  -0.361   7.323   4.291
  557   2HG1  ILE  75          HG13      ILE  75   1.347   7.028   4.394
  558   1HG2  ILE  75          HG21      ILE  75  -1.187   9.228   2.991
  559   2HG2  ILE  75          HG22      ILE  75  -0.639  10.182   4.385
  560   3HG2  ILE  75          HG23      ILE  75  -0.156  10.660   2.767
  561   1HD1  ILE  75          HD11      ILE  75  -0.267   8.894   6.187
  562   2HD1  ILE  75          HD12      ILE  75   0.540   7.388   6.646
  563   3HD1  ILE  75          HD13      ILE  75   1.502   8.816   6.202
  564    H    ILE  76           H        ILE  76  -0.339   8.083   0.281
  565    HA   ILE  76           HA       ILE  76   0.637  10.537  -1.177
  566    HB   ILE  76           HB       ILE  76  -0.447   9.311  -3.143
  567   1HG1  ILE  76          HG12      ILE  76  -0.053   6.797  -1.496
  568   2HG1  ILE  76          HG13      ILE  76  -1.597   7.655  -1.380
  569   1HG2  ILE  76          HG21      ILE  76   1.515   7.996  -3.618
  570   2HG2  ILE  76          HG22      ILE  76   1.968   9.523  -2.858
  571   3HG2  ILE  76          HG23      ILE  76   2.004   8.027  -1.913
  572   1HD1  ILE  76          HD11      ILE  76  -2.334   6.992  -3.372
  573   2HD1  ILE  76          HD12      ILE  76  -0.737   7.121  -4.144
  574   3HD1  ILE  76          HD13      ILE  76  -1.166   5.706  -3.133
  575    H    GLY  77           H        GLY  77  -2.006   9.351   0.656
  576   1HA   GLY  77          HA1       GLY  77  -4.228  10.913  -0.645
  577   2HA   GLY  77          HA2       GLY  77  -3.945   9.259  -1.145
  578    H    GLU  78           H        GLU  78  -6.249   9.966  -0.037
  579    HA   GLU  78           HA       GLU  78  -6.231   8.029   2.162
  580   1HB   GLU  78          HB2       GLU  78  -8.017  10.523   1.936
  581   2HB   GLU  78          HB3       GLU  78  -7.990   9.357   3.260
  582   1HG   GLU  78          HG2       GLU  78  -6.722  11.008   4.261
  583   2HG   GLU  78          HG3       GLU  78  -5.524   9.915   3.567
  584    H    LEU  79           H        LEU  79  -8.161   6.955   2.434
  585    HA   LEU  79           HA       LEU  79  -9.379   6.182  -0.107
  586   1HB   LEU  79          HB2       LEU  79  -8.584   4.541   1.524
  587   2HB   LEU  79          HB3       LEU  79  -9.690   5.169   2.733
  588    HG   LEU  79           HG       LEU  79 -10.063   3.064   0.893
  589   1HD1  LEU  79          HD11      LEU  79 -12.140   4.433   2.631
  590   2HD1  LEU  79          HD12      LEU  79 -12.138   2.740   2.081
  591   3HD1  LEU  79          HD13      LEU  79 -10.910   3.275   3.229
  592   1HD2  LEU  79          HD21      LEU  79 -12.024   3.405  -0.317
  593   2HD2  LEU  79          HD22      LEU  79 -12.286   5.023   0.318
  594   3HD2  LEU  79          HD23      LEU  79 -10.949   4.710  -0.816
  595    H    HIS  80           H        HIS  80 -11.017   7.383  -0.859
  596    HA   HIS  80           HA       HIS  80 -12.140   9.259   0.493
  597   1HB   HIS  80          HB2       HIS  80 -12.024   8.964  -1.929
  598   2HB   HIS  80          HB3       HIS  80 -13.377   7.868  -1.875
  599    HD1  HIS  80           HD1      HIS  80 -15.642   9.099  -2.296
  600    HD2  HIS  80           HD2      HIS  80 -12.355  11.570  -1.347
  601    HE1  HIS  80           HE1      HIS  80 -16.470  11.540  -2.488
  602    HA   PRO  81           HA       PRO  81 -15.203   7.965   3.048
  603   1HB   PRO  81          HB2       PRO  81 -16.774  10.561   2.557
  604   2HB   PRO  81          HB3       PRO  81 -16.144   9.967   4.070
  605   1HG   PRO  81          HG2       PRO  81 -14.905  12.032   2.620
  606   2HG   PRO  81          HG3       PRO  81 -13.820  10.743   3.246
  607   1HD   PRO  81          HD2       PRO  81 -15.286  10.820   0.595
  608   2HD   PRO  81          HD3       PRO  81 -13.547  10.777   0.895
  609    H    ASP  82           H        ASP  82 -16.590   8.997   0.105
  610    HA   ASP  82           HA       ASP  82 -19.235   8.023   0.887
  611   1HB   ASP  82          HB2       ASP  82 -18.822   9.941  -0.765
  612   2HB   ASP  82          HB3       ASP  82 -18.279   8.693  -1.913
  613    H    ASP  83           H        ASP  83 -16.340   6.726   0.147
  614    HA   ASP  83           HA       ASP  83 -16.944   4.673  -1.826
  615   1HB   ASP  83          HB2       ASP  83 -14.655   6.259  -0.674
  616   2HB   ASP  83          HB3       ASP  83 -14.236   4.831  -1.573
  617    H    ARG  84           H        ARG  84 -14.687   4.843   0.933
  618    HA   ARG  84           HA       ARG  84 -14.266   3.516   2.709
  619   1HB   ARG  84          HB2       ARG  84 -17.093   2.485   2.414
  620   2HB   ARG  84          HB3       ARG  84 -16.070   2.377   3.855
  621   1HG   ARG  84          HG2       ARG  84 -15.989   4.848   3.998
  622   2HG   ARG  84          HG3       ARG  84 -16.937   4.954   2.510
  623   1HD   ARG  84          HD2       ARG  84 -18.755   3.594   3.743
  624   2HD   ARG  84          HD3       ARG  84 -17.870   4.044   5.229
  625    HE   ARG  84           HE       ARG  84 -18.333   6.197   3.294
  626   1HH1  ARG  84          HH22      ARG  84 -19.858   4.716   6.095
  627   2HH1  ARG  84          HH21      ARG  84 -20.604   6.198   6.631
  628   1HH2  ARG  84          HH11      ARG  84 -19.128   8.011   3.895
  629   2HH2  ARG  84          HH12      ARG  84 -20.249   8.211   5.238
  630    HHA  HEM 201           HGM      HEM 201   9.106  -9.047   5.493
  631    HHB  HEM 201           HDM      HEM 201   9.281  -2.743   4.156
  632    HHC  HEM 201           HAM      HEM 201   3.009  -2.918   2.746
  633    HHD  HEM 201           HBM      HEM 201   3.042  -9.344   3.363
  634   1HMA  HEM 201          HM81      HEM 201  11.645  -3.881   4.072
  635   2HMA  HEM 201          HM82      HEM 201  11.076  -3.360   5.675
  636   3HMA  HEM 201          HM83      HEM 201  12.217  -4.695   5.530
  637   1HAA  HEM 201          HP71      HEM 201  11.093  -8.250   6.104
  638   2HAA  HEM 201          HP72      HEM 201  12.052  -6.708   6.254
  639   1HBA  HEM 201          HP73      HEM 201  11.318  -7.444   8.440
  640   2HBA  HEM 201          HP74      HEM 201   9.573  -7.447   7.867
  641   1HMB  HEM 201          HM11      HEM 201   8.221  -0.369   2.633
  642   2HMB  HEM 201          HM12      HEM 201   7.019   0.297   3.768
  643   3HMB  HEM 201          HM13      HEM 201   8.364  -0.657   4.363
  644    HAB  HEM 201          HT2A      HEM 201   3.968  -1.133   1.689
  645   1HBB  HEM 201          HV2C      HEM 201   4.798   0.854   3.671
  646   2HBB  HEM 201          HV2T      HEM 201   3.044   0.405   3.132
  647   1HMC  HEM 201          HM31      HEM 201   1.133  -3.748   1.858
  648   2HMC  HEM 201          HM32      HEM 201   0.075  -5.160   1.986
  649   3HMC  HEM 201          HM33      HEM 201   0.429  -4.165   3.431
  650    HAC  HEM 201          HT4A      HEM 201   0.156  -7.759   3.567
  651   1HBC  HEM 201          HV4C      HEM 201   1.131  -8.019   0.675
  652   2HBC  HEM 201          HV4T      HEM 201  -0.484  -8.614   1.396
  653   1HMD  HEM 201          HM51      HEM 201   4.315 -11.643   3.083
  654   2HMD  HEM 201          HM52      HEM 201   5.077 -12.360   4.517
  655   3HMD  HEM 201          HM53      HEM 201   3.653 -11.334   4.707
  656   1HAD  HEM 201          HP61      HEM 201   7.331 -12.204   4.197
  657   2HAD  HEM 201          HP62      HEM 201   8.694 -11.125   4.736
  658   1HBD  HEM 201          HP63      HEM 201   7.876 -11.195   7.006
  659   2HBD  HEM 201          HP64      HEM 201   6.465 -12.253   6.494
  Start of MODEL    4
    1   1H    ALA   3          H1        ALA   3  -6.210  21.654   0.997
    2   2H    ALA   3          H2        ALA   3  -7.360  21.581  -0.156
    3   3H    ALA   3          H3        ALA   3  -7.715  22.334   1.286
    4    HA   ALA   3           HA       ALA   3  -7.661  20.344   2.475
    5   1HB   ALA   3          HB1       ALA   3  -9.694  20.554   1.001
    6   2HB   ALA   3          HB2       ALA   3  -8.848  19.617  -0.249
    7   3HB   ALA   3          HB3       ALA   3  -9.249  18.873   1.313
    8    H    VAL   4           H        VAL   4  -7.564  17.663   1.376
    9    HA   VAL   4           HA       VAL   4  -4.695  17.381   0.711
   10    HB   VAL   4           HB       VAL   4  -6.568  15.029   0.672
   11   1HG1  VAL   4          HG11      VAL   4  -4.680  13.923   1.744
   12   2HG1  VAL   4          HG12      VAL   4  -4.037  14.873   0.396
   13   3HG1  VAL   4          HG13      VAL   4  -3.886  15.479   2.054
   14   1HG2  VAL   4          HG21      VAL   4  -7.600  15.949   2.461
   15   2HG2  VAL   4          HG22      VAL   4  -6.472  14.739   3.093
   16   3HG2  VAL   4          HG23      VAL   4  -6.065  16.468   3.238
   17    H    LYS   5           H        LYS   5  -5.520  15.011  -1.004
   18    HA   LYS   5           HA       LYS   5  -7.182  16.268  -3.098
   19   1HB   LYS   5          HB2       LYS   5  -5.399  13.782  -3.287
   20   2HB   LYS   5          HB3       LYS   5  -6.597  14.291  -4.488
   21   1HG   LYS   5          HG2       LYS   5  -5.300  16.293  -5.018
   22   2HG   LYS   5          HG3       LYS   5  -4.211  15.995  -3.658
   23   1HD   LYS   5          HD2       LYS   5  -3.068  15.298  -5.650
   24   2HD   LYS   5          HD3       LYS   5  -3.462  13.867  -4.688
   25   1HE   LYS   5          HE2       LYS   5  -5.489  13.509  -6.203
   26   2HE   LYS   5          HE3       LYS   5  -4.923  14.857  -7.195
   27   1HZ   LYS   5          HZ1       LYS   5  -3.443  12.357  -6.647
   28   2HZ   LYS   5          HZ2       LYS   5  -4.257  12.694  -8.033
   29   3HZ   LYS   5          HZ3       LYS   5  -2.923  13.572  -7.633
   30    H    TYR   6           H        TYR   6  -6.324  13.353  -1.371
   31    HA   TYR   6           HA       TYR   6  -7.435  11.632  -0.501
   32   1HB   TYR   6          HB2       TYR   6 -10.142  13.023  -0.912
   33   2HB   TYR   6          HB3       TYR   6  -9.721  11.552  -0.079
   34    HD1  TYR   6           HD1      TYR   6 -11.407  13.471   1.234
   35    HD2  TYR   6           HD2      TYR   6  -7.146  12.856   1.275
   36    HE1  TYR   6           HE1      TYR   6 -11.483  12.920   3.632
   37    HE2  TYR   6           HE2      TYR   6  -7.244  12.239   3.530
   38    HH   TYR   6           HH       TYR   6  -8.598  11.581   5.278
   39    H    TYR   7           H        TYR   7  -8.628   9.928  -1.092
   40    HA   TYR   7           HA       TYR   7  -8.753   9.590  -4.010
   41   1HB   TYR   7          HB2       TYR   7  -6.781   9.025  -1.935
   42   2HB   TYR   7          HB3       TYR   7  -7.236   7.558  -2.542
   43    HD1  TYR   7           HD1      TYR   7  -4.563   8.003  -2.671
   44    HD2  TYR   7           HD2      TYR   7  -7.319   9.934  -5.392
   45    HE1  TYR   7           HE1      TYR   7  -2.712   9.204  -3.751
   46    HE2  TYR   7           HE2      TYR   7  -5.521  11.190  -6.340
   47    HH   TYR   7           HH       TYR   7  -2.233  11.082  -4.901
   48    H    THR   8           H        THR   8 -10.098   8.230  -4.749
   49    HA   THR   8           HA       THR   8 -12.157   7.275  -2.897
   50    HB   THR   8           HB       THR   8 -13.330   6.880  -5.140
   51    HG1  THR   8           HG1      THR   8 -12.228   8.023  -6.882
   52   1HG2  THR   8          HG21      THR   8 -13.668   8.944  -3.795
   53   2HG2  THR   8          HG22      THR   8 -12.266   9.695  -4.588
   54   3HG2  THR   8          HG23      THR   8 -13.712   9.287  -5.533
   55    H    LEU   9           H        LEU   9 -12.724   5.053  -2.730
   56    HA   LEU   9           HA       LEU   9 -10.968   2.957  -3.231
   57   1HB   LEU   9          HB2       LEU   9 -12.679   2.492  -1.959
   58   2HB   LEU   9          HB3       LEU   9 -13.944   3.163  -2.996
   59    HG   LEU   9           HG       LEU   9 -12.415   0.601  -3.659
   60   1HD1  LEU   9          HD11      LEU   9 -14.256  -0.647  -2.605
   61   2HD1  LEU   9          HD12      LEU   9 -13.394   0.348  -1.423
   62   3HD1  LEU   9          HD13      LEU   9 -14.975   0.879  -2.041
   63   1HD2  LEU   9          HD21      LEU   9 -14.612   0.057  -4.834
   64   2HD2  LEU   9          HD22      LEU   9 -15.138   1.716  -4.513
   65   3HD2  LEU   9          HD23      LEU   9 -13.751   1.393  -5.574
   66    H    GLU  10           H        GLU  10 -13.255   4.360  -5.568
   67    HA   GLU  10           HA       GLU  10 -12.888   2.837  -7.820
   68   1HB   GLU  10          HB2       GLU  10 -14.263   4.900  -7.634
   69   2HB   GLU  10          HB3       GLU  10 -12.806   5.888  -7.648
   70   1HG   GLU  10          HG2       GLU  10 -13.832   5.925  -9.831
   71   2HG   GLU  10          HG3       GLU  10 -12.284   5.087  -9.951
   72    H    GLU  11           H        GLU  11 -10.741   5.567  -6.894
   73    HA   GLU  11           HA       GLU  11  -8.737   5.043  -8.923
   74   1HB   GLU  11          HB2       GLU  11  -8.734   6.591  -6.268
   75   2HB   GLU  11          HB3       GLU  11  -7.307   6.445  -7.274
   76   1HG   GLU  11          HG2       GLU  11  -9.879   7.494  -8.503
   77   2HG   GLU  11          HG3       GLU  11  -8.891   8.544  -7.477
   78    H    ILE  12           H        ILE  12  -8.994   4.340  -5.440
   79    HA   ILE  12           HA       ILE  12  -6.367   3.488  -5.290
   80    HB   ILE  12           HB       ILE  12  -8.722   2.724  -3.494
   81   1HG1  ILE  12          HG12      ILE  12  -6.536   4.734  -2.827
   82   2HG1  ILE  12          HG13      ILE  12  -7.906   5.258  -3.797
   83   1HG2  ILE  12          HG21      ILE  12  -5.744   2.332  -3.128
   84   2HG2  ILE  12          HG22      ILE  12  -6.881   2.379  -1.772
   85   3HG2  ILE  12          HG23      ILE  12  -7.072   1.140  -3.002
   86   1HD1  ILE  12          HD11      ILE  12  -8.310   5.745  -1.474
   87   2HD1  ILE  12          HD12      ILE  12  -9.463   4.517  -2.019
   88   3HD1  ILE  12          HD13      ILE  12  -8.084   4.059  -1.000
   89    H    GLN  13           H        GLU  13  -9.289   1.629  -5.954
   90    HA   GLN  13           HA       GLU  13  -8.094  -0.989  -5.864
   91   1HB   GLN  13          HB2       GLU  13 -10.511   0.174  -7.330
   92   2HB   GLN  13          HB3       GLU  13 -10.008  -1.507  -7.543
   93   1HG   GLN  13          HG2       GLU  13 -10.267  -1.940  -5.143
   94   2HG   GLN  13          HG3       GLU  13 -10.749  -0.260  -4.879
   95    H    LYS  14           H        LYS  14  -8.611   1.447  -8.346
   96    HA   LYS  14           HA       LYS  14  -7.801   0.073 -10.638
   97   1HB   LYS  14          HB2       LYS  14  -8.766   2.567 -10.082
   98   2HB   LYS  14          HB3       LYS  14  -7.112   2.977 -10.182
   99   1HG   LYS  14          HG2       LYS  14  -8.153   3.401 -12.281
  100   2HG   LYS  14          HG3       LYS  14  -7.127   1.979 -12.528
  101   1HD   LYS  14          HD2       LYS  14  -9.240   1.675 -13.644
  102   2HD   LYS  14          HD3       LYS  14  -9.165   0.498 -12.349
  103   1HE   LYS  14          HE2       LYS  14 -10.627   3.186 -12.065
  104   2HE   LYS  14          HE3       LYS  14 -11.380   1.775 -12.805
  105   1HZ   LYS  14          HZ1       LYS  14 -12.035   1.889 -10.634
  106   2HZ   LYS  14          HZ2       LYS  14 -11.035   0.586 -10.681
  107   3HZ   LYS  14          HZ3       LYS  14 -10.577   2.022  -9.988
  108    H    HIS  15           H        HIS  15  -5.872   1.959  -8.291
  109    HA   HIS  15           HA       HIS  15  -3.332   1.407  -9.646
  110   1HB   HIS  15          HB2       HIS  15  -4.100   2.746  -7.045
  111   2HB   HIS  15          HB3       HIS  15  -2.432   2.352  -7.522
  112    HD1  HIS  15           HD1      HIS  15  -1.229   4.243  -8.556
  113    HD2  HIS  15           HD2      HIS  15  -5.341   4.255  -9.402
  114    HE1  HIS  15           HE1      HIS  15  -1.650   6.222 -10.143
  115    H    ASN  16           H        ASN  16  -3.939  -0.936  -9.649
  116    HA   ASN  16           HA       ASN  16  -2.025  -2.139  -7.766
  117   1HB   ASN  16          HB2       ASN  16  -3.383  -3.866  -6.893
  118   2HB   ASN  16          HB3       ASN  16  -4.195  -2.326  -6.579
  119   1HD2  ASN  16          HD21      ASN  16  -5.797  -4.274  -6.167
  120   2HD2  ASN  16          HD22      ASN  16  -6.889  -4.568  -7.520
  121    H    ASN  17           H        ASN  17  -1.982  -1.648 -10.624
  122    HA   ASN  17           HA       ASN  17  -1.421  -4.423 -11.489
  123   1HB   ASN  17          HB2       ASN  17  -3.846  -4.113 -11.935
  124   2HB   ASN  17          HB3       ASN  17  -3.467  -2.712 -12.950
  125   1HD2  ASN  17          HD21      ASN  17  -4.699  -4.142 -14.558
  126   2HD2  ASN  17          HD22      ASN  17  -3.742  -5.311 -15.455
  127    H    SER  18           H        SER  18   0.575  -2.924 -11.108
  128    HA   SER  18           HA       SER  18   2.576  -2.792 -12.140
  129   1HB   SER  18          HB2       SER  18   1.637  -4.317 -13.916
  130   2HB   SER  18          HB3       SER  18   1.217  -2.883 -14.871
  131    HG   SER  18           HG       SER  18   3.812  -3.613 -13.979
  132    H    LYS  19           H        LYS  19   0.153  -0.957 -13.900
  133    HA   LYS  19           HA       LYS  19   0.735   1.611 -14.271
  134   1HB   LYS  19          HB2       LYS  19  -1.288   0.166 -12.510
  135   2HB   LYS  19          HB3       LYS  19  -1.334   1.902 -12.562
  136   1HG   LYS  19          HG2       LYS  19  -1.480   0.145 -15.057
  137   2HG   LYS  19          HG3       LYS  19  -2.892   0.661 -14.124
  138   1HD   LYS  19          HD2       LYS  19  -2.264   3.047 -14.454
  139   2HD   LYS  19          HD3       LYS  19  -0.909   2.545 -15.485
  140   1HE   LYS  19          HE2       LYS  19  -2.494   1.453 -17.057
  141   2HE   LYS  19          HE3       LYS  19  -3.855   1.917 -16.020
  142   1HZ   LYS  19          HZ1       LYS  19  -2.051   3.795 -17.399
  143   2HZ   LYS  19          HZ2       LYS  19  -3.588   3.425 -17.847
  144   3HZ   LYS  19          HZ3       LYS  19  -3.316   4.217 -16.434
  145    H    SER  20           H        SER  20   0.330   0.318 -10.956
  146    HA   SER  20           HA       SER  20   2.292   1.590  -9.534
  147   1HB   SER  20          HB2       SER  20   1.603   3.786  -9.941
  148   2HB   SER  20          HB3       SER  20  -0.074   3.307 -10.241
  149    HG   SER  20           HG       SER  20   1.188   3.590  -7.698
  150    H    THR  21           H        THR  21   1.912   1.041  -7.387
  151    HA   THR  21           HA       THR  21  -0.380  -0.808  -6.827
  152    HB   THR  21           HB       THR  21   2.580  -1.110  -6.280
  153    HG1  THR  21           HG1      THR  21   2.046  -3.111  -7.381
  154   1HG2  THR  21          HG21      THR  21   0.209  -2.374  -4.960
  155   2HG2  THR  21          HG22      THR  21   1.658  -3.352  -5.187
  156   3HG2  THR  21          HG23      THR  21   1.726  -1.859  -4.223
  157    H    TRP  22           H        TRP  22  -1.646   0.398  -5.633
  158    HA   TRP  22           HA       TRP  22  -0.657   2.064  -3.387
  159   1HB   TRP  22          HB2       TRP  22  -3.235   1.817  -4.930
  160   2HB   TRP  22          HB3       TRP  22  -3.176   2.641  -3.406
  161    HD1  TRP  22           HD1      TRP  22  -0.103   3.250  -5.476
  162    HE1  TRP  22           HE1      TRP  22  -0.182   5.435  -6.693
  163    HE3  TRP  22           HE3      TRP  22  -4.859   4.556  -4.304
  164    HZ2  TRP  22           HZ2      TRP  22  -2.230   7.479  -7.330
  165    HZ3  TRP  22           HZ3      TRP  22  -5.952   6.500  -5.399
  166    HH2  TRP  22           HH2      TRP  22  -4.678   7.911  -6.986
  167    H    LEU  23           H        LEU  23  -1.549   1.668  -1.230
  168    HA   LEU  23           HA       LEU  23  -3.582  -0.388  -0.993
  169   1HB   LEU  23          HB2       LEU  23  -2.074  -1.110   1.223
  170   2HB   LEU  23          HB3       LEU  23  -2.369  -2.032  -0.173
  171    HG   LEU  23           HG       LEU  23  -0.142  -0.800  -1.085
  172   1HD1  LEU  23          HD11      LEU  23   1.389  -0.484   0.762
  173   2HD1  LEU  23          HD12      LEU  23  -0.088   0.385   1.201
  174   3HD1  LEU  23          HD13      LEU  23   0.245  -1.205   1.915
  175   1HD2  LEU  23          HD21      LEU  23   1.068  -2.809  -0.368
  176   2HD2  LEU  23          HD22      LEU  23  -0.281  -3.251   0.703
  177   3HD2  LEU  23          HD23      LEU  23  -0.512  -3.208  -1.058
  178    H    ILE  24           H        ILE  24  -4.547  -0.336   1.166
  179    HA   ILE  24           HA       ILE  24  -4.240   2.365   2.386
  180    HB   ILE  24           HB       ILE  24  -6.708   0.716   2.880
  181   1HG1  ILE  24          HG12      ILE  24  -6.358   2.346   0.360
  182   2HG1  ILE  24          HG13      ILE  24  -6.494   0.572   0.435
  183   1HG2  ILE  24          HG21      ILE  24  -7.698   2.837   3.185
  184   2HG2  ILE  24          HG22      ILE  24  -6.143   2.832   4.031
  185   3HG2  ILE  24          HG23      ILE  24  -6.298   3.685   2.478
  186   1HD1  ILE  24          HD11      ILE  24  -8.631   1.437  -0.186
  187   2HD1  ILE  24          HD12      ILE  24  -8.716   0.706   1.427
  188   3HD1  ILE  24          HD13      ILE  24  -8.680   2.471   1.248
  189    H    LEU  25           H        LEU  25  -3.521   2.529   4.357
  190    HA   LEU  25           HA       LEU  25  -3.686   0.177   6.191
  191   1HB   LEU  25          HB2       LEU  25  -1.372   1.797   5.346
  192   2HB   LEU  25          HB3       LEU  25  -1.457   1.379   7.060
  193    HG   LEU  25           HG       LEU  25  -1.575  -0.995   6.519
  194   1HD1  LEU  25          HD11      LEU  25  -2.354  -1.434   4.438
  195   2HD1  LEU  25          HD12      LEU  25  -1.399  -0.141   3.648
  196   3HD1  LEU  25          HD13      LEU  25  -0.650  -1.672   4.160
  197   1HD2  LEU  25          HD21      LEU  25   0.934   0.192   5.276
  198   2HD2  LEU  25          HD22      LEU  25   0.644  -0.019   7.020
  199   3HD2  LEU  25          HD23      LEU  25   0.727  -1.418   5.930
  200    H    HIS  26           H        HIS  26  -5.191   0.873   7.641
  201    HA   HIS  26           HA       HIS  26  -6.493   2.199   8.944
  202   1HB   HIS  26          HB2       HIS  26  -4.097   4.039   9.290
  203   2HB   HIS  26          HB3       HIS  26  -5.455   3.806  10.391
  204    HD1  HIS  26           HD1      HIS  26  -5.251   1.690  12.040
  205    HD2  HIS  26           HD2      HIS  26  -2.136   2.307   9.275
  206    HE1  HIS  26           HE1      HIS  26  -3.275   0.285  12.846
  207    H    TYR  27           H        TYR  27  -6.867   2.681   6.272
  208    HA   TYR  27           HA       TYR  27  -7.934   4.127   4.908
  209   1HB   TYR  27          HB2       TYR  27  -7.945   6.258   7.025
  210   2HB   TYR  27          HB3       TYR  27  -8.989   6.078   5.635
  211    HD1  TYR  27           HD1      TYR  27  -9.043   5.768   9.060
  212    HD2  TYR  27           HD2      TYR  27 -10.054   3.472   5.547
  213    HE1  TYR  27           HE1      TYR  27 -10.795   4.560  10.337
  214    HE2  TYR  27           HE2      TYR  27 -11.825   2.319   6.801
  215    HH   TYR  27           HH       TYR  27 -12.903   2.098   8.841
  216    H    LYS  28           H        LYS  28  -4.742   4.823   6.025
  217    HA   LYS  28           HA       LYS  28  -4.430   7.216   4.311
  218   1HB   LYS  28          HB2       LYS  28  -2.408   5.546   5.858
  219   2HB   LYS  28          HB3       LYS  28  -2.058   6.986   4.918
  220   1HG   LYS  28          HG2       LYS  28  -2.768   6.806   7.659
  221   2HG   LYS  28          HG3       LYS  28  -2.309   8.210   6.679
  222   1HD   LYS  28          HD2       LYS  28  -4.761   8.511   6.090
  223   2HD   LYS  28          HD3       LYS  28  -5.134   7.170   7.172
  224   1HE   LYS  28          HE2       LYS  28  -5.574   9.161   8.356
  225   2HE   LYS  28          HE3       LYS  28  -4.131   8.431   9.079
  226   1HZ   LYS  28          HZ1       LYS  28  -3.928  10.823   8.748
  227   2HZ   LYS  28          HZ2       LYS  28  -2.831  10.057   7.777
  228   3HZ   LYS  28          HZ3       LYS  28  -4.221  10.662   7.150
  229    H    VAL  29           H        VAL  29  -3.638   7.164   2.254
  230    HA   VAL  29           HA       VAL  29  -3.443   4.471   1.034
  231    HB   VAL  29           HB       VAL  29  -3.914   7.139  -0.277
  232   1HG1  VAL  29          HG11      VAL  29  -2.615   5.704  -1.779
  233   2HG1  VAL  29          HG12      VAL  29  -3.688   4.335  -1.448
  234   3HG1  VAL  29          HG13      VAL  29  -4.301   5.768  -2.296
  235   1HG2  VAL  29          HG21      VAL  29  -5.631   4.624  -0.174
  236   2HG2  VAL  29          HG22      VAL  29  -5.840   5.930   1.001
  237   3HG2  VAL  29          HG23      VAL  29  -6.099   6.246  -0.732
  238    H    TYR  30           H        TYR  30  -1.701   3.705   0.294
  239    HA   TYR  30           HA       TYR  30   0.923   5.144   0.458
  240   1HB   TYR  30          HB2       TYR  30  -0.280   2.523   1.397
  241   2HB   TYR  30          HB3       TYR  30   1.431   2.629   1.199
  242    HD1  TYR  30           HD1      TYR  30   0.686   1.685   3.610
  243    HD2  TYR  30           HD2      TYR  30   0.535   5.844   2.494
  244    HE1  TYR  30           HE1      TYR  30   0.868   2.369   6.010
  245    HE2  TYR  30           HE2      TYR  30   0.484   6.470   4.861
  246    HH   TYR  30           HH       TYR  30   0.803   5.774   7.012
  247    H    ASP  31           H        ASP  31   1.758   5.209  -1.579
  248    HA   ASP  31           HA       ASP  31   1.293   3.040  -3.560
  249   1HB   ASP  31          HB2       ASP  31   1.343   5.412  -4.440
  250   2HB   ASP  31          HB3       ASP  31   2.980   5.553  -3.735
  251    H    LEU  32           H        LEU  32   2.962   1.522  -3.813
  252    HA   LEU  32           HA       LEU  32   5.541   2.243  -2.446
  253   1HB   LEU  32          HB2       LEU  32   4.937  -0.639  -2.876
  254   2HB   LEU  32          HB3       LEU  32   5.936   0.189  -1.661
  255    HG   LEU  32           HG       LEU  32   2.942   0.161  -1.584
  256   1HD1  LEU  32          HD11      LEU  32   4.913  -1.402   0.162
  257   2HD1  LEU  32          HD12      LEU  32   3.160  -1.603   0.072
  258   3HD1  LEU  32          HD13      LEU  32   4.152  -2.104  -1.290
  259   1HD2  LEU  32          HD21      LEU  32   3.948   2.052  -0.317
  260   2HD2  LEU  32          HD22      LEU  32   3.230   0.857   0.759
  261   3HD2  LEU  32          HD23      LEU  32   4.994   0.903   0.542
  262    H    THR  33           H        THR  33   4.139   0.492  -5.176
  263    HA   THR  33           HA       THR  33   4.989  -0.254  -7.135
  264    HB   THR  33           HB       THR  33   5.380   2.759  -7.202
  265    HG1  THR  33           HG1      THR  33   3.314   2.712  -6.870
  266   1HG2  THR  33          HG21      THR  33   6.200   1.719  -9.298
  267   2HG2  THR  33          HG22      THR  33   4.712   0.751  -9.413
  268   3HG2  THR  33          HG23      THR  33   4.646   2.520  -9.570
  269    H    LYS  34           H        LYS  34   7.639   1.998  -6.119
  270    HA   LYS  34           HA       LYS  34   9.586   0.449  -7.729
  271   1HB   LYS  34          HB2       LYS  34   9.926   2.563  -5.558
  272   2HB   LYS  34          HB3       LYS  34  11.245   1.759  -6.424
  273   1HG   LYS  34          HG2       LYS  34  10.306   2.595  -8.588
  274   2HG   LYS  34          HG3       LYS  34   9.082   3.509  -7.679
  275   1HD   LYS  34          HD2       LYS  34  10.877   4.730  -6.481
  276   2HD   LYS  34          HD3       LYS  34  12.107   3.783  -7.344
  277   1HE   LYS  34          HE2       LYS  34  11.274   4.699  -9.521
  278   2HE   LYS  34          HE3       LYS  34  10.083   5.677  -8.645
  279   1HZ   LYS  34          HZ1       LYS  34  13.012   5.898  -8.383
  280   2HZ   LYS  34          HZ2       LYS  34  12.037   6.936  -9.204
  281   3HZ   LYS  34          HZ3       LYS  34  11.910   6.811  -7.569
  282    H    PHE  35           H        PHE  35   8.254   0.605  -4.461
  283    HA   PHE  35           HA       PHE  35  10.402  -0.745  -3.153
  284   1HB   PHE  35          HB2       PHE  35   8.368   0.678  -2.174
  285   2HB   PHE  35          HB3       PHE  35   7.586  -0.919  -2.116
  286    HD1  PHE  35           HD1      PHE  35   8.340  -2.590  -0.469
  287    HD2  PHE  35           HD2      PHE  35  10.608   1.015  -1.080
  288    HE1  PHE  35           HE1      PHE  35   9.954  -3.272   1.285
  289    HE2  PHE  35           HE2      PHE  35  12.149   0.355   0.705
  290    HZ   PHE  35           HZ       PHE  35  11.831  -1.783   1.901
  291    H    LEU  36           H        LEU  36   7.635  -1.781  -4.909
  292    HA   LEU  36           HA       LEU  36   7.192  -4.467  -4.381
  293   1HB   LEU  36          HB2       LEU  36   7.630  -3.008  -7.033
  294   2HB   LEU  36          HB3       LEU  36   6.786  -4.507  -6.854
  295    HG   LEU  36           HG       LEU  36   5.843  -1.848  -5.892
  296   1HD1  LEU  36          HD11      LEU  36   4.667  -3.998  -7.724
  297   2HD1  LEU  36          HD12      LEU  36   4.023  -2.368  -7.482
  298   3HD1  LEU  36          HD13      LEU  36   5.569  -2.600  -8.305
  299   1HD2  LEU  36          HD21      LEU  36   3.849  -3.016  -5.027
  300   2HD2  LEU  36          HD22      LEU  36   4.718  -4.559  -5.155
  301   3HD2  LEU  36          HD23      LEU  36   5.303  -3.268  -4.078
  302    H    GLU  37           H        GLU  37   9.937  -2.988  -6.147
  303    HA   GLU  37           HA       GLU  37  11.070  -5.506  -6.980
  304   1HB   GLU  37          HB2       GLU  37  11.291  -2.970  -7.840
  305   2HB   GLU  37          HB3       GLU  37  12.682  -2.951  -6.754
  306   1HG   GLU  37          HG2       GLU  37  12.182  -4.983  -8.987
  307   2HG   GLU  37          HG3       GLU  37  13.151  -3.514  -9.160
  308    H    GLU  38           H        GLU  38  11.755  -3.123  -4.429
  309    HA   GLU  38           HA       GLU  38  13.959  -4.386  -3.206
  310   1HB   GLU  38          HB2       GLU  38  11.853  -2.595  -1.898
  311   2HB   GLU  38          HB3       GLU  38  13.489  -2.901  -1.323
  312   1HG   GLU  38          HG2       GLU  38  14.427  -1.792  -3.319
  313   2HG   GLU  38          HG3       GLU  38  12.803  -1.485  -3.951
  314    H    HIS  39           HN       HIS  39  10.491  -4.734  -2.676
  315    HA   HIS  39           HA       HIS  39  10.388  -5.556  -0.118
  316   1HB   HIS  39          HB2       HIS  39   8.485  -4.904  -1.615
  317   2HB   HIS  39          HB3       HIS  39   8.470  -6.538  -2.272
  318    HD1  HIS  39           HD1      HIS  39   6.417  -7.790  -1.060
  319    HD2  HIS  39           HD2      HIS  39   8.539  -5.031   1.333
  320    HE1  HIS  39           HE1      HIS  39   5.336  -7.806   1.231
  321    HA   PRO  40           HA       PRO  40  12.243  -9.742  -0.385
  322   1HB   PRO  40          HB2       PRO  40  11.553  -9.467   2.555
  323   2HB   PRO  40          HB3       PRO  40  12.975 -10.258   1.821
  324   1HG   PRO  40          HG2       PRO  40  13.315  -7.763   2.753
  325   2HG   PRO  40          HG3       PRO  40  13.837  -8.091   1.084
  326   1HD   PRO  40          HD2       PRO  40  11.154  -6.930   1.935
  327   2HD   PRO  40          HD3       PRO  40  12.354  -6.236   0.820
  328    H    GLY  41           H        GLY  41   9.207  -8.720   1.201
  329   1HA   GLY  41          HA1       GLY  41   7.893 -11.241   1.316
  330   2HA   GLY  41          HA2       GLY  41   7.128  -9.664   1.227
  331    H    GLY  42           H        GLY  42   8.722  -9.255  -1.468
  332   1HA   GLY  42          HA1       GLY  42   8.506  -9.826  -3.673
  333   2HA   GLY  42          HA2       GLY  42   7.281 -11.051  -3.297
  334    H    GLU  43           H        GLU  43   7.057  -9.268  -5.432
  335    HA   GLU  43           HA       GLU  43   5.328  -7.037  -4.742
  336   1HB   GLU  43          HB2       GLU  43   6.813  -6.738  -6.511
  337   2HB   GLU  43          HB3       GLU  43   6.325  -8.162  -7.383
  338   1HG   GLU  43          HG2       GLU  43   4.324  -5.972  -6.886
  339   2HG   GLU  43          HG3       GLU  43   5.466  -5.961  -8.266
  340    H    GLU  44           H        GLU  44   4.788 -10.072  -6.611
  341    HA   GLU  44           HA       GLU  44   2.223 -10.238  -7.032
  342   1HB   GLU  44          HB2       GLU  44   3.869 -12.380  -5.601
  343   2HB   GLU  44          HB3       GLU  44   2.271 -12.686  -6.283
  344   1HG   GLU  44          HG2       GLU  44   4.651 -11.702  -7.928
  345   2HG   GLU  44          HG3       GLU  44   4.140 -13.389  -7.778
  346    H    VAL  45           H        VAL  45   3.448 -10.982  -3.791
  347    HA   VAL  45           HA       VAL  45   0.901 -11.476  -2.695
  348    HB   VAL  45           HB       VAL  45   1.995 -12.058  -0.770
  349   1HG1  VAL  45          HG11      VAL  45   3.400 -13.012  -2.670
  350   2HG1  VAL  45          HG12      VAL  45   4.552 -11.669  -2.369
  351   3HG1  VAL  45          HG13      VAL  45   4.228 -12.867  -1.111
  352   1HG2  VAL  45          HG21      VAL  45   2.555  -9.847   0.112
  353   2HG2  VAL  45          HG22      VAL  45   3.938 -10.924   0.273
  354   3HG2  VAL  45          HG23      VAL  45   3.926  -9.713  -1.018
  355    H    LEU  46           H        LEU  46   2.740  -8.492  -3.092
  356    HA   LEU  46           HA       LEU  46   1.058  -6.911  -1.270
  357   1HB   LEU  46          HB2       LEU  46   2.997  -6.091  -3.473
  358   2HB   LEU  46          HB3       LEU  46   2.092  -4.976  -2.461
  359    HG   LEU  46           HG       LEU  46   4.044  -7.029  -1.329
  360   1HD1  LEU  46          HD11      LEU  46   5.305  -5.545  -2.752
  361   2HD1  LEU  46          HD12      LEU  46   4.394  -4.136  -2.173
  362   3HD1  LEU  46          HD13      LEU  46   5.530  -4.951  -1.095
  363   1HD2  LEU  46          HD21      LEU  46   4.007  -5.461   0.626
  364   2HD2  LEU  46          HD22      LEU  46   2.711  -4.544  -0.152
  365   3HD2  LEU  46          HD23      LEU  46   2.442  -6.229   0.351
  366    H    ARG  47           H        ARG  47   1.331  -7.625  -4.780
  367    HA   ARG  47           HA       ARG  47  -0.608  -5.779  -5.625
  368   1HB   ARG  47          HB2       ARG  47   1.050  -7.013  -7.052
  369   2HB   ARG  47          HB3       ARG  47  -0.029  -8.419  -6.989
  370   1HG   ARG  47          HG2       ARG  47  -1.877  -6.939  -7.926
  371   2HG   ARG  47          HG3       ARG  47  -0.713  -5.610  -7.999
  372   1HD   ARG  47          HD2       ARG  47  -1.018  -6.644 -10.181
  373   2HD   ARG  47          HD3       ARG  47   0.642  -6.816  -9.639
  374    HE   ARG  47           HE       ARG  47  -1.503  -8.913  -9.687
  375   1HH1  ARG  47          HH22      ARG  47   2.043  -8.254  -9.332
  376   2HH1  ARG  47          HH21      ARG  47   2.448  -9.908  -9.653
  377   1HH2  ARG  47          HH11      ARG  47  -0.880 -11.111  -9.794
  378   2HH2  ARG  47          HH12      ARG  47   0.790 -11.539  -9.597
  379    H    GLU  48           H        GLU  48  -0.894  -9.205  -4.850
  380    HA   GLU  48           HA       GLU  48  -3.539  -9.886  -4.976
  381   1HB   GLU  48          HB2       GLU  48  -1.659 -11.306  -4.314
  382   2HB   GLU  48          HB3       GLU  48  -1.446 -10.353  -2.842
  383   1HG   GLU  48          HG2       GLU  48  -3.538 -11.232  -1.927
  384   2HG   GLU  48          HG3       GLU  48  -3.914 -12.031  -3.468
  385    H    GLN  49           H        GLN  49  -2.140  -7.611  -2.621
  386    HA   GLN  49           HA       GLN  49  -4.791  -7.323  -1.222
  387   1HB   GLN  49          HB2       GLN  49  -1.932  -6.650  -0.402
  388   2HB   GLN  49          HB3       GLN  49  -3.366  -6.362   0.574
  389   1HG   GLN  49          HG2       GLN  49  -2.357  -9.114  -0.371
  390   2HG   GLN  49          HG3       GLN  49  -2.116  -8.415   1.222
  391   1HE2  GLN  49          HE21      GLN  49  -4.787  -9.474  -1.048
  392   2HE2  GLN  49          HE22      GLN  49  -5.837  -9.934   0.277
  393    H    ALA  50           H        ALA  50  -2.413  -5.716  -3.103
  394    HA   ALA  50           HA       ALA  50  -2.842  -3.035  -2.462
  395   1HB   ALA  50          HB1       ALA  50  -0.980  -3.842  -3.823
  396   2HB   ALA  50          HB2       ALA  50  -2.113  -4.322  -5.112
  397   3HB   ALA  50          HB3       ALA  50  -1.913  -2.611  -4.736
  398    H    GLY  51           H        GLY  51  -3.886  -1.368  -3.635
  399   1HA   GLY  51          HA1       GLY  51  -5.936  -0.414  -4.025
  400   2HA   GLY  51          HA2       GLY  51  -6.093  -1.571  -5.360
  401    H    GLY  52           H        GLY  52  -5.660  -1.768  -1.797
  402   1HA   GLY  52          HA1       GLY  52  -8.346  -1.915  -1.078
  403   2HA   GLY  52          HA2       GLY  52  -7.635  -3.567  -1.115
  404    H    ASP  53           H        ASP  53  -8.334  -2.530   1.197
  405    HA   ASP  53           HA       ASP  53  -6.110  -1.305   2.588
  406   1HB   ASP  53          HB2       ASP  53  -8.482  -0.904   3.314
  407   2HB   ASP  53          HB3       ASP  53  -8.547  -2.589   3.868
  408    H    ALA  54           H        ALA  54  -4.476  -2.252   3.672
  409    HA   ALA  54           HA       ALA  54  -4.522  -5.243   4.037
  410   1HB   ALA  54          HB1       ALA  54  -3.144  -4.540   2.075
  411   2HB   ALA  54          HB2       ALA  54  -2.145  -3.561   3.167
  412   3HB   ALA  54          HB3       ALA  54  -2.205  -5.328   3.356
  413    H    THR  55           H        THR  55  -5.174  -2.982   5.947
  414    HA   THR  55           HA       THR  55  -2.955  -2.340   7.505
  415    HB   THR  55           HB       THR  55  -5.808  -2.620   8.582
  416    HG1  THR  55           HG1      THR  55  -5.869  -1.292   6.796
  417   1HG2  THR  55          HG21      THR  55  -5.049  -0.739  10.013
  418   2HG2  THR  55          HG22      THR  55  -4.016  -2.160  10.287
  419   3HG2  THR  55          HG23      THR  55  -3.440  -0.821   9.256
  420    H    GLU  56           H        GLU  56  -5.300  -5.023   8.151
  421    HA   GLU  56           HA       GLU  56  -3.977  -5.903  10.516
  422   1HB   GLU  56          HB2       GLU  56  -5.899  -7.341   8.597
  423   2HB   GLU  56          HB3       GLU  56  -5.461  -7.868  10.224
  424   1HG   GLU  56          HG2       GLU  56  -6.419  -5.755  11.153
  425   2HG   GLU  56          HG3       GLU  56  -6.925  -5.267   9.525
  426    H    ASN  57           H        ASN  57  -4.007  -7.078   7.122
  427    HA   ASN  57           HA       ASN  57  -2.292  -9.250   7.405
  428   1HB   ASN  57          HB2       ASN  57  -3.602  -8.527   5.372
  429   2HB   ASN  57          HB3       ASN  57  -2.322  -7.364   5.007
  430   1HD2  ASN  57          HD21      ASN  57  -3.127  -9.550   3.266
  431   2HD2  ASN  57          HD22      ASN  57  -1.759 -10.647   3.176
  432    H    PHE  58           H        PHE  58  -1.415  -5.835   6.804
  433    HA   PHE  58           HA       PHE  58   1.385  -6.128   6.638
  434   1HB   PHE  58          HB2       PHE  58   0.224  -4.088   6.047
  435   2HB   PHE  58          HB3       PHE  58  -0.376  -3.885   7.678
  436    HD1  PHE  58           HD1      PHE  58   2.853  -4.157   5.793
  437    HD2  PHE  58           HD2      PHE  58   0.853  -2.719   9.308
  438    HE1  PHE  58           HE1      PHE  58   4.857  -2.792   6.369
  439    HE2  PHE  58           HE2      PHE  58   2.877  -1.478   9.949
  440    HZ   PHE  58           HZ       PHE  58   4.813  -1.364   8.427
  441    H    GLU  59           H        GLU  59  -0.574  -5.344   9.592
  442    HA   GLU  59           HA       GLU  59   1.691  -5.526  11.369
  443   1HB   GLU  59          HB2       GLU  59  -1.338  -5.599  11.739
  444   2HB   GLU  59          HB3       GLU  59  -0.227  -5.686  13.096
  445   1HG   GLU  59          HG2       GLU  59  -0.373  -3.423  11.070
  446   2HG   GLU  59          HG3       GLU  59  -1.001  -3.433  12.716
  447    H    ASP  60           H        ASP  60  -0.526  -7.832  10.168
  448    HA   ASP  60           HA       ASP  60  -0.195  -9.990  11.993
  449   1HB   ASP  60          HB2       ASP  60  -1.990  -9.775  10.178
  450   2HB   ASP  60          HB3       ASP  60  -0.732 -10.169   9.000
  451    H    HIS  61           H        HIS  61   1.451  -9.111   8.962
  452    HA   HIS  61           HA       HIS  61   3.697 -10.968   9.263
  453   1HB   HIS  61          HB2       HIS  61   3.291  -8.426   7.639
  454   2HB   HIS  61          HB3       HIS  61   4.792  -9.353   7.653
  455    HD1  HIS  61           HD1      HIS  61   1.059  -9.891   6.674
  456    HD2  HIS  61           HD2      HIS  61   4.887 -11.629   6.380
  457    HE1  HIS  61           HE1      HIS  61   0.844 -11.914   5.125
  458    H    GLY  62           H        GLY  62   3.038  -7.609  10.239
  459   1HA   GLY  62          HA1       GLY  62   3.780  -6.695  12.310
  460   2HA   GLY  62          HA2       GLY  62   5.149  -7.812  12.344
  461    H    HIS  63           HN       HIS  63   7.038  -6.980  11.631
  462    HA   HIS  63           HA       HIS  63   8.533  -5.384  11.011
  463   1HB   HIS  63          HB2       HIS  63   8.904  -5.420   8.738
  464   2HB   HIS  63          HB3       HIS  63   8.177  -6.967   9.131
  465    HD1  HIS  63           HD1      HIS  63   5.017  -6.106   8.594
  466    HD2  HIS  63           HD2      HIS  63   8.460  -5.382   6.358
  467    HE1  HIS  63           HE1      HIS  63   4.325  -6.374   6.157
  468    H    SER  64           H        SER  64   6.650  -3.976  12.365
  469    HA   SER  64           HA       SER  64   5.064  -2.412  10.630
  470   1HB   SER  64          HB2       SER  64   4.102  -1.645  12.839
  471   2HB   SER  64          HB3       SER  64   4.158  -3.378  12.509
  472    HG   SER  64           HG       SER  64   4.943  -3.009  14.588
  473    H    THR  65           H        THR  65   6.699  -1.039  13.422
  474    HA   THR  65           HA       THR  65   6.320   1.583  12.855
  475    HB   THR  65           HB       THR  65   8.671   1.838  14.153
  476    HG1  THR  65           HG1      THR  65   9.539  -0.236  13.740
  477   1HG2  THR  65          HG21      THR  65   6.463   2.004  15.257
  478   2HG2  THR  65          HG22      THR  65   6.364   0.228  15.341
  479   3HG2  THR  65          HG23      THR  65   7.616   1.094  16.253
  480    H    ASP  66           H        ASP  66   9.226  -0.103  11.856
  481    HA   ASP  66           HA       ASP  66  10.472   2.023  10.577
  482   1HB   ASP  66          HB2       ASP  66  10.764  -0.960  10.004
  483   2HB   ASP  66          HB3       ASP  66  11.973   0.302   9.720
  484    H    ALA  67           H        ALA  67   8.353  -0.510   9.142
  485    HA   ALA  67           HA       ALA  67   8.732   0.368   6.399
  486   1HB   ALA  67          HB1       ALA  67   8.209  -1.902   6.742
  487   2HB   ALA  67          HB2       ALA  67   6.798  -1.503   7.726
  488   3HB   ALA  67          HB3       ALA  67   6.779  -1.147   5.996
  489    H    ARG  68           H        ARG  68   6.506   0.835   9.103
  490    HA   ARG  68           HA       ARG  68   4.437   2.433   8.043
  491   1HB   ARG  68          HB2       ARG  68   5.609   1.837  10.700
  492   2HB   ARG  68          HB3       ARG  68   4.740   3.330  10.667
  493   1HG   ARG  68          HG2       ARG  68   2.755   2.122   9.761
  494   2HG   ARG  68          HG3       ARG  68   3.724   0.640   9.681
  495   1HD   ARG  68          HD2       ARG  68   4.083   0.754  12.157
  496   2HD   ARG  68          HD3       ARG  68   3.013   2.148  12.253
  497    HE   ARG  68           HE       ARG  68   2.279  -0.693  11.963
  498   1HH1  ARG  68          HH22      ARG  68   1.048   2.602  11.344
  499   2HH1  ARG  68          HH21      ARG  68  -0.600   1.977  11.210
  500   1HH2  ARG  68          HH11      ARG  68   0.295  -1.358  11.621
  501   2HH2  ARG  68          HH12      ARG  68  -1.050  -0.223  11.282
  502    H    GLU  69           H        GLU  69   7.431   3.509   9.723
  503    HA   GLU  69           HA       GLU  69   7.309   6.226   9.183
  504   1HB   GLU  69          HB2       GLU  69   9.076   4.721  10.481
  505   2HB   GLU  69          HB3       GLU  69   9.946   4.747   8.949
  506   1HG   GLU  69          HG2       GLU  69  10.757   6.518  10.405
  507   2HG   GLU  69          HG3       GLU  69   9.891   7.273   9.055
  508    H    LEU  70           H        LEU  70   8.829   3.694   7.143
  509    HA   LEU  70           HA       LEU  70   9.399   5.242   4.932
  510   1HB   LEU  70          HB2       LEU  70   9.127   2.387   5.439
  511   2HB   LEU  70          HB3       LEU  70   8.209   2.721   4.021
  512    HG   LEU  70           HG       LEU  70  10.239   2.208   3.127
  513   1HD1  LEU  70          HD11      LEU  70   9.569   4.710   2.568
  514   2HD1  LEU  70          HD12      LEU  70  11.030   5.107   3.479
  515   3HD1  LEU  70          HD13      LEU  70  11.146   4.066   2.057
  516   1HD2  LEU  70          HD21      LEU  70  12.426   2.842   4.086
  517   2HD2  LEU  70          HD22      LEU  70  11.586   3.688   5.409
  518   3HD2  LEU  70          HD23      LEU  70  11.412   1.922   5.220
  519    H    SER  71           H        SER  71   6.194   3.832   5.795
  520    HA   SER  71           HA       SER  71   5.124   4.765   3.269
  521   1HB   SER  71          HB2       SER  71   3.110   3.684   3.898
  522   2HB   SER  71          HB3       SER  71   4.524   2.627   4.006
  523    HG   SER  71           HG       SER  71   3.225   2.368   5.850
  524    H    LYS  72           H        LYS  72   5.442   6.206   6.367
  525    HA   LYS  72           HA       LYS  72   3.409   8.276   5.970
  526   1HB   LYS  72          HB2       LYS  72   6.204   8.675   7.126
  527   2HB   LYS  72          HB3       LYS  72   4.785   9.701   7.335
  528   1HG   LYS  72          HG2       LYS  72   3.679   7.840   8.584
  529   2HG   LYS  72          HG3       LYS  72   5.160   6.887   8.399
  530   1HD   LYS  72          HD2       LYS  72   6.452   8.782   9.423
  531   2HD   LYS  72          HD3       LYS  72   4.924   9.563   9.859
  532   1HE   LYS  72          HE2       LYS  72   4.361   7.714  11.381
  533   2HE   LYS  72          HE3       LYS  72   5.671   6.729  10.716
  534   1HZ   LYS  72          HZ1       LYS  72   5.935   8.814  12.695
  535   2HZ   LYS  72          HZ2       LYS  72   6.874   7.459  12.341
  536   3HZ   LYS  72          HZ3       LYS  72   7.088   8.744  11.491
  537    H    THR  73           H        THR  73   6.787   7.838   5.115
  538    HA   THR  73           HA       THR  73   7.074  10.094   3.385
  539    HB   THR  73           HB       THR  73   8.660   7.686   4.082
  540    HG1  THR  73           HG1      THR  73   9.308  10.359   3.508
  541   1HG2  THR  73          HG21      THR  73   9.190   9.032   1.409
  542   2HG2  THR  73          HG22      THR  73  10.280   7.934   2.292
  543   3HG2  THR  73          HG23      THR  73   8.746   7.324   1.671
  544    H    PHE  74           H        PHE  74   5.715   6.870   2.772
  545    HA   PHE  74           HA       PHE  74   5.293   7.532  -0.073
  546   1HB   PHE  74          HB2       PHE  74   4.062   5.209   1.395
  547   2HB   PHE  74          HB3       PHE  74   4.335   5.435  -0.311
  548    HD1  PHE  74           HD1      PHE  74   7.304   6.279  -0.253
  549    HD2  PHE  74           HD2      PHE  74   5.056   3.068   1.531
  550    HE1  PHE  74           HE1      PHE  74   9.345   4.866  -0.197
  551    HE2  PHE  74           HE2      PHE  74   7.076   1.639   1.483
  552    HZ   PHE  74           HZ       PHE  74   9.242   2.583   0.860
  553    H    ILE  75           H        ILE  75   3.668   8.841   2.529
  554    HA   ILE  75           HA       ILE  75   0.990   8.150   1.848
  555    HB   ILE  75           HB       ILE  75   2.215  10.541   3.255
  556   1HG1  ILE  75          HG12      ILE  75   0.058   8.553   4.062
  557   2HG1  ILE  75          HG13      ILE  75   1.774   8.248   4.223
  558   1HG2  ILE  75          HG21      ILE  75  -0.743  10.297   2.519
  559   2HG2  ILE  75          HG22      ILE  75  -0.081  11.435   3.705
  560   3HG2  ILE  75          HG23      ILE  75   0.358  11.603   2.019
  561   1HD1  ILE  75          HD11      ILE  75   0.205  10.429   5.660
  562   2HD1  ILE  75          HD12      ILE  75   0.966   8.998   6.367
  563   3HD1  ILE  75          HD13      ILE  75   1.978  10.290   5.690
  564    H    ILE  76           H        ILE  76  -0.211   8.556   0.128
  565    HA   ILE  76           HA       ILE  76   0.463  10.894  -1.655
  566    HB   ILE  76           HB       ILE  76  -0.459   9.404  -3.479
  567   1HG1  ILE  76          HG12      ILE  76   0.221   7.078  -1.659
  568   2HG1  ILE  76          HG13      ILE  76  -1.417   7.755  -1.624
  569   1HG2  ILE  76          HG21      ILE  76   1.675   8.212  -3.797
  570   2HG2  ILE  76          HG22      ILE  76   1.928   9.876  -3.251
  571   3HG2  ILE  76          HG23      ILE  76   2.117   8.533  -2.112
  572   1HD1  ILE  76          HD11      ILE  76  -0.247   7.032  -4.295
  573   2HD1  ILE  76          HD12      ILE  76  -0.882   5.765  -3.221
  574   3HD1  ILE  76          HD13      ILE  76  -1.937   7.081  -3.747
  575    H    GLY  77           H        GLY  77  -1.937   9.650   0.444
  576   1HA   GLY  77          HA1       GLY  77  -4.172  11.320  -0.320
  577   2HA   GLY  77          HA2       GLY  77  -4.183   9.812  -1.217
  578    H    GLU  78           H        GLU  78  -6.241   9.908   0.238
  579    HA   GLU  78           HA       GLU  78  -5.759   7.848   2.219
  580   1HB   GLU  78          HB2       GLU  78  -7.625  10.223   2.724
  581   2HB   GLU  78          HB3       GLU  78  -7.354   8.851   3.815
  582   1HG   GLU  78          HG2       GLU  78  -4.881   9.503   3.931
  583   2HG   GLU  78          HG3       GLU  78  -5.321  11.043   3.205
  584    H    LEU  79           H        LEU  79  -7.713   6.684   2.566
  585    HA   LEU  79           HA       LEU  79  -9.512   6.333   0.323
  586   1HB   LEU  79          HB2       LEU  79  -9.041   4.566   2.045
  587   2HB   LEU  79          HB3       LEU  79  -9.812   5.594   3.263
  588    HG   LEU  79           HG       LEU  79 -11.911   5.566   1.906
  589   1HD1  LEU  79          HD11      LEU  79 -11.148   4.990  -0.334
  590   2HD1  LEU  79          HD12      LEU  79 -10.376   3.506   0.253
  591   3HD1  LEU  79          HD13      LEU  79 -12.131   3.638   0.231
  592   1HD2  LEU  79          HD21      LEU  79 -11.005   2.807   2.726
  593   2HD2  LEU  79          HD22      LEU  79 -11.619   4.088   3.817
  594   3HD2  LEU  79          HD23      LEU  79 -12.682   3.436   2.570
  595    H    HIS  80           H        HIS  80 -11.293   7.410  -0.189
  596    HA   HIS  80           HA       HIS  80 -11.728   9.824   0.896
  597   1HB   HIS  80          HB2       HIS  80 -12.368   8.801  -1.347
  598   2HB   HIS  80          HB3       HIS  80 -13.832   8.208  -0.577
  599    HD1  HIS  80           HD1      HIS  80 -15.721   9.991  -1.293
  600    HD2  HIS  80           HD2      HIS  80 -11.872  11.543  -0.617
  601    HE1  HIS  80           HE1      HIS  80 -15.923  12.515  -1.578
  602    HA   PRO  81           HA       PRO  81 -14.598   9.118   4.189
  603   1HB   PRO  81          HB2       PRO  81 -16.184  11.564   3.221
  604   2HB   PRO  81          HB3       PRO  81 -15.732  11.175   4.884
  605   1HG   PRO  81          HG2       PRO  81 -14.272  13.009   3.444
  606   2HG   PRO  81          HG3       PRO  81 -13.360  11.721   4.302
  607   1HD   PRO  81          HD2       PRO  81 -14.336  11.722   1.428
  608   2HD   PRO  81          HD3       PRO  81 -12.661  11.475   2.006
  609    H    ASP  82           H        ASP  82 -16.186   9.970   1.146
  610    HA   ASP  82           HA       ASP  82 -18.687   8.964   1.790
  611   1HB   ASP  82          HB2       ASP  82 -17.993  10.273  -0.289
  612   2HB   ASP  82          HB3       ASP  82 -17.311   8.758  -0.938
  613    H    ASP  83           H        ASP  83 -15.714   7.386   1.389
  614    HA   ASP  83           HA       ASP  83 -16.486   4.678   0.701
  615   1HB   ASP  83          HB2       ASP  83 -14.101   6.535   1.013
  616   2HB   ASP  83          HB3       ASP  83 -13.778   4.862   1.161
  617    H    ARG  84           H        ARG  84 -16.590   6.481   3.565
  618    HA   ARG  84           HA       ARG  84 -15.776   4.179   5.282
  619   1HB   ARG  84          HB2       ARG  84 -15.089   7.133   5.575
  620   2HB   ARG  84          HB3       ARG  84 -14.984   5.954   6.893
  621   1HG   ARG  84          HG2       ARG  84 -13.383   4.612   5.670
  622   2HG   ARG  84          HG3       ARG  84 -13.447   5.691   4.270
  623   1HD   ARG  84          HD2       ARG  84 -12.747   6.731   7.040
  624   2HD   ARG  84          HD3       ARG  84 -11.523   5.948   6.025
  625    HE   ARG  84           HE       ARG  84 -12.472   7.715   4.263
  626   1HH1  ARG  84          HH22      ARG  84 -11.468   8.230   7.620
  627   2HH1  ARG  84          HH21      ARG  84 -10.605   9.707   7.289
  628   1HH2  ARG  84          HH11      ARG  84 -10.999   9.437   3.828
  629   2HH2  ARG  84          HH12      ARG  84 -10.532  10.555   5.074
  630    HHA  HEM 201           HGM      HEM 201  10.204  -8.587   4.675
  631    HHB  HEM 201           HDM      HEM 201   9.200  -2.295   3.858
  632    HHC  HEM 201           HAM      HEM 201   2.919  -3.342   3.106
  633    HHD  HEM 201           HBM      HEM 201   3.901  -9.702   3.581
  634   1HMA  HEM 201          HM81      HEM 201  11.986  -3.031   4.056
  635   2HMA  HEM 201          HM82      HEM 201  10.846  -2.635   5.370
  636   3HMA  HEM 201          HM83      HEM 201  12.144  -3.800   5.647
  637   1HAA  HEM 201          HP71      HEM 201  12.199  -7.529   4.611
  638   2HAA  HEM 201          HP72      HEM 201  12.887  -5.853   4.851
  639   1HBA  HEM 201          HP73      HEM 201  11.417  -7.712   6.767
  640   2HBA  HEM 201          HP74      HEM 201  11.611  -5.911   7.040
  641   1HMB  HEM 201          HM11      HEM 201   6.618   0.430   3.290
  642   2HMB  HEM 201          HM12      HEM 201   8.010  -0.276   4.103
  643   3HMB  HEM 201          HM13      HEM 201   7.914  -0.338   2.339
  644    HAB  HEM 201          HT2A      HEM 201   3.408  -1.243   2.184
  645   1HBB  HEM 201          HV2C      HEM 201   4.643   0.383   4.392
  646   2HBB  HEM 201          HV2T      HEM 201   2.874   0.456   3.714
  647   1HMC  HEM 201          HM31      HEM 201   0.965  -4.306   3.823
  648   2HMC  HEM 201          HM32      HEM 201   0.647  -5.118   2.272
  649   3HMC  HEM 201          HM33      HEM 201   0.194  -5.899   3.801
  650    HAC  HEM 201          HT4A      HEM 201   1.373  -9.117   4.069
  651   1HBC  HEM 201          HV4C      HEM 201   0.899  -7.906   1.295
  652   2HBC  HEM 201          HV4T      HEM 201   0.339  -9.566   1.933
  653   1HMD  HEM 201          HM51      HEM 201   6.184 -12.318   4.577
  654   2HMD  HEM 201          HM52      HEM 201   4.892 -11.638   3.579
  655   3HMD  HEM 201          HM53      HEM 201   6.409 -12.127   2.838
  656   1HAD  HEM 201          HP61      HEM 201   8.697 -12.019   3.894
  657   2HAD  HEM 201          HP62      HEM 201   9.939 -10.754   4.311
  658   1HBD  HEM 201          HP63      HEM 201   9.118 -10.747   6.639
  659   2HBD  HEM 201          HP64      HEM 201   7.895 -12.034   6.185
  Start of MODEL    5
    1   1H    ALA   3          H1        ALA   3  -3.008  20.105   1.697
    2   2H    ALA   3          H2        ALA   3  -3.301  19.959   0.103
    3   3H    ALA   3          H3        ALA   3  -3.655  21.398   0.877
    4    HA   ALA   3           HA       ALA   3  -5.251  20.043   2.243
    5   1HB   ALA   3          HB1       ALA   3  -6.998  20.021   0.492
    6   2HB   ALA   3          HB2       ALA   3  -6.059  21.522   0.414
    7   3HB   ALA   3          HB3       ALA   3  -5.763  20.223  -0.766
    8    H    VAL   4           H        VAL   4  -6.673  18.009   1.910
    9    HA   VAL   4           HA       VAL   4  -5.016  15.679   1.542
   10    HB   VAL   4           HB       VAL   4  -7.056  14.445   2.006
   11   1HG1  VAL   4          HG11      VAL   4  -5.875  15.554   3.888
   12   2HG1  VAL   4          HG12      VAL   4  -7.018  16.914   3.777
   13   3HG1  VAL   4          HG13      VAL   4  -7.601  15.291   4.183
   14   1HG2  VAL   4          HG21      VAL   4  -8.583  17.032   1.615
   15   2HG2  VAL   4          HG22      VAL   4  -8.709  15.521   0.674
   16   3HG2  VAL   4          HG23      VAL   4  -9.215  15.553   2.364
   17    H    LYS   5           H        LYS   5  -6.019  13.844   0.059
   18    HA   LYS   5           HA       LYS   5  -6.666  14.940  -2.677
   19   1HB   LYS   5          HB2       LYS   5  -5.536  12.257  -1.759
   20   2HB   LYS   5          HB3       LYS   5  -5.998  12.623  -3.413
   21   1HG   LYS   5          HG2       LYS   5  -3.738  14.033  -1.891
   22   2HG   LYS   5          HG3       LYS   5  -3.560  12.629  -2.934
   23   1HD   LYS   5          HD2       LYS   5  -3.078  14.143  -4.509
   24   2HD   LYS   5          HD3       LYS   5  -4.830  14.117  -4.723
   25   1HE   LYS   5          HE2       LYS   5  -4.879  16.133  -3.056
   26   2HE   LYS   5          HE3       LYS   5  -3.123  16.158  -3.204
   27   1HZ   LYS   5          HZ1       LYS   5  -5.057  16.485  -5.407
   28   2HZ   LYS   5          HZ2       LYS   5  -4.184  17.686  -4.705
   29   3HZ   LYS   5          HZ3       LYS   5  -3.418  16.517  -5.576
   30    H    TYR   6           H        TYR   6  -7.300  12.585  -0.162
   31    HA   TYR   6           HA       TYR   6  -8.552  10.784  -0.260
   32   1HB   TYR   6          HB2       TYR   6 -10.746  12.931  -0.228
   33   2HB   TYR   6          HB3       TYR   6 -10.784  11.137  -0.146
   34    HD1  TYR   6           HD1      TYR   6 -10.731  13.835   2.204
   35    HD2  TYR   6           HD2      TYR   6  -9.876   9.748   1.325
   36    HE1  TYR   6           HE1      TYR   6 -10.771  13.293   4.629
   37    HE2  TYR   6           HE2      TYR   6  -9.587   9.232   3.622
   38    HH   TYR   6           HH       TYR   6 -10.421  11.628   6.222
   39    H    TYR   7           H        TYR   7  -7.603  10.351  -2.049
   40    HA   TYR   7           HA       TYR   7  -8.716   9.610  -4.462
   41   1HB   TYR   7          HB2       TYR   7  -6.976   8.569  -2.226
   42   2HB   TYR   7          HB3       TYR   7  -7.462   7.398  -3.275
   43    HD1  TYR   7           HD1      TYR   7  -4.648   8.678  -2.516
   44    HD2  TYR   7           HD2      TYR   7  -7.202   9.303  -5.935
   45    HE1  TYR   7           HE1      TYR   7  -2.902  10.077  -3.593
   46    HE2  TYR   7           HE2      TYR   7  -5.495  10.726  -6.961
   47    HH   TYR   7           HH       TYR   7  -3.314  11.483  -6.827
   48    H    THR   8           H        THR   8 -10.264   8.322  -5.112
   49    HA   THR   8           HA       THR   8 -12.256   7.436  -3.176
   50    HB   THR   8           HB       THR   8 -13.506   6.935  -5.331
   51    HG1  THR   8           HG1      THR   8 -12.486   7.849  -7.201
   52   1HG2  THR   8          HG21      THR   8 -13.846   9.336  -5.840
   53   2HG2  THR   8          HG22      THR   8 -13.743   9.077  -4.087
   54   3HG2  THR   8          HG23      THR   8 -12.358   9.753  -4.964
   55    H    LEU   9           H        LEU   9 -12.937   5.262  -2.908
   56    HA   LEU   9           HA       LEU   9 -11.089   3.175  -3.165
   57   1HB   LEU   9          HB2       LEU   9 -12.649   2.859  -1.705
   58   2HB   LEU   9          HB3       LEU   9 -14.029   3.328  -2.693
   59    HG   LEU   9           HG       LEU   9 -12.387   0.791  -3.227
   60   1HD1  LEU   9          HD11      LEU   9 -14.717   1.084  -1.286
   61   2HD1  LEU   9          HD12      LEU   9 -13.969  -0.449  -1.789
   62   3HD1  LEU   9          HD13      LEU   9 -13.031   0.729  -0.859
   63   1HD2  LEU   9          HD21      LEU   9 -14.081   1.386  -4.983
   64   2HD2  LEU   9          HD22      LEU   9 -14.553  -0.068  -4.105
   65   3HD2  LEU   9          HD23      LEU   9 -15.331   1.482  -3.727
   66    H    GLU  10           H        GLU  10 -13.433   4.319  -5.588
   67    HA   GLU  10           HA       GLU  10 -13.043   2.462  -7.638
   68   1HB   GLU  10          HB2       GLU  10 -14.429   4.499  -7.953
   69   2HB   GLU  10          HB3       GLU  10 -12.999   5.522  -7.874
   70   1HG   GLU  10          HG2       GLU  10 -12.054   4.278  -9.870
   71   2HG   GLU  10          HG3       GLU  10 -13.588   3.426 -10.008
   72    H    GLU  11           H        GLU  11 -11.006   5.365  -7.021
   73    HA   GLU  11           HA       GLU  11  -9.109   4.603  -9.002
   74   1HB   GLU  11          HB2       GLU  11  -8.980   6.523  -6.613
   75   2HB   GLU  11          HB3       GLU  11  -7.582   6.195  -7.620
   76   1HG   GLU  11          HG2       GLU  11 -10.265   7.259  -8.670
   77   2HG   GLU  11          HG3       GLU  11  -8.895   8.282  -8.219
   78    H    ILE  12           H        ILE  12  -9.291   4.128  -5.500
   79    HA   ILE  12           HA       ILE  12  -6.643   3.307  -5.390
   80    HB   ILE  12           HB       ILE  12  -8.993   2.601  -3.559
   81   1HG1  ILE  12          HG12      ILE  12  -6.717   4.474  -2.851
   82   2HG1  ILE  12          HG13      ILE  12  -7.989   5.082  -3.908
   83   1HG2  ILE  12          HG21      ILE  12  -7.161   2.120  -1.874
   84   2HG2  ILE  12          HG22      ILE  12  -7.428   0.912  -3.128
   85   3HG2  ILE  12          HG23      ILE  12  -6.043   2.034  -3.242
   86   1HD1  ILE  12          HD11      ILE  12  -9.680   4.487  -2.150
   87   2HD1  ILE  12          HD12      ILE  12  -8.340   4.050  -1.079
   88   3HD1  ILE  12          HD13      ILE  12  -8.514   5.709  -1.670
   89    H    GLN  13           H        GLU  13  -9.623   1.401  -5.812
   90    HA   GLN  13           HA       GLU  13  -8.445  -1.179  -6.055
   91   1HB   GLN  13          HB2       GLU  13 -10.860   0.143  -7.386
   92   2HB   GLN  13          HB3       GLU  13 -10.462  -1.538  -7.657
   93   1HG   GLN  13          HG2       GLU  13 -10.672  -0.621  -4.776
   94   2HG   GLN  13          HG3       GLU  13 -12.162  -0.599  -5.720
   95    H    LYS  14           H        LYS  14  -9.144   1.339  -8.461
   96    HA   LYS  14           HA       LYS  14  -8.340   0.124 -10.810
   97   1HB   LYS  14          HB2       LYS  14  -9.443   2.401 -10.338
   98   2HB   LYS  14          HB3       LYS  14  -7.843   3.017 -10.028
   99   1HG   LYS  14          HG2       LYS  14  -7.919   3.737 -12.103
  100   2HG   LYS  14          HG3       LYS  14  -7.429   2.096 -12.518
  101   1HD   LYS  14          HD2       LYS  14  -9.285   2.848 -13.934
  102   2HD   LYS  14          HD3       LYS  14  -9.774   1.479 -12.941
  103   1HE   LYS  14          HE2       LYS  14 -11.542   3.202 -13.182
  104   2HE   LYS  14          HE3       LYS  14 -11.152   2.887 -11.508
  105   1HZ   LYS  14          HZ1       LYS  14 -10.228   5.238 -13.059
  106   2HZ   LYS  14          HZ2       LYS  14 -11.444   5.204 -11.970
  107   3HZ   LYS  14          HZ3       LYS  14  -9.903   5.015 -11.481
  108    H    HIS  15           H        HIS  15  -6.386   1.848  -8.386
  109    HA   HIS  15           HA       HIS  15  -3.885   1.659  -9.838
  110   1HB   HIS  15          HB2       HIS  15  -4.822   2.805  -7.215
  111   2HB   HIS  15          HB3       HIS  15  -3.121   2.456  -7.495
  112    HD1  HIS  15           HD1      HIS  15  -1.760   4.137  -8.643
  113    HD2  HIS  15           HD2      HIS  15  -5.859   4.504  -9.463
  114    HE1  HIS  15           HE1      HIS  15  -2.026   6.177 -10.212
  115    H    ASN  16           H        ASN  16  -4.252  -0.663 -10.070
  116    HA   ASN  16           HA       ASN  16  -2.083  -1.904  -8.516
  117   1HB   ASN  16          HB2       ASN  16  -4.010  -2.561  -7.174
  118   2HB   ASN  16          HB3       ASN  16  -4.820  -3.223  -8.596
  119   1HD2  ASN  16          HD21      ASN  16  -4.516  -4.844  -6.429
  120   2HD2  ASN  16          HD22      ASN  16  -3.295  -6.042  -6.676
  121    H    ASN  17           H        ASN  17  -1.112  -1.502 -10.642
  122    HA   ASN  17           HA       ASN  17  -1.523  -3.832 -12.416
  123   1HB   ASN  17          HB2       ASN  17  -3.025  -2.021 -13.252
  124   2HB   ASN  17          HB3       ASN  17  -1.643  -0.927 -13.352
  125   1HD2  ASN  17          HD21      ASN  17  -2.436  -4.317 -14.425
  126   2HD2  ASN  17          HD22      ASN  17  -1.832  -4.068 -16.054
  127    H    SER  18           H        SER  18   0.530  -3.060 -10.489
  128    HA   SER  18           HA       SER  18   2.805  -2.864 -10.270
  129   1HB   SER  18          HB2       SER  18   2.884  -4.032 -13.085
  130   2HB   SER  18          HB3       SER  18   4.140  -4.130 -11.839
  131    HG   SER  18           HG       SER  18   3.105  -5.740 -10.976
  132    H    LYS  19           H        LYS  19   2.035  -0.486 -10.502
  133    HA   LYS  19           HA       LYS  19   3.235   0.938 -12.808
  134   1HB   LYS  19          HB2       LYS  19   0.389   0.096 -12.438
  135   2HB   LYS  19          HB3       LYS  19   0.533   1.792 -12.746
  136   1HG   LYS  19          HG2       LYS  19   1.641  -0.447 -14.481
  137   2HG   LYS  19          HG3       LYS  19   0.176   0.473 -14.795
  138   1HD   LYS  19          HD2       LYS  19   3.053   1.465 -14.936
  139   2HD   LYS  19          HD3       LYS  19   1.861   1.332 -16.228
  140   1HE   LYS  19          HE2       LYS  19   0.453   3.086 -15.057
  141   2HE   LYS  19          HE3       LYS  19   1.749   3.283 -13.859
  142   1HZ   LYS  19          HZ1       LYS  19   2.025   3.805 -16.732
  143   2HZ   LYS  19          HZ2       LYS  19   1.885   4.926 -15.537
  144   3HZ   LYS  19          HZ3       LYS  19   3.214   3.963 -15.599
  145    H    SER  20           H        SER  20   0.776   1.337 -10.293
  146    HA   SER  20           HA       SER  20   2.313   3.248  -8.734
  147   1HB   SER  20          HB2       SER  20  -0.247   4.067 -10.096
  148   2HB   SER  20          HB3       SER  20   0.703   5.085  -8.983
  149    HG   SER  20           HG       SER  20   2.379   4.418 -10.828
  150    H    THR  21           H        THR  21   1.954   1.200  -7.754
  151    HA   THR  21           HA       THR  21  -0.582  -0.077  -7.367
  152    HB   THR  21           HB       THR  21   2.171  -0.550  -6.182
  153    HG1  THR  21           HG1      THR  21   1.048  -1.865  -8.398
  154   1HG2  THR  21          HG21      THR  21  -0.185  -2.457  -6.487
  155   2HG2  THR  21          HG22      THR  21   1.457  -2.936  -6.006
  156   3HG2  THR  21          HG23      THR  21   0.521  -1.863  -4.960
  157    H    TRP  22           H        TRP  22  -2.061   0.625  -5.882
  158    HA   TRP  22           HA       TRP  22  -1.189   2.248  -3.550
  159   1HB   TRP  22          HB2       TRP  22  -3.731   1.942  -5.130
  160   2HB   TRP  22          HB3       TRP  22  -3.736   2.710  -3.578
  161    HD1  TRP  22           HD1      TRP  22  -0.581   3.404  -5.461
  162    HE1  TRP  22           HE1      TRP  22  -0.522   5.580  -6.621
  163    HE3  TRP  22           HE3      TRP  22  -5.399   4.777  -4.597
  164    HZ2  TRP  22           HZ2      TRP  22  -2.532   7.602  -7.492
  165    HZ3  TRP  22           HZ3      TRP  22  -6.384   6.695  -5.798
  166    HH2  TRP  22           HH2      TRP  22  -4.999   8.004  -7.402
  167    H    LEU  23           H        LEU  23  -2.006   1.820  -1.416
  168    HA   LEU  23           HA       LEU  23  -3.965  -0.308  -1.146
  169   1HB   LEU  23          HB2       LEU  23  -2.275  -1.024   0.976
  170   2HB   LEU  23          HB3       LEU  23  -2.686  -1.924  -0.443
  171    HG   LEU  23           HG       LEU  23  -0.602  -0.879  -1.585
  172   1HD1  LEU  23          HD11      LEU  23   0.114  -0.716   1.358
  173   2HD1  LEU  23          HD12      LEU  23   1.136  -0.289  -0.041
  174   3HD1  LEU  23          HD13      LEU  23  -0.287   0.705   0.346
  175   1HD2  LEU  23          HD21      LEU  23   0.757  -2.667  -0.547
  176   2HD2  LEU  23          HD22      LEU  23  -0.504  -2.932   0.667
  177   3HD2  LEU  23          HD23      LEU  23  -0.851  -3.255  -1.045
  178    H    ILE  24           H        ILE  24  -4.946  -0.350   0.990
  179    HA   ILE  24           HA       ILE  24  -4.739   2.301   2.328
  180    HB   ILE  24           HB       ILE  24  -6.569   0.117   3.313
  181   1HG1  ILE  24          HG12      ILE  24  -7.093   0.129   0.906
  182   2HG1  ILE  24          HG13      ILE  24  -8.389   0.651   1.954
  183   1HG2  ILE  24          HG21      ILE  24  -6.388   2.017   4.677
  184   2HG2  ILE  24          HG22      ILE  24  -6.739   3.125   3.341
  185   3HG2  ILE  24          HG23      ILE  24  -7.995   2.011   3.936
  186   1HD1  ILE  24          HD11      ILE  24  -8.282   2.064   0.002
  187   2HD1  ILE  24          HD12      ILE  24  -7.765   3.064   1.363
  188   3HD1  ILE  24          HD13      ILE  24  -6.544   2.400   0.269
  189    H    LEU  25           H        LEU  25  -3.680   2.655   4.023
  190    HA   LEU  25           HA       LEU  25  -3.178   0.489   6.002
  191   1HB   LEU  25          HB2       LEU  25  -1.247   2.220   4.621
  192   2HB   LEU  25          HB3       LEU  25  -1.023   2.053   6.369
  193    HG   LEU  25           HG       LEU  25  -0.930  -0.386   6.106
  194   1HD1  LEU  25          HD11      LEU  25  -1.330   0.174   3.185
  195   2HD1  LEU  25          HD12      LEU  25  -0.316  -1.196   3.686
  196   3HD1  LEU  25          HD13      LEU  25  -1.966  -1.125   4.242
  197   1HD2  LEU  25          HD21      LEU  25   1.333  -0.533   5.082
  198   2HD2  LEU  25          HD22      LEU  25   1.089   1.033   4.302
  199   3HD2  LEU  25          HD23      LEU  25   1.198   0.936   6.077
  200    H    HIS  26           H        HIS  26  -4.722   1.149   7.415
  201    HA   HIS  26           HA       HIS  26  -5.693   2.362   9.082
  202   1HB   HIS  26          HB2       HIS  26  -3.532   4.465   8.950
  203   2HB   HIS  26          HB3       HIS  26  -4.395   3.844  10.355
  204    HD1  HIS  26           HD1      HIS  26  -3.512   1.114  10.958
  205    HD2  HIS  26           HD2      HIS  26  -1.221   3.554   8.405
  206    HE1  HIS  26           HE1      HIS  26  -1.232   0.002  10.713
  207    H    TYR  27           H        TYR  27  -6.693   2.761   6.567
  208    HA   TYR  27           HA       TYR  27  -7.969   4.100   5.233
  209   1HB   TYR  27          HB2       TYR  27  -8.382   5.519   7.882
  210   2HB   TYR  27          HB3       TYR  27  -9.252   5.918   6.412
  211    HD1  TYR  27           HD1      TYR  27  -8.946   2.378   6.225
  212    HD2  TYR  27           HD2      TYR  27 -11.084   5.534   8.282
  213    HE1  TYR  27           HE1      TYR  27 -10.960   1.003   6.278
  214    HE2  TYR  27           HE2      TYR  27 -13.013   4.021   8.537
  215    HH   TYR  27           HH       TYR  27 -13.415   1.343   6.409
  216    H    LYS  28           H        LYS  28  -4.986   4.930   5.696
  217    HA   LYS  28           HA       LYS  28  -5.296   7.354   3.976
  218   1HB   LYS  28          HB2       LYS  28  -3.172   6.625   5.951
  219   2HB   LYS  28          HB3       LYS  28  -2.650   7.215   4.369
  220   1HG   LYS  28          HG2       LYS  28  -2.776   9.072   5.902
  221   2HG   LYS  28          HG3       LYS  28  -3.861   9.208   4.533
  222   1HD   LYS  28          HD2       LYS  28  -5.146   9.962   6.229
  223   2HD   LYS  28          HD3       LYS  28  -5.749   8.332   6.106
  224   1HE   LYS  28          HE2       LYS  28  -3.761   9.414   8.176
  225   2HE   LYS  28          HE3       LYS  28  -5.463   9.024   8.459
  226   1HZ   LYS  28          HZ1       LYS  28  -4.072   7.278   9.247
  227   2HZ   LYS  28          HZ2       LYS  28  -4.946   6.703   7.997
  228   3HZ   LYS  28          HZ3       LYS  28  -3.360   7.078   7.785
  229    H    VAL  29           H        VAL  29  -3.816   7.234   2.100
  230    HA   VAL  29           HA       VAL  29  -3.874   4.493   0.956
  231    HB   VAL  29           HB       VAL  29  -4.435   7.208  -0.257
  232   1HG1  VAL  29          HG11      VAL  29  -3.187   5.911  -1.895
  233   2HG1  VAL  29          HG12      VAL  29  -4.291   4.535  -1.673
  234   3HG1  VAL  29          HG13      VAL  29  -4.893   6.081  -2.332
  235   1HG2  VAL  29          HG21      VAL  29  -6.103   4.672  -0.198
  236   2HG2  VAL  29          HG22      VAL  29  -6.270   5.937   1.030
  237   3HG2  VAL  29          HG23      VAL  29  -6.599   6.307  -0.685
  238    H    TYR  30           H        TYR  30  -2.105   3.722   0.092
  239    HA   TYR  30           HA       TYR  30   0.465   5.229   0.388
  240   1HB   TYR  30          HB2       TYR  30  -0.690   2.591   1.320
  241   2HB   TYR  30          HB3       TYR  30   1.022   2.695   1.133
  242    HD1  TYR  30           HD1      TYR  30   2.182   3.405   3.165
  243    HD2  TYR  30           HD2      TYR  30  -1.988   4.335   2.711
  244    HE1  TYR  30           HE1      TYR  30   2.001   4.137   5.562
  245    HE2  TYR  30           HE2      TYR  30  -2.070   5.115   4.984
  246    HH   TYR  30           HH       TYR  30   0.702   4.910   7.197
  247    H    ASP  31           H        ASP  31   1.622   5.218  -1.550
  248    HA   ASP  31           HA       ASP  31   0.911   3.210  -3.625
  249   1HB   ASP  31          HB2       ASP  31   0.695   5.699  -4.182
  250   2HB   ASP  31          HB3       ASP  31   2.468   5.762  -4.076
  251    H    LEU  32           H        LEU  32   2.703   2.144  -4.610
  252    HA   LEU  32           HA       LEU  32   5.347   2.597  -3.361
  253   1HB   LEU  32          HB2       LEU  32   4.848  -0.299  -3.593
  254   2HB   LEU  32          HB3       LEU  32   5.745   0.653  -2.410
  255    HG   LEU  32           HG       LEU  32   2.758   0.235  -2.368
  256   1HD1  LEU  32          HD11      LEU  32   4.213  -1.814  -1.917
  257   2HD1  LEU  32          HD12      LEU  32   4.973  -0.902  -0.585
  258   3HD1  LEU  32          HD13      LEU  32   3.251  -1.306  -0.519
  259   1HD2  LEU  32          HD21      LEU  32   2.750   1.976  -0.927
  260   2HD2  LEU  32          HD22      LEU  32   3.533   0.896   0.204
  261   3HD2  LEU  32          HD23      LEU  32   4.541   1.970  -0.793
  262    H    THR  33           H        THR  33   3.974   0.212  -5.624
  263    HA   THR  33           HA       THR  33   4.873  -0.823  -7.364
  264    HB   THR  33           HB       THR  33   5.038   2.006  -8.387
  265    HG1  THR  33           HG1      THR  33   3.224  -0.199  -8.459
  266   1HG2  THR  33          HG21      THR  33   5.317  -0.654  -9.886
  267   2HG2  THR  33          HG22      THR  33   5.006   0.915 -10.649
  268   3HG2  THR  33          HG23      THR  33   6.530   0.643  -9.823
  269    H    LYS  34           H        LYS  34   7.283   1.901  -7.182
  270    HA   LYS  34           HA       LYS  34   9.411   0.300  -8.269
  271   1HB   LYS  34          HB2       LYS  34   9.634   2.707  -8.193
  272   2HB   LYS  34          HB3       LYS  34   9.447   2.730  -6.426
  273   1HG   LYS  34          HG2       LYS  34  11.535   1.515  -6.124
  274   2HG   LYS  34          HG3       LYS  34  11.716   1.290  -7.872
  275   1HD   LYS  34          HD2       LYS  34  11.963   3.725  -8.166
  276   2HD   LYS  34          HD3       LYS  34  11.716   3.994  -6.434
  277   1HE   LYS  34          HE2       LYS  34  13.977   2.316  -7.649
  278   2HE   LYS  34          HE3       LYS  34  14.146   4.007  -7.156
  279   1HZ   LYS  34          HZ1       LYS  34  13.432   1.804  -5.291
  280   2HZ   LYS  34          HZ2       LYS  34  14.920   2.441  -5.463
  281   3HZ   LYS  34          HZ3       LYS  34  13.670   3.340  -4.887
  282    H    PHE  35           H        PHE  35   7.974   0.536  -5.074
  283    HA   PHE  35           HA       PHE  35  10.305  -0.423  -3.646
  284   1HB   PHE  35          HB2       PHE  35   8.338   0.983  -2.679
  285   2HB   PHE  35          HB3       PHE  35   7.430  -0.558  -2.749
  286    HD1  PHE  35           HD1      PHE  35  10.810   0.689  -1.574
  287    HD2  PHE  35           HD2      PHE  35   7.424  -1.883  -0.806
  288    HE1  PHE  35           HE1      PHE  35  12.024  -0.351   0.281
  289    HE2  PHE  35           HE2      PHE  35   8.623  -2.881   1.075
  290    HZ   PHE  35           HZ       PHE  35  10.961  -2.169   1.615
  291    H    LEU  36           H        LEU  36   7.641  -1.827  -5.402
  292    HA   LEU  36           HA       LEU  36   7.351  -4.361  -4.176
  293   1HB   LEU  36          HB2       LEU  36   7.227  -3.576  -7.125
  294   2HB   LEU  36          HB3       LEU  36   6.548  -4.984  -6.414
  295    HG   LEU  36           HG       LEU  36   5.574  -2.206  -5.752
  296   1HD1  LEU  36          HD11      LEU  36   4.420  -4.502  -7.400
  297   2HD1  LEU  36          HD12      LEU  36   3.610  -2.951  -7.104
  298   3HD1  LEU  36          HD13      LEU  36   5.092  -3.026  -8.085
  299   1HD2  LEU  36          HD21      LEU  36   3.726  -3.299  -4.652
  300   2HD2  LEU  36          HD22      LEU  36   4.458  -4.896  -4.917
  301   3HD2  LEU  36          HD23      LEU  36   5.243  -3.707  -3.846
  302    H    GLU  37           H        GLU  37   9.682  -3.128  -6.519
  303    HA   GLU  37           HA       GLU  37  11.068  -5.560  -7.094
  304   1HB   GLU  37          HB2       GLU  37  11.093  -3.412  -8.373
  305   2HB   GLU  37          HB3       GLU  37  12.084  -2.670  -7.123
  306   1HG   GLU  37          HG2       GLU  37  12.970  -5.205  -8.552
  307   2HG   GLU  37          HG3       GLU  37  13.186  -3.605  -9.276
  308    H    GLU  38           H        GLU  38  11.818  -2.882  -4.867
  309    HA   GLU  38           HA       GLU  38  14.070  -3.971  -3.584
  310   1HB   GLU  38          HB2       GLU  38  11.958  -2.068  -2.468
  311   2HB   GLU  38          HB3       GLU  38  13.582  -2.290  -1.824
  312   1HG   GLU  38          HG2       GLU  38  14.595  -1.351  -3.805
  313   2HG   GLU  38          HG3       GLU  38  13.059  -1.312  -4.674
  314    H    HIS  39           HN       HIS  39  10.652  -4.333  -2.886
  315    HA   HIS  39           HA       HIS  39  10.648  -4.892  -0.233
  316   1HB   HIS  39          HB2       HIS  39   8.686  -4.329  -1.594
  317   2HB   HIS  39          HB3       HIS  39   8.734  -5.922  -2.360
  318    HD1  HIS  39           HD1      HIS  39   6.471  -6.901  -1.403
  319    HD2  HIS  39           HD2      HIS  39   8.984  -5.073   1.435
  320    HE1  HIS  39           HE1      HIS  39   5.296  -7.096   0.838
  321    HA   PRO  40           HA       PRO  40  12.488  -9.093  -0.184
  322   1HB   PRO  40          HB2       PRO  40  11.592  -8.730   2.680
  323   2HB   PRO  40          HB3       PRO  40  13.084  -9.506   2.073
  324   1HG   PRO  40          HG2       PRO  40  13.252  -6.964   2.967
  325   2HG   PRO  40          HG3       PRO  40  13.978  -7.359   1.386
  326   1HD   PRO  40          HD2       PRO  40  11.248  -6.135   1.898
  327   2HD   PRO  40          HD3       PRO  40  12.545  -5.573   0.809
  328    H    GLY  41           H        GLY  41   9.344  -8.104   1.232
  329   1HA   GLY  41          HA1       GLY  41   8.025 -10.619   1.339
  330   2HA   GLY  41          HA2       GLY  41   7.274  -9.056   1.086
  331    H    GLY  42           H        GLY  42   8.912  -8.569  -1.441
  332   1HA   GLY  42          HA1       GLY  42   8.845  -9.075  -3.676
  333   2HA   GLY  42          HA2       GLY  42   7.881 -10.529  -3.353
  334    H    GLU  43           H        GLU  43   7.165  -9.209  -5.465
  335    HA   GLU  43           HA       GLU  43   5.363  -7.003  -5.005
  336   1HB   GLU  43          HB2       GLU  43   6.588  -6.980  -7.018
  337   2HB   GLU  43          HB3       GLU  43   6.165  -8.591  -7.463
  338   1HG   GLU  43          HG2       GLU  43   3.937  -8.160  -7.934
  339   2HG   GLU  43          HG3       GLU  43   3.970  -6.577  -7.140
  340    H    GLU  44           H        GLU  44   4.798 -10.382  -6.189
  341    HA   GLU  44           HA       GLU  44   2.150  -9.985  -6.662
  342   1HB   GLU  44          HB2       GLU  44   3.370 -12.638  -5.825
  343   2HB   GLU  44          HB3       GLU  44   1.892 -12.370  -6.772
  344   1HG   GLU  44          HG2       GLU  44   3.616 -10.873  -8.268
  345   2HG   GLU  44          HG3       GLU  44   4.760 -12.064  -7.625
  346    H    VAL  45           H        VAL  45   3.386 -11.405  -3.611
  347    HA   VAL  45           HA       VAL  45   0.897 -11.598  -2.292
  348    HB   VAL  45           HB       VAL  45   3.040 -12.630  -1.575
  349   1HG1  VAL  45          HG11      VAL  45   3.722  -9.881  -0.422
  350   2HG1  VAL  45          HG12      VAL  45   4.621 -11.387  -0.201
  351   3HG1  VAL  45          HG13      VAL  45   4.528 -10.643  -1.810
  352   1HG2  VAL  45          HG21      VAL  45   1.093 -12.524  -0.045
  353   2HG2  VAL  45          HG22      VAL  45   2.643 -12.509   0.812
  354   3HG2  VAL  45          HG23      VAL  45   1.716 -11.008   0.639
  355    H    LEU  46           H        LEU  46   2.768  -8.710  -2.996
  356    HA   LEU  46           HA       LEU  46   1.388  -7.064  -1.009
  357   1HB   LEU  46          HB2       LEU  46   3.752  -6.721  -1.860
  358   2HB   LEU  46          HB3       LEU  46   3.079  -6.230  -3.407
  359    HG   LEU  46           HG       LEU  46   3.796  -4.377  -2.065
  360   1HD1  LEU  46          HD11      LEU  46   0.781  -4.250  -2.312
  361   2HD1  LEU  46          HD12      LEU  46   1.957  -2.938  -2.506
  362   3HD1  LEU  46          HD13      LEU  46   1.854  -4.229  -3.714
  363   1HD2  LEU  46          HD21      LEU  46   3.292  -5.389   0.160
  364   2HD2  LEU  46          HD22      LEU  46   2.772  -3.707  -0.008
  365   3HD2  LEU  46          HD23      LEU  46   1.575  -5.015  -0.105
  366    H    ARG  47           H        ARG  47   1.349  -7.707  -4.518
  367    HA   ARG  47           HA       ARG  47  -0.722  -5.810  -5.110
  368   1HB   ARG  47          HB2       ARG  47   0.618  -8.022  -6.641
  369   2HB   ARG  47          HB3       ARG  47  -0.858  -7.270  -7.261
  370   1HG   ARG  47          HG2       ARG  47   0.163  -5.019  -7.133
  371   2HG   ARG  47          HG3       ARG  47   1.623  -5.707  -6.394
  372   1HD   ARG  47          HD2       ARG  47   1.969  -5.317  -8.821
  373   2HD   ARG  47          HD3       ARG  47   2.058  -7.019  -8.336
  374    HE   ARG  47           HE       ARG  47  -0.545  -6.058  -9.326
  375   1HH1  ARG  47          HH22      ARG  47   2.529  -7.602 -10.255
  376   2HH1  ARG  47          HH21      ARG  47   1.800  -8.893 -11.157
  377   1HH2  ARG  47          HH11      ARG  47  -1.508  -7.576 -10.795
  378   2HH2  ARG  47          HH12      ARG  47  -0.524  -8.729 -11.650
  379    H    GLU  48           H        GLU  48  -0.763  -9.183  -4.286
  380    HA   GLU  48           HA       GLU  48  -3.396 -10.001  -4.580
  381   1HB   GLU  48          HB2       GLU  48  -1.525 -11.312  -3.697
  382   2HB   GLU  48          HB3       GLU  48  -1.427 -10.237  -2.294
  383   1HG   GLU  48          HG2       GLU  48  -3.511 -11.118  -1.413
  384   2HG   GLU  48          HG3       GLU  48  -3.872 -11.950  -2.941
  385    H    GLN  49           H        GLN  49  -2.138  -7.501  -2.389
  386    HA   GLN  49           HA       GLN  49  -4.862  -7.088  -1.184
  387   1HB   GLN  49          HB2       GLN  49  -2.078  -6.355  -0.214
  388   2HB   GLN  49          HB3       GLN  49  -3.575  -6.039   0.650
  389   1HG   GLN  49          HG2       GLN  49  -2.470  -8.829  -0.093
  390   2HG   GLN  49          HG3       GLN  49  -2.329  -8.037   1.459
  391   1HE2  GLN  49          HE21      GLN  49  -4.960  -9.168  -0.816
  392   2HE2  GLN  49          HE22      GLN  49  -5.991  -9.634   0.522
  393    H    ALA  50           H        ALA  50  -2.237  -5.587  -2.917
  394    HA   ALA  50           HA       ALA  50  -2.935  -2.894  -2.667
  395   1HB   ALA  50          HB1       ALA  50  -0.916  -3.725  -3.876
  396   2HB   ALA  50          HB2       ALA  50  -1.982  -4.112  -5.260
  397   3HB   ALA  50          HB3       ALA  50  -1.811  -2.446  -4.726
  398    H    GLY  51           H        GLY  51  -4.080  -1.413  -3.955
  399   1HA   GLY  51          HA1       GLY  51  -6.200  -0.681  -4.300
  400   2HA   GLY  51          HA2       GLY  51  -6.209  -1.727  -5.725
  401    H    GLY  52           H        GLY  52  -5.913  -1.968  -2.160
  402   1HA   GLY  52          HA1       GLY  52  -8.597  -2.198  -1.521
  403   2HA   GLY  52          HA2       GLY  52  -7.869  -3.839  -1.537
  404    H    ASP  53           H        ASP  53  -8.382  -3.420   0.747
  405    HA   ASP  53           HA       ASP  53  -6.658  -1.744   2.356
  406   1HB   ASP  53          HB2       ASP  53  -8.786  -2.450   3.361
  407   2HB   ASP  53          HB3       ASP  53  -8.276  -4.155   3.269
  408    H    ALA  54           H        ALA  54  -4.780  -2.142   3.326
  409    HA   ALA  54           HA       ALA  54  -3.936  -4.972   3.600
  410   1HB   ALA  54          HB1       ALA  54  -1.984  -2.836   2.669
  411   2HB   ALA  54          HB2       ALA  54  -1.654  -4.557   2.967
  412   3HB   ALA  54          HB3       ALA  54  -2.696  -4.074   1.619
  413    H    THR  55           H        THR  55  -5.039  -2.482   5.264
  414    HA   THR  55           HA       THR  55  -2.964  -1.742   7.015
  415    HB   THR  55           HB       THR  55  -5.930  -1.951   7.750
  416    HG1  THR  55           HG1      THR  55  -5.806  -0.800   5.866
  417   1HG2  THR  55          HG21      THR  55  -3.615  -0.151   8.587
  418   2HG2  THR  55          HG22      THR  55  -5.298   0.003   9.178
  419   3HG2  THR  55          HG23      THR  55  -4.337  -1.421   9.602
  420    H    GLU  56           H        GLU  56  -5.546  -4.256   7.402
  421    HA   GLU  56           HA       GLU  56  -4.697  -5.101   9.972
  422   1HB   GLU  56          HB2       GLU  56  -6.963  -5.454   8.963
  423   2HB   GLU  56          HB3       GLU  56  -6.277  -6.588   7.793
  424   1HG   GLU  56          HG2       GLU  56  -5.614  -8.093   9.645
  425   2HG   GLU  56          HG3       GLU  56  -6.227  -6.921  10.825
  426    H    ASN  57           H        ASN  57  -4.254  -6.527   6.703
  427    HA   ASN  57           HA       ASN  57  -2.588  -8.625   7.351
  428   1HB   ASN  57          HB2       ASN  57  -3.619  -8.007   5.123
  429   2HB   ASN  57          HB3       ASN  57  -2.255  -6.913   4.851
  430   1HD2  ASN  57          HD21      ASN  57  -3.160  -9.414   3.409
  431   2HD2  ASN  57          HD22      ASN  57  -1.744 -10.459   3.439
  432    H    PHE  58           H        PHE  58  -1.476  -5.272   6.541
  433    HA   PHE  58           HA       PHE  58   1.289  -5.800   6.885
  434   1HB   PHE  58          HB2       PHE  58   0.419  -3.806   5.743
  435   2HB   PHE  58          HB3       PHE  58  -0.267  -3.210   7.247
  436    HD1  PHE  58           HD1      PHE  58   2.971  -4.161   5.617
  437    HD2  PHE  58           HD2      PHE  58   1.104  -2.062   8.884
  438    HE1  PHE  58           HE1      PHE  58   5.176  -3.255   6.293
  439    HE2  PHE  58           HE2      PHE  58   3.312  -1.273   9.628
  440    HZ   PHE  58           HZ       PHE  58   5.355  -1.828   8.326
  441    H    GLU  59           H        GLU  59  -1.057  -4.377   9.211
  442    HA   GLU  59           HA       GLU  59   0.861  -3.852  11.233
  443   1HB   GLU  59          HB2       GLU  59  -1.550  -2.926  10.874
  444   2HB   GLU  59          HB3       GLU  59  -2.092  -4.362  11.724
  445   1HG   GLU  59          HG2       GLU  59  -1.939  -2.846  13.460
  446   2HG   GLU  59          HG3       GLU  59  -0.347  -3.599  13.578
  447    H    ASP  60           H        ASP  60  -1.504  -6.387  10.814
  448    HA   ASP  60           HA       ASP  60  -1.075  -8.123  12.957
  449   1HB   ASP  60          HB2       ASP  60  -2.883  -8.306  11.171
  450   2HB   ASP  60          HB3       ASP  60  -1.650  -8.888  10.055
  451    H    HIS  61           H        HIS  61   0.441  -8.271   9.702
  452    HA   HIS  61           HA       HIS  61   2.635 -10.017  10.609
  453   1HB   HIS  61          HB2       HIS  61   1.385  -9.989   8.341
  454   2HB   HIS  61          HB3       HIS  61   2.432  -8.629   7.931
  455    HD1  HIS  61           HD1      HIS  61   5.129  -9.707   9.195
  456    HD2  HIS  61           HD2      HIS  61   2.289 -12.103   7.234
  457    HE1  HIS  61           HE1      HIS  61   6.264 -11.962   8.711
  458    H    GLY  62           H        GLY  62   2.501  -7.643  12.114
  459   1HA   GLY  62          HA1       GLY  62   3.538  -5.315  11.276
  460   2HA   GLY  62          HA2       GLY  62   3.680  -5.903  12.930
  461    H    HIS  63           HN       HIS  63   5.305  -6.007   9.793
  462    HA   HIS  63           HA       HIS  63   7.831  -6.826  10.883
  463   1HB   HIS  63          HB2       HIS  63   8.649  -6.457   8.546
  464   2HB   HIS  63          HB3       HIS  63   7.408  -7.661   8.831
  465    HD1  HIS  63           HD1      HIS  63   4.848  -6.982   8.094
  466    HD2  HIS  63           HD2      HIS  63   8.268  -5.315   6.405
  467    HE1  HIS  63           HE1      HIS  63   4.341  -6.756   5.672
  468    H    SER  64           H        SER  64   7.710  -5.119  12.483
  469    HA   SER  64           HA       SER  64   8.996  -3.681  13.559
  470   1HB   SER  64          HB2       SER  64  10.804  -4.743  12.141
  471   2HB   SER  64          HB3       SER  64  10.682  -3.341  11.062
  472    HG   SER  64           HG       SER  64  11.954  -2.361  12.486
  473    H    THR  65           H        THR  65  10.066  -1.492  13.497
  474    HA   THR  65           HA       THR  65   8.146   0.605  13.076
  475    HB   THR  65           HB       THR  65  10.546   1.844  13.471
  476    HG1  THR  65           HG1      THR  65  11.788  -0.160  13.128
  477   1HG2  THR  65          HG21      THR  65   8.743   1.736  15.159
  478   2HG2  THR  65          HG22      THR  65   9.223   0.074  15.576
  479   3HG2  THR  65          HG23      THR  65  10.327   1.428  15.896
  480    H    ASP  66           H        ASP  66  10.972  -0.577  11.364
  481    HA   ASP  66           HA       ASP  66  11.607   1.660   9.970
  482   1HB   ASP  66          HB2       ASP  66  12.105  -1.241   9.146
  483   2HB   ASP  66          HB3       ASP  66  13.102   0.167   8.754
  484    H    ALA  67           H        ALA  67   9.622  -1.062   8.894
  485    HA   ALA  67           HA       ALA  67   9.194  -0.151   6.201
  486   1HB   ALA  67          HB1       ALA  67   7.431  -1.935   6.212
  487   2HB   ALA  67          HB2       ALA  67   9.008  -2.534   6.773
  488   3HB   ALA  67          HB3       ALA  67   7.723  -2.183   7.944
  489    H    ARG  68           H        ARG  68   7.605   0.079   9.335
  490    HA   ARG  68           HA       ARG  68   5.190   1.300   8.506
  491   1HB   ARG  68          HB2       ARG  68   6.106   0.166  10.762
  492   2HB   ARG  68          HB3       ARG  68   6.378   1.843  11.233
  493   1HG   ARG  68          HG2       ARG  68   4.109   2.400  11.105
  494   2HG   ARG  68          HG3       ARG  68   3.684   0.992  10.118
  495   1HD   ARG  68          HD2       ARG  68   4.221  -0.535  11.988
  496   2HD   ARG  68          HD3       ARG  68   4.567   0.828  13.044
  497    HE   ARG  68           HE       ARG  68   1.988  -0.311  12.333
  498   1HH1  ARG  68          HH22      ARG  68   3.530   2.731  13.165
  499   2HH1  ARG  68          HH21      ARG  68   2.094   3.472  13.818
  500   1HH2  ARG  68          HH11      ARG  68   0.070   0.609  13.158
  501   2HH2  ARG  68          HH12      ARG  68   0.055   2.223  13.789
  502    H    GLU  69           H        GLU  69   8.365   2.654   9.531
  503    HA   GLU  69           HA       GLU  69   7.602   5.370   9.345
  504   1HB   GLU  69          HB2       GLU  69   9.845   4.393  10.316
  505   2HB   GLU  69          HB3       GLU  69  10.421   4.418   8.634
  506   1HG   GLU  69          HG2       GLU  69   9.277   6.769   8.618
  507   2HG   GLU  69          HG3       GLU  69   9.443   6.679  10.373
  508    H    LEU  70           H        LEU  70   9.232   3.195   7.075
  509    HA   LEU  70           HA       LEU  70   9.224   4.858   4.870
  510   1HB   LEU  70          HB2       LEU  70   9.548   1.972   5.252
  511   2HB   LEU  70          HB3       LEU  70   8.495   2.225   3.907
  512    HG   LEU  70           HG       LEU  70  10.599   2.137   2.948
  513   1HD1  LEU  70          HD11      LEU  70   9.186   4.360   2.520
  514   2HD1  LEU  70          HD12      LEU  70  10.597   5.142   3.235
  515   3HD1  LEU  70          HD13      LEU  70  10.800   4.136   1.794
  516   1HD2  LEU  70          HD21      LEU  70  11.918   2.228   4.998
  517   2HD2  LEU  70          HD22      LEU  70  12.588   3.347   3.795
  518   3HD2  LEU  70          HD23      LEU  70  11.626   3.972   5.154
  519    H    SER  71           H        SER  71   6.485   3.077   6.192
  520    HA   SER  71           HA       SER  71   4.824   3.412   3.851
  521   1HB   SER  71          HB2       SER  71   3.188   2.253   5.024
  522   2HB   SER  71          HB3       SER  71   4.646   1.627   5.769
  523    HG   SER  71           HG       SER  71   4.286   3.229   7.448
  524    H    LYS  72           H        LYS  72   5.267   5.323   6.807
  525    HA   LYS  72           HA       LYS  72   3.059   7.071   6.038
  526   1HB   LYS  72          HB2       LYS  72   3.762   8.655   7.709
  527   2HB   LYS  72          HB3       LYS  72   3.598   7.012   8.320
  528   1HG   LYS  72          HG2       LYS  72   5.444   7.840   9.415
  529   2HG   LYS  72          HG3       LYS  72   6.084   6.766   8.181
  530   1HD   LYS  72          HD2       LYS  72   6.606   8.894   6.795
  531   2HD   LYS  72          HD3       LYS  72   5.877   9.850   8.071
  532   1HE   LYS  72          HE2       LYS  72   7.856   9.955   9.151
  533   2HE   LYS  72          HE3       LYS  72   7.879   8.213   9.287
  534   1HZ   LYS  72          HZ1       LYS  72   8.799   8.360   6.852
  535   2HZ   LYS  72          HZ2       LYS  72   9.114   9.914   7.233
  536   3HZ   LYS  72          HZ3       LYS  72   9.814   8.718   8.102
  537    H    THR  73           H        THR  73   6.468   6.872   5.235
  538    HA   THR  73           HA       THR  73   6.543   9.375   3.781
  539    HB   THR  73           HB       THR  73   8.342   6.930   3.887
  540    HG1  THR  73           HG1      THR  73   8.763   9.578   4.717
  541   1HG2  THR  73          HG21      THR  73   8.726   7.881   1.701
  542   2HG2  THR  73          HG22      THR  73   8.786   9.528   2.372
  543   3HG2  THR  73          HG23      THR  73  10.049   8.341   2.778
  544    H    PHE  74           H        PHE  74   5.307   6.161   3.004
  545    HA   PHE  74           HA       PHE  74   5.142   6.740   0.123
  546   1HB   PHE  74          HB2       PHE  74   3.876   4.534   1.757
  547   2HB   PHE  74          HB3       PHE  74   3.988   4.606   0.012
  548    HD1  PHE  74           HD1      PHE  74   7.044   5.563   0.000
  549    HD2  PHE  74           HD2      PHE  74   4.760   2.318   1.647
  550    HE1  PHE  74           HE1      PHE  74   9.019   4.086  -0.164
  551    HE2  PHE  74           HE2      PHE  74   6.678   0.801   1.289
  552    HZ   PHE  74           HZ       PHE  74   8.891   1.749   0.721
  553    H    ILE  75           H        ILE  75   3.155   7.471   2.862
  554    HA   ILE  75           HA       ILE  75   0.592   7.398   1.783
  555    HB   ILE  75           HB       ILE  75   1.866   9.513   3.523
  556   1HG1  ILE  75          HG12      ILE  75  -0.430   7.585   4.062
  557   2HG1  ILE  75          HG13      ILE  75   1.241   7.086   4.175
  558   1HG2  ILE  75          HG21      ILE  75  -1.044   9.428   2.591
  559   2HG2  ILE  75          HG22      ILE  75  -0.454  10.400   3.951
  560   3HG2  ILE  75          HG23      ILE  75   0.111  10.755   2.331
  561   1HD1  ILE  75          HD11      ILE  75   1.619   8.964   5.863
  562   2HD1  ILE  75          HD12      ILE  75  -0.131   9.254   5.839
  563   3HD1  ILE  75          HD13      ILE  75   0.496   7.704   6.408
  564    H    ILE  76           H        ILE  76  -0.384   8.149   0.038
  565    HA   ILE  76           HA       ILE  76   0.754  10.516  -1.441
  566    HB   ILE  76           HB       ILE  76  -0.566   9.520  -3.368
  567   1HG1  ILE  76          HG12      ILE  76  -0.341   6.891  -1.882
  568   2HG1  ILE  76          HG13      ILE  76  -1.796   7.882  -1.691
  569   1HG2  ILE  76          HG21      ILE  76   1.795   7.908  -2.323
  570   2HG2  ILE  76          HG22      ILE  76   1.254   8.028  -4.009
  571   3HG2  ILE  76          HG23      ILE  76   1.898   9.451  -3.190
  572   1HD1  ILE  76          HD11      ILE  76  -1.694   6.030  -3.518
  573   2HD1  ILE  76          HD12      ILE  76  -2.532   7.554  -3.816
  574   3HD1  ILE  76          HD13      ILE  76  -0.907   7.300  -4.487
  575    H    GLY  77           H        GLY  77  -2.029   9.357   0.358
  576   1HA   GLY  77          HA1       GLY  77  -3.675  11.635   0.056
  577   2HA   GLY  77          HA2       GLY  77  -4.032  10.544  -1.290
  578    H    GLU  78           H        GLU  78  -6.305  10.339  -0.013
  579    HA   GLU  78           HA       GLU  78  -5.930   8.359   2.146
  580   1HB   GLU  78          HB2       GLU  78  -7.787  10.770   1.940
  581   2HB   GLU  78          HB3       GLU  78  -7.451   9.751   3.387
  582   1HG   GLU  78          HG2       GLU  78  -6.326  11.672   3.908
  583   2HG   GLU  78          HG3       GLU  78  -5.045  10.638   3.282
  584    H    LEU  79           H        LEU  79  -7.850   7.311   2.824
  585    HA   LEU  79           HA       LEU  79  -9.325   6.058   0.615
  586   1HB   LEU  79          HB2       LEU  79  -8.605   4.778   2.629
  587   2HB   LEU  79          HB3       LEU  79  -9.436   5.948   3.640
  588    HG   LEU  79           HG       LEU  79 -11.604   5.135   2.202
  589   1HD1  LEU  79          HD11      LEU  79 -10.294   3.615   0.783
  590   2HD1  LEU  79          HD12      LEU  79  -9.876   2.669   2.244
  591   3HD1  LEU  79          HD13      LEU  79 -11.560   2.834   1.744
  592   1HD2  LEU  79          HD21      LEU  79 -12.314   4.373   4.103
  593   2HD2  LEU  79          HD22      LEU  79 -11.018   3.172   4.266
  594   3HD2  LEU  79          HD23      LEU  79 -10.795   4.847   4.820
  595    H    HIS  80           H        HIS  80 -10.771   7.490  -0.401
  596    HA   HIS  80           HA       HIS  80 -12.086   9.445   0.873
  597   1HB   HIS  80          HB2       HIS  80 -12.039   9.107  -1.580
  598   2HB   HIS  80          HB3       HIS  80 -13.280   7.843  -1.370
  599    HD1  HIS  80           HD1      HIS  80 -15.796   8.875  -1.104
  600    HD2  HIS  80           HD2      HIS  80 -12.625  11.606  -0.762
  601    HE1  HIS  80           HE1      HIS  80 -16.849  11.154  -0.647
  602    HA   PRO  81           HA       PRO  81 -14.604   7.482   3.836
  603   1HB   PRO  81          HB2       PRO  81 -16.226  10.073   3.343
  604   2HB   PRO  81          HB3       PRO  81 -16.006   9.264   4.890
  605   1HG   PRO  81          HG2       PRO  81 -14.443  11.429   4.104
  606   2HG   PRO  81          HG3       PRO  81 -13.613  10.025   4.858
  607   1HD   PRO  81          HD2       PRO  81 -13.854  10.773   1.957
  608   2HD   PRO  81          HD3       PRO  81 -12.518  10.011   2.870
  609    H    ASP  82           H        ASP  82 -15.971   8.263   0.904
  610    HA   ASP  82           HA       ASP  82 -18.721   7.589   1.320
  611   1HB   ASP  82          HB2       ASP  82 -17.893   8.641  -0.781
  612   2HB   ASP  82          HB3       ASP  82 -16.911   7.187  -1.128
  613    H    ASP  83           H        ASP  83 -15.723   5.868   0.933
  614    HA   ASP  83           HA       ASP  83 -16.129   3.193   0.889
  615   1HB   ASP  83          HB2       ASP  83 -14.021   4.460   1.159
  616   2HB   ASP  83          HB3       ASP  83 -14.411   4.975   2.711
  617    H    ARG  84           H        ARG  84 -16.700   5.269   3.779
  618    HA   ARG  84           HA       ARG  84 -16.341   2.939   5.478
  619   1HB   ARG  84          HB2       ARG  84 -16.716   5.878   6.035
  620   2HB   ARG  84          HB3       ARG  84 -16.329   4.659   7.262
  621   1HG   ARG  84          HG2       ARG  84 -14.216   4.124   6.216
  622   2HG   ARG  84          HG3       ARG  84 -14.568   5.090   4.802
  623   1HD   ARG  84          HD2       ARG  84 -14.844   7.080   6.487
  624   2HD   ARG  84          HD3       ARG  84 -13.933   6.034   7.599
  625    HE   ARG  84           HE       ARG  84 -12.642   6.178   5.031
  626   1HH1  ARG  84          HH22      ARG  84 -13.185   8.092   7.927
  627   2HH1  ARG  84          HH21      ARG  84 -11.963   9.281   7.573
  628   1HH2  ARG  84          HH11      ARG  84 -11.171   7.865   4.415
  629   2HH2  ARG  84          HH12      ARG  84 -10.785   9.139   5.548
  630    HHA  HEM 201           HGM      HEM 201   9.938  -8.804   4.867
  631    HHB  HEM 201           HDM      HEM 201   9.632  -2.454   3.923
  632    HHC  HEM 201           HAM      HEM 201   3.308  -2.929   2.899
  633    HHD  HEM 201           HBM      HEM 201   3.730  -9.347   3.173
  634   1HMA  HEM 201          HM81      HEM 201  12.450  -4.252   5.679
  635   2HMA  HEM 201          HM82      HEM 201  12.475  -3.747   3.975
  636   3HMA  HEM 201          HM83      HEM 201  11.428  -2.928   5.159
  637   1HAA  HEM 201          HP71      HEM 201  12.058  -7.980   4.883
  638   2HAA  HEM 201          HP72      HEM 201  12.879  -6.398   5.255
  639   1HBA  HEM 201          HP73      HEM 201  10.956  -8.030   6.970
  640   2HBA  HEM 201          HP74      HEM 201  11.504  -6.311   7.300
  641   1HMB  HEM 201          HM11      HEM 201   7.210   0.453   3.616
  642   2HMB  HEM 201          HM12      HEM 201   8.648  -0.419   4.127
  643   3HMB  HEM 201          HM13      HEM 201   8.368  -0.173   2.409
  644    HAB  HEM 201          HT2A      HEM 201   4.108  -1.135   1.745
  645   1HBB  HEM 201          HV2C      HEM 201   4.993   0.982   3.547
  646   2HBB  HEM 201          HV2T      HEM 201   3.227   0.407   3.203
  647   1HMC  HEM 201          HM31      HEM 201   1.298  -3.677   3.394
  648   2HMC  HEM 201          HM32      HEM 201   0.742  -4.625   2.005
  649   3HMC  HEM 201          HM33      HEM 201   0.444  -5.199   3.657
  650    HAC  HEM 201          HT4A      HEM 201   1.218  -8.189   4.087
  651   1HBC  HEM 201          HV4C      HEM 201   0.546  -7.495   1.194
  652   2HBC  HEM 201          HV4T      HEM 201  -0.605  -7.714   2.647
  653   1HMD  HEM 201          HM51      HEM 201   4.837 -11.424   2.822
  654   2HMD  HEM 201          HM52      HEM 201   6.088 -12.300   3.704
  655   3HMD  HEM 201          HM53      HEM 201   4.765 -11.524   4.600
  656   1HAD  HEM 201          HP61      HEM 201   8.370 -12.018   4.265
  657   2HAD  HEM 201          HP62      HEM 201   9.315 -10.811   5.255
  658   1HBD  HEM 201          HP63      HEM 201   7.392 -10.792   6.897
  659   2HBD  HEM 201          HP64      HEM 201   6.764 -12.262   5.993
  Start of MODEL    6
    1   1H    ALA   3          H1        ALA   3  -5.558  20.794   4.451
    2   2H    ALA   3          H2        ALA   3  -5.587  21.043   2.844
    3   3H    ALA   3          H3        ALA   3  -6.660  21.871   3.824
    4    HA   ALA   3           HA       ALA   3  -7.531  19.592   4.425
    5   1HB   ALA   3          HB1       ALA   3  -8.776  21.099   2.881
    6   2HB   ALA   3          HB2       ALA   3  -7.792  20.514   1.520
    7   3HB   ALA   3          HB3       ALA   3  -8.892  19.408   2.363
    8    H    VAL   4           H        VAL   4  -7.807  17.410   3.144
    9    HA   VAL   4           HA       VAL   4  -5.178  16.455   2.185
   10    HB   VAL   4           HB       VAL   4  -7.489  14.596   1.943
   11   1HG1  VAL   4          HG11      VAL   4  -5.925  13.073   2.994
   12   2HG1  VAL   4          HG12      VAL   4  -5.053  13.978   1.748
   13   3HG1  VAL   4          HG13      VAL   4  -4.854  14.407   3.461
   14   1HG2  VAL   4          HG21      VAL   4  -6.846  15.578   4.706
   15   2HG2  VAL   4          HG22      VAL   4  -8.407  15.610   3.821
   16   3HG2  VAL   4          HG23      VAL   4  -7.677  14.061   4.280
   17    H    LYS   5           H        LYS   5  -6.371  14.649   0.278
   18    HA   LYS   5           HA       LYS   5  -7.812  16.359  -1.635
   19   1HB   LYS   5          HB2       LYS   5  -5.516  16.034  -2.512
   20   2HB   LYS   5          HB3       LYS   5  -5.688  14.278  -2.332
   21   1HG   LYS   5          HG2       LYS   5  -7.567  14.291  -3.954
   22   2HG   LYS   5          HG3       LYS   5  -7.403  16.037  -4.163
   23   1HD   LYS   5          HD2       LYS   5  -5.139  14.053  -4.646
   24   2HD   LYS   5          HD3       LYS   5  -6.318  14.483  -5.904
   25   1HE   LYS   5          HE2       LYS   5  -5.629  16.867  -5.737
   26   2HE   LYS   5          HE3       LYS   5  -4.449  16.447  -4.484
   27   1HZ   LYS   5          HZ1       LYS   5  -3.333  15.049  -6.079
   28   2HZ   LYS   5          HZ2       LYS   5  -4.412  15.457  -7.254
   29   3HZ   LYS   5          HZ3       LYS   5  -3.417  16.601  -6.619
   30    H    TYR   6           H        TYR   6  -6.918  13.120  -0.556
   31    HA   TYR   6           HA       TYR   6  -8.016  11.204  -0.273
   32   1HB   TYR   6          HB2       TYR   6 -10.664  12.812  -0.446
   33   2HB   TYR   6          HB3       TYR   6 -10.481  11.104  -0.458
   34    HD1  TYR   6           HD1      TYR   6 -10.094   9.799   1.351
   35    HD2  TYR   6           HD2      TYR   6 -10.068  14.080   1.711
   36    HE1  TYR   6           HE1      TYR   6 -10.072   9.548   3.726
   37    HE2  TYR   6           HE2      TYR   6 -10.182  13.850   4.188
   38    HH   TYR   6           HH       TYR   6  -9.041  11.491   5.676
   39    H    TYR   7           H        TYR   7  -8.871   9.625  -1.225
   40    HA   TYR   7           HA       TYR   7  -8.956   9.565  -4.176
   41   1HB   TYR   7          HB2       TYR   7  -7.095   8.745  -2.006
   42   2HB   TYR   7          HB3       TYR   7  -7.429   7.468  -2.974
   43    HD1  TYR   7           HD1      TYR   7  -7.400  10.597  -5.016
   44    HD2  TYR   7           HD2      TYR   7  -4.776   7.923  -2.847
   45    HE1  TYR   7           HE1      TYR   7  -5.547  12.040  -5.493
   46    HE2  TYR   7           HE2      TYR   7  -2.892   9.407  -3.383
   47    HH   TYR   7           HH       TYR   7  -2.568  11.702  -3.619
   48    H    THR   8           H        THR   8 -10.377   8.245  -4.946
   49    HA   THR   8           HA       THR   8 -12.313   7.119  -3.068
   50    HB   THR   8           HB       THR   8 -13.534   6.698  -5.308
   51    HG1  THR   8           HG1      THR   8 -12.533   7.918  -7.047
   52   1HG2  THR   8          HG21      THR   8 -13.923   8.700  -3.882
   53   2HG2  THR   8          HG22      THR   8 -12.571   9.531  -4.695
   54   3HG2  THR   8          HG23      THR   8 -14.030   9.095  -5.610
   55    H    LEU   9           H        LEU   9 -12.961   4.818  -3.156
   56    HA   LEU   9           HA       LEU   9 -10.941   2.919  -3.563
   57   1HB   LEU   9          HB2       LEU   9 -12.589   2.458  -2.200
   58   2HB   LEU   9          HB3       LEU   9 -13.930   2.770  -3.315
   59    HG   LEU   9           HG       LEU   9 -13.684   0.448  -2.627
   60   1HD1  LEU   9          HD11      LEU   9 -13.845  -0.686  -4.699
   61   2HD1  LEU   9          HD12      LEU   9 -14.587   0.910  -4.869
   62   3HD1  LEU   9          HD13      LEU   9 -12.996   0.585  -5.580
   63   1HD2  LEU   9          HD21      LEU   9 -11.367   0.317  -2.089
   64   2HD2  LEU   9          HD22      LEU   9 -11.724  -0.926  -3.302
   65   3HD2  LEU   9          HD23      LEU   9 -10.873   0.565  -3.768
   66    H    GLU  10           H        GLU  10 -13.376   4.144  -5.840
   67    HA   GLU  10           HA       GLU  10 -12.946   2.711  -8.138
   68   1HB   GLU  10          HB2       GLU  10 -14.389   4.737  -7.851
   69   2HB   GLU  10          HB3       GLU  10 -12.956   5.757  -7.885
   70   1HG   GLU  10          HG2       GLU  10 -14.017   5.814 -10.046
   71   2HG   GLU  10          HG3       GLU  10 -12.468   4.984 -10.210
   72    H    GLU  11           H        GLU  11 -10.892   5.477  -7.077
   73    HA   GLU  11           HA       GLU  11  -8.872   5.076  -9.109
   74   1HB   GLU  11          HB2       GLU  11  -8.950   6.607  -6.448
   75   2HB   GLU  11          HB3       GLU  11  -7.472   6.424  -7.350
   76   1HG   GLU  11          HG2       GLU  11  -9.972   7.584  -8.631
   77   2HG   GLU  11          HG3       GLU  11  -8.780   8.560  -7.754
   78    H    ILE  12           H        ILE  12  -9.173   4.149  -5.683
   79    HA   ILE  12           HA       ILE  12  -6.507   3.360  -5.561
   80    HB   ILE  12           HB       ILE  12  -8.837   2.511  -3.794
   81   1HG1  ILE  12          HG12      ILE  12  -6.655   4.467  -3.015
   82   2HG1  ILE  12          HG13      ILE  12  -7.973   5.059  -4.023
   83   1HG2  ILE  12          HG21      ILE  12  -6.958   2.133  -2.097
   84   2HG2  ILE  12          HG22      ILE  12  -7.206   0.912  -3.345
   85   3HG2  ILE  12          HG23      ILE  12  -5.865   2.086  -3.488
   86   1HD1  ILE  12          HD11      ILE  12  -8.367   5.487  -1.699
   87   2HD1  ILE  12          HD12      ILE  12  -9.593   4.354  -2.292
   88   3HD1  ILE  12          HD13      ILE  12  -8.257   3.771  -1.275
   89    H    GLN  13           H        GLU  13  -9.376   1.472  -6.388
   90    HA   GLN  13           HA       GLU  13  -8.063  -1.102  -6.422
   91   1HB   GLN  13          HB2       GLU  13 -10.468   0.002  -7.982
   92   2HB   GLN  13          HB3       GLU  13  -9.847  -1.635  -8.218
   93   1HG   GLN  13          HG2       GLU  13 -10.212  -2.102  -5.788
   94   2HG   GLN  13          HG3       GLU  13 -10.986  -0.513  -5.669
   95    H    LYS  14           H        LYS  14  -8.660   1.429  -8.804
   96    HA   LYS  14           HA       LYS  14  -7.694   0.279 -11.150
   97   1HB   LYS  14          HB2       LYS  14  -8.729   2.720 -10.336
   98   2HB   LYS  14          HB3       LYS  14  -7.100   3.156 -10.482
   99   1HG   LYS  14          HG2       LYS  14  -8.246   3.672 -12.537
  100   2HG   LYS  14          HG3       LYS  14  -7.220   2.283 -12.924
  101   1HD   LYS  14          HD2       LYS  14  -9.559   2.176 -13.852
  102   2HD   LYS  14          HD3       LYS  14  -9.143   0.773 -12.857
  103   1HE   LYS  14          HE2       LYS  14 -10.453   1.582 -10.984
  104   2HE   LYS  14          HE3       LYS  14 -10.648   3.184 -11.724
  105   1HZ   LYS  14          HZ1       LYS  14 -12.024   2.115 -13.396
  106   2HZ   LYS  14          HZ2       LYS  14 -11.899   0.664 -12.588
  107   3HZ   LYS  14          HZ3       LYS  14 -12.588   1.986 -11.887
  108    H    HIS  15           H        HIS  15  -6.038   2.112  -8.619
  109    HA   HIS  15           HA       HIS  15  -3.360   1.843  -9.692
  110   1HB   HIS  15          HB2       HIS  15  -4.655   2.961  -7.206
  111   2HB   HIS  15          HB3       HIS  15  -2.946   2.541  -7.240
  112    HD1  HIS  15           HD1      HIS  15  -1.294   3.995  -8.290
  113    HD2  HIS  15           HD2      HIS  15  -5.273   5.006  -9.174
  114    HE1  HIS  15           HE1      HIS  15  -1.216   6.324  -9.380
  115    H    ASN  16           H        ASN  16  -3.807  -0.511 -10.005
  116    HA   ASN  16           HA       ASN  16  -1.843  -1.713  -8.191
  117   1HB   ASN  16          HB2       ASN  16  -2.968  -3.727  -7.640
  118   2HB   ASN  16          HB3       ASN  16  -3.946  -2.352  -7.133
  119   1HD2  ASN  16          HD21      ASN  16  -5.459  -4.277  -6.985
  120   2HD2  ASN  16          HD22      ASN  16  -6.463  -4.553  -8.407
  121    H    ASN  17           H        ASN  17  -1.608  -0.679 -10.719
  122    HA   ASN  17           HA       ASN  17  -0.319  -2.853 -12.077
  123   1HB   ASN  17          HB2       ASN  17  -1.336  -2.523 -14.223
  124   2HB   ASN  17          HB3       ASN  17  -2.672  -2.796 -13.109
  125   1HD2  ASN  17          HD21      ASN  17  -4.062  -0.874 -12.500
  126   2HD2  ASN  17          HD22      ASN  17  -4.024   0.503 -13.550
  127    H    SER  18           H        SER  18   0.465  -1.325 -14.284
  128    HA   SER  18           HA       SER  18   2.543   0.244 -13.485
  129   1HB   SER  18          HB2       SER  18   0.881   0.700 -15.991
  130   2HB   SER  18          HB3       SER  18   2.636   0.889 -15.798
  131    HG   SER  18           HG       SER  18   2.759  -1.374 -15.497
  132    H    LYS  19           H        LYS  19  -0.802   1.265 -13.961
  133    HA   LYS  19           HA       LYS  19  -0.975   3.950 -13.716
  134   1HB   LYS  19          HB2       LYS  19  -2.753   2.220 -13.608
  135   2HB   LYS  19          HB3       LYS  19  -2.282   1.814 -11.980
  136   1HG   LYS  19          HG2       LYS  19  -4.231   3.036 -11.794
  137   2HG   LYS  19          HG3       LYS  19  -2.946   4.049 -11.196
  138   1HD   LYS  19          HD2       LYS  19  -4.223   4.287 -13.974
  139   2HD   LYS  19          HD3       LYS  19  -4.824   5.117 -12.545
  140   1HE   LYS  19          HE2       LYS  19  -2.256   5.698 -14.049
  141   2HE   LYS  19          HE3       LYS  19  -3.640   6.732 -13.722
  142   1HZ   LYS  19          HZ1       LYS  19  -1.565   5.882 -11.830
  143   2HZ   LYS  19          HZ2       LYS  19  -2.009   7.406 -12.247
  144   3HZ   LYS  19          HZ3       LYS  19  -2.998   6.490 -11.293
  145    H    SER  20           H        SER  20  -0.187   1.747 -11.198
  146    HA   SER  20           HA       SER  20   1.840   1.987 -10.098
  147   1HB   SER  20          HB2       SER  20   2.012   4.479 -10.358
  148   2HB   SER  20          HB3       SER  20   1.014   4.647  -8.895
  149    HG   SER  20           HG       SER  20   2.699   3.941  -7.731
  150    H    THR  21           H        THR  21   2.110   1.076  -8.066
  151    HA   THR  21           HA       THR  21  -0.218  -0.341  -7.349
  152    HB   THR  21           HB       THR  21   2.546  -0.516  -6.089
  153    HG1  THR  21           HG1      THR  21   2.989  -0.468  -8.201
  154   1HG2  THR  21          HG21      THR  21   0.766  -2.002  -5.171
  155   2HG2  THR  21          HG22      THR  21   0.420  -2.597  -6.813
  156   3HG2  THR  21          HG23      THR  21   1.981  -2.937  -6.049
  157    H    TRP  22           H        TRP  22  -1.713   0.589  -5.986
  158    HA   TRP  22           HA       TRP  22  -0.822   2.107  -3.598
  159   1HB   TRP  22          HB2       TRP  22  -3.393   1.904  -5.151
  160   2HB   TRP  22          HB3       TRP  22  -3.376   2.551  -3.556
  161    HD1  TRP  22           HD1      TRP  22  -0.268   3.468  -5.459
  162    HE1  TRP  22           HE1      TRP  22  -0.296   5.762  -6.356
  163    HE3  TRP  22           HE3      TRP  22  -5.126   4.483  -4.493
  164    HZ2  TRP  22           HZ2      TRP  22  -2.405   7.846  -6.912
  165    HZ3  TRP  22           HZ3      TRP  22  -6.216   6.535  -5.395
  166    HH2  TRP  22           HH2      TRP  22  -4.894   8.162  -6.695
  167    H    LEU  23           H        LEU  23  -1.611   1.527  -1.511
  168    HA   LEU  23           HA       LEU  23  -3.559  -0.622  -1.314
  169   1HB   LEU  23          HB2       LEU  23  -1.681  -1.298   0.733
  170   2HB   LEU  23          HB3       LEU  23  -2.320  -2.266  -0.528
  171    HG   LEU  23           HG       LEU  23  -0.330  -1.119  -1.981
  172   1HD1  LEU  23          HD11      LEU  23   0.685  -1.165   0.878
  173   2HD1  LEU  23          HD12      LEU  23   1.558  -0.756  -0.624
  174   3HD1  LEU  23          HD13      LEU  23   0.266   0.315  -0.039
  175   1HD2  LEU  23          HD21      LEU  23   0.139  -3.365  -0.012
  176   2HD2  LEU  23          HD22      LEU  23  -0.509  -3.533  -1.663
  177   3HD2  LEU  23          HD23      LEU  23   1.146  -2.925  -1.413
  178    H    ILE  24           H        ILE  24  -4.386  -0.725   0.985
  179    HA   ILE  24           HA       ILE  24  -4.179   2.002   2.174
  180    HB   ILE  24           HB       ILE  24  -6.627   0.331   2.511
  181   1HG1  ILE  24          HG12      ILE  24  -6.296   2.157   0.117
  182   2HG1  ILE  24          HG13      ILE  24  -6.195   0.398  -0.010
  183   1HG2  ILE  24          HG21      ILE  24  -6.201   2.429   3.778
  184   2HG2  ILE  24          HG22      ILE  24  -6.388   3.304   2.238
  185   3HG2  ILE  24          HG23      ILE  24  -7.730   2.350   2.904
  186   1HD1  ILE  24          HD11      ILE  24  -8.427   1.070  -0.606
  187   2HD1  ILE  24          HD12      ILE  24  -8.455   0.123   0.885
  188   3HD1  ILE  24          HD13      ILE  24  -8.640   1.884   0.949
  189    H    LEU  25           H        LEU  25  -3.369   2.188   4.053
  190    HA   LEU  25           HA       LEU  25  -3.421  -0.062   6.039
  191   1HB   LEU  25          HB2       LEU  25  -1.156   1.546   5.019
  192   2HB   LEU  25          HB3       LEU  25  -1.140   1.010   6.699
  193    HG   LEU  25           HG       LEU  25  -1.104  -1.307   5.984
  194   1HD1  LEU  25          HD11      LEU  25  -2.349  -1.465   3.970
  195   2HD1  LEU  25          HD12      LEU  25  -1.375  -0.202   3.159
  196   3HD1  LEU  25          HD13      LEU  25  -0.691  -1.802   3.506
  197   1HD2  LEU  25          HD21      LEU  25   0.888   0.397   4.410
  198   2HD2  LEU  25          HD22      LEU  25   1.030  -0.040   6.124
  199   3HD2  LEU  25          HD23      LEU  25   1.115  -1.296   4.873
  200    H    HIS  26           H        HIS  26  -5.195   0.869   7.088
  201    HA   HIS  26           HA       HIS  26  -6.228   2.095   8.683
  202   1HB   HIS  26          HB2       HIS  26  -3.833   3.955   8.926
  203   2HB   HIS  26          HB3       HIS  26  -5.146   3.707  10.057
  204    HD1  HIS  26           HD1      HIS  26  -5.008   1.523  11.621
  205    HD2  HIS  26           HD2      HIS  26  -1.800   2.153   8.956
  206    HE1  HIS  26           HE1      HIS  26  -3.100   0.020  12.392
  207    H    TYR  27           H        TYR  27  -6.870   2.481   6.130
  208    HA   TYR  27           HA       TYR  27  -8.020   3.771   4.696
  209   1HB   TYR  27          HB2       TYR  27  -8.218   5.802   6.924
  210   2HB   TYR  27          HB3       TYR  27  -9.066   5.854   5.389
  211    HD1  TYR  27           HD1      TYR  27  -9.293   2.442   5.875
  212    HD2  TYR  27           HD2      TYR  27 -10.838   6.169   7.420
  213    HE1  TYR  27           HE1      TYR  27 -11.234   1.291   6.772
  214    HE2  TYR  27           HE2      TYR  27 -12.653   4.961   8.498
  215    HH   TYR  27           HH       TYR  27 -13.905   3.052   8.106
  216    H    LYS  28           H        LYS  28  -5.204   5.386   6.109
  217    HA   LYS  28           HA       LYS  28  -4.646   7.171   3.938
  218   1HB   LYS  28          HB2       LYS  28  -3.094   5.681   6.063
  219   2HB   LYS  28          HB3       LYS  28  -2.236   6.220   4.619
  220   1HG   LYS  28          HG2       LYS  28  -2.067   7.832   6.505
  221   2HG   LYS  28          HG3       LYS  28  -2.661   8.469   4.964
  222   1HD   LYS  28          HD2       LYS  28  -4.045   9.441   6.478
  223   2HD   LYS  28          HD3       LYS  28  -4.987   8.152   5.786
  224   1HE   LYS  28          HE2       LYS  28  -4.039   6.860   8.014
  225   2HE   LYS  28          HE3       LYS  28  -4.144   8.535   8.587
  226   1HZ   LYS  28          HZ1       LYS  28  -6.229   6.729   7.700
  227   2HZ   LYS  28          HZ2       LYS  28  -6.274   7.817   8.930
  228   3HZ   LYS  28          HZ3       LYS  28  -6.460   8.344   7.369
  229    H    VAL  29           H        VAL  29  -3.524   6.899   2.053
  230    HA   VAL  29           HA       VAL  29  -3.605   4.162   0.873
  231    HB   VAL  29           HB       VAL  29  -4.076   6.893  -0.352
  232   1HG1  VAL  29          HG11      VAL  29  -4.535   5.660  -2.421
  233   2HG1  VAL  29          HG12      VAL  29  -2.833   5.532  -1.958
  234   3HG1  VAL  29          HG13      VAL  29  -3.928   4.160  -1.682
  235   1HG2  VAL  29          HG21      VAL  29  -6.287   6.098  -0.787
  236   2HG2  VAL  29          HG22      VAL  29  -5.867   4.430  -0.346
  237   3HG2  VAL  29          HG23      VAL  29  -5.988   5.659   0.910
  238    H    TYR  30           H        TYR  30  -1.802   3.435  -0.086
  239    HA   TYR  30           HA       TYR  30   0.744   4.912   0.434
  240   1HB   TYR  30          HB2       TYR  30  -0.348   2.146   1.016
  241   2HB   TYR  30          HB3       TYR  30   1.348   2.419   1.048
  242    HD1  TYR  30           HD1      TYR  30   2.272   3.706   3.064
  243    HD2  TYR  30           HD2      TYR  30  -1.976   3.357   2.476
  244    HE1  TYR  30           HE1      TYR  30   1.842   4.385   5.432
  245    HE2  TYR  30           HE2      TYR  30  -2.341   3.911   4.801
  246    HH   TYR  30           HH       TYR  30  -1.383   3.986   6.870
  247    H    ASP  31           H        ASP  31   1.741   5.222  -1.553
  248    HA   ASP  31           HA       ASP  31   1.292   3.237  -3.737
  249   1HB   ASP  31          HB2       ASP  31   1.084   5.744  -4.128
  250   2HB   ASP  31          HB3       ASP  31   2.857   5.803  -3.993
  251    H    LEU  32           H        LEU  32   2.870   1.759  -4.133
  252    HA   LEU  32           HA       LEU  32   5.646   2.457  -3.630
  253   1HB   LEU  32          HB2       LEU  32   6.115   0.769  -1.848
  254   2HB   LEU  32          HB3       LEU  32   5.095   2.132  -1.511
  255    HG   LEU  32           HG       LEU  32   3.133   0.315  -1.994
  256   1HD1  LEU  32          HD11      LEU  32   3.736  -1.738  -0.773
  257   2HD1  LEU  32          HD12      LEU  32   4.885  -1.537  -2.114
  258   3HD1  LEU  32          HD13      LEU  32   5.359  -1.117  -0.443
  259   1HD2  LEU  32          HD21      LEU  32   4.639   0.851   0.577
  260   2HD2  LEU  32          HD22      LEU  32   3.387   1.928  -0.097
  261   3HD2  LEU  32          HD23      LEU  32   2.967   0.327   0.522
  262    H    THR  33           H        THR  33   4.451   1.736  -5.835
  263    HA   THR  33           HA       THR  33   4.991  -0.789  -6.995
  264    HB   THR  33           HB       THR  33   5.776   1.910  -8.183
  265    HG1  THR  33           HG1      THR  33   3.732   2.187  -8.438
  266   1HG2  THR  33          HG21      THR  33   6.664  -0.004  -9.502
  267   2HG2  THR  33          HG22      THR  33   5.060  -0.766  -9.485
  268   3HG2  THR  33          HG23      THR  33   5.310   0.768 -10.342
  269    H    LYS  34           H        LYS  34   7.353   1.822  -6.257
  270    HA   LYS  34           HA       LYS  34   9.585   0.419  -7.364
  271   1HB   LYS  34          HB2       LYS  34  10.952   2.130  -6.365
  272   2HB   LYS  34          HB3       LYS  34   9.524   2.844  -7.122
  273   1HG   LYS  34          HG2       LYS  34   8.456   3.030  -4.843
  274   2HG   LYS  34          HG3       LYS  34   9.946   2.378  -4.131
  275   1HD   LYS  34          HD2       LYS  34  11.234   4.255  -5.131
  276   2HD   LYS  34          HD3       LYS  34   9.730   4.914  -5.811
  277   1HE   LYS  34          HE2       LYS  34   8.799   5.130  -3.491
  278   2HE   LYS  34          HE3       LYS  34  10.329   4.510  -2.836
  279   1HZ   LYS  34          HZ1       LYS  34  10.228   6.892  -2.753
  280   2HZ   LYS  34          HZ2       LYS  34  11.433   6.426  -3.768
  281   3HZ   LYS  34          HZ3       LYS  34  10.015   7.002  -4.378
  282    H    PHE  35           H        PHE  35   7.920  -0.006  -4.348
  283    HA   PHE  35           HA       PHE  35  10.296  -1.080  -2.942
  284   1HB   PHE  35          HB2       PHE  35   8.292   0.372  -1.960
  285   2HB   PHE  35          HB3       PHE  35   7.463  -1.191  -1.967
  286    HD1  PHE  35           HD1      PHE  35   8.152  -2.897  -0.290
  287    HD2  PHE  35           HD2      PHE  35  10.550   0.628  -0.862
  288    HE1  PHE  35           HE1      PHE  35   9.665  -3.556   1.568
  289    HE2  PHE  35           HE2      PHE  35  11.890   0.037   1.137
  290    HZ   PHE  35           HZ       PHE  35  11.422  -2.041   2.353
  291    H    LEU  36           H        LEU  36   7.464  -2.110  -4.763
  292    HA   LEU  36           HA       LEU  36   6.965  -4.685  -3.942
  293   1HB   LEU  36          HB2       LEU  36   7.330  -3.680  -6.803
  294   2HB   LEU  36          HB3       LEU  36   6.513  -5.154  -6.400
  295    HG   LEU  36           HG       LEU  36   5.487  -2.446  -5.663
  296   1HD1  LEU  36          HD11      LEU  36   4.777  -4.596  -7.725
  297   2HD1  LEU  36          HD12      LEU  36   3.803  -3.141  -7.454
  298   3HD1  LEU  36          HD13      LEU  36   5.454  -3.001  -8.087
  299   1HD2  LEU  36          HD21      LEU  36   3.907  -3.381  -4.385
  300   2HD2  LEU  36          HD22      LEU  36   3.559  -4.642  -5.566
  301   3HD2  LEU  36          HD23      LEU  36   4.846  -4.888  -4.392
  302    H    GLU  37           H        GLU  37   9.629  -3.649  -6.035
  303    HA   GLU  37           HA       GLU  37  10.703  -6.246  -6.508
  304   1HB   GLU  37          HB2       GLU  37  11.035  -3.744  -7.609
  305   2HB   GLU  37          HB3       GLU  37  12.523  -3.867  -6.668
  306   1HG   GLU  37          HG2       GLU  37  12.945  -6.086  -7.787
  307   2HG   GLU  37          HG3       GLU  37  11.475  -5.825  -8.751
  308    H    GLU  38           H        GLU  38  11.259  -3.825  -4.009
  309    HA   GLU  38           HA       GLU  38  13.747  -4.908  -2.982
  310   1HB   GLU  38          HB2       GLU  38  12.940  -2.512  -2.894
  311   2HB   GLU  38          HB3       GLU  38  11.751  -2.976  -1.672
  312   1HG   GLU  38          HG2       GLU  38  14.652  -3.634  -1.196
  313   2HG   GLU  38          HG3       GLU  38  14.132  -1.955  -1.077
  314    H    HIS  39           HN       HIS  39  10.358  -4.917  -2.119
  315    HA   HIS  39           HA       HIS  39  10.223  -5.647   0.355
  316   1HB   HIS  39          HB2       HIS  39   8.329  -5.159  -1.154
  317   2HB   HIS  39          HB3       HIS  39   8.410  -6.808  -1.791
  318    HD1  HIS  39           HD1      HIS  39   6.459  -8.199  -0.633
  319    HD2  HIS  39           HD2      HIS  39   8.331  -5.314   1.824
  320    HE1  HIS  39           HE1      HIS  39   5.372  -8.328   1.627
  321    HA   PRO  40           HA       PRO  40  12.064  -9.804   0.781
  322   1HB   PRO  40          HB2       PRO  40  10.704  -9.401   3.461
  323   2HB   PRO  40          HB3       PRO  40  12.276 -10.184   3.118
  324   1HG   PRO  40          HG2       PRO  40  12.281  -7.615   3.948
  325   2HG   PRO  40          HG3       PRO  40  13.258  -8.048   2.519
  326   1HD   PRO  40          HD2       PRO  40  10.493  -6.806   2.563
  327   2HD   PRO  40          HD3       PRO  40  11.948  -6.319   1.632
  328    H    GLY  41           H        GLY  41   8.695  -8.997   1.780
  329   1HA   GLY  41          HA1       GLY  41   7.571 -11.644   1.607
  330   2HA   GLY  41          HA2       GLY  41   6.727 -10.153   1.501
  331    H    GLY  42           H        GLY  42   8.818  -9.550  -0.921
  332   1HA   GLY  42          HA1       GLY  42   8.737  -9.670  -3.215
  333   2HA   GLY  42          HA2       GLY  42   7.722 -11.125  -3.090
  334    H    GLU  43           H        GLU  43   7.307  -9.277  -5.029
  335    HA   GLU  43           HA       GLU  43   5.418  -7.236  -4.434
  336   1HB   GLU  43          HB2       GLU  43   6.610  -7.274  -6.517
  337   2HB   GLU  43          HB3       GLU  43   6.006  -8.820  -6.996
  338   1HG   GLU  43          HG2       GLU  43   3.724  -8.158  -7.147
  339   2HG   GLU  43          HG3       GLU  43   4.116  -6.511  -6.625
  340    H    GLU  44           H        GLU  44   4.943 -10.643  -5.470
  341    HA   GLU  44           HA       GLU  44   2.358 -10.799  -5.992
  342   1HB   GLU  44          HB2       GLU  44   3.797 -12.802  -4.192
  343   2HB   GLU  44          HB3       GLU  44   2.336 -13.101  -5.140
  344   1HG   GLU  44          HG2       GLU  44   3.638 -12.519  -7.227
  345   2HG   GLU  44          HG3       GLU  44   5.114 -12.468  -6.242
  346    H    VAL  45           H        VAL  45   3.475 -11.002  -2.584
  347    HA   VAL  45           HA       VAL  45   0.855 -11.226  -1.516
  348    HB   VAL  45           HB       VAL  45   1.783 -11.050   0.620
  349   1HG1  VAL  45          HG11      VAL  45   4.090 -12.088  -1.059
  350   2HG1  VAL  45          HG12      VAL  45   3.663 -12.560   0.585
  351   3HG1  VAL  45          HG13      VAL  45   2.592 -13.011  -0.762
  352   1HG2  VAL  45          HG21      VAL  45   4.117 -10.275   1.065
  353   2HG2  VAL  45          HG22      VAL  45   4.185  -9.630  -0.583
  354   3HG2  VAL  45          HG23      VAL  45   3.017  -8.978   0.595
  355    H    LEU  46           H        LEU  46   2.873  -8.354  -2.159
  356    HA   LEU  46           HA       LEU  46   1.069  -6.393  -0.969
  357   1HB   LEU  46          HB2       LEU  46   3.387  -6.319  -2.935
  358   2HB   LEU  46          HB3       LEU  46   2.305  -4.940  -2.816
  359    HG   LEU  46           HG       LEU  46   2.888  -4.474  -0.605
  360   1HD1  LEU  46          HD11      LEU  46   4.253  -7.172  -0.528
  361   2HD1  LEU  46          HD12      LEU  46   4.404  -5.909   0.725
  362   3HD1  LEU  46          HD13      LEU  46   2.838  -6.668   0.425
  363   1HD2  LEU  46          HD21      LEU  46   5.338  -4.234  -0.656
  364   2HD2  LEU  46          HD22      LEU  46   5.442  -5.424  -1.968
  365   3HD2  LEU  46          HD23      LEU  46   4.641  -3.859  -2.236
  366    H    ARG  47           H        ARG  47   1.505  -7.888  -4.159
  367    HA   ARG  47           HA       ARG  47  -0.130  -5.994  -5.483
  368   1HB   ARG  47          HB2       ARG  47   1.782  -7.386  -6.414
  369   2HB   ARG  47          HB3       ARG  47   0.680  -8.769  -6.451
  370   1HG   ARG  47          HG2       ARG  47   0.701  -7.868  -8.630
  371   2HG   ARG  47          HG3       ARG  47  -0.842  -7.341  -7.938
  372   1HD   ARG  47          HD2       ARG  47   0.246  -5.106  -7.398
  373   2HD   ARG  47          HD3       ARG  47   1.721  -5.657  -8.181
  374    HE   ARG  47           HE       ARG  47  -0.797  -4.759  -9.381
  375   1HH1  ARG  47          HH22      ARG  47   2.236  -6.531 -10.100
  376   2HH1  ARG  47          HH21      ARG  47   1.854  -6.704 -11.775
  377   1HH2  ARG  47          HH11      ARG  47  -1.235  -4.889 -11.445
  378   2HH2  ARG  47          HH12      ARG  47  -0.225  -5.736 -12.618
  379    H    GLU  48           H        GLU  48  -0.671  -9.309  -4.378
  380    HA   GLU  48           HA       GLU  48  -3.298  -9.850  -5.104
  381   1HB   GLU  48          HB2       GLU  48  -1.795 -11.382  -3.938
  382   2HB   GLU  48          HB3       GLU  48  -1.722 -10.312  -2.537
  383   1HG   GLU  48          HG2       GLU  48  -3.146 -12.230  -2.061
  384   2HG   GLU  48          HG3       GLU  48  -4.160 -10.787  -2.102
  385    H    GLN  49           H        GLN  49  -2.112  -7.886  -2.347
  386    HA   GLN  49           HA       GLN  49  -4.835  -7.204  -1.472
  387   1HB   GLN  49          HB2       GLN  49  -2.131  -6.128  -0.589
  388   2HB   GLN  49          HB3       GLN  49  -3.686  -5.927   0.223
  389   1HG   GLN  49          HG2       GLN  49  -2.350  -8.654  -0.195
  390   2HG   GLN  49          HG3       GLN  49  -2.092  -7.630   1.213
  391   1HE2  GLN  49          HE21      GLN  49  -4.793  -9.167  -0.649
  392   2HE2  GLN  49          HE22      GLN  49  -5.753  -9.482   0.784
  393    H    ALA  50           H        ALA  50  -2.277  -5.708  -3.337
  394    HA   ALA  50           HA       ALA  50  -2.778  -3.049  -2.979
  395   1HB   ALA  50          HB1       ALA  50  -1.718  -2.661  -5.171
  396   2HB   ALA  50          HB2       ALA  50  -0.835  -3.856  -4.201
  397   3HB   ALA  50          HB3       ALA  50  -1.875  -4.387  -5.551
  398    H    GLY  51           H        GLY  51  -3.954  -1.450  -3.931
  399   1HA   GLY  51          HA1       GLY  51  -5.999  -0.565  -4.452
  400   2HA   GLY  51          HA2       GLY  51  -6.062  -1.703  -5.804
  401    H    GLY  52           H        GLY  52  -5.630  -2.064  -2.251
  402   1HA   GLY  52          HA1       GLY  52  -8.325  -2.156  -1.496
  403   2HA   GLY  52          HA2       GLY  52  -7.633  -3.809  -1.567
  404    H    ASP  53           H        ASP  53  -8.319  -2.744   0.785
  405    HA   ASP  53           HA       ASP  53  -6.032  -1.615   2.144
  406   1HB   ASP  53          HB2       ASP  53  -7.325  -1.817   4.232
  407   2HB   ASP  53          HB3       ASP  53  -8.236  -0.978   2.974
  408    H    ALA  54           H        ALA  54  -4.483  -2.453   3.232
  409    HA   ALA  54           HA       ALA  54  -4.450  -5.398   3.809
  410   1HB   ALA  54          HB1       ALA  54  -2.975  -4.721   1.845
  411   2HB   ALA  54          HB2       ALA  54  -2.046  -3.726   2.967
  412   3HB   ALA  54          HB3       ALA  54  -2.134  -5.485   3.206
  413    H    THR  55           H        THR  55  -5.315  -3.079   5.416
  414    HA   THR  55           HA       THR  55  -3.238  -2.017   7.002
  415    HB   THR  55           HB       THR  55  -6.191  -2.404   7.713
  416    HG1  THR  55           HG1      THR  55  -5.329  -1.108   5.688
  417   1HG2  THR  55          HG21      THR  55  -4.878  -1.744   9.679
  418   2HG2  THR  55          HG22      THR  55  -4.070  -0.473   8.745
  419   3HG2  THR  55          HG23      THR  55  -5.812  -0.358   9.101
  420    H    GLU  56           H        GLU  56  -5.596  -4.579   7.951
  421    HA   GLU  56           HA       GLU  56  -4.367  -5.239  10.383
  422   1HB   GLU  56          HB2       GLU  56  -6.124  -6.890   8.483
  423   2HB   GLU  56          HB3       GLU  56  -5.786  -7.276  10.173
  424   1HG   GLU  56          HG2       GLU  56  -6.900  -5.230  10.922
  425   2HG   GLU  56          HG3       GLU  56  -7.158  -4.689   9.258
  426    H    ASN  57           H        ASN  57  -4.168  -6.777   7.130
  427    HA   ASN  57           HA       ASN  57  -2.374  -8.795   7.659
  428   1HB   ASN  57          HB2       ASN  57  -3.593  -8.222   5.516
  429   2HB   ASN  57          HB3       ASN  57  -2.313  -7.053   5.155
  430   1HD2  ASN  57          HD21      ASN  57  -2.934  -9.176   3.427
  431   2HD2  ASN  57          HD22      ASN  57  -1.607 -10.335   3.469
  432    H    PHE  58           H        PHE  58  -1.474  -5.423   6.763
  433    HA   PHE  58           HA       PHE  58   1.334  -5.768   6.888
  434   1HB   PHE  58          HB2       PHE  58   0.225  -3.855   5.837
  435   2HB   PHE  58          HB3       PHE  58  -0.399  -3.322   7.389
  436    HD1  PHE  58           HD1      PHE  58   0.889  -1.855   8.779
  437    HD2  PHE  58           HD2      PHE  58   2.836  -4.016   5.601
  438    HE1  PHE  58           HE1      PHE  58   2.843  -0.409   9.009
  439    HE2  PHE  58           HE2      PHE  58   4.826  -2.542   5.831
  440    HZ   PHE  58           HZ       PHE  58   4.834  -0.720   7.508
  441    H    GLU  59           H        GLU  59  -0.907  -4.461   9.408
  442    HA   GLU  59           HA       GLU  59   1.187  -3.988  11.300
  443   1HB   GLU  59          HB2       GLU  59  -1.845  -4.204  11.472
  444   2HB   GLU  59          HB3       GLU  59  -0.854  -3.831  12.878
  445   1HG   GLU  59          HG2       GLU  59  -0.801  -2.198  10.285
  446   2HG   GLU  59          HG3       GLU  59  -1.775  -1.820  11.701
  447    H    ASP  60           H        ASP  60  -1.183  -6.547  11.026
  448    HA   ASP  60           HA       ASP  60  -0.766  -8.349  13.033
  449   1HB   ASP  60          HB2       ASP  60  -2.444  -8.660  11.242
  450   2HB   ASP  60          HB3       ASP  60  -1.162  -8.777  10.047
  451    H    HIS  61           H        HIS  61   1.031  -8.237   9.938
  452    HA   HIS  61           HA       HIS  61   2.919 -10.274  10.628
  453   1HB   HIS  61          HB2       HIS  61   2.899  -8.082   8.544
  454   2HB   HIS  61          HB3       HIS  61   4.201  -9.266   8.678
  455    HD1  HIS  61           HD1      HIS  61   0.657 -10.668   9.228
  456    HD2  HIS  61           HD2      HIS  61   3.634 -10.196   6.272
  457    HE1  HIS  61           HE1      HIS  61   0.037 -12.199   7.308
  458    H    GLY  62           H        GLY  62   2.740  -7.196  12.040
  459   1HA   GLY  62          HA1       GLY  62   4.114  -6.188  13.528
  460   2HA   GLY  62          HA2       GLY  62   5.081  -7.673  13.543
  461    H    HIS  63           HN       HIS  63   4.451  -5.615  10.717
  462    HA   HIS  63           HA       HIS  63   7.057  -5.522   9.769
  463   1HB   HIS  63          HB2       HIS  63   4.645  -3.717   9.432
  464   2HB   HIS  63          HB3       HIS  63   6.189  -3.265   8.717
  465    HD1  HIS  63           HD1      HIS  63   3.486  -5.936   8.316
  466    HD2  HIS  63           HD2      HIS  63   7.104  -4.582   6.662
  467    HE1  HIS  63           HE1      HIS  63   3.700  -7.064   6.049
  468    H    SER  64           H        SER  64   8.886  -4.427  10.203
  469    HA   SER  64           HA       SER  64   9.234  -3.216  12.678
  470   1HB   SER  64          HB2       SER  64  10.940  -2.907  10.164
  471   2HB   SER  64          HB3       SER  64  11.463  -2.543  11.821
  472    HG   SER  64           HG       SER  64  10.714  -5.029  10.690
  473    H    THR  65           H        THR  65   9.840  -1.090  13.285
  474    HA   THR  65           HA       THR  65   8.239   1.130  12.782
  475    HB   THR  65           HB       THR  65  10.668   2.173  13.488
  476    HG1  THR  65           HG1      THR  65  11.894   0.247  13.044
  477   1HG2  THR  65          HG21      THR  65   8.733   1.989  15.013
  478   2HG2  THR  65          HG22      THR  65   9.084   0.263  15.269
  479   3HG2  THR  65          HG23      THR  65  10.232   1.498  15.826
  480    H    ASP  66           H        ASP  66  11.220   0.092  11.190
  481    HA   ASP  66           HA       ASP  66  11.712   2.286   9.608
  482   1HB   ASP  66          HB2       ASP  66  12.405  -0.644   9.083
  483   2HB   ASP  66          HB3       ASP  66  13.308   0.781   8.556
  484    H    ALA  67           H        ALA  67   9.949  -0.717   8.799
  485    HA   ALA  67           HA       ALA  67   9.277  -0.086   6.082
  486   1HB   ALA  67          HB1       ALA  67   7.597  -1.883   6.374
  487   2HB   ALA  67          HB2       ALA  67   9.211  -2.378   6.931
  488   3HB   ALA  67          HB3       ALA  67   7.964  -1.939   8.108
  489    H    ARG  68           H        ARG  68   7.664   0.184   9.240
  490    HA   ARG  68           HA       ARG  68   5.267   1.508   8.536
  491   1HB   ARG  68          HB2       ARG  68   6.939   1.070  10.945
  492   2HB   ARG  68          HB3       ARG  68   5.842   2.409  11.095
  493   1HG   ARG  68          HG2       ARG  68   3.946   0.948  10.582
  494   2HG   ARG  68          HG3       ARG  68   5.037  -0.382  10.111
  495   1HD   ARG  68          HD2       ARG  68   5.842  -0.576  12.396
  496   2HD   ARG  68          HD3       ARG  68   4.803   0.757  12.914
  497    HE   ARG  68           HE       ARG  68   2.852  -0.819  12.001
  498   1HH1  ARG  68          HH22      ARG  68   5.672  -2.501  13.141
  499   2HH1  ARG  68          HH21      ARG  68   4.906  -3.259  14.502
  500   1HH2  ARG  68          HH11      ARG  68   1.726  -1.912  13.707
  501   2HH2  ARG  68          HH12      ARG  68   2.543  -3.176  14.574
  502    H    GLU  69           H        GLU  69   8.466   2.936   9.280
  503    HA   GLU  69           HA       GLU  69   7.771   5.644   8.966
  504   1HB   GLU  69          HB2       GLU  69   9.951   4.487   9.901
  505   2HB   GLU  69          HB3       GLU  69  10.508   4.564   8.233
  506   1HG   GLU  69          HG2       GLU  69  11.323   6.487   9.443
  507   2HG   GLU  69          HG3       GLU  69  10.099   7.058   8.298
  508    H    LEU  70           H        LEU  70   9.224   3.316   6.670
  509    HA   LEU  70           HA       LEU  70   9.160   4.871   4.383
  510   1HB   LEU  70          HB2       LEU  70   9.424   2.030   4.984
  511   2HB   LEU  70          HB3       LEU  70   8.259   2.163   3.737
  512    HG   LEU  70           HG       LEU  70  10.197   1.923   2.543
  513   1HD1  LEU  70          HD11      LEU  70  10.563   4.924   2.723
  514   2HD1  LEU  70          HD12      LEU  70  10.665   3.857   1.322
  515   3HD1  LEU  70          HD13      LEU  70   9.080   4.261   2.020
  516   1HD2  LEU  70          HD21      LEU  70  12.381   2.907   3.155
  517   2HD2  LEU  70          HD22      LEU  70  11.623   3.674   4.573
  518   3HD2  LEU  70          HD23      LEU  70  11.687   1.896   4.442
  519    H    SER  71           H        SER  71   6.516   3.135   5.912
  520    HA   SER  71           HA       SER  71   4.525   3.517   3.882
  521   1HB   SER  71          HB2       SER  71   4.725   2.229   6.394
  522   2HB   SER  71          HB3       SER  71   3.493   3.463   6.643
  523    HG   SER  71           HG       SER  71   2.737   1.408   5.816
  524    H    LYS  72           H        LYS  72   5.592   5.591   6.535
  525    HA   LYS  72           HA       LYS  72   3.651   7.695   6.089
  526   1HB   LYS  72          HB2       LYS  72   6.537   8.191   6.869
  527   2HB   LYS  72          HB3       LYS  72   5.108   9.167   7.197
  528   1HG   LYS  72          HG2       LYS  72   4.208   7.320   8.615
  529   2HG   LYS  72          HG3       LYS  72   5.697   6.404   8.341
  530   1HD   LYS  72          HD2       LYS  72   7.012   8.358   9.168
  531   2HD   LYS  72          HD3       LYS  72   5.512   9.152   9.676
  532   1HE   LYS  72          HE2       LYS  72   5.077   7.427  11.347
  533   2HE   LYS  72          HE3       LYS  72   6.293   6.360  10.627
  534   1HZ   LYS  72          HZ1       LYS  72   7.780   8.460  11.186
  535   2HZ   LYS  72          HZ2       LYS  72   6.783   8.433  12.530
  536   3HZ   LYS  72          HZ3       LYS  72   7.718   7.136  12.001
  537    H    THR  73           H        THR  73   6.928   7.157   4.819
  538    HA   THR  73           HA       THR  73   7.090   9.296   3.046
  539    HB   THR  73           HB       THR  73   8.295   6.579   2.438
  540    HG1  THR  73           HG1      THR  73   9.843   7.114   4.029
  541   1HG2  THR  73          HG21      THR  73  10.244   7.882   1.790
  542   2HG2  THR  73          HG22      THR  73   8.819   8.421   0.876
  543   3HG2  THR  73          HG23      THR  73   9.421   9.394   2.239
  544    H    PHE  74           H        PHE  74   5.604   6.093   2.495
  545    HA   PHE  74           HA       PHE  74   4.947   6.658  -0.293
  546   1HB   PHE  74          HB2       PHE  74   3.865   4.534   1.561
  547   2HB   PHE  74          HB3       PHE  74   3.757   4.532  -0.192
  548    HD1  PHE  74           HD1      PHE  74   5.084   2.591   2.040
  549    HD2  PHE  74           HD2      PHE  74   6.478   5.156  -1.121
  550    HE1  PHE  74           HE1      PHE  74   7.135   1.272   1.876
  551    HE2  PHE  74           HE2      PHE  74   8.616   3.881  -1.189
  552    HZ   PHE  74           HZ       PHE  74   8.983   2.007   0.436
  553    H    ILE  75           H        ILE  75   3.432   7.695   2.617
  554    HA   ILE  75           HA       ILE  75   0.726   7.631   1.824
  555    HB   ILE  75           HB       ILE  75   2.243   9.800   3.332
  556   1HG1  ILE  75          HG12      ILE  75   2.094   7.789   4.606
  557   2HG1  ILE  75          HG13      ILE  75   0.903   8.945   5.235
  558   1HG2  ILE  75          HG21      ILE  75   0.001  10.653   4.075
  559   2HG2  ILE  75          HG22      ILE  75   0.385  11.001   2.397
  560   3HG2  ILE  75          HG23      ILE  75  -0.750   9.693   2.786
  561   1HD1  ILE  75          HD11      ILE  75  -0.136   6.853   5.236
  562   2HD1  ILE  75          HD12      ILE  75  -0.818   7.704   3.823
  563   3HD1  ILE  75          HD13      ILE  75   0.412   6.448   3.600
  564    H    ILE  76           H        ILE  76  -0.502   8.446   0.355
  565    HA   ILE  76           HA       ILE  76   0.344  10.888  -1.179
  566    HB   ILE  76           HB       ILE  76  -0.644   9.628  -3.181
  567   1HG1  ILE  76          HG12      ILE  76   0.045   7.117  -1.626
  568   2HG1  ILE  76          HG13      ILE  76  -1.587   7.795  -1.486
  569   1HG2  ILE  76          HG21      ILE  76   1.756  10.055  -2.936
  570   2HG2  ILE  76          HG22      ILE  76   1.949   8.561  -2.005
  571   3HG2  ILE  76          HG23      ILE  76   1.452   8.489  -3.700
  572   1HD1  ILE  76          HD11      ILE  76  -2.166   7.323  -3.630
  573   2HD1  ILE  76          HD12      ILE  76  -0.497   7.365  -4.241
  574   3HD1  ILE  76          HD13      ILE  76  -1.073   5.982  -3.274
  575    H    GLY  77           H        GLY  77  -2.164   9.527   0.734
  576   1HA   GLY  77          HA1       GLY  77  -4.460  11.087  -0.215
  577   2HA   GLY  77          HA2       GLY  77  -4.252   9.564  -1.062
  578    H    GLU  78           H        GLU  78  -6.471   9.672   0.236
  579    HA   GLU  78           HA       GLU  78  -6.062   7.521   2.122
  580   1HB   GLU  78          HB2       GLU  78  -8.003   9.797   2.610
  581   2HB   GLU  78          HB3       GLU  78  -7.809   8.379   3.659
  582   1HG   GLU  78          HG2       GLU  78  -5.387   9.322   4.039
  583   2HG   GLU  78          HG3       GLU  78  -6.043  10.816   3.397
  584    H    LEU  79           H        LEU  79  -7.956   6.279   2.272
  585    HA   LEU  79           HA       LEU  79  -9.655   5.840   0.001
  586   1HB   LEU  79          HB2       LEU  79  -9.029   4.106   1.657
  587   2HB   LEU  79          HB3       LEU  79  -9.793   5.055   2.938
  588    HG   LEU  79           HG       LEU  79 -12.010   4.833   1.718
  589   1HD1  LEU  79          HD11      LEU  79 -10.369   2.925   0.006
  590   2HD1  LEU  79          HD12      LEU  79 -12.121   2.852   0.158
  591   3HD1  LEU  79          HD13      LEU  79 -11.366   4.295  -0.539
  592   1HD2  LEU  79          HD21      LEU  79 -11.502   3.501   3.634
  593   2HD2  LEU  79          HD22      LEU  79 -12.373   2.574   2.402
  594   3HD2  LEU  79          HD23      LEU  79 -10.628   2.300   2.631
  595    H    HIS  80           H        HIS  80 -11.283   7.085  -0.628
  596    HA   HIS  80           HA       HIS  80 -12.146   9.137   0.834
  597   1HB   HIS  80          HB2       HIS  80 -12.512   8.813  -1.609
  598   2HB   HIS  80          HB3       HIS  80 -13.853   7.710  -1.240
  599    HD1  HIS  80           HD1      HIS  80 -16.166   9.096  -0.663
  600    HD2  HIS  80           HD2      HIS  80 -12.561  11.149  -0.264
  601    HE1  HIS  80           HE1      HIS  80 -16.756  11.399   0.276
  602    HA   PRO  81           HA       PRO  81 -14.161   7.066   3.906
  603   1HB   PRO  81          HB2       PRO  81 -15.608   9.754   4.527
  604   2HB   PRO  81          HB3       PRO  81 -14.801   8.713   5.667
  605   1HG   PRO  81          HG2       PRO  81 -13.608  11.070   4.650
  606   2HG   PRO  81          HG3       PRO  81 -12.576   9.594   4.636
  607   1HD   PRO  81          HD2       PRO  81 -14.421  10.632   2.482
  608   2HD   PRO  81          HD3       PRO  81 -12.688  10.312   2.387
  609    H    ASP  82           H        ASP  82 -16.127   8.603   1.754
  610    HA   ASP  82           HA       ASP  82 -18.649   7.902   2.813
  611   1HB   ASP  82          HB2       ASP  82 -18.328   9.313   0.742
  612   2HB   ASP  82          HB3       ASP  82 -17.724   7.875  -0.123
  613    H    ASP  83           H        ASP  83 -15.981   6.106   1.455
  614    HA   ASP  83           HA       ASP  83 -17.083   3.568   0.986
  615   1HB   ASP  83          HB2       ASP  83 -14.831   4.772   0.475
  616   2HB   ASP  83          HB3       ASP  83 -14.250   4.291   1.982
  617    H    ARG  84           H        ARG  84 -15.278   4.851   3.881
  618    HA   ARG  84           HA       ARG  84 -16.655   3.544   5.941
  619   1HB   ARG  84          HB2       ARG  84 -14.926   1.782   6.380
  620   2HB   ARG  84          HB3       ARG  84 -16.006   1.409   5.031
  621   1HG   ARG  84          HG2       ARG  84 -14.180   2.438   3.549
  622   2HG   ARG  84          HG3       ARG  84 -13.083   2.322   4.894
  623   1HD   ARG  84          HD2       ARG  84 -14.679  -0.043   3.763
  624   2HD   ARG  84          HD3       ARG  84 -13.175   0.536   3.059
  625    HE   ARG  84           HE       ARG  84 -13.049  -0.084   5.931
  626   1HH1  ARG  84          HH22      ARG  84 -12.578  -1.315   2.640
  627   2HH1  ARG  84          HH21      ARG  84 -11.222  -2.339   3.028
  628   1HH2  ARG  84          HH11      ARG  84 -11.370  -1.640   6.525
  629   2HH2  ARG  84          HH12      ARG  84 -10.577  -2.558   5.269
  630    HHA  HEM 201           HGM      HEM 201   9.381  -9.149   5.884
  631    HHB  HEM 201           HDM      HEM 201   9.289  -2.963   4.199
  632    HHC  HEM 201           HAM      HEM 201   3.010  -3.474   2.791
  633    HHD  HEM 201           HBM      HEM 201   3.424  -9.896   3.565
  634   1HMA  HEM 201          HM81      HEM 201  11.634  -3.907   4.239
  635   2HMA  HEM 201          HM82      HEM 201  11.076  -3.413   5.855
  636   3HMA  HEM 201          HM83      HEM 201  12.293  -4.676   5.681
  637   1HAA  HEM 201          HP71      HEM 201  11.423  -8.280   6.205
  638   2HAA  HEM 201          HP72      HEM 201  12.262  -6.679   6.418
  639   1HBA  HEM 201          HP73      HEM 201  11.708  -7.681   8.564
  640   2HBA  HEM 201          HP74      HEM 201   9.935  -7.711   8.091
  641   1HMB  HEM 201          HM11      HEM 201   8.517  -0.950   3.958
  642   2HMB  HEM 201          HM12      HEM 201   7.935  -0.707   2.314
  643   3HMB  HEM 201          HM13      HEM 201   7.034  -0.059   3.713
  644    HAB  HEM 201          HT2A      HEM 201   3.928  -1.589   1.662
  645   1HBB  HEM 201          HV2C      HEM 201   4.850   0.354   3.765
  646   2HBB  HEM 201          HV2T      HEM 201   3.111   0.130   3.059
  647   1HMC  HEM 201          HM31      HEM 201   0.671  -4.601   3.559
  648   2HMC  HEM 201          HM32      HEM 201   1.062  -4.605   1.827
  649   3HMC  HEM 201          HM33      HEM 201   0.052  -5.895   2.514
  650    HAC  HEM 201          HT4A      HEM 201   1.007  -9.123   3.862
  651   1HBC  HEM 201          HV4C      HEM 201   0.509  -7.873   1.118
  652   2HBC  HEM 201          HV4T      HEM 201  -0.080  -9.531   1.738
  653   1HMD  HEM 201          HM51      HEM 201   5.407 -12.430   3.520
  654   2HMD  HEM 201          HM52      HEM 201   5.389 -12.594   5.288
  655   3HMD  HEM 201          HM53      HEM 201   4.040 -11.819   4.473
  656   1HAD  HEM 201          HP61      HEM 201   7.742 -12.515   5.066
  657   2HAD  HEM 201          HP62      HEM 201   9.075 -11.297   5.306
  658   1HBD  HEM 201          HP63      HEM 201   8.090 -10.824   7.587
  659   2HBD  HEM 201          HP64      HEM 201   6.974 -12.253   7.298
  Start of MODEL    7
    1   1H    ALA   3          H1        ALA   3  -4.032  20.461   2.066
    2   2H    ALA   3          H2        ALA   3  -5.546  20.730   1.518
    3   3H    ALA   3          H3        ALA   3  -4.908  21.754   2.662
    4    HA   ALA   3           HA       ALA   3  -4.899  20.078   4.296
    5   1HB   ALA   3          HB1       ALA   3  -7.138  21.135   3.832
    6   2HB   ALA   3          HB2       ALA   3  -7.508  19.798   2.723
    7   3HB   ALA   3          HB3       ALA   3  -7.275  19.491   4.459
    8    H    VAL   4           H        VAL   4  -6.585  17.622   3.995
    9    HA   VAL   4           HA       VAL   4  -4.838  15.762   2.636
   10    HB   VAL   4           HB       VAL   4  -6.715  14.218   2.878
   11   1HG1  VAL   4          HG11      VAL   4  -6.798  14.110   5.294
   12   2HG1  VAL   4          HG12      VAL   4  -5.173  14.577   4.767
   13   3HG1  VAL   4          HG13      VAL   4  -6.278  15.802   5.436
   14   1HG2  VAL   4          HG21      VAL   4  -8.350  16.529   3.980
   15   2HG2  VAL   4          HG22      VAL   4  -8.634  15.636   2.465
   16   3HG2  VAL   4          HG23      VAL   4  -8.777  14.808   4.017
   17    H    LYS   5           H        LYS   5  -5.851  14.446   0.719
   18    HA   LYS   5           HA       LYS   5  -6.868  16.415  -1.344
   19   1HB   LYS   5          HB2       LYS   5  -5.275  13.824  -1.603
   20   2HB   LYS   5          HB3       LYS   5  -6.085  14.642  -2.941
   21   1HG   LYS   5          HG2       LYS   5  -3.820  15.218  -3.065
   22   2HG   LYS   5          HG3       LYS   5  -4.681  16.673  -2.538
   23   1HD   LYS   5          HD2       LYS   5  -3.895  16.397  -0.262
   24   2HD   LYS   5          HD3       LYS   5  -3.318  14.747  -0.598
   25   1HE   LYS   5          HE2       LYS   5  -1.621  15.687  -2.174
   26   2HE   LYS   5          HE3       LYS   5  -2.205  17.323  -1.823
   27   1HZ   LYS   5          HZ1       LYS   5  -0.270  16.778  -0.534
   28   2HZ   LYS   5          HZ2       LYS   5  -1.559  16.976   0.473
   29   3HZ   LYS   5          HZ3       LYS   5  -1.007  15.464   0.126
   30    H    TYR   6           H        TYR   6  -6.878  13.080  -0.194
   31    HA   TYR   6           HA       TYR   6  -8.217  11.476  -0.114
   32   1HB   TYR   6          HB2       TYR   6 -10.716  13.111  -0.665
   33   2HB   TYR   6          HB3       TYR   6 -10.409  11.521   0.094
   34    HD1  TYR   6           HD1      TYR   6  -8.077  12.560   1.865
   35    HD2  TYR   6           HD2      TYR   6 -12.129  13.797   1.289
   36    HE1  TYR   6           HE1      TYR   6  -8.852  11.238   3.755
   37    HE2  TYR   6           HE2      TYR   6 -12.538  13.457   3.697
   38    HH   TYR   6           HH       TYR   6 -11.871  12.174   5.534
   39    H    TYR   7           H        TYR   7  -8.761   9.929  -1.209
   40    HA   TYR   7           HA       TYR   7  -8.611  10.011  -4.135
   41   1HB   TYR   7          HB2       TYR   7  -6.982   9.219  -1.801
   42   2HB   TYR   7          HB3       TYR   7  -7.080   7.977  -2.837
   43    HD1  TYR   7           HD1      TYR   7  -5.974   8.535  -5.280
   44    HD2  TYR   7           HD2      TYR   7  -6.050  11.415  -2.092
   45    HE1  TYR   7           HE1      TYR   7  -3.885   9.594  -6.164
   46    HE2  TYR   7           HE2      TYR   7  -3.962  12.421  -2.942
   47    HH   TYR   7           HH       TYR   7  -2.008  11.505  -3.993
   48    H    THR   8           H        THR   8  -9.906   8.583  -5.077
   49    HA   THR   8           HA       THR   8 -12.030   7.487  -3.378
   50    HB   THR   8           HB       THR   8 -13.122   7.296  -5.721
   51    HG1  THR   8           HG1      THR   8 -10.864   7.433  -6.677
   52   1HG2  THR   8          HG21      THR   8 -13.418   9.741  -5.871
   53   2HG2  THR   8          HG22      THR   8 -13.509   9.209  -4.173
   54   3HG2  THR   8          HG23      THR   8 -12.028   9.990  -4.797
   55    H    LEU   9           H        LEU   9 -12.630   5.270  -3.226
   56    HA   LEU   9           HA       LEU   9 -10.819   3.253  -3.773
   57   1HB   LEU   9          HB2       LEU   9 -12.390   2.824  -2.314
   58   2HB   LEU   9          HB3       LEU   9 -13.789   3.234  -3.325
   59    HG   LEU   9           HG       LEU   9 -11.963   0.854  -3.894
   60   1HD1  LEU   9          HD11      LEU   9 -12.703   0.650  -1.562
   61   2HD1  LEU   9          HD12      LEU   9 -14.391   0.874  -2.068
   62   3HD1  LEU   9          HD13      LEU   9 -13.485  -0.563  -2.587
   63   1HD2  LEU   9          HD21      LEU   9 -14.917   1.425  -4.501
   64   2HD2  LEU   9          HD22      LEU   9 -13.617   1.365  -5.707
   65   3HD2  LEU   9          HD23      LEU   9 -14.091  -0.100  -4.857
   66    H    GLU  10           H        GLU  10 -13.252   4.529  -6.018
   67    HA   GLU  10           HA       GLU  10 -12.992   2.926  -8.221
   68   1HB   GLU  10          HB2       GLU  10 -14.286   5.039  -8.102
   69   2HB   GLU  10          HB3       GLU  10 -12.800   5.985  -8.162
   70   1HG   GLU  10          HG2       GLU  10 -13.884   5.919 -10.349
   71   2HG   GLU  10          HG3       GLU  10 -12.319   5.112 -10.433
   72    H    GLU  11           H        GLU  11 -10.742   5.551  -7.370
   73    HA   GLU  11           HA       GLU  11  -8.723   5.018  -9.380
   74   1HB   GLU  11          HB2       GLU  11  -8.591   6.467  -6.646
   75   2HB   GLU  11          HB3       GLU  11  -7.313   6.427  -7.783
   76   1HG   GLU  11          HG2       GLU  11 -10.027   7.539  -8.591
   77   2HG   GLU  11          HG3       GLU  11  -8.836   8.500  -7.690
   78    H    ILE  12           H        ILE  12  -9.121   4.302  -5.899
   79    HA   ILE  12           HA       ILE  12  -6.497   3.441  -5.752
   80    HB   ILE  12           HB       ILE  12  -8.716   2.682  -3.790
   81   1HG1  ILE  12          HG12      ILE  12  -6.715   4.924  -3.344
   82   2HG1  ILE  12          HG13      ILE  12  -8.160   5.277  -4.271
   83   1HG2  ILE  12          HG21      ILE  12  -6.971   1.316  -3.171
   84   2HG2  ILE  12          HG22      ILE  12  -5.729   2.447  -3.741
   85   3HG2  ILE  12          HG23      ILE  12  -6.575   2.772  -2.236
   86   1HD1  ILE  12          HD11      ILE  12  -8.389   5.801  -1.875
   87   2HD1  ILE  12          HD12      ILE  12  -9.588   4.613  -2.401
   88   3HD1  ILE  12          HD13      ILE  12  -8.180   4.099  -1.460
   89    H    GLN  13           H        GLU  13  -9.383   1.606  -6.487
   90    HA   GLN  13           HA       GLU  13  -8.342  -1.081  -6.126
   91   1HB   GLN  13          HB2       GLU  13 -10.370   0.195  -8.047
   92   2HB   GLN  13          HB3       GLU  13  -9.994  -1.532  -8.118
   93   1HG   GLN  13          HG2       GLU  13 -10.975  -1.853  -5.907
   94   2HG   GLN  13          HG3       GLU  13 -11.355  -0.125  -5.823
   95    H    LYS  14           H        LYS  14  -8.678   1.204  -8.707
   96    HA   LYS  14           HA       LYS  14  -7.702  -0.105 -10.963
   97   1HB   LYS  14          HB2       LYS  14  -8.619   2.493 -10.109
   98   2HB   LYS  14          HB3       LYS  14  -7.098   2.762 -10.782
   99   1HG   LYS  14          HG2       LYS  14  -8.485   3.008 -12.595
  100   2HG   LYS  14          HG3       LYS  14  -8.269   1.259 -12.804
  101   1HD   LYS  14          HD2       LYS  14 -10.537   2.793 -11.435
  102   2HD   LYS  14          HD3       LYS  14 -10.657   1.981 -12.973
  103   1HE   LYS  14          HE2       LYS  14 -11.108  -0.057 -12.054
  104   2HE   LYS  14          HE3       LYS  14  -9.934   0.126 -10.754
  105   1HZ   LYS  14          HZ1       LYS  14 -12.572   1.437 -10.754
  106   2HZ   LYS  14          HZ2       LYS  14 -12.153   0.115  -9.818
  107   3HZ   LYS  14          HZ3       LYS  14 -11.435   1.565  -9.625
  108    H    HIS  15           H        HIS  15  -5.979   1.948  -8.589
  109    HA   HIS  15           HA       HIS  15  -3.334   1.245  -9.639
  110   1HB   HIS  15          HB2       HIS  15  -4.291   2.718  -7.177
  111   2HB   HIS  15          HB3       HIS  15  -2.604   2.261  -7.506
  112    HD1  HIS  15           HD1      HIS  15  -1.272   4.102  -8.509
  113    HD2  HIS  15           HD2      HIS  15  -5.287   4.101  -9.752
  114    HE1  HIS  15           HE1      HIS  15  -1.516   5.996 -10.225
  115    H    ASN  16           H        ASN  16  -4.231  -1.039  -9.554
  116    HA   ASN  16           HA       ASN  16  -2.799  -2.347  -7.258
  117   1HB   ASN  16          HB2       ASN  16  -3.955  -4.404  -7.678
  118   2HB   ASN  16          HB3       ASN  16  -5.189  -3.159  -7.534
  119   1HD2  ASN  16          HD21      ASN  16  -6.392  -2.586  -9.421
  120   2HD2  ASN  16          HD22      ASN  16  -6.325  -3.523 -10.911
  121    H    ASN  17           H        ASN  17  -2.437  -1.341 -10.373
  122    HA   ASN  17           HA       ASN  17  -1.688  -4.017 -11.391
  123   1HB   ASN  17          HB2       ASN  17  -3.906  -2.654 -11.883
  124   2HB   ASN  17          HB3       ASN  17  -2.899  -1.760 -13.008
  125   1HD2  ASN  17          HD21      ASN  17  -4.028  -5.024 -12.044
  126   2HD2  ASN  17          HD22      ASN  17  -3.861  -5.746 -13.643
  127    H    SER  18           H        SER  18  -1.183  -2.821 -14.054
  128    HA   SER  18           HA       SER  18   1.742  -2.440 -13.751
  129   1HB   SER  18          HB2       SER  18   0.967  -4.058 -15.418
  130   2HB   SER  18          HB3       SER  18  -0.078  -2.836 -16.172
  131    HG   SER  18           HG       SER  18   1.813  -1.623 -16.608
  132    H    LYS  19           H        LYS  19   0.765  -0.478 -12.539
  133    HA   LYS  19           HA       LYS  19   0.599   1.982 -14.145
  134   1HB   LYS  19          HB2       LYS  19  -1.694   0.765 -12.495
  135   2HB   LYS  19          HB3       LYS  19  -1.649   2.440 -13.014
  136   1HG   LYS  19          HG2       LYS  19  -1.812   0.014 -14.840
  137   2HG   LYS  19          HG3       LYS  19  -3.118   1.114 -14.408
  138   1HD   LYS  19          HD2       LYS  19  -1.927   3.005 -15.478
  139   2HD   LYS  19          HD3       LYS  19  -0.604   1.916 -15.945
  140   1HE   LYS  19          HE2       LYS  19  -2.211   0.511 -17.235
  141   2HE   LYS  19          HE3       LYS  19  -3.497   1.677 -16.870
  142   1HZ   LYS  19          HZ1       LYS  19  -2.197   3.345 -18.030
  143   2HZ   LYS  19          HZ2       LYS  19  -1.015   2.245 -18.360
  144   3HZ   LYS  19          HZ3       LYS  19  -2.512   2.066 -19.015
  145    H    SER  20           H        SER  20  -0.324   0.720 -10.832
  146    HA   SER  20           HA       SER  20   2.043   1.248  -9.707
  147   1HB   SER  20          HB2       SER  20   2.099   3.384  -8.983
  148   2HB   SER  20          HB3       SER  20   0.712   3.750  -9.997
  149    HG   SER  20           HG       SER  20   0.860   3.798  -7.393
  150    H    THR  21           H        THR  21   1.789   0.894  -7.399
  151    HA   THR  21           HA       THR  21  -0.397  -1.054  -6.795
  152    HB   THR  21           HB       THR  21   2.405  -0.979  -5.598
  153    HG1  THR  21           HG1      THR  21   2.971  -2.429  -7.131
  154   1HG2  THR  21          HG21      THR  21   0.290  -3.163  -5.931
  155   2HG2  THR  21          HG22      THR  21   1.887  -3.405  -5.219
  156   3HG2  THR  21          HG23      THR  21   0.731  -2.345  -4.408
  157    H    TRP  22           H        TRP  22  -1.865   0.215  -5.660
  158    HA   TRP  22           HA       TRP  22  -0.974   1.856  -3.353
  159   1HB   TRP  22          HB2       TRP  22  -3.438   1.730  -5.051
  160   2HB   TRP  22          HB3       TRP  22  -3.477   2.464  -3.489
  161    HD1  TRP  22           HD1      TRP  22  -0.182   3.089  -5.153
  162    HE1  TRP  22           HE1      TRP  22  -0.028   5.273  -6.284
  163    HE3  TRP  22           HE3      TRP  22  -5.027   4.440  -4.639
  164    HZ2  TRP  22           HZ2      TRP  22  -2.004   7.298  -7.336
  165    HZ3  TRP  22           HZ3      TRP  22  -5.967   6.326  -5.945
  166    HH2  TRP  22           HH2      TRP  22  -4.494   7.677  -7.405
  167    H    LEU  23           H        LEU  23  -1.935   1.564  -1.272
  168    HA   LEU  23           HA       LEU  23  -3.993  -0.458  -0.953
  169   1HB   LEU  23          HB2       LEU  23  -2.397  -1.314   1.128
  170   2HB   LEU  23          HB3       LEU  23  -2.725  -2.121  -0.345
  171    HG   LEU  23           HG       LEU  23  -0.594  -1.156  -1.343
  172   1HD1  LEU  23          HD11      LEU  23   1.095  -0.422   0.242
  173   2HD1  LEU  23          HD12      LEU  23  -0.324   0.619   0.323
  174   3HD1  LEU  23          HD13      LEU  23  -0.038  -0.588   1.599
  175   1HD2  LEU  23          HD21      LEU  23   0.772  -2.835  -0.103
  176   2HD2  LEU  23          HD22      LEU  23  -0.557  -3.017   1.057
  177   3HD2  LEU  23          HD23      LEU  23  -0.788  -3.485  -0.643
  178    H    ILE  24           H        ILE  24  -4.856  -0.490   1.266
  179    HA   ILE  24           HA       ILE  24  -4.583   2.229   2.477
  180    HB   ILE  24           HB       ILE  24  -6.849   0.536   3.377
  181   1HG1  ILE  24          HG12      ILE  24  -6.910   0.074   0.914
  182   2HG1  ILE  24          HG13      ILE  24  -8.322   0.799   1.632
  183   1HG2  ILE  24          HG21      ILE  24  -8.052   2.600   3.409
  184   2HG2  ILE  24          HG22      ILE  24  -6.499   2.719   4.257
  185   3HG2  ILE  24          HG23      ILE  24  -6.684   3.451   2.655
  186   1HD1  ILE  24          HD11      ILE  24  -6.165   2.236   0.032
  187   2HD1  ILE  24          HD12      ILE  24  -7.771   1.748  -0.562
  188   3HD1  ILE  24          HD13      ILE  24  -7.640   3.006   0.676
  189    H    LEU  25           H        LEU  25  -3.600   2.470   4.266
  190    HA   LEU  25           HA       LEU  25  -3.366   0.235   6.253
  191   1HB   LEU  25          HB2       LEU  25  -1.271   1.900   4.993
  192   2HB   LEU  25          HB3       LEU  25  -1.096   1.490   6.700
  193    HG   LEU  25           HG       LEU  25  -1.120  -0.882   6.175
  194   1HD1  LEU  25          HD11      LEU  25  -1.542   0.016   3.309
  195   2HD1  LEU  25          HD12      LEU  25  -0.788  -1.546   3.713
  196   3HD1  LEU  25          HD13      LEU  25  -2.422  -1.219   4.250
  197   1HD2  LEU  25          HD21      LEU  25   1.056  -0.952   4.983
  198   2HD2  LEU  25          HD22      LEU  25   0.797   0.715   4.424
  199   3HD2  LEU  25          HD23      LEU  25   1.020   0.382   6.155
  200    H    HIS  26           H        HIS  26  -5.094   1.098   7.413
  201    HA   HIS  26           HA       HIS  26  -6.080   2.359   9.016
  202   1HB   HIS  26          HB2       HIS  26  -3.640   4.161   9.213
  203   2HB   HIS  26          HB3       HIS  26  -4.885   3.856  10.410
  204    HD1  HIS  26           HD1      HIS  26  -4.571   1.628  11.898
  205    HD2  HIS  26           HD2      HIS  26  -1.626   2.379   8.978
  206    HE1  HIS  26           HE1      HIS  26  -2.588   0.124  12.445
  207    H    TYR  27           H        TYR  27  -6.949   2.772   6.622
  208    HA   TYR  27           HA       TYR  27  -8.294   4.090   5.429
  209   1HB   TYR  27          HB2       TYR  27  -8.008   6.110   7.670
  210   2HB   TYR  27          HB3       TYR  27  -9.191   6.149   6.375
  211    HD1  TYR  27           HD1      TYR  27  -8.147   4.334   9.450
  212    HD2  TYR  27           HD2      TYR  27 -11.142   4.681   6.360
  213    HE1  TYR  27           HE1      TYR  27  -9.521   2.625  10.587
  214    HE2  TYR  27           HE2      TYR  27 -12.543   3.021   7.559
  215    HH   TYR  27           HH       TYR  27 -11.468   1.372  10.521
  216    H    LYS  28           H        LYS  28  -5.236   5.633   6.301
  217    HA   LYS  28           HA       LYS  28  -5.220   7.399   3.978
  218   1HB   LYS  28          HB2       LYS  28  -3.322   6.567   6.131
  219   2HB   LYS  28          HB3       LYS  28  -2.632   6.987   4.568
  220   1HG   LYS  28          HG2       LYS  28  -2.760   8.909   6.136
  221   2HG   LYS  28          HG3       LYS  28  -3.555   9.169   4.580
  222   1HD   LYS  28          HD2       LYS  28  -5.769   8.735   5.613
  223   2HD   LYS  28          HD3       LYS  28  -4.990   8.387   7.167
  224   1HE   LYS  28          HE2       LYS  28  -4.251  10.692   7.380
  225   2HE   LYS  28          HE3       LYS  28  -4.647  11.049   5.693
  226   1HZ   LYS  28          HZ1       LYS  28  -6.629  10.415   7.774
  227   2HZ   LYS  28          HZ2       LYS  28  -6.296  11.913   7.177
  228   3HZ   LYS  28          HZ3       LYS  28  -6.955  10.773   6.199
  229    H    VAL  29           H        VAL  29  -3.711   7.117   2.175
  230    HA   VAL  29           HA       VAL  29  -3.792   4.343   1.107
  231    HB   VAL  29           HB       VAL  29  -4.246   7.008  -0.249
  232   1HG1  VAL  29          HG11      VAL  29  -4.025   4.272  -1.538
  233   2HG1  VAL  29          HG12      VAL  29  -4.597   5.776  -2.304
  234   3HG1  VAL  29          HG13      VAL  29  -2.915   5.639  -1.781
  235   1HG2  VAL  29          HG21      VAL  29  -6.162   5.794   1.002
  236   2HG2  VAL  29          HG22      VAL  29  -6.421   6.134  -0.726
  237   3HG2  VAL  29          HG23      VAL  29  -5.947   4.506  -0.199
  238    H    TYR  30           H        TYR  30  -2.022   3.532   0.216
  239    HA   TYR  30           HA       TYR  30   0.564   4.958   0.635
  240   1HB   TYR  30          HB2       TYR  30  -0.676   2.328   1.451
  241   2HB   TYR  30          HB3       TYR  30   1.038   2.424   1.430
  242    HD1  TYR  30           HD1      TYR  30  -2.174   3.585   2.790
  243    HD2  TYR  30           HD2      TYR  30   2.076   3.758   3.375
  244    HE1  TYR  30           HE1      TYR  30  -2.522   4.576   5.017
  245    HE2  TYR  30           HE2      TYR  30   1.687   4.638   5.698
  246    HH   TYR  30           HH       TYR  30  -1.547   4.523   7.090
  247    H    ASP  31           H        ASP  31   1.894   4.833  -1.218
  248    HA   ASP  31           HA       ASP  31   1.204   2.830  -3.337
  249   1HB   ASP  31          HB2       ASP  31   1.217   5.300  -3.960
  250   2HB   ASP  31          HB3       ASP  31   2.966   5.275  -3.609
  251    H    LEU  32           H        LEU  32   2.740   1.261  -3.754
  252    HA   LEU  32           HA       LEU  32   5.496   1.813  -2.752
  253   1HB   LEU  32          HB2       LEU  32   4.808  -1.040  -2.560
  254   2HB   LEU  32          HB3       LEU  32   5.690   0.100  -1.534
  255    HG   LEU  32           HG       LEU  32   2.711  -0.254  -1.587
  256   1HD1  LEU  32          HD11      LEU  32   3.026  -1.641   0.432
  257   2HD1  LEU  32          HD12      LEU  32   4.049  -2.275  -0.857
  258   3HD1  LEU  32          HD13      LEU  32   4.774  -1.294   0.417
  259   1HD2  LEU  32          HD21      LEU  32   4.450   1.652  -0.256
  260   2HD2  LEU  32          HD22      LEU  32   2.668   1.634  -0.340
  261   3HD2  LEU  32          HD23      LEU  32   3.499   0.747   0.942
  262    H    THR  33           H        THR  33   4.316   1.878  -5.360
  263    HA   THR  33           HA       THR  33   5.002  -0.398  -6.969
  264    HB   THR  33           HB       THR  33   5.235   2.513  -7.901
  265    HG1  THR  33           HG1      THR  33   3.308   2.373  -6.884
  266   1HG2  THR  33          HG21      THR  33   4.329  -0.029  -9.337
  267   2HG2  THR  33          HG22      THR  33   4.414   1.602 -10.037
  268   3HG2  THR  33          HG23      THR  33   5.901   0.766  -9.568
  269    H    LYS  34           H        LYS  34   7.191   2.363  -6.168
  270    HA   LYS  34           HA       LYS  34   9.387   1.098  -7.589
  271   1HB   LYS  34          HB2       LYS  34   9.192   3.534  -7.121
  272   2HB   LYS  34          HB3       LYS  34   9.500   3.235  -5.405
  273   1HG   LYS  34          HG2       LYS  34  11.437   2.148  -7.462
  274   2HG   LYS  34          HG3       LYS  34  11.421   3.889  -7.177
  275   1HD   LYS  34          HD2       LYS  34  11.982   3.649  -4.857
  276   2HD   LYS  34          HD3       LYS  34  11.770   1.895  -4.892
  277   1HE   LYS  34          HE2       LYS  34  13.609   1.676  -6.544
  278   2HE   LYS  34          HE3       LYS  34  13.890   3.428  -6.467
  279   1HZ   LYS  34          HZ1       LYS  34  14.421   3.136  -4.117
  280   2HZ   LYS  34          HZ2       LYS  34  14.078   1.561  -4.184
  281   3HZ   LYS  34          HZ3       LYS  34  15.369   2.130  -5.021
  282    H    PHE  35           H        PHE  35   7.907   0.577  -4.488
  283    HA   PHE  35           HA       PHE  35  10.339  -0.366  -3.162
  284   1HB   PHE  35          HB2       PHE  35   8.397   0.848  -1.986
  285   2HB   PHE  35          HB3       PHE  35   7.444  -0.617  -2.315
  286    HD1  PHE  35           HD1      PHE  35  10.911   0.067  -0.932
  287    HD2  PHE  35           HD2      PHE  35   7.104  -1.930  -0.461
  288    HE1  PHE  35           HE1      PHE  35  11.793  -1.154   1.004
  289    HE2  PHE  35           HE2      PHE  35   7.946  -3.054   1.524
  290    HZ   PHE  35           HZ       PHE  35  10.342  -2.761   2.240
  291    H    LEU  36           H        LEU  36   7.616  -1.630  -4.992
  292    HA   LEU  36           HA       LEU  36   7.647  -4.356  -4.549
  293   1HB   LEU  36          HB2       LEU  36   7.752  -2.905  -7.238
  294   2HB   LEU  36          HB3       LEU  36   7.238  -4.547  -7.015
  295    HG   LEU  36           HG       LEU  36   5.765  -2.149  -6.056
  296   1HD1  LEU  36          HD11      LEU  36   4.698  -2.441  -8.039
  297   2HD1  LEU  36          HD12      LEU  36   5.716  -3.813  -8.427
  298   3HD1  LEU  36          HD13      LEU  36   4.218  -4.092  -7.534
  299   1HD2  LEU  36          HD21      LEU  36   5.133  -5.048  -5.472
  300   2HD2  LEU  36          HD22      LEU  36   5.573  -3.780  -4.296
  301   3HD2  LEU  36          HD23      LEU  36   4.057  -3.679  -5.182
  302    H    GLU  37           H        GLU  37  10.164  -2.543  -6.315
  303    HA   GLU  37           HA       GLU  37  11.840  -4.639  -7.120
  304   1HB   GLU  37          HB2       GLU  37  12.520  -1.867  -6.046
  305   2HB   GLU  37          HB3       GLU  37  13.639  -2.899  -6.930
  306   1HG   GLU  37          HG2       GLU  37  10.992  -1.969  -8.154
  307   2HG   GLU  37          HG3       GLU  37  12.495  -1.052  -8.257
  308    H    GLU  38           H        GLU  38  11.560  -3.046  -3.955
  309    HA   GLU  38           HA       GLU  38  14.032  -4.259  -2.918
  310   1HB   GLU  38          HB2       GLU  38  12.046  -2.321  -1.667
  311   2HB   GLU  38          HB3       GLU  38  13.654  -2.713  -1.056
  312   1HG   GLU  38          HG2       GLU  38  14.685  -1.680  -3.042
  313   2HG   GLU  38          HG3       GLU  38  13.085  -1.345  -3.731
  314    H    HIS  39           HN       HIS  39  10.545  -4.305  -2.313
  315    HA   HIS  39           HA       HIS  39  10.377  -4.998   0.246
  316   1HB   HIS  39          HB2       HIS  39   8.489  -4.456  -1.204
  317   2HB   HIS  39          HB3       HIS  39   8.589  -6.046  -1.966
  318    HD1  HIS  39           HD1      HIS  39   6.405  -7.207  -1.106
  319    HD2  HIS  39           HD2      HIS  39   8.588  -5.154   1.854
  320    HE1  HIS  39           HE1      HIS  39   5.108  -7.448   1.056
  321    HA   PRO  40           HA       PRO  40  12.191  -9.188   0.544
  322   1HB   PRO  40          HB2       PRO  40  10.895  -8.852   3.258
  323   2HB   PRO  40          HB3       PRO  40  12.461  -9.613   2.862
  324   1HG   PRO  40          HG2       PRO  40  12.444  -7.074   3.786
  325   2HG   PRO  40          HG3       PRO  40  13.432  -7.460   2.347
  326   1HD   PRO  40          HD2       PRO  40  10.674  -6.217   2.422
  327   2HD   PRO  40          HD3       PRO  40  12.120  -5.706   1.495
  328    H    GLY  41           H        GLY  41   8.851  -8.309   1.566
  329   1HA   GLY  41          HA1       GLY  41   7.692 -10.924   1.424
  330   2HA   GLY  41          HA2       GLY  41   6.856  -9.395   1.282
  331    H    GLY  42           H        GLY  42   8.900  -8.867  -1.138
  332   1HA   GLY  42          HA1       GLY  42   8.909  -9.162  -3.402
  333   2HA   GLY  42          HA2       GLY  42   7.926 -10.631  -3.218
  334    H    GLU  43           H        GLU  43   7.392  -9.189  -5.311
  335    HA   GLU  43           HA       GLU  43   5.479  -7.073  -4.817
  336   1HB   GLU  43          HB2       GLU  43   6.837  -6.686  -6.631
  337   2HB   GLU  43          HB3       GLU  43   6.704  -8.274  -7.317
  338   1HG   GLU  43          HG2       GLU  43   4.447  -7.997  -8.002
  339   2HG   GLU  43          HG3       GLU  43   4.312  -6.423  -7.188
  340    H    GLU  44           H        GLU  44   5.258 -10.433  -6.054
  341    HA   GLU  44           HA       GLU  44   2.738 -10.585  -6.937
  342   1HB   GLU  44          HB2       GLU  44   4.066 -12.653  -5.124
  343   2HB   GLU  44          HB3       GLU  44   2.696 -12.944  -6.204
  344   1HG   GLU  44          HG2       GLU  44   4.106 -12.284  -8.156
  345   2HG   GLU  44          HG3       GLU  44   5.504 -12.100  -7.079
  346    H    VAL  45           H        VAL  45   3.462 -11.084  -3.453
  347    HA   VAL  45           HA       VAL  45   0.722 -11.256  -2.681
  348    HB   VAL  45           HB       VAL  45   2.658 -12.219  -1.502
  349   1HG1  VAL  45          HG11      VAL  45   3.208  -9.431  -0.414
  350   2HG1  VAL  45          HG12      VAL  45   4.024 -10.937   0.018
  351   3HG1  VAL  45          HG13      VAL  45   4.207 -10.267  -1.612
  352   1HG2  VAL  45          HG21      VAL  45   0.487 -12.059  -0.401
  353   2HG2  VAL  45          HG22      VAL  45   1.817 -11.886   0.760
  354   3HG2  VAL  45          HG23      VAL  45   0.908 -10.462   0.234
  355    H    LEU  46           H        LEU  46   2.879  -8.422  -3.056
  356    HA   LEU  46           HA       LEU  46   1.061  -6.572  -1.692
  357   1HB   LEU  46          HB2       LEU  46   3.399  -6.203  -3.604
  358   2HB   LEU  46          HB3       LEU  46   2.382  -4.865  -3.087
  359    HG   LEU  46           HG       LEU  46   3.886  -6.646  -1.125
  360   1HD1  LEU  46          HD11      LEU  46   5.492  -5.467  -2.567
  361   2HD1  LEU  46          HD12      LEU  46   4.588  -3.949  -2.353
  362   3HD1  LEU  46          HD13      LEU  46   5.445  -4.657  -0.986
  363   1HD2  LEU  46          HD21      LEU  46   1.978  -5.380  -0.102
  364   2HD2  LEU  46          HD22      LEU  46   3.514  -4.648   0.369
  365   3HD2  LEU  46          HD23      LEU  46   2.531  -3.919  -0.915
  366    H    ARG  47           H        ARG  47   1.575  -7.761  -4.961
  367    HA   ARG  47           HA       ARG  47  -0.183  -5.965  -6.350
  368   1HB   ARG  47          HB2       ARG  47   1.248  -8.540  -6.818
  369   2HB   ARG  47          HB3       ARG  47  -0.153  -8.267  -7.878
  370   1HG   ARG  47          HG2       ARG  47   1.975  -6.161  -7.437
  371   2HG   ARG  47          HG3       ARG  47   2.344  -7.596  -8.409
  372   1HD   ARG  47          HD2       ARG  47   0.625  -7.173  -9.988
  373   2HD   ARG  47          HD3       ARG  47  -0.008  -5.825  -9.047
  374    HE   ARG  47           HE       ARG  47   2.782  -6.002 -10.214
  375   1HH1  ARG  47          HH22      ARG  47   0.186  -3.841  -9.072
  376   2HH1  ARG  47          HH21      ARG  47   1.363  -2.594  -8.744
  377   1HH2  ARG  47          HH11      ARG  47   4.024  -4.383 -10.164
  378   2HH2  ARG  47          HH12      ARG  47   3.473  -2.711  -9.961
  379    H    GLU  48           H        GLU  48  -0.546  -9.250  -5.073
  380    HA   GLU  48           HA       GLU  48  -3.252  -9.745  -5.520
  381   1HB   GLU  48          HB2       GLU  48  -1.532 -11.348  -4.764
  382   2HB   GLU  48          HB3       GLU  48  -1.402 -10.475  -3.239
  383   1HG   GLU  48          HG2       GLU  48  -3.813 -11.126  -2.771
  384   2HG   GLU  48          HG3       GLU  48  -3.785 -12.089  -4.257
  385    H    GLN  49           H        GLN  49  -1.751  -8.166  -2.615
  386    HA   GLN  49           HA       GLN  49  -4.329  -7.756  -1.322
  387   1HB   GLN  49          HB2       GLN  49  -1.449  -7.047  -0.772
  388   2HB   GLN  49          HB3       GLN  49  -2.686  -6.055  -0.031
  389   1HG   GLN  49          HG2       GLN  49  -2.174  -7.607   1.560
  390   2HG   GLN  49          HG3       GLN  49  -3.771  -8.060   0.966
  391   1HE2  GLN  49          HE21      GLN  49  -3.311  -9.689  -1.186
  392   2HE2  GLN  49          HE22      GLN  49  -2.327 -11.069  -0.755
  393    H    ALA  50           H        ALA  50  -2.271  -5.828  -3.372
  394    HA   ALA  50           HA       ALA  50  -3.033  -3.301  -2.589
  395   1HB   ALA  50          HB1       ALA  50  -1.118  -3.606  -3.959
  396   2HB   ALA  50          HB2       ALA  50  -2.074  -4.290  -5.304
  397   3HB   ALA  50          HB3       ALA  50  -2.205  -2.572  -4.892
  398    H    GLY  51           H        GLY  51  -4.132  -1.596  -3.789
  399   1HA   GLY  51          HA1       GLY  51  -6.185  -0.648  -4.222
  400   2HA   GLY  51          HA2       GLY  51  -6.305  -1.815  -5.526
  401    H    GLY  52           H        GLY  52  -5.969  -2.017  -1.944
  402   1HA   GLY  52          HA1       GLY  52  -8.641  -1.910  -1.270
  403   2HA   GLY  52          HA2       GLY  52  -8.143  -3.634  -1.298
  404    H    ASP  53           H        ASP  53  -8.815  -2.483   0.970
  405    HA   ASP  53           HA       ASP  53  -6.875  -1.449   2.692
  406   1HB   ASP  53          HB2       ASP  53  -9.145  -3.378   3.304
  407   2HB   ASP  53          HB3       ASP  53  -8.195  -2.531   4.528
  408    H    ALA  54           H        ALA  54  -4.985  -2.131   3.363
  409    HA   ALA  54           HA       ALA  54  -4.563  -5.077   3.827
  410   1HB   ALA  54          HB1       ALA  54  -3.423  -4.358   1.732
  411   2HB   ALA  54          HB2       ALA  54  -2.506  -3.162   2.674
  412   3HB   ALA  54          HB3       ALA  54  -2.301  -4.899   2.995
  413    H    THR  55           H        THR  55  -5.389  -2.754   5.550
  414    HA   THR  55           HA       THR  55  -3.192  -1.840   7.079
  415    HB   THR  55           HB       THR  55  -6.105  -2.149   7.966
  416    HG1  THR  55           HG1      THR  55  -5.327  -0.813   5.928
  417   1HG2  THR  55          HG21      THR  55  -3.846  -0.307   8.862
  418   2HG2  THR  55          HG22      THR  55  -5.545  -0.165   9.378
  419   3HG2  THR  55          HG23      THR  55  -4.596  -1.589   9.831
  420    H    GLU  56           H        GLU  56  -5.625  -4.358   7.969
  421    HA   GLU  56           HA       GLU  56  -4.432  -5.164  10.357
  422   1HB   GLU  56          HB2       GLU  56  -6.130  -6.748   8.348
  423   2HB   GLU  56          HB3       GLU  56  -5.835  -7.193  10.033
  424   1HG   GLU  56          HG2       GLU  56  -6.975  -5.159  10.811
  425   2HG   GLU  56          HG3       GLU  56  -7.245  -4.617   9.146
  426    H    ASN  57           H        ASN  57  -4.254  -6.686   7.112
  427    HA   ASN  57           HA       ASN  57  -2.343  -8.613   7.433
  428   1HB   ASN  57          HB2       ASN  57  -3.544  -8.052   5.364
  429   2HB   ASN  57          HB3       ASN  57  -2.571  -6.597   5.159
  430   1HD2  ASN  57          HD21      ASN  57  -2.937  -9.492   3.839
  431   2HD2  ASN  57          HD22      ASN  57  -1.307  -9.768   3.284
  432    H    PHE  58           H        PHE  58  -1.501  -5.174   6.638
  433    HA   PHE  58           HA       PHE  58   1.281  -5.514   6.747
  434   1HB   PHE  58          HB2       PHE  58   0.196  -3.540   5.815
  435   2HB   PHE  58          HB3       PHE  58  -0.441  -3.095   7.393
  436    HD1  PHE  58           HD1      PHE  58   2.872  -3.850   5.761
  437    HD2  PHE  58           HD2      PHE  58   0.762  -1.553   8.734
  438    HE1  PHE  58           HE1      PHE  58   4.905  -2.476   6.155
  439    HE2  PHE  58           HE2      PHE  58   2.769  -0.191   9.116
  440    HZ   PHE  58           HZ       PHE  58   4.853  -0.623   7.800
  441    H    GLU  59           H        GLU  59  -0.924  -4.434   9.378
  442    HA   GLU  59           HA       GLU  59   1.164  -4.034  11.299
  443   1HB   GLU  59          HB2       GLU  59  -1.860  -4.401  11.488
  444   2HB   GLU  59          HB3       GLU  59  -0.853  -3.986  12.873
  445   1HG   GLU  59          HG2       GLU  59  -0.983  -2.315  10.302
  446   2HG   GLU  59          HG3       GLU  59  -1.950  -2.026  11.747
  447    H    ASP  60           H        ASP  60  -1.290  -6.532  11.049
  448    HA   ASP  60           HA       ASP  60  -0.790  -8.497  12.814
  449   1HB   ASP  60          HB2       ASP  60  -2.567  -8.612  11.097
  450   2HB   ASP  60          HB3       ASP  60  -1.353  -8.707   9.833
  451    H    HIS  61           H        HIS  61   0.857  -8.248   9.634
  452    HA   HIS  61           HA       HIS  61   2.597 -10.456  10.069
  453   1HB   HIS  61          HB2       HIS  61   2.740  -8.092   8.186
  454   2HB   HIS  61          HB3       HIS  61   3.883  -9.440   8.142
  455    HD1  HIS  61           HD1      HIS  61   0.332 -10.621   8.820
  456    HD2  HIS  61           HD2      HIS  61   2.933  -9.804   5.591
  457    HE1  HIS  61           HE1      HIS  61  -0.640 -11.765   6.781
  458    H    GLY  62           H        GLY  62   2.772  -7.467  11.693
  459   1HA   GLY  62          HA1       GLY  62   4.246  -6.829  13.295
  460   2HA   GLY  62          HA2       GLY  62   5.150  -8.329  13.032
  461    H    HIS  63           HN       HIS  63   4.439  -5.832  10.606
  462    HA   HIS  63           HA       HIS  63   7.064  -5.685   9.614
  463   1HB   HIS  63          HB2       HIS  63   4.609  -3.913   9.418
  464   2HB   HIS  63          HB3       HIS  63   6.138  -3.391   8.721
  465    HD1  HIS  63           HD1      HIS  63   3.455  -6.032   8.139
  466    HD2  HIS  63           HD2      HIS  63   7.075  -4.567   6.609
  467    HE1  HIS  63           HE1      HIS  63   3.684  -7.013   5.797
  468    H    SER  64           H        SER  64   8.767  -4.225   9.844
  469    HA   SER  64           HA       SER  64   9.335  -3.490  12.507
  470   1HB   SER  64          HB2       SER  64  11.326  -2.330  11.450
  471   2HB   SER  64          HB3       SER  64  11.089  -4.005  10.932
  472    HG   SER  64           HG       SER  64  10.758  -3.366   8.997
  473    H    THR  65           H        THR  65   9.857  -1.381  13.392
  474    HA   THR  65           HA       THR  65   8.118   0.849  13.153
  475    HB   THR  65           HB       THR  65  10.515   1.847  13.989
  476    HG1  THR  65           HG1      THR  65  11.793   0.004  13.403
  477   1HG2  THR  65          HG21      THR  65  10.060   0.952  16.250
  478   2HG2  THR  65          HG22      THR  65   8.563   1.492  15.464
  479   3HG2  THR  65          HG23      THR  65   8.941  -0.244  15.564
  480    H    ASP  66           H        ASP  66  11.136  -0.067  11.547
  481    HA   ASP  66           HA       ASP  66  11.583   2.220  10.059
  482   1HB   ASP  66          HB2       ASP  66  12.386  -0.655   9.422
  483   2HB   ASP  66          HB3       ASP  66  13.242   0.825   8.977
  484    H    ALA  67           H        ALA  67   9.873  -0.834   9.180
  485    HA   ALA  67           HA       ALA  67   9.208  -0.083   6.549
  486   1HB   ALA  67          HB1       ALA  67   9.073  -2.401   7.258
  487   2HB   ALA  67          HB2       ALA  67   7.887  -1.997   8.507
  488   3HB   ALA  67          HB3       ALA  67   7.439  -1.881   6.798
  489    H    ARG  68           H        ARG  68   7.559   0.222   9.662
  490    HA   ARG  68           HA       ARG  68   5.189   1.589   8.964
  491   1HB   ARG  68          HB2       ARG  68   6.861   1.091  11.326
  492   2HB   ARG  68          HB3       ARG  68   6.116   2.650  11.441
  493   1HG   ARG  68          HG2       ARG  68   4.541   1.350  12.465
  494   2HG   ARG  68          HG3       ARG  68   3.883   1.288  10.832
  495   1HD   ARG  68          HD2       ARG  68   5.026  -0.941  10.524
  496   2HD   ARG  68          HD3       ARG  68   5.737  -0.764  12.121
  497    HE   ARG  68           HE       ARG  68   2.737  -0.956  11.701
  498   1HH1  ARG  68          HH22      ARG  68   5.512  -2.682  12.963
  499   2HH1  ARG  68          HH21      ARG  68   4.744  -3.156  14.441
  500   1HH2  ARG  68          HH11      ARG  68   1.643  -1.658  13.607
  501   2HH2  ARG  68          HH12      ARG  68   2.444  -2.743  14.695
  502    H    GLU  69           H        GLU  69   8.389   3.021   9.822
  503    HA   GLU  69           HA       GLU  69   7.801   5.701   9.338
  504   1HB   GLU  69          HB2       GLU  69   9.912   4.612  10.322
  505   2HB   GLU  69          HB3       GLU  69  10.450   4.327   8.675
  506   1HG   GLU  69          HG2       GLU  69  11.538   6.286   9.494
  507   2HG   GLU  69          HG3       GLU  69  10.392   6.780   8.240
  508    H    LEU  70           H        LEU  70   9.168   3.283   7.121
  509    HA   LEU  70           HA       LEU  70   9.071   4.759   4.771
  510   1HB   LEU  70          HB2       LEU  70   9.286   1.898   5.454
  511   2HB   LEU  70          HB3       LEU  70   8.321   2.091   4.050
  512    HG   LEU  70           HG       LEU  70  10.462   1.787   3.238
  513   1HD1  LEU  70          HD11      LEU  70  10.946   3.654   1.947
  514   2HD1  LEU  70          HD12      LEU  70   9.275   4.008   2.451
  515   3HD1  LEU  70          HD13      LEU  70  10.637   4.803   3.256
  516   1HD2  LEU  70          HD21      LEU  70  11.483   3.741   5.335
  517   2HD2  LEU  70          HD22      LEU  70  11.648   1.970   5.348
  518   3HD2  LEU  70          HD23      LEU  70  12.479   2.925   4.105
  519    H    SER  71           H        SER  71   6.341   3.057   6.323
  520    HA   SER  71           HA       SER  71   4.545   3.400   4.118
  521   1HB   SER  71          HB2       SER  71   2.894   2.570   5.490
  522   2HB   SER  71          HB3       SER  71   4.312   1.934   6.317
  523    HG   SER  71           HG       SER  71   4.152   3.753   7.733
  524    H    LYS  72           H        LYS  72   5.500   5.572   6.719
  525    HA   LYS  72           HA       LYS  72   3.554   7.648   6.062
  526   1HB   LYS  72          HB2       LYS  72   6.361   8.234   7.015
  527   2HB   LYS  72          HB3       LYS  72   4.876   9.152   7.289
  528   1HG   LYS  72          HG2       LYS  72   4.019   7.148   8.624
  529   2HG   LYS  72          HG3       LYS  72   5.642   6.471   8.523
  530   1HD   LYS  72          HD2       LYS  72   4.808   9.023   9.944
  531   2HD   LYS  72          HD3       LYS  72   5.535   7.547  10.615
  532   1HE   LYS  72          HE2       LYS  72   7.522   8.106   8.953
  533   2HE   LYS  72          HE3       LYS  72   6.845   9.739   8.946
  534   1HZ   LYS  72          HZ1       LYS  72   8.608   9.360  10.516
  535   2HZ   LYS  72          HZ2       LYS  72   7.228   9.730  11.402
  536   3HZ   LYS  72          HZ3       LYS  72   7.869   8.179  11.227
  537    H    THR  73           H        THR  73   6.905   7.042   4.993
  538    HA   THR  73           HA       THR  73   7.148   9.118   3.126
  539    HB   THR  73           HB       THR  73   8.307   6.331   2.750
  540    HG1  THR  73           HG1      THR  73   9.878   7.005   4.250
  541   1HG2  THR  73          HG21      THR  73   8.827   7.956   0.977
  542   2HG2  THR  73          HG22      THR  73   9.456   9.087   2.198
  543   3HG2  THR  73          HG23      THR  73  10.259   7.523   1.925
  544    H    PHE  74           H        PHE  74   5.681   5.901   2.769
  545    HA   PHE  74           HA       PHE  74   5.092   6.182  -0.059
  546   1HB   PHE  74          HB2       PHE  74   3.982   4.287   2.022
  547   2HB   PHE  74          HB3       PHE  74   3.884   4.072   0.291
  548    HD1  PHE  74           HD1      PHE  74   4.888   2.058   2.223
  549    HD2  PHE  74           HD2      PHE  74   6.939   4.971  -0.197
  550    HE1  PHE  74           HE1      PHE  74   6.703   0.456   1.757
  551    HE2  PHE  74           HE2      PHE  74   8.931   3.511  -0.254
  552    HZ   PHE  74           HZ       PHE  74   8.884   1.314   0.942
  553    H    ILE  75           H        ILE  75   3.468   7.505   2.661
  554    HA   ILE  75           HA       ILE  75   0.788   7.377   1.802
  555    HB   ILE  75           HB       ILE  75   2.377   9.621   3.080
  556   1HG1  ILE  75          HG12      ILE  75   1.872   7.703   4.501
  557   2HG1  ILE  75          HG13      ILE  75   1.051   9.200   4.998
  558   1HG2  ILE  75          HG21      ILE  75   0.186  10.782   3.558
  559   2HG2  ILE  75          HG22      ILE  75   0.752  10.911   1.899
  560   3HG2  ILE  75          HG23      ILE  75  -0.556   9.781   2.295
  561   1HD1  ILE  75          HD11      ILE  75  -0.437   7.380   5.302
  562   2HD1  ILE  75          HD12      ILE  75  -1.045   8.421   4.004
  563   3HD1  ILE  75          HD13      ILE  75  -0.280   6.860   3.614
  564    H    ILE  76           H        ILE  76  -0.388   8.060   0.096
  565    HA   ILE  76           HA       ILE  76   0.683  10.363  -1.518
  566    HB   ILE  76           HB       ILE  76  -0.057   9.361  -3.563
  567   1HG1  ILE  76          HG12      ILE  76  -0.495   6.689  -3.277
  568   2HG1  ILE  76          HG13      ILE  76  -1.250   7.254  -1.792
  569   1HG2  ILE  76          HG21      ILE  76   1.683   7.341  -2.143
  570   2HG2  ILE  76          HG22      ILE  76   1.633   7.730  -3.870
  571   3HG2  ILE  76          HG23      ILE  76   2.247   8.926  -2.718
  572   1HD1  ILE  76          HD11      ILE  76  -1.848   8.246  -4.620
  573   2HD1  ILE  76          HD12      ILE  76  -2.834   7.091  -3.706
  574   3HD1  ILE  76          HD13      ILE  76  -2.706   8.762  -3.160
  575    H    GLY  77           H        GLY  77  -1.968   9.325   0.389
  576   1HA   GLY  77          HA1       GLY  77  -4.110  11.039  -0.696
  577   2HA   GLY  77          HA2       GLY  77  -4.006   9.445  -1.451
  578    H    GLU  78           H        GLU  78  -6.255  10.036  -0.064
  579    HA   GLU  78           HA       GLU  78  -5.980   8.068   2.098
  580   1HB   GLU  78          HB2       GLU  78  -7.791  10.483   2.057
  581   2HB   GLU  78          HB3       GLU  78  -7.358   9.510   3.463
  582   1HG   GLU  78          HG2       GLU  78  -6.244  11.537   3.867
  583   2HG   GLU  78          HG3       GLU  78  -4.980  10.442   3.308
  584    H    LEU  79           H        LEU  79  -7.851   6.925   2.560
  585    HA   LEU  79           HA       LEU  79  -9.445   6.101   0.319
  586   1HB   LEU  79          HB2       LEU  79  -8.862   4.697   2.322
  587   2HB   LEU  79          HB3       LEU  79  -9.832   5.785   3.322
  588    HG   LEU  79           HG       LEU  79 -11.797   5.149   1.671
  589   1HD1  LEU  79          HD11      LEU  79 -11.605   2.865   0.823
  590   2HD1  LEU  79          HD12      LEU  79 -10.398   3.900   0.053
  591   3HD1  LEU  79          HD13      LEU  79  -9.927   2.769   1.358
  592   1HD2  LEU  79          HD21      LEU  79 -10.645   3.287   3.783
  593   2HD2  LEU  79          HD22      LEU  79 -11.778   4.650   4.020
  594   3HD2  LEU  79          HD23      LEU  79 -12.287   3.220   3.111
  595    H    HIS  80           H        HIS  80 -10.952   7.391  -0.616
  596    HA   HIS  80           HA       HIS  80 -11.961   9.593   0.588
  597   1HB   HIS  80          HB2       HIS  80 -12.005   9.180  -1.842
  598   2HB   HIS  80          HB3       HIS  80 -13.334   8.019  -1.610
  599    HD1  HIS  80           HD1      HIS  80 -15.762   9.239  -1.215
  600    HD2  HIS  80           HD2      HIS  80 -12.353  11.620  -0.848
  601    HE1  HIS  80           HE1      HIS  80 -16.577  11.551  -0.485
  602    HA   PRO  81           HA       PRO  81 -14.368   7.788   3.642
  603   1HB   PRO  81          HB2       PRO  81 -15.809  10.533   3.497
  604   2HB   PRO  81          HB3       PRO  81 -15.503   9.602   4.961
  605   1HG   PRO  81          HG2       PRO  81 -13.852  11.673   4.127
  606   2HG   PRO  81          HG3       PRO  81 -13.064  10.157   4.704
  607   1HD   PRO  81          HD2       PRO  81 -13.535  11.120   1.897
  608   2HD   PRO  81          HD3       PRO  81 -12.161  10.220   2.604
  609    H    ASP  82           H        ASP  82 -16.058   8.967   0.959
  610    HA   ASP  82           HA       ASP  82 -18.701   8.226   1.646
  611   1HB   ASP  82          HB2       ASP  82 -18.054   9.296  -0.532
  612   2HB   ASP  82          HB3       ASP  82 -17.207   7.797  -1.003
  613    H    ASP  83           H        ASP  83 -15.799   6.411   0.958
  614    HA   ASP  83           HA       ASP  83 -16.610   3.792   0.732
  615   1HB   ASP  83          HB2       ASP  83 -14.381   5.122   0.495
  616   2HB   ASP  83          HB3       ASP  83 -14.064   4.848   2.122
  617    H    ARG  84           H        ARG  84 -16.438   5.755   3.746
  618    HA   ARG  84           HA       ARG  84 -17.059   3.377   5.400
  619   1HB   ARG  84          HB2       ARG  84 -14.707   5.223   5.947
  620   2HB   ARG  84          HB3       ARG  84 -15.237   3.876   6.962
  621   1HG   ARG  84          HG2       ARG  84 -14.232   3.638   4.109
  622   2HG   ARG  84          HG3       ARG  84 -13.189   3.457   5.487
  623   1HD   ARG  84          HD2       ARG  84 -14.216   1.391   6.160
  624   2HD   ARG  84          HD3       ARG  84 -15.636   1.695   5.158
  625    HE   ARG  84           HE       ARG  84 -14.427   1.456   3.150
  626   1HH1  ARG  84          HH22      ARG  84 -12.398   0.403   5.883
  627   2HH1  ARG  84          HH21      ARG  84 -11.098  -0.072   4.807
  628   1HH2  ARG  84          HH11      ARG  84 -12.858   0.901   1.912
  629   2HH2  ARG  84          HH12      ARG  84 -11.468  -0.102   2.450
  630    HHA  HEM 201           HGM      HEM 201   9.360  -9.052   5.240
  631    HHB  HEM 201           HDM      HEM 201   9.154  -2.683   4.537
  632    HHC  HEM 201           HAM      HEM 201   2.920  -3.067   2.967
  633    HHD  HEM 201           HBM      HEM 201   3.334  -9.512   2.997
  634   1HMA  HEM 201          HM81      HEM 201  10.977  -3.458   6.224
  635   2HMA  HEM 201          HM82      HEM 201  12.209  -4.610   5.697
  636   3HMA  HEM 201          HM83      HEM 201  11.484  -3.512   4.521
  637   1HAA  HEM 201          HP71      HEM 201  11.144  -8.213   6.203
  638   2HAA  HEM 201          HP72      HEM 201  12.069  -6.656   6.421
  639   1HBA  HEM 201          HP73      HEM 201  11.215  -7.484   8.544
  640   2HBA  HEM 201          HP74      HEM 201   9.509  -7.451   7.871
  641   1HMB  HEM 201          HM11      HEM 201   8.234  -0.474   3.120
  642   2HMB  HEM 201          HM12      HEM 201   6.920   0.308   4.033
  643   3HMB  HEM 201          HM13      HEM 201   8.110  -0.662   4.858
  644    HAB  HEM 201          HT2A      HEM 201   3.596  -1.012   2.494
  645   1HBB  HEM 201          HV2C      HEM 201   4.872   0.882   4.308
  646   2HBB  HEM 201          HV2T      HEM 201   3.084   0.289   4.339
  647   1HMC  HEM 201          HM31      HEM 201   0.071  -5.310   3.489
  648   2HMC  HEM 201          HM32      HEM 201   0.870  -3.841   2.914
  649   3HMC  HEM 201          HM33      HEM 201   0.331  -5.081   1.751
  650    HAC  HEM 201          HT4A      HEM 201   0.391  -8.356   2.655
  651   1HBC  HEM 201          HV4C      HEM 201   2.033  -7.617   0.206
  652   2HBC  HEM 201          HV4T      HEM 201   0.250  -8.160   0.274
  653   1HMD  HEM 201          HM51      HEM 201   3.940 -11.495   3.954
  654   2HMD  HEM 201          HM52      HEM 201   5.062 -11.961   2.655
  655   3HMD  HEM 201          HM53      HEM 201   5.376 -12.429   4.343
  656   1HAD  HEM 201          HP61      HEM 201   7.621 -12.289   3.932
  657   2HAD  HEM 201          HP62      HEM 201   9.025 -11.145   4.117
  658   1HBD  HEM 201          HP63      HEM 201   7.222 -11.813   6.478
  659   2HBD  HEM 201          HP64      HEM 201   8.552 -12.958   5.930
  Start of MODEL    8
    1   1H    ALA   3          H1        ALA   3  -3.443  21.027   1.484
    2   2H    ALA   3          H2        ALA   3  -4.272  21.046   0.087
    3   3H    ALA   3          H3        ALA   3  -4.681  22.121   1.296
    4    HA   ALA   3           HA       ALA   3  -5.248  20.153   2.679
    5   1HB   ALA   3          HB1       ALA   3  -6.782  20.428   0.048
    6   2HB   ALA   3          HB2       ALA   3  -7.397  19.693   1.540
    7   3HB   ALA   3          HB3       ALA   3  -7.035  21.427   1.498
    8    H    VAL   4           H        VAL   4  -6.169  17.803   2.177
    9    HA   VAL   4           HA       VAL   4  -4.172  16.220   0.783
   10    HB   VAL   4           HB       VAL   4  -5.865  14.380   1.083
   11   1HG1  VAL   4          HG11      VAL   4  -5.436  14.018   3.394
   12   2HG1  VAL   4          HG12      VAL   4  -3.992  14.695   2.623
   13   3HG1  VAL   4          HG13      VAL   4  -5.016  15.735   3.644
   14   1HG2  VAL   4          HG21      VAL   4  -7.374  16.451   2.767
   15   2HG2  VAL   4          HG22      VAL   4  -7.969  15.610   1.317
   16   3HG2  VAL   4          HG23      VAL   4  -7.616  14.721   2.813
   17    H    LYS   5           H        LYS   5  -4.999  14.650  -0.947
   18    HA   LYS   5           HA       LYS   5  -6.128  16.256  -3.210
   19   1HB   LYS   5          HB2       LYS   5  -3.944  15.572  -3.761
   20   2HB   LYS   5          HB3       LYS   5  -4.104  14.018  -2.946
   21   1HG   LYS   5          HG2       LYS   5  -4.032  13.746  -5.354
   22   2HG   LYS   5          HG3       LYS   5  -5.533  13.132  -4.675
   23   1HD   LYS   5          HD2       LYS   5  -6.665  15.297  -5.375
   24   2HD   LYS   5          HD3       LYS   5  -5.144  15.773  -6.159
   25   1HE   LYS   5          HE2       LYS   5  -5.272  13.766  -7.618
   26   2HE   LYS   5          HE3       LYS   5  -6.711  13.199  -6.748
   27   1HZ   LYS   5          HZ1       LYS   5  -7.288  14.255  -8.796
   28   2HZ   LYS   5          HZ2       LYS   5  -7.895  15.109  -7.531
   29   3HZ   LYS   5          HZ3       LYS   5  -6.573  15.667  -8.346
   30    H    TYR   6           H        TYR   6  -5.876  13.000  -1.929
   31    HA   TYR   6           HA       TYR   6  -7.274  11.383  -1.451
   32   1HB   TYR   6          HB2       TYR   6  -9.759  13.038  -2.130
   33   2HB   TYR   6          HB3       TYR   6  -9.545  11.579  -1.195
   34    HD1  TYR   6           HD1      TYR   6  -7.037  12.464   0.374
   35    HD2  TYR   6           HD2      TYR   6 -11.011  14.023  -0.230
   36    HE1  TYR   6           HE1      TYR   6  -7.538  11.961   2.586
   37    HE2  TYR   6           HE2      TYR   6 -11.454  13.750   2.175
   38    HH   TYR   6           HH       TYR   6  -9.237  11.896   4.293
   39    H    TYR   7           H        TYR   7  -8.437   9.883  -2.093
   40    HA   TYR   7           HA       TYR   7  -8.389   9.206  -4.956
   41   1HB   TYR   7          HB2       TYR   7  -6.862   8.593  -2.436
   42   2HB   TYR   7          HB3       TYR   7  -6.987   7.324  -3.470
   43    HD1  TYR   7           HD1      TYR   7  -4.406   8.059  -2.737
   44    HD2  TYR   7           HD2      TYR   7  -6.696  10.001  -5.843
   45    HE1  TYR   7           HE1      TYR   7  -2.412   9.333  -3.472
   46    HE2  TYR   7           HE2      TYR   7  -4.703  11.133  -6.620
   47    HH   TYR   7           HH       TYR   7  -2.391  11.316  -6.422
   48    H    THR   8           H        THR   8 -10.006   8.015  -5.487
   49    HA   THR   8           HA       THR   8 -12.026   7.250  -3.501
   50    HB   THR   8           HB       THR   8 -13.278   6.640  -5.625
   51    HG1  THR   8           HG1      THR   8 -12.236   7.378  -7.569
   52   1HG2  THR   8          HG21      THR   8 -13.594   8.961  -6.386
   53   2HG2  THR   8          HG22      THR   8 -13.488   8.896  -4.619
   54   3HG2  THR   8          HG23      THR   8 -12.099   9.462  -5.570
   55    H    LEU   9           H        LEU   9 -12.834   5.080  -3.324
   56    HA   LEU   9           HA       LEU   9 -11.007   2.950  -3.466
   57   1HB   LEU   9          HB2       LEU   9 -12.691   2.526  -2.224
   58   2HB   LEU   9          HB3       LEU   9 -13.981   3.136  -3.273
   59    HG   LEU   9           HG       LEU   9 -12.436   0.566  -3.885
   60   1HD1  LEU   9          HD11      LEU   9 -13.265   0.358  -1.588
   61   2HD1  LEU   9          HD12      LEU   9 -14.893   0.845  -2.113
   62   3HD1  LEU   9          HD13      LEU   9 -14.184  -0.684  -2.684
   63   1HD2  LEU   9          HD21      LEU   9 -15.264   1.533  -4.562
   64   2HD2  LEU   9          HD22      LEU   9 -13.929   1.354  -5.717
   65   3HD2  LEU   9          HD23      LEU   9 -14.621  -0.071  -4.954
   66    H    GLU  10           H        GLU  10 -13.137   4.173  -6.062
   67    HA   GLU  10           HA       GLU  10 -12.596   2.249  -8.009
   68   1HB   GLU  10          HB2       GLU  10 -14.030   4.218  -8.463
   69   2HB   GLU  10          HB3       GLU  10 -12.629   5.283  -8.473
   70   1HG   GLU  10          HG2       GLU  10 -11.624   4.089 -10.343
   71   2HG   GLU  10          HG3       GLU  10 -12.905   2.861 -10.306
   72    H    GLU  11           H        GLU  11 -10.653   5.209  -7.365
   73    HA   GLU  11           HA       GLU  11  -8.605   4.447  -9.220
   74   1HB   GLU  11          HB2       GLU  11  -8.600   6.423  -6.899
   75   2HB   GLU  11          HB3       GLU  11  -7.101   5.937  -7.663
   76   1HG   GLU  11          HG2       GLU  11  -9.436   7.101  -9.239
   77   2HG   GLU  11          HG3       GLU  11  -8.143   8.070  -8.520
   78    H    ILE  12           H        ILE  12  -8.954   4.015  -5.696
   79    HA   ILE  12           HA       ILE  12  -6.353   3.084  -5.416
   80    HB   ILE  12           HB       ILE  12  -8.850   2.534  -3.755
   81   1HG1  ILE  12          HG12      ILE  12  -6.489   4.269  -2.949
   82   2HG1  ILE  12          HG13      ILE  12  -7.697   4.934  -4.050
   83   1HG2  ILE  12          HG21      ILE  12  -7.417   0.758  -3.191
   84   2HG2  ILE  12          HG22      ILE  12  -5.973   1.817  -3.165
   85   3HG2  ILE  12          HG23      ILE  12  -7.227   1.962  -1.915
   86   1HD1  ILE  12          HD11      ILE  12  -9.469   4.421  -2.371
   87   2HD1  ILE  12          HD12      ILE  12  -8.200   3.912  -1.234
   88   3HD1  ILE  12          HD13      ILE  12  -8.244   5.579  -1.838
   89    H    GLN  13           H        GLU  13  -9.315   1.276  -6.168
   90    HA   GLN  13           HA       GLU  13  -8.100  -1.340  -6.129
   91   1HB   GLN  13          HB2       GLU  13 -10.500  -0.141  -7.609
   92   2HB   GLN  13          HB3       GLU  13  -9.999  -1.814  -7.843
   93   1HG   GLN  13          HG2       GLU  13 -10.328  -2.274  -5.438
   94   2HG   GLN  13          HG3       GLU  13 -10.766  -0.583  -5.157
   95    H    LYS  14           H        LYS  14  -8.702   1.093  -8.598
   96    HA   LYS  14           HA       LYS  14  -7.798  -0.102 -10.912
   97   1HB   LYS  14          HB2       LYS  14  -8.661   2.388 -10.117
   98   2HB   LYS  14          HB3       LYS  14  -7.034   2.761 -10.357
   99   1HG   LYS  14          HG2       LYS  14  -7.939   3.283 -12.421
  100   2HG   LYS  14          HG3       LYS  14  -7.668   1.562 -12.792
  101   1HD   LYS  14          HD2       LYS  14 -10.007   1.065 -12.081
  102   2HD   LYS  14          HD3       LYS  14 -10.207   2.726 -11.511
  103   1HE   LYS  14          HE2       LYS  14  -9.861   3.553 -13.865
  104   2HE   LYS  14          HE3       LYS  14  -9.974   1.865 -14.402
  105   1HZ   LYS  14          HZ1       LYS  14 -12.108   2.971 -14.515
  106   2HZ   LYS  14          HZ2       LYS  14 -12.199   1.841 -13.323
  107   3HZ   LYS  14          HZ3       LYS  14 -12.066   3.428 -12.967
  108    H    HIS  15           H        HIS  15  -5.935   1.698  -8.462
  109    HA   HIS  15           HA       HIS  15  -3.328   1.274  -9.707
  110   1HB   HIS  15          HB2       HIS  15  -4.248   2.493  -7.091
  111   2HB   HIS  15          HB3       HIS  15  -2.553   2.165  -7.515
  112    HD1  HIS  15           HD1      HIS  15  -1.292   4.090  -8.644
  113    HD2  HIS  15           HD2      HIS  15  -5.476   4.358  -9.006
  114    HE1  HIS  15           HE1      HIS  15  -1.799   6.308  -9.732
  115    H    ASN  16           H        ASN  16  -4.077  -1.080  -9.724
  116    HA   ASN  16           HA       ASN  16  -1.973  -2.143  -7.955
  117   1HB   ASN  16          HB2       ASN  16  -3.016  -4.108  -7.226
  118   2HB   ASN  16          HB3       ASN  16  -4.059  -2.750  -6.827
  119   1HD2  ASN  16          HD21      ASN  16  -5.520  -4.669  -6.509
  120   2HD2  ASN  16          HD22      ASN  16  -6.476  -5.152  -7.909
  121    H    ASN  17           H        ASN  17  -2.649  -1.431 -11.003
  122    HA   ASN  17           HA       ASN  17  -0.455  -2.884 -11.766
  123   1HB   ASN  17          HB2       ASN  17  -2.225  -4.797 -12.046
  124   2HB   ASN  17          HB3       ASN  17  -2.962  -3.779 -13.287
  125   1HD2  ASN  17          HD21      ASN  17  -2.449  -5.313 -14.998
  126   2HD2  ASN  17          HD22      ASN  17  -0.789  -5.543 -15.517
  127    H    SER  18           H        SER  18   0.236  -2.244 -13.871
  128    HA   SER  18           HA       SER  18   0.739  -0.478 -15.284
  129   1HB   SER  18          HB2       SER  18  -2.057  -1.295 -16.148
  130   2HB   SER  18          HB3       SER  18  -0.767  -0.644 -17.180
  131    HG   SER  18           HG       SER  18  -0.845  -2.954 -17.236
  132    H    LYS  19           H        LYS  19   0.060   0.849 -13.036
  133    HA   LYS  19           HA       LYS  19  -1.095   3.367 -13.934
  134   1HB   LYS  19          HB2       LYS  19  -3.110   1.904 -13.486
  135   2HB   LYS  19          HB3       LYS  19  -2.567   1.627 -11.875
  136   1HG   LYS  19          HG2       LYS  19  -4.006   3.241 -11.438
  137   2HG   LYS  19          HG3       LYS  19  -2.618   4.317 -11.774
  138   1HD   LYS  19          HD2       LYS  19  -3.509   4.255 -14.248
  139   2HD   LYS  19          HD3       LYS  19  -5.010   3.660 -13.544
  140   1HE   LYS  19          HE2       LYS  19  -3.636   6.349 -13.051
  141   2HE   LYS  19          HE3       LYS  19  -5.146   6.077 -13.930
  142   1HZ   LYS  19          HZ1       LYS  19  -6.193   5.467 -11.758
  143   2HZ   LYS  19          HZ2       LYS  19  -4.741   5.710 -11.025
  144   3HZ   LYS  19          HZ3       LYS  19  -5.578   6.913 -11.659
  145    H    SER  20           H        SER  20  -0.943   1.662 -10.782
  146    HA   SER  20           HA       SER  20   1.681   1.932 -10.230
  147   1HB   SER  20          HB2       SER  20   0.588   3.480  -7.995
  148   2HB   SER  20          HB3       SER  20   2.017   3.786  -8.966
  149    HG   SER  20           HG       SER  20   0.675   4.753 -10.536
  150    H    THR  21           H        THR  21   1.643   1.332  -7.657
  151    HA   THR  21           HA       THR  21  -0.614  -0.582  -7.183
  152    HB   THR  21           HB       THR  21   2.307  -0.887  -6.462
  153    HG1  THR  21           HG1      THR  21   1.748  -1.150  -8.677
  154   1HG2  THR  21          HG21      THR  21   1.581  -3.225  -5.862
  155   2HG2  THR  21          HG22      THR  21   0.819  -2.014  -4.805
  156   3HG2  THR  21          HG23      THR  21  -0.095  -2.754  -6.147
  157    H    TRP  22           H        TRP  22  -1.881   0.186  -5.665
  158    HA   TRP  22           HA       TRP  22  -0.877   1.947  -3.490
  159   1HB   TRP  22          HB2       TRP  22  -3.408   1.762  -5.105
  160   2HB   TRP  22          HB3       TRP  22  -3.441   2.514  -3.561
  161    HD1  TRP  22           HD1      TRP  22  -0.198   3.196  -5.349
  162    HE1  TRP  22           HE1      TRP  22  -0.089   5.425  -6.369
  163    HE3  TRP  22           HE3      TRP  22  -5.056   4.510  -4.610
  164    HZ2  TRP  22           HZ2      TRP  22  -2.059   7.576  -7.097
  165    HZ3  TRP  22           HZ3      TRP  22  -5.993   6.526  -5.699
  166    HH2  TRP  22           HH2      TRP  22  -4.543   7.980  -7.067
  167    H    LEU  23           H        LEU  23  -1.769   1.604  -1.348
  168    HA   LEU  23           HA       LEU  23  -3.824  -0.441  -1.061
  169   1HB   LEU  23          HB2       LEU  23  -2.274  -1.222   1.092
  170   2HB   LEU  23          HB3       LEU  23  -2.558  -2.067  -0.386
  171    HG   LEU  23           HG       LEU  23  -0.443  -1.182  -1.368
  172   1HD1  LEU  23          HD11      LEU  23  -0.127  -0.320   1.524
  173   2HD1  LEU  23          HD12      LEU  23   1.248  -0.702   0.483
  174   3HD1  LEU  23          HD13      LEU  23   0.152   0.599   0.008
  175   1HD2  LEU  23          HD21      LEU  23   0.814  -2.904   0.009
  176   2HD2  LEU  23          HD22      LEU  23  -0.574  -2.939   1.116
  177   3HD2  LEU  23          HD23      LEU  23  -0.764  -3.483  -0.560
  178    H    ILE  24           H        ILE  24  -4.757  -0.477   1.125
  179    HA   ILE  24           HA       ILE  24  -4.498   2.212   2.360
  180    HB   ILE  24           HB       ILE  24  -6.965   0.599   2.861
  181   1HG1  ILE  24          HG12      ILE  24  -6.426   2.052   0.240
  182   2HG1  ILE  24          HG13      ILE  24  -6.837   0.339   0.451
  183   1HG2  ILE  24          HG21      ILE  24  -7.979   2.724   3.088
  184   2HG2  ILE  24          HG22      ILE  24  -6.436   2.753   3.953
  185   3HG2  ILE  24          HG23      ILE  24  -6.579   3.547   2.364
  186   1HD1  ILE  24          HD11      ILE  24  -9.044   1.061   1.450
  187   2HD1  ILE  24          HD12      ILE  24  -8.666   2.683   0.840
  188   3HD1  ILE  24          HD13      ILE  24  -8.823   1.331  -0.285
  189    H    LEU  25           H        LEU  25  -3.586   2.369   4.182
  190    HA   LEU  25           HA       LEU  25  -3.523   0.088   6.135
  191   1HB   LEU  25          HB2       LEU  25  -1.322   1.698   4.999
  192   2HB   LEU  25          HB3       LEU  25  -1.239   1.250   6.706
  193    HG   LEU  25           HG       LEU  25  -1.335  -1.111   6.129
  194   1HD1  LEU  25          HD11      LEU  25  -2.577  -1.380   4.173
  195   2HD1  LEU  25          HD12      LEU  25  -1.667  -0.121   3.289
  196   3HD1  LEU  25          HD13      LEU  25  -0.932  -1.700   3.642
  197   1HD2  LEU  25          HD21      LEU  25   0.871  -1.264   4.989
  198   2HD2  LEU  25          HD22      LEU  25   0.718   0.435   4.496
  199   3HD2  LEU  25          HD23      LEU  25   0.859   0.019   6.218
  200    H    HIS  26           H        HIS  26  -5.247   0.966   7.271
  201    HA   HIS  26           HA       HIS  26  -6.246   2.231   8.869
  202   1HB   HIS  26          HB2       HIS  26  -3.830   4.044   9.126
  203   2HB   HIS  26          HB3       HIS  26  -5.046   3.643  10.323
  204    HD1  HIS  26           HD1      HIS  26  -4.706   1.183  11.547
  205    HD2  HIS  26           HD2      HIS  26  -1.683   2.494   8.922
  206    HE1  HIS  26           HE1      HIS  26  -2.659  -0.278  11.982
  207    H    TYR  27           H        TYR  27  -6.981   2.675   6.379
  208    HA   TYR  27           HA       TYR  27  -8.183   3.995   5.068
  209   1HB   TYR  27          HB2       TYR  27  -8.166   5.953   7.378
  210   2HB   TYR  27          HB3       TYR  27  -9.129   6.105   5.916
  211    HD1  TYR  27           HD1      TYR  27 -10.565   3.989   5.220
  212    HD2  TYR  27           HD2      TYR  27  -9.155   4.777   9.221
  213    HE1  TYR  27           HE1      TYR  27 -12.380   2.598   6.123
  214    HE2  TYR  27           HE2      TYR  27 -10.970   3.345  10.127
  215    HH   TYR  27           HH       TYR  27 -13.371   1.743   8.028
  216    H    LYS  28           H        LYS  28  -5.277   5.566   6.267
  217    HA   LYS  28           HA       LYS  28  -4.979   7.377   4.031
  218   1HB   LYS  28          HB2       LYS  28  -3.053   6.150   6.009
  219   2HB   LYS  28          HB3       LYS  28  -2.478   7.001   4.568
  220   1HG   LYS  28          HG2       LYS  28  -2.491   8.473   6.453
  221   2HG   LYS  28          HG3       LYS  28  -3.637   9.039   5.220
  222   1HD   LYS  28          HD2       LYS  28  -5.537   8.302   6.540
  223   2HD   LYS  28          HD3       LYS  28  -4.503   7.273   7.528
  224   1HE   LYS  28          HE2       LYS  28  -5.210   9.226   8.811
  225   2HE   LYS  28          HE3       LYS  28  -3.455   9.241   8.582
  226   1HZ   LYS  28          HZ1       LYS  28  -4.442  11.409   8.186
  227   2HZ   LYS  28          HZ2       LYS  28  -3.819  10.835   6.769
  228   3HZ   LYS  28          HZ3       LYS  28  -5.426  10.803   7.031
  229    H    VAL  29           H        VAL  29  -3.616   7.074   2.244
  230    HA   VAL  29           HA       VAL  29  -3.697   4.304   1.135
  231    HB   VAL  29           HB       VAL  29  -4.181   6.974  -0.207
  232   1HG1  VAL  29          HG11      VAL  29  -3.850   4.234  -1.498
  233   2HG1  VAL  29          HG12      VAL  29  -4.471   5.698  -2.295
  234   3HG1  VAL  29          HG13      VAL  29  -2.795   5.641  -1.738
  235   1HG2  VAL  29          HG21      VAL  29  -5.824   4.416  -0.232
  236   2HG2  VAL  29          HG22      VAL  29  -6.076   5.687   0.973
  237   3HG2  VAL  29          HG23      VAL  29  -6.298   6.046  -0.763
  238    H    TYR  30           H        TYR  30  -1.901   3.532   0.178
  239    HA   TYR  30           HA       TYR  30   0.655   4.984   0.669
  240   1HB   TYR  30          HB2       TYR  30  -0.473   2.237   1.263
  241   2HB   TYR  30          HB3       TYR  30   1.237   2.458   1.293
  242    HD1  TYR  30           HD1      TYR  30  -2.058   3.382   2.696
  243    HD2  TYR  30           HD2      TYR  30   2.185   3.575   3.374
  244    HE1  TYR  30           HE1      TYR  30  -2.452   4.292   4.932
  245    HE2  TYR  30           HE2      TYR  30   1.744   4.333   5.711
  246    HH   TYR  30           HH       TYR  30  -1.551   4.242   7.008
  247    H    ASP  31           H        ASP  31   1.956   5.011  -1.213
  248    HA   ASP  31           HA       ASP  31   1.182   3.202  -3.463
  249   1HB   ASP  31          HB2       ASP  31   1.454   5.741  -3.921
  250   2HB   ASP  31          HB3       ASP  31   3.194   5.425  -3.684
  251    H    LEU  32           H        LEU  32   2.676   1.688  -4.050
  252    HA   LEU  32           HA       LEU  32   5.327   1.730  -2.648
  253   1HB   LEU  32          HB2       LEU  32   3.691  -0.771  -3.226
  254   2HB   LEU  32          HB3       LEU  32   5.237  -0.662  -2.430
  255    HG   LEU  32           HG       LEU  32   2.520  -0.147  -1.446
  256   1HD1  LEU  32          HD11      LEU  32   4.839  -1.248   0.171
  257   2HD1  LEU  32          HD12      LEU  32   3.140  -1.762   0.175
  258   3HD1  LEU  32          HD13      LEU  32   4.199  -2.227  -1.158
  259   1HD2  LEU  32          HD21      LEU  32   4.805   1.364  -0.318
  260   2HD2  LEU  32          HD22      LEU  32   3.076   1.816  -0.506
  261   3HD2  LEU  32          HD23      LEU  32   3.536   0.721   0.770
  262    H    THR  33           H        THR  33   4.096   2.046  -5.596
  263    HA   THR  33           HA       THR  33   4.819  -0.144  -7.138
  264    HB   THR  33           HB       THR  33   5.191   2.729  -8.095
  265    HG1  THR  33           HG1      THR  33   3.245   2.672  -7.072
  266   1HG2  THR  33          HG21      THR  33   5.775   0.954  -9.749
  267   2HG2  THR  33          HG22      THR  33   4.192   0.193  -9.484
  268   3HG2  THR  33          HG23      THR  33   4.295   1.810 -10.213
  269    H    LYS  34           H        LYS  34   7.091   2.430  -6.151
  270    HA   LYS  34           HA       LYS  34   9.356   1.273  -7.582
  271   1HB   LYS  34          HB2       LYS  34   8.870   3.714  -6.794
  272   2HB   LYS  34          HB3       LYS  34   9.474   3.198  -5.223
  273   1HG   LYS  34          HG2       LYS  34  10.996   3.119  -7.884
  274   2HG   LYS  34          HG3       LYS  34  11.082   4.404  -6.683
  275   1HD   LYS  34          HD2       LYS  34  12.839   3.352  -5.789
  276   2HD   LYS  34          HD3       LYS  34  11.696   2.184  -5.130
  277   1HE   LYS  34          HE2       LYS  34  11.944   0.889  -7.336
  278   2HE   LYS  34          HE3       LYS  34  13.234   1.992  -7.786
  279   1HZ   LYS  34          HZ1       LYS  34  13.275   0.432  -5.283
  280   2HZ   LYS  34          HZ2       LYS  34  13.923  -0.103  -6.728
  281   3HZ   LYS  34          HZ3       LYS  34  14.512   1.232  -5.954
  282    H    PHE  35           H        PHE  35   7.856   0.838  -4.437
  283    HA   PHE  35           HA       PHE  35  10.235  -0.239  -3.139
  284   1HB   PHE  35          HB2       PHE  35   8.384   1.074  -1.924
  285   2HB   PHE  35          HB3       PHE  35   7.314  -0.316  -2.190
  286    HD1  PHE  35           HD1      PHE  35  10.870   0.222  -0.951
  287    HD2  PHE  35           HD2      PHE  35   7.051  -1.722  -0.385
  288    HE1  PHE  35           HE1      PHE  35  11.774  -0.991   0.983
  289    HE2  PHE  35           HE2      PHE  35   7.901  -2.792   1.631
  290    HZ   PHE  35           HZ       PHE  35  10.311  -2.528   2.296
  291    H    LEU  36           H        LEU  36   7.429  -1.388  -4.888
  292    HA   LEU  36           HA       LEU  36   7.283  -4.083  -4.403
  293   1HB   LEU  36          HB2       LEU  36   7.502  -2.706  -7.117
  294   2HB   LEU  36          HB3       LEU  36   6.882  -4.316  -6.863
  295    HG   LEU  36           HG       LEU  36   5.583  -1.790  -5.938
  296   1HD1  LEU  36          HD11      LEU  36   5.359  -2.403  -8.320
  297   2HD1  LEU  36          HD12      LEU  36   4.740  -3.991  -7.853
  298   3HD1  LEU  36          HD13      LEU  36   3.816  -2.540  -7.459
  299   1HD2  LEU  36          HD21      LEU  36   3.729  -3.297  -5.147
  300   2HD2  LEU  36          HD22      LEU  36   4.867  -4.649  -5.233
  301   3HD2  LEU  36          HD23      LEU  36   5.173  -3.291  -4.132
  302    H    GLU  37           H        GLU  37   9.948  -2.521  -6.233
  303    HA   GLU  37           HA       GLU  37  11.416  -4.824  -6.974
  304   1HB   GLU  37          HB2       GLU  37  12.258  -2.022  -6.113
  305   2HB   GLU  37          HB3       GLU  37  13.383  -3.218  -6.742
  306   1HG   GLU  37          HG2       GLU  37  12.173  -3.281  -8.890
  307   2HG   GLU  37          HG3       GLU  37  10.976  -2.127  -8.266
  308    H    GLU  38           H        GLU  38  11.379  -2.964  -3.956
  309    HA   GLU  38           HA       GLU  38  13.791  -4.264  -2.909
  310   1HB   GLU  38          HB2       GLU  38  11.956  -2.065  -1.882
  311   2HB   GLU  38          HB3       GLU  38  13.479  -2.526  -1.119
  312   1HG   GLU  38          HG2       GLU  38  14.781  -1.711  -2.925
  313   2HG   GLU  38          HG3       GLU  38  13.413  -1.674  -4.041
  314    H    HIS  39           HN       HIS  39  10.321  -4.140  -2.249
  315    HA   HIS  39           HA       HIS  39  10.129  -4.801   0.340
  316   1HB   HIS  39          HB2       HIS  39   8.236  -4.235  -1.089
  317   2HB   HIS  39          HB3       HIS  39   8.337  -5.814  -1.884
  318    HD1  HIS  39           HD1      HIS  39   6.362  -7.299  -0.934
  319    HD2  HIS  39           HD2      HIS  39   8.337  -4.907   1.931
  320    HE1  HIS  39           HE1      HIS  39   5.184  -7.658   1.258
  321    HA   PRO  40           HA       PRO  40  12.166  -8.876   0.497
  322   1HB   PRO  40          HB2       PRO  40  10.950  -8.686   3.265
  323   2HB   PRO  40          HB3       PRO  40  12.544  -9.344   2.796
  324   1HG   PRO  40          HG2       PRO  40  12.414  -6.827   3.764
  325   2HG   PRO  40          HG3       PRO  40  13.359  -7.128   2.276
  326   1HD   PRO  40          HD2       PRO  40  10.539  -6.049   2.490
  327   2HD   PRO  40          HD3       PRO  40  11.914  -5.447   1.516
  328    H    GLY  41           H        GLY  41   8.794  -8.261   1.541
  329   1HA   GLY  41          HA1       GLY  41   7.812 -10.920   1.564
  330   2HA   GLY  41          HA2       GLY  41   6.885  -9.480   1.214
  331    H    GLY  42           H        GLY  42   8.583  -8.753  -1.186
  332   1HA   GLY  42          HA1       GLY  42   8.785  -9.549  -3.435
  333   2HA   GLY  42          HA2       GLY  42   7.493 -10.732  -3.161
  334    H    GLU  43           H        GLU  43   6.944  -9.452  -5.282
  335    HA   GLU  43           HA       GLU  43   5.498  -6.890  -4.726
  336   1HB   GLU  43          HB2       GLU  43   7.033  -6.658  -6.462
  337   2HB   GLU  43          HB3       GLU  43   6.536  -8.067  -7.342
  338   1HG   GLU  43          HG2       GLU  43   4.481  -5.952  -6.934
  339   2HG   GLU  43          HG3       GLU  43   5.785  -5.800  -8.156
  340    H    GLU  44           H        GLU  44   5.208 -10.134  -6.086
  341    HA   GLU  44           HA       GLU  44   2.590 -10.329  -6.795
  342   1HB   GLU  44          HB2       GLU  44   3.832 -12.573  -5.147
  343   2HB   GLU  44          HB3       GLU  44   2.808 -12.649  -6.578
  344   1HG   GLU  44          HG2       GLU  44   4.879 -13.256  -7.415
  345   2HG   GLU  44          HG3       GLU  44   4.893 -11.532  -7.790
  346    H    VAL  45           H        VAL  45   3.833 -10.953  -3.525
  347    HA   VAL  45           HA       VAL  45   1.402 -11.440  -2.200
  348    HB   VAL  45           HB       VAL  45   2.546 -11.322  -0.204
  349   1HG1  VAL  45          HG11      VAL  45   4.955 -11.520  -2.030
  350   2HG1  VAL  45          HG12      VAL  45   4.683 -12.326  -0.480
  351   3HG1  VAL  45          HG13      VAL  45   3.743 -12.835  -1.898
  352   1HG2  VAL  45          HG21      VAL  45   4.601 -10.029   0.273
  353   2HG2  VAL  45          HG22      VAL  45   4.484  -9.258  -1.317
  354   3HG2  VAL  45          HG23      VAL  45   3.239  -8.974  -0.081
  355    H    LEU  46           H        LEU  46   3.030  -8.433  -3.008
  356    HA   LEU  46           HA       LEU  46   1.437  -6.739  -1.323
  357   1HB   LEU  46          HB2       LEU  46   3.882  -6.530  -2.439
  358   2HB   LEU  46          HB3       LEU  46   2.983  -5.785  -3.755
  359    HG   LEU  46           HG       LEU  46   3.973  -4.211  -2.203
  360   1HD1  LEU  46          HD11      LEU  46   2.024  -2.750  -1.953
  361   2HD1  LEU  46          HD12      LEU  46   1.903  -3.665  -3.458
  362   3HD1  LEU  46          HD13      LEU  46   0.932  -4.144  -2.058
  363   1HD2  LEU  46          HD21      LEU  46   3.719  -5.720  -0.162
  364   2HD2  LEU  46          HD22      LEU  46   3.387  -4.011   0.112
  365   3HD2  LEU  46          HD23      LEU  46   2.046  -5.141  -0.040
  366    H    ARG  47           H        ARG  47   1.506  -7.694  -4.725
  367    HA   ARG  47           HA       ARG  47  -0.436  -5.867  -5.675
  368   1HB   ARG  47          HB2       ARG  47   1.275  -7.077  -7.009
  369   2HB   ARG  47          HB3       ARG  47   0.337  -8.568  -6.833
  370   1HG   ARG  47          HG2       ARG  47  -1.625  -7.448  -7.912
  371   2HG   ARG  47          HG3       ARG  47  -0.675  -5.959  -8.082
  372   1HD   ARG  47          HD2       ARG  47   0.071  -8.670  -9.250
  373   2HD   ARG  47          HD3       ARG  47  -0.748  -7.400 -10.162
  374    HE   ARG  47           HE       ARG  47   2.074  -7.489  -9.184
  375   1HH1  ARG  47          HH22      ARG  47  -0.319  -5.168 -10.423
  376   2HH1  ARG  47          HH21      ARG  47   0.620  -4.780 -11.856
  377   1HH2  ARG  47          HH11      ARG  47   3.519  -6.492 -10.677
  378   2HH2  ARG  47          HH12      ARG  47   2.974  -5.215 -11.733
  379    H    GLU  48           H        GLU  48  -0.593  -9.268  -4.647
  380    HA   GLU  48           HA       GLU  48  -3.262  -9.933  -4.957
  381   1HB   GLU  48          HB2       GLU  48  -1.559 -11.459  -4.206
  382   2HB   GLU  48          HB3       GLU  48  -1.236 -10.489  -2.776
  383   1HG   GLU  48          HG2       GLU  48  -2.459 -12.492  -2.155
  384   2HG   GLU  48          HG3       GLU  48  -3.515 -11.104  -1.887
  385    H    GLN  49           H        GLN  49  -1.837  -8.079  -2.208
  386    HA   GLN  49           HA       GLN  49  -4.481  -7.594  -1.002
  387   1HB   GLN  49          HB2       GLN  49  -1.703  -6.482  -0.421
  388   2HB   GLN  49          HB3       GLN  49  -3.150  -6.160   0.538
  389   1HG   GLN  49          HG2       GLN  49  -1.970  -8.946   0.140
  390   2HG   GLN  49          HG3       GLN  49  -1.661  -7.871   1.510
  391   1HE2  GLN  49          HE21      GLN  49  -4.227  -9.779  -0.086
  392   2HE2  GLN  49          HE22      GLN  49  -5.261  -9.808   1.330
  393    H    ALA  50           H        ALA  50  -2.323  -5.934  -3.174
  394    HA   ALA  50           HA       ALA  50  -2.947  -3.294  -2.511
  395   1HB   ALA  50          HB1       ALA  50  -1.962  -4.387  -5.155
  396   2HB   ALA  50          HB2       ALA  50  -1.928  -2.687  -4.675
  397   3HB   ALA  50          HB3       ALA  50  -0.949  -3.863  -3.779
  398    H    GLY  51           H        GLY  51  -4.076  -1.664  -3.517
  399   1HA   GLY  51          HA1       GLY  51  -6.037  -0.737  -4.185
  400   2HA   GLY  51          HA2       GLY  51  -6.086  -1.938  -5.484
  401    H    GLY  52           H        GLY  52  -5.841  -2.034  -1.903
  402   1HA   GLY  52          HA1       GLY  52  -8.525  -2.020  -1.212
  403   2HA   GLY  52          HA2       GLY  52  -7.950  -3.719  -1.231
  404    H    ASP  53           H        ASP  53  -8.637  -2.397   1.069
  405    HA   ASP  53           HA       ASP  53  -6.542  -1.438   2.613
  406   1HB   ASP  53          HB2       ASP  53  -8.843  -3.182   3.584
  407   2HB   ASP  53          HB3       ASP  53  -7.882  -2.069   4.572
  408    H    ALA  54           H        ALA  54  -4.724  -2.272   3.356
  409    HA   ALA  54           HA       ALA  54  -4.521  -5.243   3.796
  410   1HB   ALA  54          HB1       ALA  54  -2.274  -5.206   3.024
  411   2HB   ALA  54          HB2       ALA  54  -3.230  -4.350   1.798
  412   3HB   ALA  54          HB3       ALA  54  -2.241  -3.433   2.937
  413    H    THR  55           H        THR  55  -5.417  -3.030   5.538
  414    HA   THR  55           HA       THR  55  -3.318  -2.034   7.141
  415    HB   THR  55           HB       THR  55  -6.277  -2.312   7.857
  416    HG1  THR  55           HG1      THR  55  -5.460  -1.041   5.817
  417   1HG2  THR  55          HG21      THR  55  -5.790  -0.286   9.235
  418   2HG2  THR  55          HG22      THR  55  -4.862  -1.687   9.792
  419   3HG2  THR  55          HG23      THR  55  -4.067  -0.440   8.807
  420    H    GLU  56           H        GLU  56  -5.769  -4.573   8.029
  421    HA   GLU  56           HA       GLU  56  -4.689  -5.263  10.520
  422   1HB   GLU  56          HB2       GLU  56  -6.261  -6.944   8.498
  423   2HB   GLU  56          HB3       GLU  56  -6.024  -7.308  10.211
  424   1HG   GLU  56          HG2       GLU  56  -7.199  -5.206  10.826
  425   2HG   GLU  56          HG3       GLU  56  -7.483  -4.846   9.113
  426    H    ASN  57           H        ASN  57  -4.351  -6.738   7.296
  427    HA   ASN  57           HA       ASN  57  -2.402  -8.661   7.639
  428   1HB   ASN  57          HB2       ASN  57  -3.375  -8.518   5.553
  429   2HB   ASN  57          HB3       ASN  57  -3.185  -6.775   5.424
  430   1HD2  ASN  57          HD21      ASN  57  -1.119  -5.865   4.943
  431   2HD2  ASN  57          HD22      ASN  57   0.098  -6.853   4.129
  432    H    PHE  58           H        PHE  58  -1.755  -5.120   7.165
  433    HA   PHE  58           HA       PHE  58   1.069  -5.452   7.086
  434   1HB   PHE  58          HB2       PHE  58  -0.099  -3.458   6.252
  435   2HB   PHE  58          HB3       PHE  58  -0.588  -3.033   7.888
  436    HD1  PHE  58           HD1      PHE  58   0.763  -1.522   9.111
  437    HD2  PHE  58           HD2      PHE  58   2.521  -3.821   5.915
  438    HE1  PHE  58           HE1      PHE  58   2.871  -0.250   9.355
  439    HE2  PHE  58           HE2      PHE  58   4.654  -2.575   6.203
  440    HZ   PHE  58           HZ       PHE  58   4.827  -0.776   7.894
  441    H    GLU  59           H        GLU  59  -1.129  -4.597   9.765
  442    HA   GLU  59           HA       GLU  59   0.870  -4.311  11.801
  443   1HB   GLU  59          HB2       GLU  59  -2.145  -4.768  11.736
  444   2HB   GLU  59          HB3       GLU  59  -1.279  -4.862  13.267
  445   1HG   GLU  59          HG2       GLU  59  -1.147  -2.444  11.413
  446   2HG   GLU  59          HG3       GLU  59  -2.254  -2.607  12.789
  447    H    ASP  60           H        ASP  60  -1.452  -6.875  11.269
  448    HA   ASP  60           HA       ASP  60  -0.961  -9.006  12.732
  449   1HB   ASP  60          HB2       ASP  60  -2.577  -8.973  10.865
  450   2HB   ASP  60          HB3       ASP  60  -1.263  -8.832   9.724
  451    H    HIS  61           H        HIS  61   0.929  -8.499   9.718
  452    HA   HIS  61           HA       HIS  61   2.713 -10.641  10.116
  453   1HB   HIS  61          HB2       HIS  61   2.975  -8.041   8.585
  454   2HB   HIS  61          HB3       HIS  61   4.182  -9.331   8.507
  455    HD1  HIS  61           HD1      HIS  61   0.527 -10.537   8.495
  456    HD2  HIS  61           HD2      HIS  61   3.727  -9.576   5.925
  457    HE1  HIS  61           HE1      HIS  61  -0.093 -11.411   6.194
  458    H    GLY  62           H        GLY  62   2.788  -7.506  11.669
  459   1HA   GLY  62          HA1       GLY  62   4.091  -6.810  13.416
  460   2HA   GLY  62          HA2       GLY  62   5.074  -8.276  13.296
  461    H    HIS  63           HN       HIS  63   4.370  -5.835  10.774
  462    HA   HIS  63           HA       HIS  63   6.997  -5.699   9.812
  463   1HB   HIS  63          HB2       HIS  63   4.581  -3.887   9.577
  464   2HB   HIS  63          HB3       HIS  63   6.126  -3.414   8.880
  465    HD1  HIS  63           HD1      HIS  63   3.308  -5.863   8.251
  466    HD2  HIS  63           HD2      HIS  63   7.084  -4.709   6.821
  467    HE1  HIS  63           HE1      HIS  63   3.513  -6.831   5.896
  468    H    SER  64           H        SER  64   8.728  -4.345  10.067
  469    HA   SER  64           HA       SER  64   9.316  -3.558  12.701
  470   1HB   SER  64          HB2       SER  64  11.383  -2.585  11.657
  471   2HB   SER  64          HB3       SER  64  11.015  -4.211  11.062
  472    HG   SER  64           HG       SER  64  10.817  -3.429   9.163
  473    H    THR  65           H        THR  65  10.067  -1.427  13.442
  474    HA   THR  65           HA       THR  65   8.444   0.890  13.177
  475    HB   THR  65           HB       THR  65  10.917   1.777  13.897
  476    HG1  THR  65           HG1      THR  65  12.073  -0.145  13.333
  477   1HG2  THR  65          HG21      THR  65   9.004   1.579  15.452
  478   2HG2  THR  65          HG22      THR  65   9.295  -0.171  15.602
  479   3HG2  THR  65          HG23      THR  65  10.500   0.988  16.204
  480    H    ASP  66           H        ASP  66  11.340  -0.258  11.478
  481    HA   ASP  66           HA       ASP  66  11.844   2.024   9.985
  482   1HB   ASP  66          HB2       ASP  66  12.537  -0.881   9.343
  483   2HB   ASP  66          HB3       ASP  66  13.429   0.568   8.866
  484    H    ALA  67           H        ALA  67  10.084  -0.977   9.148
  485    HA   ALA  67           HA       ALA  67   9.314  -0.302   6.507
  486   1HB   ALA  67          HB1       ALA  67   9.187  -2.597   7.336
  487   2HB   ALA  67          HB2       ALA  67   8.049  -2.119   8.603
  488   3HB   ALA  67          HB3       ALA  67   7.548  -2.063   6.905
  489    H    ARG  68           H        ARG  68   7.766   0.051   9.679
  490    HA   ARG  68           HA       ARG  68   5.408   1.442   9.029
  491   1HB   ARG  68          HB2       ARG  68   7.217   1.068  11.344
  492   2HB   ARG  68          HB3       ARG  68   6.174   2.441  11.517
  493   1HG   ARG  68          HG2       ARG  68   4.212   1.036  11.206
  494   2HG   ARG  68          HG3       ARG  68   5.200  -0.350  10.690
  495   1HD   ARG  68          HD2       ARG  68   6.055  -0.748  12.849
  496   2HD   ARG  68          HD3       ARG  68   5.632   0.867  13.417
  497    HE   ARG  68           HE       ARG  68   3.318   0.338  13.451
  498   1HH1  ARG  68          HH22      ARG  68   5.260  -2.692  13.007
  499   2HH1  ARG  68          HH21      ARG  68   4.056  -3.614  13.839
  500   1HH2  ARG  68          HH11      ARG  68   1.668  -1.092  14.046
  501   2HH2  ARG  68          HH12      ARG  68   1.966  -2.664  14.415
  502    H    GLU  69           H        GLU  69   8.627   2.886   9.796
  503    HA   GLU  69           HA       GLU  69   7.950   5.560   9.327
  504   1HB   GLU  69          HB2       GLU  69  10.138   4.382  10.270
  505   2HB   GLU  69          HB3       GLU  69  10.685   4.479   8.599
  506   1HG   GLU  69          HG2       GLU  69  11.479   6.403   9.856
  507   2HG   GLU  69          HG3       GLU  69  10.267   6.970   8.695
  508    H    LEU  70           H        LEU  70   9.329   3.142   7.097
  509    HA   LEU  70           HA       LEU  70   9.283   4.639   4.776
  510   1HB   LEU  70          HB2       LEU  70   9.338   1.758   5.479
  511   2HB   LEU  70          HB3       LEU  70   8.458   1.987   4.038
  512    HG   LEU  70           HG       LEU  70  10.571   1.601   3.256
  513   1HD1  LEU  70          HD11      LEU  70  11.050   4.573   3.508
  514   2HD1  LEU  70          HD12      LEU  70  11.323   3.494   2.131
  515   3HD1  LEU  70          HD13      LEU  70   9.668   3.982   2.575
  516   1HD2  LEU  70          HD21      LEU  70  11.688   3.274   5.536
  517   2HD2  LEU  70          HD22      LEU  70  11.677   1.501   5.407
  518   3HD2  LEU  70          HD23      LEU  70  12.655   2.462   4.282
  519    H    SER  71           H        SER  71   6.623   2.886   6.279
  520    HA   SER  71           HA       SER  71   4.655   3.204   4.244
  521   1HB   SER  71          HB2       SER  71   4.761   1.837   6.591
  522   2HB   SER  71          HB3       SER  71   3.874   3.263   7.163
  523    HG   SER  71           HG       SER  71   2.591   1.475   6.356
  524    H    LYS  72           H        LYS  72   5.780   5.356   6.824
  525    HA   LYS  72           HA       LYS  72   3.655   7.292   6.538
  526   1HB   LYS  72          HB2       LYS  72   6.534   7.965   7.275
  527   2HB   LYS  72          HB3       LYS  72   5.065   8.870   7.637
  528   1HG   LYS  72          HG2       LYS  72   4.275   6.960   9.029
  529   2HG   LYS  72          HG3       LYS  72   5.807   6.130   8.725
  530   1HD   LYS  72          HD2       LYS  72   7.028   8.142   9.567
  531   2HD   LYS  72          HD3       LYS  72   5.495   8.839  10.113
  532   1HE   LYS  72          HE2       LYS  72   5.191   7.061  11.759
  533   2HE   LYS  72          HE3       LYS  72   6.455   6.082  11.002
  534   1HZ   LYS  72          HZ1       LYS  72   7.844   6.918  12.389
  535   2HZ   LYS  72          HZ2       LYS  72   7.838   8.238  11.565
  536   3HZ   LYS  72          HZ3       LYS  72   6.854   8.175  12.915
  537    H    THR  73           H        THR  73   6.934   7.095   5.173
  538    HA   THR  73           HA       THR  73   6.469   9.405   3.492
  539    HB   THR  73           HB       THR  73   8.753   8.697   4.204
  540    HG1  THR  73           HG1      THR  73   8.044   9.294   1.534
  541   1HG2  THR  73          HG21      THR  73  10.024   7.247   2.668
  542   2HG2  THR  73          HG22      THR  73   8.816   6.371   3.608
  543   3HG2  THR  73          HG23      THR  73   8.519   6.719   1.891
  544    H    PHE  74           H        PHE  74   5.623   6.051   3.059
  545    HA   PHE  74           HA       PHE  74   5.117   6.328   0.190
  546   1HB   PHE  74          HB2       PHE  74   4.106   4.288   2.182
  547   2HB   PHE  74          HB3       PHE  74   3.998   4.169   0.434
  548    HD1  PHE  74           HD1      PHE  74   7.056   5.280   0.110
  549    HD2  PHE  74           HD2      PHE  74   5.064   2.031   2.126
  550    HE1  PHE  74           HE1      PHE  74   9.108   3.920  -0.041
  551    HE2  PHE  74           HE2      PHE  74   7.021   0.587   1.658
  552    HZ   PHE  74           HZ       PHE  74   9.143   1.615   0.930
  553    H    ILE  75           H        ILE  75   3.380   7.330   3.041
  554    HA   ILE  75           HA       ILE  75   0.760   7.121   2.026
  555    HB   ILE  75           HB       ILE  75   1.945   9.208   3.859
  556   1HG1  ILE  75          HG12      ILE  75  -0.186   7.062   4.290
  557   2HG1  ILE  75          HG13      ILE  75   1.519   6.732   4.388
  558   1HG2  ILE  75          HG21      ILE  75   0.096  10.375   2.734
  559   2HG2  ILE  75          HG22      ILE  75  -0.966   8.966   2.963
  560   3HG2  ILE  75          HG23      ILE  75  -0.407   9.918   4.351
  561   1HD1  ILE  75          HD11      ILE  75   0.735   7.127   6.639
  562   2HD1  ILE  75          HD12      ILE  75   1.727   8.525   6.175
  563   3HD1  ILE  75          HD13      ILE  75  -0.042   8.648   6.173
  564    H    ILE  76           H        ILE  76  -0.312   7.986   0.429
  565    HA   ILE  76           HA       ILE  76   0.669  10.472  -0.958
  566    HB   ILE  76           HB       ILE  76  -0.299   9.344  -3.019
  567   1HG1  ILE  76          HG12      ILE  76   0.105   6.744  -1.508
  568   2HG1  ILE  76          HG13      ILE  76  -1.465   7.549  -1.428
  569   1HG2  ILE  76          HG21      ILE  76   1.718   8.065  -3.484
  570   2HG2  ILE  76          HG22      ILE  76   2.103   9.573  -2.647
  571   3HG2  ILE  76          HG23      ILE  76   2.136   8.040  -1.762
  572   1HD1  ILE  76          HD11      ILE  76  -0.363   7.085  -4.161
  573   2HD1  ILE  76          HD12      ILE  76  -0.987   5.703  -3.221
  574   3HD1  ILE  76          HD13      ILE  76  -2.038   7.073  -3.557
  575    H    GLY  77           H        GLY  77  -1.964   9.051   0.777
  576   1HA   GLY  77          HA1       GLY  77  -4.090  10.868  -0.388
  577   2HA   GLY  77          HA2       GLY  77  -4.015   9.208  -0.907
  578    H    GLU  78           H        GLU  78  -6.225   9.743   0.158
  579    HA   GLU  78           HA       GLU  78  -6.092   7.718   2.180
  580   1HB   GLU  78          HB2       GLU  78  -8.107  10.044   2.344
  581   2HB   GLU  78          HB3       GLU  78  -8.076   8.639   3.392
  582   1HG   GLU  78          HG2       GLU  78  -5.863   9.271   4.316
  583   2HG   GLU  78          HG3       GLU  78  -5.899  10.781   3.426
  584    H    LEU  79           H        LEU  79  -8.028   6.528   2.187
  585    HA   LEU  79           HA       LEU  79  -9.591   6.260  -0.232
  586   1HB   LEU  79          HB2       LEU  79  -9.451   4.538   1.593
  587   2HB   LEU  79          HB3       LEU  79 -10.212   5.678   2.700
  588    HG   LEU  79           HG       LEU  79 -12.218   5.749   1.287
  589   1HD1  LEU  79          HD11      LEU  79 -12.498   3.907  -0.450
  590   2HD1  LEU  79          HD12      LEU  79 -11.398   5.189  -0.950
  591   3HD1  LEU  79          HD13      LEU  79 -10.754   3.633  -0.364
  592   1HD2  LEU  79          HD21      LEU  79 -11.976   4.092   3.149
  593   2HD2  LEU  79          HD22      LEU  79 -13.142   3.671   1.885
  594   3HD2  LEU  79          HD23      LEU  79 -11.535   2.869   1.934
  595    H    HIS  80           H        HIS  80 -11.155   7.554  -0.969
  596    HA   HIS  80           HA       HIS  80 -11.575   9.997  -0.009
  597   1HB   HIS  80          HB2       HIS  80 -12.131   8.969  -2.230
  598   2HB   HIS  80          HB3       HIS  80 -13.650   8.394  -1.542
  599    HD1  HIS  80           HD1      HIS  80 -15.509  10.154  -2.327
  600    HD2  HIS  80           HD2      HIS  80 -11.675  11.701  -1.590
  601    HE1  HIS  80           HE1      HIS  80 -15.680  12.668  -2.731
  602    HA   PRO  81           HA       PRO  81 -14.472   9.661   3.250
  603   1HB   PRO  81          HB2       PRO  81 -15.946  12.136   2.197
  604   2HB   PRO  81          HB3       PRO  81 -15.415  11.850   3.855
  605   1HG   PRO  81          HG2       PRO  81 -13.999  13.504   2.155
  606   2HG   PRO  81          HG3       PRO  81 -13.075  12.326   3.131
  607   1HD   PRO  81          HD2       PRO  81 -14.119  12.044   0.310
  608   2HD   PRO  81          HD3       PRO  81 -12.441  11.786   0.879
  609    H    ASP  82           H        ASP  82 -16.093  10.492   0.229
  610    HA   ASP  82           HA       ASP  82 -18.622   9.674   1.010
  611   1HB   ASP  82          HB2       ASP  82 -17.904  10.956  -1.083
  612   2HB   ASP  82          HB3       ASP  82 -17.397   9.396  -1.777
  613    H    ASP  83           H        ASP  83 -15.876   7.813   0.836
  614    HA   ASP  83           HA       ASP  83 -16.864   5.228  -0.074
  615   1HB   ASP  83          HB2       ASP  83 -14.384   6.955   0.081
  616   2HB   ASP  83          HB3       ASP  83 -14.090   5.293   0.384
  617    H    ARG  84           H        ARG  84 -16.719   6.971   2.850
  618    HA   ARG  84           HA       ARG  84 -15.939   4.591   4.469
  619   1HB   ARG  84          HB2       ARG  84 -15.047   7.490   4.739
  620   2HB   ARG  84          HB3       ARG  84 -14.955   6.316   6.060
  621   1HG   ARG  84          HG2       ARG  84 -13.505   4.858   4.795
  622   2HG   ARG  84          HG3       ARG  84 -13.615   5.893   3.361
  623   1HD   ARG  84          HD2       ARG  84 -12.478   6.809   6.043
  624   2HD   ARG  84          HD3       ARG  84 -11.497   6.164   4.702
  625    HE   ARG  84           HE       ARG  84 -12.948   8.109   3.476
  626   1HH1  ARG  84          HH22      ARG  84 -10.377   7.916   5.889
  627   2HH1  ARG  84          HH21      ARG  84  -9.711   9.486   5.455
  628   1HH2  ARG  84          HH11      ARG  84 -12.322  10.321   3.276
  629   2HH2  ARG  84          HH12      ARG  84 -10.908  10.922   4.093
  630    HHA  HEM 201           HGM      HEM 201   9.445  -8.949   5.332
  631    HHB  HEM 201           HDM      HEM 201   9.010  -2.585   4.617
  632    HHC  HEM 201           HAM      HEM 201   2.807  -3.206   3.009
  633    HHD  HEM 201           HBM      HEM 201   3.426  -9.637   3.167
  634   1HMA  HEM 201          HM81      HEM 201  11.251  -3.240   4.612
  635   2HMA  HEM 201          HM82      HEM 201  11.149  -3.518   6.365
  636   3HMA  HEM 201          HM83      HEM 201  12.228  -4.497   5.361
  637   1HAA  HEM 201          HP71      HEM 201  11.306  -8.057   6.121
  638   2HAA  HEM 201          HP72      HEM 201  12.099  -6.443   6.439
  639   1HBA  HEM 201          HP73      HEM 201  11.349  -7.513   8.504
  640   2HBA  HEM 201          HP74      HEM 201   9.628  -7.515   7.867
  641   1HMB  HEM 201          HM11      HEM 201   8.150  -0.516   3.326
  642   2HMB  HEM 201          HM12      HEM 201   6.690   0.330   3.883
  643   3HMB  HEM 201          HM13      HEM 201   7.699  -0.529   5.026
  644    HAB  HEM 201          HT2A      HEM 201   3.589  -1.227   2.195
  645   1HBB  HEM 201          HV2C      HEM 201   4.602   0.691   4.242
  646   2HBB  HEM 201          HV2T      HEM 201   2.862   0.510   3.538
  647   1HMC  HEM 201          HM31      HEM 201   0.413  -4.563   3.469
  648   2HMC  HEM 201          HM32      HEM 201   1.064  -4.219   1.872
  649   3HMC  HEM 201          HM33      HEM 201   0.043  -5.651   2.096
  650    HAC  HEM 201          HT4A      HEM 201   1.029  -8.997   3.342
  651   1HBC  HEM 201          HV4C      HEM 201   0.849  -7.768   0.578
  652   2HBC  HEM 201          HV4T      HEM 201   0.547  -9.539   1.081
  653   1HMD  HEM 201          HM51      HEM 201   5.231 -12.014   2.812
  654   2HMD  HEM 201          HM52      HEM 201   5.596 -12.469   4.493
  655   3HMD  HEM 201          HM53      HEM 201   4.114 -11.594   4.133
  656   1HAD  HEM 201          HP61      HEM 201   7.837 -12.231   4.018
  657   2HAD  HEM 201          HP62      HEM 201   9.189 -11.034   4.248
  658   1HBD  HEM 201          HP63      HEM 201   7.381 -11.888   6.550
  659   2HBD  HEM 201          HP64      HEM 201   8.834 -12.880   6.015
  Start of MODEL    9
    1   1H    ALA   3          H1        ALA   3  -5.275  21.561   1.602
    2   2H    ALA   3          H2        ALA   3  -6.183  22.732   2.385
    3   3H    ALA   3          H3        ALA   3  -5.060  21.809   3.200
    4    HA   ALA   3           HA       ALA   3  -7.608  20.955   2.059
    5   1HB   ALA   3          HB1       ALA   3  -7.982  19.970   4.278
    6   2HB   ALA   3          HB2       ALA   3  -6.344  20.424   4.793
    7   3HB   ALA   3          HB3       ALA   3  -7.562  21.677   4.460
    8    H    VAL   4           H        VAL   4  -7.560  18.308   3.032
    9    HA   VAL   4           HA       VAL   4  -5.234  16.958   1.877
   10    HB   VAL   4           HB       VAL   4  -6.528  14.939   2.212
   11   1HG1  VAL   4          HG11      VAL   4  -6.768  16.672   4.671
   12   2HG1  VAL   4          HG12      VAL   4  -6.762  14.893   4.559
   13   3HG1  VAL   4          HG13      VAL   4  -5.314  15.797   4.104
   14   1HG2  VAL   4          HG21      VAL   4  -8.796  15.517   1.654
   15   2HG2  VAL   4          HG22      VAL   4  -8.795  15.085   3.365
   16   3HG2  VAL   4          HG23      VAL   4  -8.871  16.783   2.902
   17    H    LYS   5           H        LYS   5  -6.278  15.082   0.244
   18    HA   LYS   5           HA       LYS   5  -7.926  16.413  -1.867
   19   1HB   LYS   5          HB2       LYS   5  -5.849  14.213  -2.197
   20   2HB   LYS   5          HB3       LYS   5  -6.987  14.784  -3.433
   21   1HG   LYS   5          HG2       LYS   5  -5.962  17.109  -3.129
   22   2HG   LYS   5          HG3       LYS   5  -4.686  16.345  -2.174
   23   1HD   LYS   5          HD2       LYS   5  -5.431  15.727  -5.074
   24   2HD   LYS   5          HD3       LYS   5  -4.030  16.673  -4.546
   25   1HE   LYS   5          HE2       LYS   5  -3.084  14.666  -3.402
   26   2HE   LYS   5          HE3       LYS   5  -4.498  13.722  -3.879
   27   1HZ   LYS   5          HZ1       LYS   5  -3.884  14.137  -6.194
   28   2HZ   LYS   5          HZ2       LYS   5  -2.466  14.817  -5.689
   29   3HZ   LYS   5          HZ3       LYS   5  -2.814  13.238  -5.347
   30    H    TYR   6           H        TYR   6  -6.808  13.423  -0.354
   31    HA   TYR   6           HA       TYR   6  -7.687  11.425   0.056
   32   1HB   TYR   6          HB2       TYR   6 -10.494  12.747   0.145
   33   2HB   TYR   6          HB3       TYR   6 -10.071  11.082   0.184
   34    HD1  TYR   6           HD1      TYR   6  -7.821  13.191   2.217
   35    HD2  TYR   6           HD2      TYR   6 -11.366  10.866   2.021
   36    HE1  TYR   6           HE1      TYR   6  -7.653  12.688   4.640
   37    HE2  TYR   6           HE2      TYR   6 -10.614   9.651   4.021
   38    HH   TYR   6           HH       TYR   6  -9.577  10.087   6.112
   39    H    TYR   7           H        TYR   7  -8.466   9.741  -0.888
   40    HA   TYR   7           HA       TYR   7  -8.691   9.798  -3.830
   41   1HB   TYR   7          HB2       TYR   7  -6.654   9.065  -1.843
   42   2HB   TYR   7          HB3       TYR   7  -7.086   7.698  -2.628
   43    HD1  TYR   7           HD1      TYR   7  -4.543   7.850  -3.147
   44    HD2  TYR   7           HD2      TYR   7  -7.181  10.957  -4.591
   45    HE1  TYR   7           HE1      TYR   7  -2.629   9.114  -4.057
   46    HE2  TYR   7           HE2      TYR   7  -5.309  12.155  -5.478
   47    HH   TYR   7           HH       TYR   7  -2.093  11.323  -4.303
   48    H    THR   8           H        THR   8  -9.954   8.390  -4.718
   49    HA   THR   8           HA       THR   8 -11.989   7.302  -2.929
   50    HB   THR   8           HB       THR   8 -13.170   7.023  -5.181
   51    HG1  THR   8           HG1      THR   8 -12.087   8.213  -6.873
   52   1HG2  THR   8          HG21      THR   8 -13.530   9.450  -5.409
   53   2HG2  THR   8          HG22      THR   8 -13.458   9.001  -3.689
   54   3HG2  THR   8          HG23      THR   8 -12.056   9.774  -4.475
   55    H    LEU   9           H        LEU   9 -12.380   5.084  -2.554
   56    HA   LEU   9           HA       LEU   9 -10.921   2.944  -3.300
   57   1HB   LEU   9          HB2       LEU   9 -12.598   2.505  -2.045
   58   2HB   LEU   9          HB3       LEU   9 -13.855   3.331  -2.955
   59    HG   LEU   9           HG       LEU   9 -12.489   0.782  -3.990
   60   1HD1  LEU   9          HD11      LEU   9 -14.780   0.910  -1.992
   61   2HD1  LEU   9          HD12      LEU   9 -14.257  -0.551  -2.860
   62   3HD1  LEU   9          HD13      LEU   9 -13.159   0.234  -1.721
   63   1HD2  LEU   9          HD21      LEU   9 -15.322   1.896  -4.330
   64   2HD2  LEU   9          HD22      LEU   9 -14.074   1.850  -5.590
   65   3HD2  LEU   9          HD23      LEU   9 -14.748   0.349  -4.982
   66    H    GLU  10           H        GLU  10 -13.291   4.422  -5.538
   67    HA   GLU  10           HA       GLU  10 -13.033   3.022  -7.836
   68   1HB   GLU  10          HB2       GLU  10 -14.297   5.141  -7.515
   69   2HB   GLU  10          HB3       GLU  10 -12.797   6.059  -7.567
   70   1HG   GLU  10          HG2       GLU  10 -13.953   6.203  -9.698
   71   2HG   GLU  10          HG3       GLU  10 -12.420   5.356  -9.911
   72    H    GLU  11           H        GLU  11 -10.709   5.593  -6.900
   73    HA   GLU  11           HA       GLU  11  -8.794   4.984  -9.015
   74   1HB   GLU  11          HB2       GLU  11  -8.594   6.453  -6.294
   75   2HB   GLU  11          HB3       GLU  11  -7.273   6.337  -7.404
   76   1HG   GLU  11          HG2       GLU  11  -9.933   7.558  -8.255
   77   2HG   GLU  11          HG3       GLU  11  -8.720   8.484  -7.360
   78    H    ILE  12           H        ILE  12  -9.088   4.228  -5.547
   79    HA   ILE  12           HA       ILE  12  -6.498   3.298  -5.439
   80    HB   ILE  12           HB       ILE  12  -8.766   2.506  -3.554
   81   1HG1  ILE  12          HG12      ILE  12  -6.707   4.657  -2.949
   82   2HG1  ILE  12          HG13      ILE  12  -8.145   5.093  -3.836
   83   1HG2  ILE  12          HG21      ILE  12  -6.801   1.080  -3.204
   84   2HG2  ILE  12          HG22      ILE  12  -5.754   2.521  -3.142
   85   3HG2  ILE  12          HG23      ILE  12  -6.929   2.209  -1.862
   86   1HD1  ILE  12          HD11      ILE  12  -8.115   3.809  -1.058
   87   2HD1  ILE  12          HD12      ILE  12  -8.457   5.486  -1.458
   88   3HD1  ILE  12          HD13      ILE  12  -9.566   4.219  -1.980
   89    H    GLN  13           H        GLU  13  -9.459   1.445  -6.198
   90    HA   GLN  13           HA       GLU  13  -8.340  -1.174  -6.049
   91   1HB   GLN  13          HB2       GLU  13  -9.882  -0.552  -8.577
   92   2HB   GLN  13          HB3       GLU  13  -9.947  -1.952  -7.567
   93   1HG   GLN  13          HG2       GLU  13 -11.480  -0.646  -6.033
   94   2HG   GLN  13          HG3       GLU  13 -11.283   0.740  -7.142
   95    H    LYS  14           H        LYS  14  -8.215   1.359  -8.371
   96    HA   LYS  14           HA       LYS  14  -7.716  -0.234 -10.623
   97   1HB   LYS  14          HB2       LYS  14  -8.931   2.097 -10.062
   98   2HB   LYS  14          HB3       LYS  14  -7.385   2.793 -10.410
   99   1HG   LYS  14          HG2       LYS  14  -8.742   3.010 -12.296
  100   2HG   LYS  14          HG3       LYS  14  -7.613   1.704 -12.708
  101   1HD   LYS  14          HD2       LYS  14  -9.631   0.859 -13.469
  102   2HD   LYS  14          HD3       LYS  14  -9.544   0.068 -11.904
  103   1HE   LYS  14          HE2       LYS  14 -11.098   2.669 -12.397
  104   2HE   LYS  14          HE3       LYS  14 -11.794   1.077 -12.693
  105   1HZ   LYS  14          HZ1       LYS  14 -11.652   0.574 -10.334
  106   2HZ   LYS  14          HZ2       LYS  14 -10.912   2.020 -10.039
  107   3HZ   LYS  14          HZ3       LYS  14 -12.408   1.989 -10.608
  108    H    HIS  15           H        HIS  15  -5.816   1.924  -8.581
  109    HA   HIS  15           HA       HIS  15  -3.244   1.431  -9.907
  110   1HB   HIS  15          HB2       HIS  15  -4.046   2.679  -7.269
  111   2HB   HIS  15          HB3       HIS  15  -2.376   2.430  -7.837
  112    HD1  HIS  15           HD1      HIS  15  -1.516   4.721  -8.598
  113    HD2  HIS  15           HD2      HIS  15  -5.533   4.044  -9.590
  114    HE1  HIS  15           HE1      HIS  15  -2.236   6.668 -10.086
  115    H    ASN  16           H        ASN  16  -3.816  -0.899  -9.935
  116    HA   ASN  16           HA       ASN  16  -2.152  -2.175  -7.813
  117   1HB   ASN  16          HB2       ASN  16  -3.516  -4.098  -7.594
  118   2HB   ASN  16          HB3       ASN  16  -4.517  -2.685  -7.250
  119   1HD2  ASN  16          HD21      ASN  16  -5.946  -4.837  -7.673
  120   2HD2  ASN  16          HD22      ASN  16  -6.625  -4.889  -9.291
  121    H    ASN  17           H        ASN  17  -1.392  -1.128 -10.415
  122    HA   ASN  17           HA       ASN  17  -1.087  -3.549 -12.062
  123   1HB   ASN  17          HB2       ASN  17  -3.237  -2.165 -12.492
  124   2HB   ASN  17          HB3       ASN  17  -2.165  -0.902 -13.082
  125   1HD2  ASN  17          HD21      ASN  17  -3.706  -3.957 -13.761
  126   2HD2  ASN  17          HD22      ASN  17  -3.026  -4.185 -15.363
  127    H    SER  18           H        SER  18   0.120  -2.574 -14.086
  128    HA   SER  18           HA       SER  18   2.793  -1.802 -13.111
  129   1HB   SER  18          HB2       SER  18   1.817  -2.544 -15.908
  130   2HB   SER  18          HB3       SER  18   3.502  -2.437 -15.358
  131    HG   SER  18           HG       SER  18   3.036  -4.148 -13.901
  132    H    LYS  19           H        LYS  19   1.671   0.113 -12.426
  133    HA   LYS  19           HA       LYS  19   1.394   2.448 -14.185
  134   1HB   LYS  19          HB2       LYS  19  -0.921   1.010 -12.745
  135   2HB   LYS  19          HB3       LYS  19  -1.035   2.633 -13.383
  136   1HG   LYS  19          HG2       LYS  19  -0.583   0.147 -15.043
  137   2HG   LYS  19          HG3       LYS  19  -2.131   0.904 -14.766
  138   1HD   LYS  19          HD2       LYS  19  -1.769   2.770 -16.010
  139   2HD   LYS  19          HD3       LYS  19  -0.018   2.748 -15.867
  140   1HE   LYS  19          HE2       LYS  19  -1.511   0.593 -17.417
  141   2HE   LYS  19          HE3       LYS  19  -1.069   2.136 -18.162
  142   1HZ   LYS  19          HZ1       LYS  19   0.585   0.358 -18.485
  143   2HZ   LYS  19          HZ2       LYS  19   1.201   1.706 -17.769
  144   3HZ   LYS  19          HZ3       LYS  19   0.911   0.384 -16.865
  145    H    SER  20           H        SER  20   0.386   0.890 -11.116
  146    HA   SER  20           HA       SER  20   2.198   1.929  -9.434
  147   1HB   SER  20          HB2       SER  20  -0.097   3.783  -9.833
  148   2HB   SER  20          HB3       SER  20   0.215   3.336  -8.138
  149    HG   SER  20           HG       SER  20   1.808   4.628  -8.139
  150    H    THR  21           H        THR  21   1.794   0.979  -7.412
  151    HA   THR  21           HA       THR  21  -0.627  -0.749  -7.118
  152    HB   THR  21           HB       THR  21   2.224  -1.304  -6.246
  153    HG1  THR  21           HG1      THR  21   1.633  -1.501  -8.529
  154   1HG2  THR  21          HG21      THR  21   1.359  -3.550  -5.676
  155   2HG2  THR  21          HG22      THR  21   0.549  -2.318  -4.688
  156   3HG2  THR  21          HG23      THR  21  -0.278  -3.033  -6.100
  157    H    TRP  22           H        TRP  22  -1.913   0.080  -5.651
  158    HA   TRP  22           HA       TRP  22  -0.945   1.911  -3.532
  159   1HB   TRP  22          HB2       TRP  22  -3.418   1.692  -5.238
  160   2HB   TRP  22          HB3       TRP  22  -3.517   2.489  -3.712
  161    HD1  TRP  22           HD1      TRP  22  -0.279   3.111  -5.485
  162    HE1  TRP  22           HE1      TRP  22  -0.181   5.356  -6.536
  163    HE3  TRP  22           HE3      TRP  22  -5.056   4.508  -4.532
  164    HZ2  TRP  22           HZ2      TRP  22  -2.161   7.511  -7.212
  165    HZ3  TRP  22           HZ3      TRP  22  -5.997   6.587  -5.497
  166    HH2  TRP  22           HH2      TRP  22  -4.607   8.031  -6.938
  167    H    LEU  23           H        LEU  23  -1.873   1.626  -1.342
  168    HA   LEU  23           HA       LEU  23  -4.052  -0.303  -1.091
  169   1HB   LEU  23          HB2       LEU  23  -2.489  -1.228   1.008
  170   2HB   LEU  23          HB3       LEU  23  -2.876  -2.015  -0.490
  171    HG   LEU  23           HG       LEU  23  -0.692  -1.065  -1.476
  172   1HD1  LEU  23          HD11      LEU  23   0.951  -0.320   0.047
  173   2HD1  LEU  23          HD12      LEU  23  -0.520   0.534   0.540
  174   3HD1  LEU  23          HD13      LEU  23   0.035  -0.892   1.459
  175   1HD2  LEU  23          HD21      LEU  23  -0.650  -3.108   0.756
  176   2HD2  LEU  23          HD22      LEU  23  -0.982  -3.422  -0.959
  177   3HD2  LEU  23          HD23      LEU  23   0.624  -2.866  -0.452
  178    H    ILE  24           H        ILE  24  -5.089  -0.294   0.960
  179    HA   ILE  24           HA       ILE  24  -4.768   2.288   2.419
  180    HB   ILE  24           HB       ILE  24  -6.853   0.140   3.013
  181   1HG1  ILE  24          HG12      ILE  24  -7.575   2.652   1.513
  182   2HG1  ILE  24          HG13      ILE  24  -7.101   1.145   0.726
  183   1HG2  ILE  24          HG21      ILE  24  -6.692   3.007   3.894
  184   2HG2  ILE  24          HG22      ILE  24  -7.947   1.813   4.334
  185   3HG2  ILE  24          HG23      ILE  24  -6.313   1.588   4.886
  186   1HD1  ILE  24          HD11      ILE  24  -8.832  -0.151   1.732
  187   2HD1  ILE  24          HD12      ILE  24  -9.469   1.285   2.547
  188   3HD1  ILE  24          HD13      ILE  24  -9.474   1.199   0.785
  189    H    LEU  25           H        LEU  25  -3.535   2.404   4.026
  190    HA   LEU  25           HA       LEU  25  -3.448   0.159   5.991
  191   1HB   LEU  25          HB2       LEU  25  -1.321   1.843   4.819
  192   2HB   LEU  25          HB3       LEU  25  -1.220   1.535   6.569
  193    HG   LEU  25           HG       LEU  25  -1.421  -0.924   6.125
  194   1HD1  LEU  25          HD11      LEU  25  -1.179  -0.009   3.253
  195   2HD1  LEU  25          HD12      LEU  25  -0.572  -1.604   3.769
  196   3HD1  LEU  25          HD13      LEU  25  -2.268  -1.212   3.992
  197   1HD2  LEU  25          HD21      LEU  25   1.025   0.306   4.854
  198   2HD2  LEU  25          HD22      LEU  25   0.754   0.147   6.600
  199   3HD2  LEU  25          HD23      LEU  25   0.878  -1.279   5.540
  200    H    HIS  26           H        HIS  26  -4.844   0.878   7.485
  201    HA   HIS  26           HA       HIS  26  -5.790   2.218   9.092
  202   1HB   HIS  26          HB2       HIS  26  -3.291   3.928   8.968
  203   2HB   HIS  26          HB3       HIS  26  -4.385   3.668  10.323
  204    HD1  HIS  26           HD1      HIS  26  -4.159   1.099  11.469
  205    HD2  HIS  26           HD2      HIS  26  -1.169   2.412   8.811
  206    HE1  HIS  26           HE1      HIS  26  -2.122  -0.350  11.902
  207    H    TYR  27           H        TYR  27  -6.667   2.842   6.561
  208    HA   TYR  27           HA       TYR  27  -7.943   4.374   5.525
  209   1HB   TYR  27          HB2       TYR  27  -8.102   5.097   8.231
  210   2HB   TYR  27          HB3       TYR  27  -7.634   6.577   7.409
  211    HD1  TYR  27           HD1      TYR  27 -10.367   4.213   7.975
  212    HD2  TYR  27           HD2      TYR  27  -9.070   7.764   5.901
  213    HE1  TYR  27           HE1      TYR  27 -12.684   5.079   7.990
  214    HE2  TYR  27           HE2      TYR  27 -11.404   8.630   5.953
  215    HH   TYR  27           HH       TYR  27 -14.038   6.641   6.670
  216    H    LYS  28           H        LYS  28  -4.654   4.724   5.766
  217    HA   LYS  28           HA       LYS  28  -4.638   7.233   4.123
  218   1HB   LYS  28          HB2       LYS  28  -2.341   5.779   5.457
  219   2HB   LYS  28          HB3       LYS  28  -2.248   7.232   4.448
  220   1HG   LYS  28          HG2       LYS  28  -3.240   6.960   7.287
  221   2HG   LYS  28          HG3       LYS  28  -1.970   7.956   6.570
  222   1HD   LYS  28          HD2       LYS  28  -3.401   9.669   6.686
  223   2HD   LYS  28          HD3       LYS  28  -4.108   9.012   5.243
  224   1HE   LYS  28          HE2       LYS  28  -5.390   7.581   7.360
  225   2HE   LYS  28          HE3       LYS  28  -5.129   9.191   8.026
  226   1HZ   LYS  28          HZ1       LYS  28  -6.192  10.026   5.948
  227   2HZ   LYS  28          HZ2       LYS  28  -6.614   8.463   5.604
  228   3HZ   LYS  28          HZ3       LYS  28  -7.209   9.224   6.939
  229    H    VAL  29           H        VAL  29  -3.558   7.135   2.136
  230    HA   VAL  29           HA       VAL  29  -3.677   4.405   0.944
  231    HB   VAL  29           HB       VAL  29  -4.277   7.050  -0.358
  232   1HG1  VAL  29          HG11      VAL  29  -4.643   5.711  -2.380
  233   2HG1  VAL  29          HG12      VAL  29  -2.937   5.745  -1.918
  234   3HG1  VAL  29          HG13      VAL  29  -3.904   4.296  -1.597
  235   1HG2  VAL  29          HG21      VAL  29  -5.841   4.449  -0.258
  236   2HG2  VAL  29          HG22      VAL  29  -6.044   5.697   0.983
  237   3HG2  VAL  29          HG23      VAL  29  -6.407   6.076  -0.722
  238    H    TYR  30           H        TYR  30  -1.960   3.573   0.243
  239    HA   TYR  30           HA       TYR  30   0.631   5.045   0.393
  240   1HB   TYR  30          HB2       TYR  30  -0.597   2.520   1.449
  241   2HB   TYR  30          HB3       TYR  30   1.072   2.413   1.032
  242    HD1  TYR  30           HD1      TYR  30  -0.167   5.697   2.433
  243    HD2  TYR  30           HD2      TYR  30   1.232   1.757   3.358
  244    HE1  TYR  30           HE1      TYR  30  -0.085   6.288   4.815
  245    HE2  TYR  30           HE2      TYR  30   1.151   2.349   5.802
  246    HH   TYR  30           HH       TYR  30   1.701   4.286   7.067
  247    H    ASP  31           H        ASP  31   1.707   5.066  -1.516
  248    HA   ASP  31           HA       ASP  31   1.137   3.045  -3.644
  249   1HB   ASP  31          HB2       ASP  31   1.078   5.580  -4.166
  250   2HB   ASP  31          HB3       ASP  31   2.834   5.539  -3.858
  251    H    LEU  32           H        LEU  32   2.782   1.607  -4.051
  252    HA   LEU  32           HA       LEU  32   5.376   2.164  -2.646
  253   1HB   LEU  32          HB2       LEU  32   4.696  -0.694  -3.113
  254   2HB   LEU  32          HB3       LEU  32   5.602   0.107  -1.810
  255    HG   LEU  32           HG       LEU  32   2.608  -0.012  -2.041
  256   1HD1  LEU  32          HD11      LEU  32   2.861  -1.529  -0.092
  257   2HD1  LEU  32          HD12      LEU  32   3.873  -2.123  -1.424
  258   3HD1  LEU  32          HD13      LEU  32   4.610  -1.237  -0.073
  259   1HD2  LEU  32          HD21      LEU  32   2.573   1.764  -0.676
  260   2HD2  LEU  32          HD22      LEU  32   3.324   0.766   0.572
  261   3HD2  LEU  32          HD23      LEU  32   4.341   1.744  -0.512
  262    H    THR  33           H        THR  33   4.041   0.248  -5.329
  263    HA   THR  33           HA       THR  33   4.984  -0.519  -7.248
  264    HB   THR  33           HB       THR  33   5.323   2.497  -7.500
  265    HG1  THR  33           HG1      THR  33   3.359   2.359  -6.822
  266   1HG2  THR  33          HG21      THR  33   6.070   1.200  -9.513
  267   2HG2  THR  33          HG22      THR  33   4.513   0.341  -9.516
  268   3HG2  THR  33          HG23      THR  33   4.570   2.092  -9.813
  269    H    LYS  34           H        LYS  34   7.381   2.156  -6.711
  270    HA   LYS  34           HA       LYS  34   9.545   0.713  -7.938
  271   1HB   LYS  34          HB2       LYS  34  10.989   2.327  -6.898
  272   2HB   LYS  34          HB3       LYS  34   9.581   3.164  -7.566
  273   1HG   LYS  34          HG2       LYS  34   8.597   3.375  -5.307
  274   2HG   LYS  34          HG3       LYS  34   9.915   2.409  -4.617
  275   1HD   LYS  34          HD2       LYS  34  11.560   4.096  -5.380
  276   2HD   LYS  34          HD3       LYS  34  10.212   5.131  -5.913
  277   1HE   LYS  34          HE2       LYS  34   9.311   5.158  -3.591
  278   2HE   LYS  34          HE3       LYS  34  10.590   4.051  -3.062
  279   1HZ   LYS  34          HZ1       LYS  34  11.099   6.296  -2.493
  280   2HZ   LYS  34          HZ2       LYS  34  12.204   5.730  -3.567
  281   3HZ   LYS  34          HZ3       LYS  34  11.032   6.781  -4.063
  282    H    PHE  35           H        PHE  35   7.993   0.521  -4.843
  283    HA   PHE  35           HA       PHE  35  10.244  -0.576  -3.361
  284   1HB   PHE  35          HB2       PHE  35   8.187   0.828  -2.455
  285   2HB   PHE  35          HB3       PHE  35   7.278  -0.670  -2.764
  286    HD1  PHE  35           HD1      PHE  35   6.833  -1.939  -0.852
  287    HD2  PHE  35           HD2      PHE  35  10.536   0.276  -1.076
  288    HE1  PHE  35           HE1      PHE  35   7.571  -2.956   1.251
  289    HE2  PHE  35           HE2      PHE  35  11.304  -0.815   1.001
  290    HZ   PHE  35           HZ       PHE  35   9.911  -2.545   2.079
  291    H    LEU  36           H        LEU  36   7.745  -1.782  -5.446
  292    HA   LEU  36           HA       LEU  36   7.258  -4.358  -4.405
  293   1HB   LEU  36          HB2       LEU  36   7.458  -3.322  -7.269
  294   2HB   LEU  36          HB3       LEU  36   6.707  -4.807  -6.823
  295    HG   LEU  36           HG       LEU  36   5.691  -2.124  -5.917
  296   1HD1  LEU  36          HD11      LEU  36   4.583  -4.233  -7.826
  297   2HD1  LEU  36          HD12      LEU  36   3.832  -2.677  -7.445
  298   3HD1  LEU  36          HD13      LEU  36   5.359  -2.726  -8.346
  299   1HD2  LEU  36          HD21      LEU  36   5.181  -3.660  -4.163
  300   2HD2  LEU  36          HD22      LEU  36   3.726  -3.402  -5.129
  301   3HD2  LEU  36          HD23      LEU  36   4.659  -4.899  -5.329
  302    H    GLU  37           H        GLU  37   9.907  -3.164  -6.428
  303    HA   GLU  37           HA       GLU  37  11.442  -5.542  -6.714
  304   1HB   GLU  37          HB2       GLU  37  12.134  -2.571  -6.481
  305   2HB   GLU  37          HB3       GLU  37  13.325  -3.797  -6.852
  306   1HG   GLU  37          HG2       GLU  37  10.803  -3.316  -8.527
  307   2HG   GLU  37          HG3       GLU  37  12.380  -2.588  -8.857
  308    H    GLU  38           H        GLU  38  11.536  -2.966  -4.277
  309    HA   GLU  38           HA       GLU  38  13.850  -3.840  -2.894
  310   1HB   GLU  38          HB2       GLU  38  12.664  -1.524  -3.076
  311   2HB   GLU  38          HB3       GLU  38  11.617  -2.098  -1.780
  312   1HG   GLU  38          HG2       GLU  38  13.626  -2.372  -0.333
  313   2HG   GLU  38          HG3       GLU  38  14.648  -1.793  -1.665
  314    H    HIS  39           HN       HIS  39  10.415  -4.304  -2.344
  315    HA   HIS  39           HA       HIS  39  10.345  -4.892   0.324
  316   1HB   HIS  39          HB2       HIS  39   8.436  -4.295  -1.114
  317   2HB   HIS  39          HB3       HIS  39   8.524  -5.871  -1.898
  318    HD1  HIS  39           HD1      HIS  39   6.344  -7.019  -1.057
  319    HD2  HIS  39           HD2      HIS  39   8.559  -5.047   1.937
  320    HE1  HIS  39           HE1      HIS  39   5.132  -7.420   1.112
  321    HA   PRO  40           HA       PRO  40  12.161  -9.099   0.372
  322   1HB   PRO  40          HB2       PRO  40  10.972  -8.880   3.149
  323   2HB   PRO  40          HB3       PRO  40  12.519  -9.631   2.657
  324   1HG   PRO  40          HG2       PRO  40  12.585  -7.132   3.677
  325   2HG   PRO  40          HG3       PRO  40  13.468  -7.452   2.160
  326   1HD   PRO  40          HD2       PRO  40  10.697  -6.263   2.470
  327   2HD   PRO  40          HD3       PRO  40  12.088  -5.644   1.523
  328    H    GLY  41           H        GLY  41   8.867  -8.243   1.535
  329   1HA   GLY  41          HA1       GLY  41   7.725 -10.876   1.317
  330   2HA   GLY  41          HA2       GLY  41   6.869  -9.351   1.357
  331    H    GLY  42           H        GLY  42   8.808  -8.712  -1.187
  332   1HA   GLY  42          HA1       GLY  42   8.605  -8.795  -3.447
  333   2HA   GLY  42          HA2       GLY  42   7.756 -10.344  -3.279
  334    H    GLU  43           H        GLU  43   6.816  -9.100  -5.244
  335    HA   GLU  43           HA       GLU  43   4.764  -7.098  -4.611
  336   1HB   GLU  43          HB2       GLU  43   6.037  -6.821  -6.620
  337   2HB   GLU  43          HB3       GLU  43   5.730  -8.426  -7.199
  338   1HG   GLU  43          HG2       GLU  43   3.306  -7.941  -7.439
  339   2HG   GLU  43          HG3       GLU  43   3.606  -6.271  -6.923
  340    H    GLU  44           H        GLU  44   4.614 -10.366  -6.173
  341    HA   GLU  44           HA       GLU  44   2.068 -10.494  -6.695
  342   1HB   GLU  44          HB2       GLU  44   3.545 -12.829  -5.380
  343   2HB   GLU  44          HB3       GLU  44   2.098 -12.947  -6.389
  344   1HG   GLU  44          HG2       GLU  44   3.381 -11.920  -8.287
  345   2HG   GLU  44          HG3       GLU  44   4.850 -11.971  -7.292
  346    H    VAL  45           H        VAL  45   2.958 -11.829  -3.470
  347    HA   VAL  45           HA       VAL  45   0.353 -12.068  -2.472
  348    HB   VAL  45           HB       VAL  45   2.327 -13.103  -1.480
  349   1HG1  VAL  45          HG11      VAL  45   3.923 -11.169  -1.669
  350   2HG1  VAL  45          HG12      VAL  45   3.081 -10.385  -0.316
  351   3HG1  VAL  45          HG13      VAL  45   3.903 -11.932  -0.074
  352   1HG2  VAL  45          HG21      VAL  45   0.286 -12.850  -0.104
  353   2HG2  VAL  45          HG22      VAL  45   1.765 -12.835   0.877
  354   3HG2  VAL  45          HG23      VAL  45   0.912 -11.318   0.547
  355    H    LEU  46           H        LEU  46   2.437  -9.212  -2.583
  356    HA   LEU  46           HA       LEU  46   0.770  -7.601  -0.834
  357   1HB   LEU  46          HB2       LEU  46   3.176  -7.344  -0.939
  358   2HB   LEU  46          HB3       LEU  46   3.133  -6.891  -2.637
  359    HG   LEU  46           HG       LEU  46   1.417  -5.312  -0.785
  360   1HD1  LEU  46          HD11      LEU  46   4.432  -4.906  -0.921
  361   2HD1  LEU  46          HD12      LEU  46   3.257  -3.927  -0.010
  362   3HD1  LEU  46          HD13      LEU  46   3.556  -5.600   0.458
  363   1HD2  LEU  46          HD21      LEU  46   1.532  -4.802  -3.245
  364   2HD2  LEU  46          HD22      LEU  46   2.107  -3.457  -2.256
  365   3HD2  LEU  46          HD23      LEU  46   3.271  -4.530  -3.056
  366    H    ARG  47           H        ARG  47   1.040  -8.301  -4.272
  367    HA   ARG  47           HA       ARG  47  -0.452  -5.959  -5.093
  368   1HB   ARG  47          HB2       ARG  47   1.352  -7.042  -6.428
  369   2HB   ARG  47          HB3       ARG  47   0.283  -8.418  -6.726
  370   1HG   ARG  47          HG2       ARG  47  -1.293  -7.073  -7.927
  371   2HG   ARG  47          HG3       ARG  47  -0.578  -5.552  -7.353
  372   1HD   ARG  47          HD2       ARG  47   1.421  -5.872  -8.631
  373   2HD   ARG  47          HD3       ARG  47   0.958  -7.537  -9.047
  374    HE   ARG  47           HE       ARG  47  -0.977  -5.505  -9.905
  375   1HH1  ARG  47          HH22      ARG  47   2.201  -6.801 -10.757
  376   2HH1  ARG  47          HH21      ARG  47   1.898  -6.888 -12.463
  377   1HH2  ARG  47          HH11      ARG  47  -1.471  -5.720 -12.129
  378   2HH2  ARG  47          HH12      ARG  47  -0.237  -6.157 -13.285
  379    H    GLU  48           H        GLU  48  -1.061  -9.442  -4.743
  380    HA   GLU  48           HA       GLU  48  -3.755  -9.735  -5.384
  381   1HB   GLU  48          HB2       GLU  48  -2.091 -11.444  -4.489
  382   2HB   GLU  48          HB3       GLU  48  -2.296 -10.716  -2.889
  383   1HG   GLU  48          HG2       GLU  48  -3.673 -12.689  -3.007
  384   2HG   GLU  48          HG3       GLU  48  -4.786 -11.317  -3.073
  385    H    GLN  49           H        GLN  49  -2.263  -8.360  -2.465
  386    HA   GLN  49           HA       GLN  49  -4.771  -7.742  -1.144
  387   1HB   GLN  49          HB2       GLN  49  -2.498  -8.473  -0.148
  388   2HB   GLN  49          HB3       GLN  49  -1.957  -6.825  -0.478
  389   1HG   GLN  49          HG2       GLN  49  -2.566  -6.845   1.732
  390   2HG   GLN  49          HG3       GLN  49  -3.921  -6.026   0.949
  391   1HE2  GLN  49          HE21      GLN  49  -5.891  -6.684   1.764
  392   2HE2  GLN  49          HE22      GLN  49  -6.229  -8.299   2.379
  393    H    ALA  50           H        ALA  50  -2.734  -6.113  -3.469
  394    HA   ALA  50           HA       ALA  50  -3.136  -3.413  -2.527
  395   1HB   ALA  50          HB1       ALA  50  -2.261  -4.382  -5.259
  396   2HB   ALA  50          HB2       ALA  50  -2.125  -2.741  -4.611
  397   3HB   ALA  50          HB3       ALA  50  -1.192  -4.051  -3.862
  398    H    GLY  51           H        GLY  51  -4.094  -1.737  -3.978
  399   1HA   GLY  51          HA1       GLY  51  -6.145  -0.800  -4.214
  400   2HA   GLY  51          HA2       GLY  51  -6.285  -1.866  -5.615
  401    H    GLY  52           H        GLY  52  -6.110  -1.903  -2.071
  402   1HA   GLY  52          HA1       GLY  52  -8.797  -1.813  -1.439
  403   2HA   GLY  52          HA2       GLY  52  -8.324  -3.535  -1.417
  404    H    ASP  53           H        ASP  53  -8.523  -3.459   0.800
  405    HA   ASP  53           HA       ASP  53  -6.800  -1.833   2.525
  406   1HB   ASP  53          HB2       ASP  53  -9.022  -2.598   3.385
  407   2HB   ASP  53          HB3       ASP  53  -8.421  -4.261   3.343
  408    H    ALA  54           H        ALA  54  -4.877  -2.280   3.286
  409    HA   ALA  54           HA       ALA  54  -4.083  -5.161   3.514
  410   1HB   ALA  54          HB1       ALA  54  -2.954  -4.077   1.500
  411   2HB   ALA  54          HB2       ALA  54  -2.129  -3.012   2.642
  412   3HB   ALA  54          HB3       ALA  54  -1.885  -4.766   2.732
  413    H    THR  55           H        THR  55  -5.234  -3.145   5.399
  414    HA   THR  55           HA       THR  55  -3.074  -2.092   7.025
  415    HB   THR  55           HB       THR  55  -5.986  -2.445   7.900
  416    HG1  THR  55           HG1      THR  55  -6.191  -1.225   6.123
  417   1HG2  THR  55          HG21      THR  55  -4.393  -1.857   9.682
  418   2HG2  THR  55          HG22      THR  55  -3.739  -0.539   8.689
  419   3HG2  THR  55          HG23      THR  55  -5.414  -0.463   9.293
  420    H    GLU  56           H        GLU  56  -5.437  -4.780   7.280
  421    HA   GLU  56           HA       GLU  56  -4.635  -5.736   9.814
  422   1HB   GLU  56          HB2       GLU  56  -6.818  -6.164   8.668
  423   2HB   GLU  56          HB3       GLU  56  -6.001  -7.171   7.467
  424   1HG   GLU  56          HG2       GLU  56  -5.340  -8.756   9.243
  425   2HG   GLU  56          HG3       GLU  56  -6.068  -7.699  10.470
  426    H    ASN  57           H        ASN  57  -3.991  -6.970   6.502
  427    HA   ASN  57           HA       ASN  57  -2.138  -8.902   7.123
  428   1HB   ASN  57          HB2       ASN  57  -3.212  -8.306   4.891
  429   2HB   ASN  57          HB3       ASN  57  -1.896  -7.144   4.652
  430   1HD2  ASN  57          HD21      ASN  57  -2.586  -9.630   3.112
  431   2HD2  ASN  57          HD22      ASN  57  -1.165 -10.657   3.252
  432    H    PHE  58           H        PHE  58  -1.384  -5.407   6.499
  433    HA   PHE  58           HA       PHE  58   1.409  -5.632   6.804
  434   1HB   PHE  58          HB2       PHE  58   0.240  -3.653   5.948
  435   2HB   PHE  58          HB3       PHE  58  -0.420  -3.323   7.542
  436    HD1  PHE  58           HD1      PHE  58   0.733  -1.750   8.884
  437    HD2  PHE  58           HD2      PHE  58   2.875  -3.844   5.788
  438    HE1  PHE  58           HE1      PHE  58   2.506  -0.017   8.910
  439    HE2  PHE  58           HE2      PHE  58   4.717  -2.186   5.948
  440    HZ   PHE  58           HZ       PHE  58   4.540  -0.274   7.521
  441    H    GLU  59           H        GLU  59  -1.072  -4.877   9.315
  442    HA   GLU  59           HA       GLU  59   0.819  -4.521  11.410
  443   1HB   GLU  59          HB2       GLU  59  -1.657  -3.780  11.285
  444   2HB   GLU  59          HB3       GLU  59  -2.091  -5.424  11.738
  445   1HG   GLU  59          HG2       GLU  59  -2.058  -4.101  13.749
  446   2HG   GLU  59          HG3       GLU  59  -0.623  -5.135  13.820
  447    H    ASP  60           H        ASP  60  -1.333  -7.147  10.644
  448    HA   ASP  60           HA       ASP  60  -0.816  -9.249  12.283
  449   1HB   ASP  60          HB2       ASP  60  -2.444  -9.206  10.345
  450   2HB   ASP  60          HB3       ASP  60  -1.080  -9.290   9.249
  451    H    HIS  61           H        HIS  61   1.029  -8.567   9.273
  452    HA   HIS  61           HA       HIS  61   3.105 -10.496   9.889
  453   1HB   HIS  61          HB2       HIS  61   2.757  -8.360   7.780
  454   2HB   HIS  61          HB3       HIS  61   4.175  -9.411   7.854
  455    HD1  HIS  61           HD1      HIS  61   0.731 -11.067   8.506
  456    HD2  HIS  61           HD2      HIS  61   3.670 -10.489   5.536
  457    HE1  HIS  61           HE1      HIS  61   0.204 -12.673   6.636
  458    H    GLY  62           H        GLY  62   2.680  -7.928  11.741
  459   1HA   GLY  62          HA1       GLY  62   4.027  -6.886  13.215
  460   2HA   GLY  62          HA2       GLY  62   5.239  -8.115  12.821
  461    H    HIS  63           HN       HIS  63   3.973  -5.689  10.507
  462    HA   HIS  63           HA       HIS  63   6.631  -4.942   9.771
  463   1HB   HIS  63          HB2       HIS  63   3.940  -3.758   9.126
  464   2HB   HIS  63          HB3       HIS  63   5.467  -3.082   8.543
  465    HD1  HIS  63           HD1      HIS  63   3.321  -6.216   8.105
  466    HD2  HIS  63           HD2      HIS  63   6.685  -4.247   6.564
  467    HE1  HIS  63           HE1      HIS  63   3.783  -7.260   5.822
  468    H    SER  64           H        SER  64   7.940  -4.038  11.082
  469    HA   SER  64           HA       SER  64   7.098  -2.408  13.318
  470   1HB   SER  64          HB2       SER  64   9.798  -3.529  12.456
  471   2HB   SER  64          HB3       SER  64   9.446  -2.825  14.042
  472    HG   SER  64           HG       SER  64   7.928  -5.009  13.010
  473    H    THR  65           H        THR  65   9.352  -0.841  13.797
  474    HA   THR  65           HA       THR  65   8.389   1.562  13.156
  475    HB   THR  65           HB       THR  65  10.987   2.193  13.608
  476    HG1  THR  65           HG1      THR  65  11.993   0.229  13.215
  477   1HG2  THR  65          HG21      THR  65   9.206   2.338  15.315
  478   2HG2  THR  65          HG22      THR  65   9.322   0.586  15.603
  479   3HG2  THR  65          HG23      THR  65  10.691   1.644  15.993
  480    H    ASP  66           H        ASP  66  11.294   0.241  11.488
  481    HA   ASP  66           HA       ASP  66  11.711   2.368   9.848
  482   1HB   ASP  66          HB2       ASP  66  12.319  -0.575   9.303
  483   2HB   ASP  66          HB3       ASP  66  13.193   0.825   8.665
  484    H    ALA  67           H        ALA  67   9.710  -0.490   9.252
  485    HA   ALA  67           HA       ALA  67   9.044   0.094   6.528
  486   1HB   ALA  67          HB1       ALA  67   7.288  -1.635   6.855
  487   2HB   ALA  67          HB2       ALA  67   8.876  -2.194   7.421
  488   3HB   ALA  67          HB3       ALA  67   7.645  -1.673   8.589
  489    H    ARG  68           H        ARG  68   7.575   0.628   9.722
  490    HA   ARG  68           HA       ARG  68   5.211   1.960   9.035
  491   1HB   ARG  68          HB2       ARG  68   6.773   1.507  11.391
  492   2HB   ARG  68          HB3       ARG  68   6.537   3.250  11.313
  493   1HG   ARG  68          HG2       ARG  68   4.684   2.512  12.523
  494   2HG   ARG  68          HG3       ARG  68   4.044   2.692  10.884
  495   1HD   ARG  68          HD2       ARG  68   4.900   0.097  10.757
  496   2HD   ARG  68          HD3       ARG  68   4.689   0.217  12.498
  497    HE   ARG  68           HE       ARG  68   2.403   1.259  11.020
  498   1HH1  ARG  68          HH22      ARG  68   3.753  -1.868  12.123
  499   2HH1  ARG  68          HH21      ARG  68   2.198  -2.386  12.773
  500   1HH2  ARG  68          HH11      ARG  68   0.323   0.217  11.263
  501   2HH2  ARG  68          HH12      ARG  68   0.280  -1.155  12.318
  502    H    GLU  69           H        GLU  69   8.454   3.427   9.629
  503    HA   GLU  69           HA       GLU  69   7.751   6.022   9.065
  504   1HB   GLU  69          HB2       GLU  69   9.870   5.136  10.114
  505   2HB   GLU  69          HB3       GLU  69  10.471   4.772   8.506
  506   1HG   GLU  69          HG2       GLU  69  11.376   6.899   9.328
  507   2HG   GLU  69          HG3       GLU  69  10.380   7.153   7.892
  508    H    LEU  70           H        LEU  70   9.250   3.616   6.941
  509    HA   LEU  70           HA       LEU  70   9.110   4.930   4.503
  510   1HB   LEU  70          HB2       LEU  70   9.270   2.121   5.369
  511   2HB   LEU  70          HB3       LEU  70   8.228   2.222   4.008
  512    HG   LEU  70           HG       LEU  70  10.295   1.812   3.075
  513   1HD1  LEU  70          HD11      LEU  70   9.158   4.055   2.243
  514   2HD1  LEU  70          HD12      LEU  70  10.611   4.811   2.911
  515   3HD1  LEU  70          HD13      LEU  70  10.768   3.578   1.651
  516   1HD2  LEU  70          HD21      LEU  70  11.516   3.836   4.989
  517   2HD2  LEU  70          HD22      LEU  70  11.611   2.060   5.099
  518   3HD2  LEU  70          HD23      LEU  70  12.402   2.910   3.753
  519    H    SER  71           H        SER  71   6.433   3.353   6.205
  520    HA   SER  71           HA       SER  71   4.572   3.584   4.012
  521   1HB   SER  71          HB2       SER  71   3.267   2.355   5.369
  522   2HB   SER  71          HB3       SER  71   4.666   2.135   6.338
  523    HG   SER  71           HG       SER  71   4.091   3.921   7.611
  524    H    LYS  72           H        LYS  72   5.543   5.804   6.518
  525    HA   LYS  72           HA       LYS  72   3.445   7.789   5.968
  526   1HB   LYS  72          HB2       LYS  72   6.318   8.365   6.793
  527   2HB   LYS  72          HB3       LYS  72   4.907   9.381   7.044
  528   1HG   LYS  72          HG2       LYS  72   4.054   8.000   8.745
  529   2HG   LYS  72          HG3       LYS  72   5.056   6.622   8.320
  530   1HD   LYS  72          HD2       LYS  72   6.185   7.353  10.169
  531   2HD   LYS  72          HD3       LYS  72   7.087   8.000   8.789
  532   1HE   LYS  72          HE2       LYS  72   5.951  10.231   9.193
  533   2HE   LYS  72          HE3       LYS  72   5.334   9.534  10.711
  534   1HZ   LYS  72          HZ1       LYS  72   8.160   9.874   9.891
  535   2HZ   LYS  72          HZ2       LYS  72   7.437  10.553  11.225
  536   3HZ   LYS  72          HZ3       LYS  72   7.797   8.921  11.074
  537    H    THR  73           H        THR  73   6.776   7.303   4.937
  538    HA   THR  73           HA       THR  73   6.989   9.275   2.978
  539    HB   THR  73           HB       THR  73   8.264   6.529   2.695
  540    HG1  THR  73           HG1      THR  73   9.751   7.279   4.222
  541   1HG2  THR  73          HG21      THR  73   9.310   9.302   2.072
  542   2HG2  THR  73          HG22      THR  73  10.182   7.761   1.887
  543   3HG2  THR  73          HG23      THR  73   8.760   8.095   0.883
  544    H    PHE  74           H        PHE  74   5.424   6.099   2.704
  545    HA   PHE  74           HA       PHE  74   4.910   6.353  -0.164
  546   1HB   PHE  74          HB2       PHE  74   3.731   4.486   1.908
  547   2HB   PHE  74          HB3       PHE  74   3.607   4.301   0.171
  548    HD1  PHE  74           HD1      PHE  74   4.597   2.221   2.065
  549    HD2  PHE  74           HD2      PHE  74   6.652   5.080  -0.404
  550    HE1  PHE  74           HE1      PHE  74   6.500   0.667   1.800
  551    HE2  PHE  74           HE2      PHE  74   8.651   3.634  -0.413
  552    HZ   PHE  74           HZ       PHE  74   8.661   1.520   0.902
  553    H    ILE  75           H        ILE  75   3.349   7.700   2.581
  554    HA   ILE  75           HA       ILE  75   0.675   7.807   1.719
  555    HB   ILE  75           HB       ILE  75   2.329   9.944   3.095
  556   1HG1  ILE  75          HG12      ILE  75  -0.057   8.304   3.984
  557   2HG1  ILE  75          HG13      ILE  75   1.597   7.732   4.115
  558   1HG2  ILE  75          HG21      ILE  75  -0.642  10.066   2.397
  559   2HG2  ILE  75          HG22      ILE  75   0.174  11.132   3.555
  560   3HG2  ILE  75          HG23      ILE  75   0.612  11.208   1.860
  561   1HD1  ILE  75          HD11      ILE  75   0.391  10.145   5.541
  562   2HD1  ILE  75          HD12      ILE  75   0.977   8.640   6.261
  563   3HD1  ILE  75          HD13      ILE  75   2.130   9.775   5.529
  564    H    ILE  76           H        ILE  76  -0.297   8.366  -0.056
  565    HA   ILE  76           HA       ILE  76   0.791  10.591  -1.778
  566    HB   ILE  76           HB       ILE  76  -0.368   9.261  -3.633
  567   1HG1  ILE  76          HG12      ILE  76   0.002   6.873  -1.800
  568   2HG1  ILE  76          HG13      ILE  76  -1.528   7.771  -1.768
  569   1HG2  ILE  76          HG21      ILE  76   2.077   7.999  -2.340
  570   2HG2  ILE  76          HG22      ILE  76   1.574   7.859  -4.036
  571   3HG2  ILE  76          HG23      ILE  76   2.074   9.425  -3.393
  572   1HD1  ILE  76          HD11      ILE  76  -1.117   5.677  -3.364
  573   2HD1  ILE  76          HD12      ILE  76  -2.240   6.982  -3.732
  574   3HD1  ILE  76          HD13      ILE  76  -0.621   6.995  -4.467
  575    H    GLY  77           H        GLY  77  -1.784   9.700   0.247
  576   1HA   GLY  77          HA1       GLY  77  -3.999  11.367  -0.535
  577   2HA   GLY  77          HA2       GLY  77  -3.903   9.950  -1.579
  578    H    GLU  78           H        GLU  78  -6.022  10.140   0.022
  579    HA   GLU  78           HA       GLU  78  -5.471   8.188   2.172
  580   1HB   GLU  78          HB2       GLU  78  -7.413  10.529   2.338
  581   2HB   GLU  78          HB3       GLU  78  -6.752   9.576   3.680
  582   1HG   GLU  78          HG2       GLU  78  -4.382  10.389   2.989
  583   2HG   GLU  78          HG3       GLU  78  -5.201  11.633   2.017
  584    H    LEU  79           H        LEU  79  -7.227   7.082   2.975
  585    HA   LEU  79           HA       LEU  79  -8.761   5.834   0.893
  586   1HB   LEU  79          HB2       LEU  79  -7.693   4.816   2.876
  587   2HB   LEU  79          HB3       LEU  79  -8.717   5.799   3.935
  588    HG   LEU  79           HG       LEU  79  -9.156   3.244   3.358
  589   1HD1  LEU  79          HD11      LEU  79 -11.081   5.405   4.170
  590   2HD1  LEU  79          HD12      LEU  79 -11.519   3.712   4.040
  591   3HD1  LEU  79          HD13      LEU  79 -10.203   4.170   5.139
  592   1HD2  LEU  79          HD21      LEU  79  -9.954   3.724   1.003
  593   2HD2  LEU  79          HD22      LEU  79 -11.063   2.960   2.192
  594   3HD2  LEU  79          HD23      LEU  79 -11.274   4.669   1.803
  595    H    HIS  80           H        HIS  80 -10.441   6.997  -0.093
  596    HA   HIS  80           HA       HIS  80 -11.680   8.924   1.386
  597   1HB   HIS  80          HB2       HIS  80 -11.588   8.851  -1.123
  598   2HB   HIS  80          HB3       HIS  80 -12.783   7.524  -1.048
  599    HD1  HIS  80           HD1      HIS  80 -15.334   8.457  -0.967
  600    HD2  HIS  80           HD2      HIS  80 -12.291  11.242  -0.138
  601    HE1  HIS  80           HE1      HIS  80 -16.493  10.700  -0.608
  602    HA   PRO  81           HA       PRO  81 -14.078   6.514   3.719
  603   1HB   PRO  81          HB2       PRO  81 -16.159   8.820   3.954
  604   2HB   PRO  81          HB3       PRO  81 -15.390   7.965   5.251
  605   1HG   PRO  81          HG2       PRO  81 -14.528  10.539   4.404
  606   2HG   PRO  81          HG3       PRO  81 -13.213   9.323   4.571
  607   1HD   PRO  81          HD2       PRO  81 -14.934   9.865   2.146
  608   2HD   PRO  81          HD3       PRO  81 -13.193  10.030   2.291
  609    H    ASP  82           H        ASP  82 -15.750   7.457   1.134
  610    HA   ASP  82           HA       ASP  82 -18.293   6.326   1.694
  611   1HB   ASP  82          HB2       ASP  82 -17.845   7.652  -0.384
  612   2HB   ASP  82          HB3       ASP  82 -16.696   6.416  -0.943
  613    H    ASP  83           H        ASP  83 -15.112   5.131   0.993
  614    HA   ASP  83           HA       ASP  83 -15.486   2.332   0.852
  615   1HB   ASP  83          HB2       ASP  83 -13.452   3.933   0.504
  616   2HB   ASP  83          HB3       ASP  83 -13.197   3.858   2.170
  617    H    ARG  84           H        ARG  84 -14.291   4.214   3.762
  618    HA   ARG  84           HA       ARG  84 -15.912   2.683   5.443
  619   1HB   ARG  84          HB2       ARG  84 -14.449   1.523   6.762
  620   2HB   ARG  84          HB3       ARG  84 -14.055   1.080   5.096
  621   1HG   ARG  84          HG2       ARG  84 -12.469   3.356   5.816
  622   2HG   ARG  84          HG3       ARG  84 -12.398   2.322   7.197
  623   1HD   ARG  84          HD2       ARG  84 -11.890   1.253   4.395
  624   2HD   ARG  84          HD3       ARG  84 -10.620   1.984   5.400
  625    HE   ARG  84           HE       ARG  84 -11.927  -0.031   6.925
  626   1HH1  ARG  84          HH22      ARG  84  -9.943   0.207   4.032
  627   2HH1  ARG  84          HH21      ARG  84  -8.666  -0.852   4.662
  628   1HH2  ARG  84          HH11      ARG  84 -10.243  -1.696   7.624
  629   2HH2  ARG  84          HH12      ARG  84  -8.883  -1.901   6.509
  630    HHA  HEM 201           HGM      HEM 201   9.394  -9.039   5.366
  631    HHB  HEM 201           HDM      HEM 201   9.139  -2.664   4.562
  632    HHC  HEM 201           HAM      HEM 201   2.927  -3.150   2.931
  633    HHD  HEM 201           HBM      HEM 201   3.397  -9.586   3.042
  634   1HMA  HEM 201          HM81      HEM 201  11.717  -4.449   6.629
  635   2HMA  HEM 201          HM82      HEM 201  11.985  -4.040   4.921
  636   3HMA  HEM 201          HM83      HEM 201  10.831  -3.116   5.910
  637   1HAA  HEM 201          HP71      HEM 201  11.491  -8.182   5.601
  638   2HAA  HEM 201          HP72      HEM 201  12.265  -6.592   6.040
  639   1HBA  HEM 201          HP73      HEM 201  10.438  -8.402   7.653
  640   2HBA  HEM 201          HP74      HEM 201  10.700  -6.625   8.022
  641   1HMB  HEM 201          HM11      HEM 201   8.073  -0.368   2.992
  642   2HMB  HEM 201          HM12      HEM 201   6.821   0.272   4.086
  643   3HMB  HEM 201          HM13      HEM 201   8.160  -0.658   4.718
  644    HAB  HEM 201          HT2A      HEM 201   3.785  -1.228   2.022
  645   1HBB  HEM 201          HV2C      HEM 201   4.653   0.799   3.954
  646   2HBB  HEM 201          HV2T      HEM 201   2.899   0.208   3.589
  647   1HMC  HEM 201          HM31      HEM 201   0.045  -5.553   3.445
  648   2HMC  HEM 201          HM32      HEM 201   0.892  -4.007   3.416
  649   3HMC  HEM 201          HM33      HEM 201   0.481  -4.798   1.879
  650    HAC  HEM 201          HT4A      HEM 201   1.160  -9.058   3.167
  651   1HBC  HEM 201          HV4C      HEM 201  -0.001  -7.008   1.228
  652   2HBC  HEM 201          HV4T      HEM 201  -0.372  -8.830   1.340
  653   1HMD  HEM 201          HM51      HEM 201   5.311 -12.404   4.411
  654   2HMD  HEM 201          HM52      HEM 201   4.121 -11.605   3.387
  655   3HMD  HEM 201          HM53      HEM 201   5.646 -12.158   2.686
  656   1HAD  HEM 201          HP61      HEM 201   7.769 -12.313   4.149
  657   2HAD  HEM 201          HP62      HEM 201   9.106 -11.142   4.548
  658   1HBD  HEM 201          HP63      HEM 201   8.273 -11.004   6.858
  659   2HBD  HEM 201          HP64      HEM 201   6.922 -12.170   6.422
  Start of MODEL   10
    1   1H    ALA   3          H1        ALA   3  -6.546  21.083   2.830
    2   2H    ALA   3          H2        ALA   3  -8.011  21.061   2.120
    3   3H    ALA   3          H3        ALA   3  -7.872  21.689   3.656
    4    HA   ALA   3           HA       ALA   3  -7.415  19.613   4.588
    5   1HB   ALA   3          HB1       ALA   3  -9.825  19.870   3.895
    6   2HB   ALA   3          HB2       ALA   3  -9.437  19.071   2.355
    7   3HB   ALA   3          HB3       ALA   3  -9.292  18.185   3.888
    8    H    VAL   4           H        VAL   4  -7.635  17.018   3.346
    9    HA   VAL   4           HA       VAL   4  -5.170  16.877   1.743
   10    HB   VAL   4           HB       VAL   4  -5.527  14.480   1.780
   11   1HG1  VAL   4          HG11      VAL   4  -4.453  15.517   3.739
   12   2HG1  VAL   4          HG12      VAL   4  -6.031  15.613   4.553
   13   3HG1  VAL   4          HG13      VAL   4  -5.343  14.033   4.138
   14   1HG2  VAL   4          HG21      VAL   4  -8.008  14.424   1.606
   15   2HG2  VAL   4          HG22      VAL   4  -7.401  13.427   2.935
   16   3HG2  VAL   4          HG23      VAL   4  -8.135  15.002   3.280
   17    H    LYS   5           H        LYS   5  -6.174  14.834  -0.068
   18    HA   LYS   5           HA       LYS   5  -7.815  16.457  -1.969
   19   1HB   LYS   5          HB2       LYS   5  -5.512  16.134  -2.725
   20   2HB   LYS   5          HB3       LYS   5  -5.614  14.403  -2.461
   21   1HG   LYS   5          HG2       LYS   5  -7.179  15.990  -4.565
   22   2HG   LYS   5          HG3       LYS   5  -5.715  15.023  -4.828
   23   1HD   LYS   5          HD2       LYS   5  -7.051  13.108  -3.736
   24   2HD   LYS   5          HD3       LYS   5  -8.498  14.077  -4.153
   25   1HE   LYS   5          HE2       LYS   5  -7.838  13.891  -6.562
   26   2HE   LYS   5          HE3       LYS   5  -6.461  12.895  -6.066
   27   1HZ   LYS   5          HZ1       LYS   5  -9.291  12.175  -6.071
   28   2HZ   LYS   5          HZ2       LYS   5  -8.008  11.237  -6.420
   29   3HZ   LYS   5          HZ3       LYS   5  -8.405  11.582  -4.867
   30    H    TYR   6           H        TYR   6  -6.869  13.239  -0.802
   31    HA   TYR   6           HA       TYR   6  -7.937  11.357  -0.264
   32   1HB   TYR   6          HB2       TYR   6 -10.619  12.922  -0.465
   33   2HB   TYR   6          HB3       TYR   6 -10.351  11.237  -0.332
   34    HD1  TYR   6           HD1      TYR   6  -9.758  10.012   1.416
   35    HD2  TYR   6           HD2      TYR   6 -10.547  14.210   1.714
   36    HE1  TYR   6           HE1      TYR   6  -9.921   9.735   3.761
   37    HE2  TYR   6           HE2      TYR   6 -10.743  13.978   4.186
   38    HH   TYR   6           HH       TYR   6  -9.411  11.363   5.806
   39    H    TYR   7           H        TYR   7  -8.723   9.613  -0.976
   40    HA   TYR   7           HA       TYR   7  -8.675   9.437  -3.889
   41   1HB   TYR   7          HB2       TYR   7  -7.069   8.521  -1.566
   42   2HB   TYR   7          HB3       TYR   7  -7.155   7.524  -2.869
   43    HD1  TYR   7           HD1      TYR   7  -6.591   8.811  -5.256
   44    HD2  TYR   7           HD2      TYR   7  -5.999  10.685  -1.478
   45    HE1  TYR   7           HE1      TYR   7  -5.059  10.430  -6.323
   46    HE2  TYR   7           HE2      TYR   7  -4.412  12.296  -2.506
   47    HH   TYR   7           HH       TYR   7  -3.523  12.147  -5.949
   48    H    THR   8           H        THR   8 -10.357   8.390  -4.572
   49    HA   THR   8           HA       THR   8 -12.187   7.187  -2.620
   50    HB   THR   8           HB       THR   8 -13.763   6.877  -4.418
   51    HG1  THR   8           HG1      THR   8 -13.020   7.547  -6.575
   52   1HG2  THR   8          HG21      THR   8 -13.512   9.169  -3.531
   53   2HG2  THR   8          HG22      THR   8 -12.322   9.539  -4.800
   54   3HG2  THR   8          HG23      THR   8 -14.002   9.167  -5.230
   55    H    LEU   9           H        LEU   9 -13.082   4.939  -2.798
   56    HA   LEU   9           HA       LEU   9 -11.151   2.925  -3.134
   57   1HB   LEU   9          HB2       LEU   9 -12.760   2.335  -1.908
   58   2HB   LEU   9          HB3       LEU   9 -14.119   2.991  -2.836
   59    HG   LEU   9           HG       LEU   9 -12.520   0.536  -3.721
   60   1HD1  LEU   9          HD11      LEU   9 -13.307   0.125  -1.430
   61   2HD1  LEU   9          HD12      LEU   9 -14.955   0.596  -1.898
   62   3HD1  LEU   9          HD13      LEU   9 -14.206  -0.859  -2.597
   63   1HD2  LEU   9          HD21      LEU   9 -14.062   1.425  -5.458
   64   2HD2  LEU   9          HD22      LEU   9 -14.726  -0.060  -4.794
   65   3HD2  LEU   9          HD23      LEU   9 -15.379   1.500  -4.269
   66    H    GLU  10           H        GLU  10 -13.366   4.335  -5.573
   67    HA   GLU  10           HA       GLU  10 -12.775   2.540  -7.662
   68   1HB   GLU  10          HB2       GLU  10 -14.359   4.394  -7.994
   69   2HB   GLU  10          HB3       GLU  10 -13.066   5.585  -7.924
   70   1HG   GLU  10          HG2       GLU  10 -11.974   4.696  -9.884
   71   2HG   GLU  10          HG3       GLU  10 -13.035   3.276  -9.906
   72    H    GLU  11           H        GLU  11 -11.069   5.554  -6.787
   73    HA   GLU  11           HA       GLU  11  -8.975   5.354  -8.688
   74   1HB   GLU  11          HB2       GLU  11  -8.841   6.516  -5.828
   75   2HB   GLU  11          HB3       GLU  11  -7.591   6.642  -7.040
   76   1HG   GLU  11          HG2       GLU  11  -9.257   7.920  -8.499
   77   2HG   GLU  11          HG3       GLU  11 -10.473   7.679  -7.225
   78    H    ILE  12           H        ILE  12  -9.174   4.265  -5.325
   79    HA   ILE  12           HA       ILE  12  -6.558   3.442  -5.313
   80    HB   ILE  12           HB       ILE  12  -8.954   2.582  -3.613
   81   1HG1  ILE  12          HG12      ILE  12  -6.629   4.305  -2.687
   82   2HG1  ILE  12          HG13      ILE  12  -7.916   5.045  -3.636
   83   1HG2  ILE  12          HG21      ILE  12  -7.402   0.809  -3.338
   84   2HG2  ILE  12          HG22      ILE  12  -6.040   1.950  -3.123
   85   3HG2  ILE  12          HG23      ILE  12  -7.326   1.823  -1.899
   86   1HD1  ILE  12          HD11      ILE  12  -8.266   3.612  -0.974
   87   2HD1  ILE  12          HD12      ILE  12  -8.379   5.343  -1.315
   88   3HD1  ILE  12          HD13      ILE  12  -9.589   4.237  -1.974
   89    H    GLN  13           H        GLU  13  -9.496   1.643  -6.108
   90    HA   GLN  13           HA       GLU  13  -8.282  -0.984  -6.285
   91   1HB   GLN  13          HB2       GLU  13 -10.776   0.307  -7.497
   92   2HB   GLN  13          HB3       GLU  13 -10.284  -1.329  -7.933
   93   1HG   GLN  13          HG2       GLU  13 -10.435  -2.045  -5.584
   94   2HG   GLN  13          HG3       GLU  13 -10.857  -0.403  -5.086
   95    H    LYS  14           H        LYS  14  -8.995   1.622  -8.530
   96    HA   LYS  14           HA       LYS  14  -8.216   0.584 -10.973
   97   1HB   LYS  14          HB2       LYS  14  -9.009   3.054  -9.950
   98   2HB   LYS  14          HB3       LYS  14  -7.385   3.385 -10.266
   99   1HG   LYS  14          HG2       LYS  14  -8.491   4.076 -12.191
  100   2HG   LYS  14          HG3       LYS  14  -8.077   2.432 -12.724
  101   1HD   LYS  14          HD2       LYS  14 -10.335   1.645 -12.042
  102   2HD   LYS  14          HD3       LYS  14 -10.681   3.205 -11.284
  103   1HE   LYS  14          HE2       LYS  14 -10.453   4.308 -13.555
  104   2HE   LYS  14          HE3       LYS  14 -10.423   2.682 -14.262
  105   1HZ   LYS  14          HZ1       LYS  14 -12.645   3.610 -14.240
  106   2HZ   LYS  14          HZ2       LYS  14 -12.620   2.345 -13.187
  107   3HZ   LYS  14          HZ3       LYS  14 -12.611   3.888 -12.647
  108    H    HIS  15           H        HIS  15  -6.278   2.236  -8.492
  109    HA   HIS  15           HA       HIS  15  -3.751   2.031  -9.893
  110   1HB   HIS  15          HB2       HIS  15  -4.719   3.085  -7.236
  111   2HB   HIS  15          HB3       HIS  15  -3.014   2.796  -7.553
  112    HD1  HIS  15           HD1      HIS  15  -1.705   4.640  -8.719
  113    HD2  HIS  15           HD2      HIS  15  -5.869   4.862  -9.319
  114    HE1  HIS  15           HE1      HIS  15  -2.148   6.736 -10.095
  115    H    ASN  16           H        ASN  16  -4.090  -0.303 -10.190
  116    HA   ASN  16           HA       ASN  16  -2.054  -1.595  -8.551
  117   1HB   ASN  16          HB2       ASN  16  -4.024  -2.121  -7.192
  118   2HB   ASN  16          HB3       ASN  16  -4.820  -2.862  -8.587
  119   1HD2  ASN  16          HD21      ASN  16  -4.674  -4.614  -6.578
  120   2HD2  ASN  16          HD22      ASN  16  -3.325  -5.690  -6.709
  121    H    ASN  17           H        ASN  17  -0.993  -1.459 -10.604
  122    HA   ASN  17           HA       ASN  17  -1.231  -4.082 -11.823
  123   1HB   ASN  17          HB2       ASN  17  -2.805  -2.696 -13.233
  124   2HB   ASN  17          HB3       ASN  17  -1.426  -1.690 -13.695
  125   1HD2  ASN  17          HD21      ASN  17  -2.284  -2.462 -15.898
  126   2HD2  ASN  17          HD22      ASN  17  -1.633  -3.977 -16.499
  127    H    SER  18           H        SER  18   0.738  -2.784 -10.181
  128    HA   SER  18           HA       SER  18   3.006  -2.654  -9.992
  129   1HB   SER  18          HB2       SER  18   3.162  -4.872 -10.928
  130   2HB   SER  18          HB3       SER  18   3.012  -4.248 -12.588
  131    HG   SER  18           HG       SER  18   4.933  -3.087 -12.241
  132    H    LYS  19           H        LYS  19   2.008  -0.433 -10.455
  133    HA   LYS  19           HA       LYS  19   3.318   0.957 -12.743
  134   1HB   LYS  19          HB2       LYS  19   0.408   0.191 -12.429
  135   2HB   LYS  19          HB3       LYS  19   0.725   1.796 -13.031
  136   1HG   LYS  19          HG2       LYS  19   1.830  -0.755 -14.271
  137   2HG   LYS  19          HG3       LYS  19   0.385   0.092 -14.808
  138   1HD   LYS  19          HD2       LYS  19   1.606   1.437 -16.106
  139   2HD   LYS  19          HD3       LYS  19   2.463   2.063 -14.693
  140   1HE   LYS  19          HE2       LYS  19   4.055   0.098 -14.839
  141   2HE   LYS  19          HE3       LYS  19   3.208  -0.441 -16.296
  142   1HZ   LYS  19          HZ1       LYS  19   5.172   0.799 -16.815
  143   2HZ   LYS  19          HZ2       LYS  19   3.854   1.625 -17.349
  144   3HZ   LYS  19          HZ3       LYS  19   4.643   2.114 -15.987
  145    H    SER  20           H        SER  20   0.541   1.644 -10.651
  146    HA   SER  20           HA       SER  20   2.139   3.409  -8.875
  147   1HB   SER  20          HB2       SER  20   1.388   4.946 -10.351
  148   2HB   SER  20          HB3       SER  20  -0.227   4.223 -10.588
  149    HG   SER  20           HG       SER  20   0.734   5.427  -8.181
  150    H    THR  21           H        THR  21   2.072   1.595  -7.671
  151    HA   THR  21           HA       THR  21  -0.431   0.056  -7.518
  152    HB   THR  21           HB       THR  21   2.289  -0.665  -6.402
  153    HG1  THR  21           HG1      THR  21   2.637  -0.165  -8.480
  154   1HG2  THR  21          HG21      THR  21   1.455  -2.980  -6.883
  155   2HG2  THR  21          HG22      THR  21   0.485  -2.124  -5.677
  156   3HG2  THR  21          HG23      THR  21  -0.110  -2.301  -7.344
  157    H    TRP  22           H        TRP  22  -1.881   0.562  -5.985
  158    HA   TRP  22           HA       TRP  22  -1.036   2.135  -3.644
  159   1HB   TRP  22          HB2       TRP  22  -3.492   1.911  -5.330
  160   2HB   TRP  22          HB3       TRP  22  -3.614   2.575  -3.742
  161    HD1  TRP  22           HD1      TRP  22  -0.414   3.391  -5.599
  162    HE1  TRP  22           HE1      TRP  22  -0.410   5.692  -6.565
  163    HE3  TRP  22           HE3      TRP  22  -5.150   4.646  -4.348
  164    HZ2  TRP  22           HZ2      TRP  22  -2.486   7.748  -7.163
  165    HZ3  TRP  22           HZ3      TRP  22  -6.222   6.636  -5.310
  166    HH2  TRP  22           HH2      TRP  22  -4.953   8.098  -6.894
  167    H    LEU  23           H        LEU  23  -1.844   1.653  -1.499
  168    HA   LEU  23           HA       LEU  23  -3.770  -0.544  -1.233
  169   1HB   LEU  23          HB2       LEU  23  -1.794  -1.034   0.819
  170   2HB   LEU  23          HB3       LEU  23  -2.475  -2.101  -0.343
  171    HG   LEU  23           HG       LEU  23  -0.663  -1.150  -1.993
  172   1HD1  LEU  23          HD11      LEU  23   1.274  -0.386  -0.921
  173   2HD1  LEU  23          HD12      LEU  23  -0.064   0.572  -0.282
  174   3HD1  LEU  23          HD13      LEU  23   0.634  -0.722   0.714
  175   1HD2  LEU  23          HD21      LEU  23  -0.791  -3.497  -1.263
  176   2HD2  LEU  23          HD22      LEU  23   0.876  -2.903  -1.235
  177   3HD2  LEU  23          HD23      LEU  23  -0.036  -3.065   0.285
  178    H    ILE  24           H        ILE  24  -4.870  -0.522   0.836
  179    HA   ILE  24           HA       ILE  24  -4.549   2.078   2.227
  180    HB   ILE  24           HB       ILE  24  -6.919   0.243   2.709
  181   1HG1  ILE  24          HG12      ILE  24  -7.160   2.441   0.679
  182   2HG1  ILE  24          HG13      ILE  24  -6.663   0.832   0.145
  183   1HG2  ILE  24          HG21      ILE  24  -6.592   3.244   2.860
  184   2HG2  ILE  24          HG22      ILE  24  -8.011   2.305   3.358
  185   3HG2  ILE  24          HG23      ILE  24  -6.494   2.129   4.237
  186   1HD1  ILE  24          HD11      ILE  24  -8.599  -0.241   0.989
  187   2HD1  ILE  24          HD12      ILE  24  -9.186   1.240   1.747
  188   3HD1  ILE  24          HD13      ILE  24  -9.095   1.120  -0.025
  189    H    LEU  25           H        LEU  25  -3.618   2.242   4.048
  190    HA   LEU  25           HA       LEU  25  -3.502  -0.027   6.013
  191   1HB   LEU  25          HB2       LEU  25  -1.401   1.724   4.919
  192   2HB   LEU  25          HB3       LEU  25  -1.288   1.247   6.612
  193    HG   LEU  25           HG       LEU  25  -1.130  -1.079   5.942
  194   1HD1  LEU  25          HD11      LEU  25  -1.460  -0.056   3.100
  195   2HD1  LEU  25          HD12      LEU  25  -0.730  -1.627   3.496
  196   3HD1  LEU  25          HD13      LEU  25  -2.398  -1.314   3.955
  197   1HD2  LEU  25          HD21      LEU  25   0.738   0.715   4.299
  198   2HD2  LEU  25          HD22      LEU  25   0.918   0.388   6.030
  199   3HD2  LEU  25          HD23      LEU  25   1.104  -0.925   4.853
  200    H    HIS  26           H        HIS  26  -5.197   0.783   7.314
  201    HA   HIS  26           HA       HIS  26  -6.143   2.091   8.941
  202   1HB   HIS  26          HB2       HIS  26  -3.679   3.823   9.174
  203   2HB   HIS  26          HB3       HIS  26  -4.798   3.300  10.424
  204    HD1  HIS  26           HD1      HIS  26  -4.360   0.584  11.196
  205    HD2  HIS  26           HD2      HIS  26  -1.494   2.563   8.838
  206    HE1  HIS  26           HE1      HIS  26  -2.228  -0.803  11.325
  207    H    TYR  27           H        TYR  27  -6.995   2.702   6.551
  208    HA   TYR  27           HA       TYR  27  -8.093   4.185   5.288
  209   1HB   TYR  27          HB2       TYR  27  -7.618   6.168   7.541
  210   2HB   TYR  27          HB3       TYR  27  -8.364   6.572   6.014
  211    HD1  TYR  27           HD1      TYR  27  -8.760   3.853   8.630
  212    HD2  TYR  27           HD2      TYR  27 -10.639   6.735   6.022
  213    HE1  TYR  27           HE1      TYR  27 -10.961   3.286   9.585
  214    HE2  TYR  27           HE2      TYR  27 -12.804   6.250   7.040
  215    HH   TYR  27           HH       TYR  27 -13.266   3.580   9.340
  216    H    LYS  28           H        LYS  28  -4.829   5.273   6.325
  217    HA   LYS  28           HA       LYS  28  -4.513   7.134   4.136
  218   1HB   LYS  28          HB2       LYS  28  -2.664   5.774   6.081
  219   2HB   LYS  28          HB3       LYS  28  -1.994   6.375   4.541
  220   1HG   LYS  28          HG2       LYS  28  -1.720   7.969   6.380
  221   2HG   LYS  28          HG3       LYS  28  -2.536   8.564   4.923
  222   1HD   LYS  28          HD2       LYS  28  -3.816   9.441   6.622
  223   2HD   LYS  28          HD3       LYS  28  -4.718   8.053   6.066
  224   1HE   LYS  28          HE2       LYS  28  -3.463   6.822   8.096
  225   2HE   LYS  28          HE3       LYS  28  -3.415   8.490   8.702
  226   1HZ   LYS  28          HZ1       LYS  28  -5.480   7.821   9.399
  227   2HZ   LYS  28          HZ2       LYS  28  -5.908   8.371   7.889
  228   3HZ   LYS  28          HZ3       LYS  28  -5.666   6.747   8.164
  229    H    VAL  29           H        VAL  29  -3.478   6.903   2.199
  230    HA   VAL  29           HA       VAL  29  -3.694   4.220   0.922
  231    HB   VAL  29           HB       VAL  29  -4.259   6.994  -0.115
  232   1HG1  VAL  29          HG11      VAL  29  -3.033   5.771  -1.897
  233   2HG1  VAL  29          HG12      VAL  29  -4.140   4.402  -1.700
  234   3HG1  VAL  29          HG13      VAL  29  -4.755   5.983  -2.246
  235   1HG2  VAL  29          HG21      VAL  29  -6.044   5.644   1.166
  236   2HG2  VAL  29          HG22      VAL  29  -6.458   6.100  -0.498
  237   3HG2  VAL  29          HG23      VAL  29  -5.921   4.442  -0.129
  238    H    TYR  30           H        TYR  30  -1.888   3.455   0.020
  239    HA   TYR  30           HA       TYR  30   0.639   5.038   0.304
  240   1HB   TYR  30          HB2       TYR  30  -0.364   2.269   1.024
  241   2HB   TYR  30          HB3       TYR  30   1.329   2.539   0.907
  242    HD1  TYR  30           HD1      TYR  30   2.392   4.057   2.723
  243    HD2  TYR  30           HD2      TYR  30  -1.845   3.338   2.627
  244    HE1  TYR  30           HE1      TYR  30   2.151   4.877   5.081
  245    HE2  TYR  30           HE2      TYR  30  -2.006   4.016   4.953
  246    HH   TYR  30           HH       TYR  30   0.850   4.871   6.916
  247    H    ASP  31           H        ASP  31   1.595   5.310  -1.720
  248    HA   ASP  31           HA       ASP  31   1.045   3.310  -3.873
  249   1HB   ASP  31          HB2       ASP  31   0.853   5.850  -4.274
  250   2HB   ASP  31          HB3       ASP  31   2.630   5.867  -4.125
  251    H    LEU  32           H        LEU  32   2.680   1.930  -4.398
  252    HA   LEU  32           HA       LEU  32   5.394   2.576  -3.300
  253   1HB   LEU  32          HB2       LEU  32   4.834  -0.326  -3.589
  254   2HB   LEU  32          HB3       LEU  32   5.822   0.577  -2.443
  255    HG   LEU  32           HG       LEU  32   2.800   0.350  -2.309
  256   1HD1  LEU  32          HD11      LEU  32   3.271  -1.265  -0.449
  257   2HD1  LEU  32          HD12      LEU  32   3.981  -1.849  -1.968
  258   3HD1  LEU  32          HD13      LEU  32   4.997  -1.084  -0.712
  259   1HD2  LEU  32          HD21      LEU  32   3.688   2.307  -1.004
  260   2HD2  LEU  32          HD22      LEU  32   3.072   1.024   0.040
  261   3HD2  LEU  32          HD23      LEU  32   4.831   1.195  -0.227
  262    H    THR  33           H        THR  33   4.056   0.163  -5.549
  263    HA   THR  33           HA       THR  33   4.833  -0.740  -7.412
  264    HB   THR  33           HB       THR  33   5.606   2.094  -8.173
  265    HG1  THR  33           HG1      THR  33   3.647   2.048  -9.136
  266   1HG2  THR  33          HG21      THR  33   6.750   0.428  -9.638
  267   2HG2  THR  33          HG22      THR  33   5.213  -0.430  -9.863
  268   3HG2  THR  33          HG23      THR  33   5.437   1.209 -10.505
  269    H    LYS  34           H        LYS  34   7.458   1.707  -6.837
  270    HA   LYS  34           HA       LYS  34   9.604   0.144  -7.839
  271   1HB   LYS  34          HB2       LYS  34   9.638   2.594  -7.303
  272   2HB   LYS  34          HB3       LYS  34   9.586   2.190  -5.580
  273   1HG   LYS  34          HG2       LYS  34  11.793   0.921  -5.928
  274   2HG   LYS  34          HG3       LYS  34  11.825   1.607  -7.564
  275   1HD   LYS  34          HD2       LYS  34  11.581   3.912  -6.475
  276   2HD   LYS  34          HD3       LYS  34  11.760   3.123  -4.903
  277   1HE   LYS  34          HE2       LYS  34  13.827   3.263  -7.151
  278   2HE   LYS  34          HE3       LYS  34  13.876   4.103  -5.592
  279   1HZ   LYS  34          HZ1       LYS  34  14.148   1.180  -6.027
  280   2HZ   LYS  34          HZ2       LYS  34  15.281   2.203  -5.450
  281   3HZ   LYS  34          HZ3       LYS  34  13.957   1.757  -4.578
  282    H    PHE  35           H        PHE  35   7.938   0.092  -4.750
  283    HA   PHE  35           HA       PHE  35  10.135  -1.232  -3.348
  284   1HB   PHE  35          HB2       PHE  35   8.299   0.518  -2.477
  285   2HB   PHE  35          HB3       PHE  35   7.318  -0.960  -2.369
  286    HD1  PHE  35           HD1      PHE  35   7.416  -2.127  -0.275
  287    HD2  PHE  35           HD2      PHE  35  10.742   0.358  -1.454
  288    HE1  PHE  35           HE1      PHE  35   8.576  -2.658   1.824
  289    HE2  PHE  35           HE2      PHE  35  11.880  -0.156   0.680
  290    HZ   PHE  35           HZ       PHE  35  10.814  -1.680   2.322
  291    H    LEU  36           H        LEU  36   7.315  -2.112  -5.133
  292    HA   LEU  36           HA       LEU  36   6.710  -4.708  -4.218
  293   1HB   LEU  36          HB2       LEU  36   7.060  -3.739  -7.096
  294   2HB   LEU  36          HB3       LEU  36   6.156  -5.117  -6.610
  295    HG   LEU  36           HG       LEU  36   5.285  -2.343  -5.872
  296   1HD1  LEU  36          HD11      LEU  36   4.350  -4.389  -7.948
  297   2HD1  LEU  36          HD12      LEU  36   3.591  -2.816  -7.649
  298   3HD1  LEU  36          HD13      LEU  36   5.227  -2.910  -8.331
  299   1HD2  LEU  36          HD21      LEU  36   3.190  -3.412  -5.235
  300   2HD2  LEU  36          HD22      LEU  36   3.872  -5.017  -5.556
  301   3HD2  LEU  36          HD23      LEU  36   4.529  -4.008  -4.255
  302    H    GLU  37           H        GLU  37   9.398  -3.577  -6.276
  303    HA   GLU  37           HA       GLU  37  10.758  -6.123  -6.414
  304   1HB   GLU  37          HB2       GLU  37  11.784  -3.243  -6.647
  305   2HB   GLU  37          HB3       GLU  37  12.697  -4.686  -7.025
  306   1HG   GLU  37          HG2       GLU  37  10.104  -3.832  -8.420
  307   2HG   GLU  37          HG3       GLU  37  11.741  -3.572  -9.033
  308    H    GLU  38           H        GLU  38  11.448  -3.139  -4.546
  309    HA   GLU  38           HA       GLU  38  13.398  -4.504  -2.912
  310   1HB   GLU  38          HB2       GLU  38  12.275  -1.688  -2.823
  311   2HB   GLU  38          HB3       GLU  38  13.660  -2.283  -1.913
  312   1HG   GLU  38          HG2       GLU  38  15.058  -2.315  -3.748
  313   2HG   GLU  38          HG3       GLU  38  13.784  -2.760  -4.878
  314    H    HIS  39           HN       HIS  39  11.068  -5.806  -2.409
  315    HA   HIS  39           HA       HIS  39  10.560  -5.199   0.479
  316   1HB   HIS  39          HB2       HIS  39   8.676  -4.364  -0.724
  317   2HB   HIS  39          HB3       HIS  39   8.520  -5.862  -1.658
  318    HD1  HIS  39           HD1      HIS  39   6.506  -7.184  -0.741
  319    HD2  HIS  39           HD2      HIS  39   8.534  -4.889   2.135
  320    HE1  HIS  39           HE1      HIS  39   5.173  -7.378   1.405
  321    HA   PRO  40           HA       PRO  40  11.814  -9.560   0.753
  322   1HB   PRO  40          HB2       PRO  40  10.257  -9.123   3.337
  323   2HB   PRO  40          HB3       PRO  40  11.712 -10.128   3.071
  324   1HG   PRO  40          HG2       PRO  40  12.009  -7.638   4.049
  325   2HG   PRO  40          HG3       PRO  40  13.045  -8.140   2.682
  326   1HD   PRO  40          HD2       PRO  40  10.510  -6.482   2.588
  327   2HD   PRO  40          HD3       PRO  40  12.081  -6.199   1.777
  328    H    GLY  41           H        GLY  41   8.434  -8.465   1.323
  329   1HA   GLY  41          HA1       GLY  41   7.169 -11.006   0.973
  330   2HA   GLY  41          HA2       GLY  41   6.428  -9.441   0.749
  331    H    GLY  42           H        GLY  42   8.534  -8.721  -1.428
  332   1HA   GLY  42          HA1       GLY  42   8.638  -8.861  -3.733
  333   2HA   GLY  42          HA2       GLY  42   7.826 -10.429  -3.663
  334    H    GLU  43           H        GLU  43   7.178  -8.912  -5.702
  335    HA   GLU  43           HA       GLU  43   5.146  -6.987  -5.331
  336   1HB   GLU  43          HB2       GLU  43   6.536  -7.155  -7.332
  337   2HB   GLU  43          HB3       GLU  43   5.803  -8.650  -7.791
  338   1HG   GLU  43          HG2       GLU  43   3.885  -6.417  -7.399
  339   2HG   GLU  43          HG3       GLU  43   5.055  -6.267  -8.746
  340    H    GLU  44           H        GLU  44   4.766 -10.379  -6.489
  341    HA   GLU  44           HA       GLU  44   2.209 -10.625  -6.851
  342   1HB   GLU  44          HB2       GLU  44   3.780 -12.684  -5.224
  343   2HB   GLU  44          HB3       GLU  44   2.288 -12.978  -6.126
  344   1HG   GLU  44          HG2       GLU  44   3.473 -12.300  -8.231
  345   2HG   GLU  44          HG3       GLU  44   4.984 -12.183  -7.312
  346    H    VAL  45           H        VAL  45   3.384 -11.227  -3.495
  347    HA   VAL  45           HA       VAL  45   0.730 -11.489  -2.529
  348    HB   VAL  45           HB       VAL  45   2.783 -12.494  -1.542
  349   1HG1  VAL  45          HG11      VAL  45   3.258  -9.814  -0.179
  350   2HG1  VAL  45          HG12      VAL  45   4.214 -11.295  -0.043
  351   3HG1  VAL  45          HG13      VAL  45   4.184 -10.392  -1.571
  352   1HG2  VAL  45          HG21      VAL  45   2.048 -12.362   0.791
  353   2HG2  VAL  45          HG22      VAL  45   1.050 -10.945   0.418
  354   3HG2  VAL  45          HG23      VAL  45   0.669 -12.515  -0.314
  355    H    LEU  46           H        LEU  46   2.886  -8.645  -2.819
  356    HA   LEU  46           HA       LEU  46   1.183  -6.859  -1.249
  357   1HB   LEU  46          HB2       LEU  46   3.353  -6.396  -3.339
  358   2HB   LEU  46          HB3       LEU  46   2.378  -5.087  -2.682
  359    HG   LEU  46           HG       LEU  46   4.121  -6.911  -0.984
  360   1HD1  LEU  46          HD11      LEU  46   5.512  -5.550  -2.467
  361   2HD1  LEU  46          HD12      LEU  46   4.545  -4.100  -2.091
  362   3HD1  LEU  46          HD13      LEU  46   5.565  -4.801  -0.857
  363   1HD2  LEU  46          HD21      LEU  46   2.663  -4.285  -0.384
  364   2HD2  LEU  46          HD22      LEU  46   2.295  -5.870   0.325
  365   3HD2  LEU  46          HD23      LEU  46   3.832  -5.074   0.684
  366    H    ARG  47           H        ARG  47   1.346  -8.013  -4.583
  367    HA   ARG  47           HA       ARG  47  -0.315  -5.989  -5.719
  368   1HB   ARG  47          HB2       ARG  47   1.310  -7.234  -6.988
  369   2HB   ARG  47          HB3       ARG  47   0.486  -8.764  -6.702
  370   1HG   ARG  47          HG2       ARG  47  -1.359  -8.236  -8.042
  371   2HG   ARG  47          HG3       ARG  47  -1.011  -6.489  -8.002
  372   1HD   ARG  47          HD2       ARG  47   1.006  -6.769  -9.235
  373   2HD   ARG  47          HD3       ARG  47   0.844  -8.544  -9.283
  374    HE   ARG  47           HE       ARG  47  -1.497  -7.646 -10.390
  375   1HH1  ARG  47          HH22      ARG  47   1.955  -7.124 -11.098
  376   2HH1  ARG  47          HH21      ARG  47   1.682  -6.652 -12.751
  377   1HH2  ARG  47          HH11      ARG  47  -1.867  -7.021 -12.546
  378   2HH2  ARG  47          HH12      ARG  47  -0.618  -6.269 -13.479
  379    H    GLU  48           H        GLU  48  -0.866  -9.327  -4.660
  380    HA   GLU  48           HA       GLU  48  -3.618  -9.668  -4.983
  381   1HB   GLU  48          HB2       GLU  48  -1.955 -11.319  -4.130
  382   2HB   GLU  48          HB3       GLU  48  -1.777 -10.348  -2.669
  383   1HG   GLU  48          HG2       GLU  48  -3.150 -12.235  -2.128
  384   2HG   GLU  48          HG3       GLU  48  -4.237 -10.844  -2.158
  385    H    GLN  49           H        GLN  49  -1.860  -7.878  -2.462
  386    HA   GLN  49           HA       GLN  49  -4.246  -7.186  -0.917
  387   1HB   GLN  49          HB2       GLN  49  -1.284  -7.034  -0.660
  388   2HB   GLN  49          HB3       GLN  49  -2.088  -5.592  -0.091
  389   1HG   GLN  49          HG2       GLN  49  -1.767  -7.189   1.703
  390   2HG   GLN  49          HG3       GLN  49  -3.482  -6.861   1.433
  391   1HE2  GLN  49          HE21      GLN  49  -1.497  -9.176  -0.575
  392   2HE2  GLN  49          HE22      GLN  49  -2.445 -10.549  -0.051
  393    H    ALA  50           H        ALA  50  -2.167  -5.664  -3.283
  394    HA   ALA  50           HA       ALA  50  -2.868  -2.973  -2.805
  395   1HB   ALA  50          HB1       ALA  50  -1.788  -4.293  -5.314
  396   2HB   ALA  50          HB2       ALA  50  -1.854  -2.545  -5.039
  397   3HB   ALA  50          HB3       ALA  50  -0.851  -3.567  -3.992
  398    H    GLY  51           H        GLY  51  -3.920  -1.519  -4.363
  399   1HA   GLY  51          HA1       GLY  51  -6.041  -0.718  -4.517
  400   2HA   GLY  51          HA2       GLY  51  -6.143  -1.761  -5.949
  401    H    GLY  52           H        GLY  52  -5.847  -1.986  -2.370
  402   1HA   GLY  52          HA1       GLY  52  -8.563  -2.313  -1.810
  403   2HA   GLY  52          HA2       GLY  52  -7.724  -3.899  -1.747
  404    H    ASP  53           H        ASP  53  -8.429  -3.351   0.503
  405    HA   ASP  53           HA       ASP  53  -6.622  -1.722   2.122
  406   1HB   ASP  53          HB2       ASP  53  -7.910  -2.609   4.032
  407   2HB   ASP  53          HB3       ASP  53  -8.984  -1.914   2.807
  408    H    ALA  54           H        ALA  54  -4.924  -2.383   3.182
  409    HA   ALA  54           HA       ALA  54  -4.348  -5.320   3.452
  410   1HB   ALA  54          HB1       ALA  54  -3.129  -4.368   1.489
  411   2HB   ALA  54          HB2       ALA  54  -2.320  -3.225   2.571
  412   3HB   ALA  54          HB3       ALA  54  -2.067  -4.974   2.779
  413    H    THR  55           H        THR  55  -5.416  -3.061   5.188
  414    HA   THR  55           HA       THR  55  -3.344  -2.148   6.900
  415    HB   THR  55           HB       THR  55  -6.318  -2.472   7.550
  416    HG1  THR  55           HG1      THR  55  -5.439  -1.081   5.607
  417   1HG2  THR  55          HG21      THR  55  -4.112  -0.666   8.614
  418   2HG2  THR  55          HG22      THR  55  -5.835  -0.520   9.053
  419   3HG2  THR  55          HG23      THR  55  -4.917  -1.958   9.530
  420    H    GLU  56           H        GLU  56  -5.695  -4.859   7.312
  421    HA   GLU  56           HA       GLU  56  -4.808  -5.710   9.839
  422   1HB   GLU  56          HB2       GLU  56  -6.982  -6.296   8.758
  423   2HB   GLU  56          HB3       GLU  56  -6.132  -7.292   7.567
  424   1HG   GLU  56          HG2       GLU  56  -5.318  -8.764   9.380
  425   2HG   GLU  56          HG3       GLU  56  -6.097  -7.721  10.586
  426    H    ASN  57           H        ASN  57  -4.124  -6.987   6.544
  427    HA   ASN  57           HA       ASN  57  -2.234  -8.875   7.218
  428   1HB   ASN  57          HB2       ASN  57  -3.326  -8.357   4.976
  429   2HB   ASN  57          HB3       ASN  57  -2.051  -7.161   4.709
  430   1HD2  ASN  57          HD21      ASN  57  -2.695  -9.744   3.251
  431   2HD2  ASN  57          HD22      ASN  57  -1.207 -10.675   3.376
  432    H    PHE  58           H        PHE  58  -1.580  -5.410   6.473
  433    HA   PHE  58           HA       PHE  58   1.218  -5.471   6.782
  434   1HB   PHE  58          HB2       PHE  58  -0.028  -3.578   5.848
  435   2HB   PHE  58          HB3       PHE  58  -0.776  -3.264   7.407
  436    HD1  PHE  58           HD1      PHE  58   0.151  -1.504   8.677
  437    HD2  PHE  58           HD2      PHE  58   2.670  -3.674   5.928
  438    HE1  PHE  58           HE1      PHE  58   1.933   0.179   8.978
  439    HE2  PHE  58           HE2      PHE  58   4.496  -2.038   6.312
  440    HZ   PHE  58           HZ       PHE  58   4.128  -0.095   7.818
  441    H    GLU  59           H        GLU  59  -1.285  -4.706   9.263
  442    HA   GLU  59           HA       GLU  59   0.589  -4.198  11.343
  443   1HB   GLU  59          HB2       GLU  59  -1.850  -3.475  11.134
  444   2HB   GLU  59          HB3       GLU  59  -2.337  -5.096  11.604
  445   1HG   GLU  59          HG2       GLU  59  -2.391  -3.549  13.523
  446   2HG   GLU  59          HG3       GLU  59  -1.187  -4.821  13.784
  447    H    ASP  60           H        ASP  60  -1.528  -6.895  10.748
  448    HA   ASP  60           HA       ASP  60  -0.937  -8.916  12.468
  449   1HB   ASP  60          HB2       ASP  60  -2.582  -9.032  10.565
  450   2HB   ASP  60          HB3       ASP  60  -1.236  -9.107   9.443
  451    H    HIS  61           H        HIS  61   0.873  -8.322   9.410
  452    HA   HIS  61           HA       HIS  61   2.979 -10.190  10.092
  453   1HB   HIS  61          HB2       HIS  61   2.647  -8.119   7.903
  454   2HB   HIS  61          HB3       HIS  61   4.038  -9.197   8.021
  455    HD1  HIS  61           HD1      HIS  61   0.646 -10.864   8.771
  456    HD2  HIS  61           HD2      HIS  61   3.472 -10.280   5.698
  457    HE1  HIS  61           HE1      HIS  61   0.123 -12.550   6.971
  458    H    GLY  62           H        GLY  62   2.521  -7.632  11.905
  459   1HA   GLY  62          HA1       GLY  62   3.913  -6.717  13.423
  460   2HA   GLY  62          HA2       GLY  62   5.290  -7.556  12.696
  461    H    HIS  63           HN       HIS  63   6.011  -6.649  10.575
  462    HA   HIS  63           HA       HIS  63   7.183  -5.060   9.546
  463   1HB   HIS  63          HB2       HIS  63   4.491  -3.705   9.780
  464   2HB   HIS  63          HB3       HIS  63   5.848  -2.938   8.960
  465    HD1  HIS  63           HD1      HIS  63   3.345  -5.720   8.397
  466    HD2  HIS  63           HD2      HIS  63   6.922  -4.175   6.827
  467    HE1  HIS  63           HE1      HIS  63   3.576  -6.687   6.046
  468    H    SER  64           H        SER  64   8.947  -4.006  10.165
  469    HA   SER  64           HA       SER  64   9.123  -3.043  12.841
  470   1HB   SER  64          HB2       SER  64  11.035  -4.014  11.536
  471   2HB   SER  64          HB3       SER  64  11.110  -2.516  10.598
  472    HG   SER  64           HG       SER  64  12.281  -1.804  12.218
  473    H    THR  65           H        THR  65  10.136  -0.946  13.354
  474    HA   THR  65           HA       THR  65   8.364   1.284  12.901
  475    HB   THR  65           HB       THR  65  10.140   2.591  14.024
  476    HG1  THR  65           HG1      THR  65  11.702   0.242  13.639
  477   1HG2  THR  65          HG21      THR  65   9.745  -0.125  15.369
  478   2HG2  THR  65          HG22      THR  65  10.178   1.403  16.153
  479   3HG2  THR  65          HG23      THR  65   8.584   1.220  15.397
  480    H    ASP  66           H        ASP  66  11.613   0.508  11.603
  481    HA   ASP  66           HA       ASP  66  12.094   2.311   9.679
  482   1HB   ASP  66          HB2       ASP  66  12.197  -0.696   9.138
  483   2HB   ASP  66          HB3       ASP  66  13.256   0.566   8.504
  484    H    ALA  67           H        ALA  67   9.948  -0.521   9.148
  485    HA   ALA  67           HA       ALA  67   9.255   0.091   6.484
  486   1HB   ALA  67          HB1       ALA  67   7.905  -1.715   8.534
  487   2HB   ALA  67          HB2       ALA  67   7.543  -1.688   6.805
  488   3HB   ALA  67          HB3       ALA  67   9.153  -2.188   7.369
  489    H    ARG  68           H        ARG  68   7.754   0.609   9.629
  490    HA   ARG  68           HA       ARG  68   5.324   1.866   8.885
  491   1HB   ARG  68          HB2       ARG  68   7.019   1.516  11.252
  492   2HB   ARG  68          HB3       ARG  68   6.253   3.075  11.303
  493   1HG   ARG  68          HG2       ARG  68   4.767   1.601  12.398
  494   2HG   ARG  68          HG3       ARG  68   4.044   1.759  10.792
  495   1HD   ARG  68          HD2       ARG  68   5.307  -0.393  10.161
  496   2HD   ARG  68          HD3       ARG  68   5.832  -0.489  11.829
  497    HE   ARG  68           HE       ARG  68   2.968  -0.591  10.896
  498   1HH1  ARG  68          HH22      ARG  68   5.367  -2.216  12.853
  499   2HH1  ARG  68          HH21      ARG  68   4.244  -2.749  14.029
  500   1HH2  ARG  68          HH11      ARG  68   1.389  -1.520  12.414
  501   2HH2  ARG  68          HH12      ARG  68   1.938  -2.410  13.708
  502    H    GLU  69           H        GLU  69   8.377   3.520   9.817
  503    HA   GLU  69           HA       GLU  69   7.807   6.091   9.004
  504   1HB   GLU  69          HB2       GLU  69   9.969   4.836  10.093
  505   2HB   GLU  69          HB3       GLU  69  10.576   5.058   8.457
  506   1HG   GLU  69          HG2       GLU  69  11.228   6.922   9.896
  507   2HG   GLU  69          HG3       GLU  69  10.082   7.515   8.682
  508    H    LEU  70           H        LEU  70   9.270   3.494   7.012
  509    HA   LEU  70           HA       LEU  70   9.387   4.882   4.620
  510   1HB   LEU  70          HB2       LEU  70   9.226   1.990   5.399
  511   2HB   LEU  70          HB3       LEU  70   8.604   2.271   3.849
  512    HG   LEU  70           HG       LEU  70  10.784   1.741   3.408
  513   1HD1  LEU  70          HD11      LEU  70  11.711   3.571   2.296
  514   2HD1  LEU  70          HD12      LEU  70  10.007   4.060   2.475
  515   3HD1  LEU  70          HD13      LEU  70  11.243   4.727   3.553
  516   1HD2  LEU  70          HD21      LEU  70  12.753   2.647   4.616
  517   2HD2  LEU  70          HD22      LEU  70  11.659   3.521   5.714
  518   3HD2  LEU  70          HD23      LEU  70  11.646   1.741   5.662
  519    H    SER  71           H        SER  71   6.569   3.179   5.987
  520    HA   SER  71           HA       SER  71   4.892   3.604   3.699
  521   1HB   SER  71          HB2       SER  71   3.198   2.680   4.944
  522   2HB   SER  71          HB3       SER  71   4.580   2.034   5.806
  523    HG   SER  71           HG       SER  71   4.329   3.799   7.289
  524    H    LYS  72           H        LYS  72   5.788   5.686   6.400
  525    HA   LYS  72           HA       LYS  72   3.710   7.645   6.008
  526   1HB   LYS  72          HB2       LYS  72   6.541   8.283   6.922
  527   2HB   LYS  72          HB3       LYS  72   5.068   9.216   7.174
  528   1HG   LYS  72          HG2       LYS  72   4.127   7.318   8.480
  529   2HG   LYS  72          HG3       LYS  72   5.663   6.466   8.317
  530   1HD   LYS  72          HD2       LYS  72   6.831   8.465   9.281
  531   2HD   LYS  72          HD3       LYS  72   5.258   9.169   9.692
  532   1HE   LYS  72          HE2       LYS  72   4.784   7.360  11.270
  533   2HE   LYS  72          HE3       LYS  72   6.127   6.396  10.634
  534   1HZ   LYS  72          HZ1       LYS  72   6.307   8.421  12.635
  535   2HZ   LYS  72          HZ2       LYS  72   7.383   7.227  12.136
  536   3HZ   LYS  72          HZ3       LYS  72   7.403   8.588  11.383
  537    H    THR  73           H        THR  73   7.001   7.371   4.769
  538    HA   THR  73           HA       THR  73   6.687   9.694   3.061
  539    HB   THR  73           HB       THR  73   8.893   8.930   3.905
  540    HG1  THR  73           HG1      THR  73   8.362   9.482   1.182
  541   1HG2  THR  73          HG21      THR  73   8.713   6.870   1.673
  542   2HG2  THR  73          HG22      THR  73  10.216   7.432   2.433
  543   3HG2  THR  73          HG23      THR  73   8.996   6.622   3.411
  544    H    PHE  74           H        PHE  74   5.546   6.487   2.651
  545    HA   PHE  74           HA       PHE  74   5.261   6.779  -0.290
  546   1HB   PHE  74          HB2       PHE  74   4.133   4.671   1.539
  547   2HB   PHE  74          HB3       PHE  74   4.248   4.604  -0.209
  548    HD1  PHE  74           HD1      PHE  74   7.319   5.615  -0.180
  549    HD2  PHE  74           HD2      PHE  74   5.031   2.471   1.654
  550    HE1  PHE  74           HE1      PHE  74   9.338   4.176  -0.107
  551    HE2  PHE  74           HE2      PHE  74   6.981   0.963   1.493
  552    HZ   PHE  74           HZ       PHE  74   9.176   1.857   0.844
  553    H    ILE  75           H        ILE  75   3.493   7.702   2.560
  554    HA   ILE  75           HA       ILE  75   0.830   7.353   1.684
  555    HB   ILE  75           HB       ILE  75   2.072   9.595   3.305
  556   1HG1  ILE  75          HG12      ILE  75   0.058   7.431   4.071
  557   2HG1  ILE  75          HG13      ILE  75   1.793   7.180   4.106
  558   1HG2  ILE  75          HG21      ILE  75  -0.888   9.225   2.661
  559   2HG2  ILE  75          HG22      ILE  75  -0.250  10.300   3.918
  560   3HG2  ILE  75          HG23      ILE  75   0.116  10.633   2.240
  561   1HD1  ILE  75          HD11      ILE  75   1.102   7.764   6.341
  562   2HD1  ILE  75          HD12      ILE  75   2.004   9.150   5.686
  563   3HD1  ILE  75          HD13      ILE  75   0.236   9.201   5.777
  564    H    ILE  76           H        ILE  76  -0.360   8.036   0.049
  565    HA   ILE  76           HA       ILE  76   0.350  10.656  -1.250
  566    HB   ILE  76           HB       ILE  76  -0.453   9.872  -3.337
  567   1HG1  ILE  76          HG12      ILE  76  -0.790   7.173  -3.375
  568   2HG1  ILE  76          HG13      ILE  76  -1.470   7.514  -1.792
  569   1HG2  ILE  76          HG21      ILE  76   1.425   7.741  -2.279
  570   2HG2  ILE  76          HG22      ILE  76   1.269   8.335  -3.939
  571   3HG2  ILE  76          HG23      ILE  76   1.915   9.402  -2.680
  572   1HD1  ILE  76          HD11      ILE  76  -3.178   7.538  -3.587
  573   2HD1  ILE  76          HD12      ILE  76  -3.051   9.143  -2.865
  574   3HD1  ILE  76          HD13      ILE  76  -2.289   8.818  -4.432
  575    H    GLY  77           H        GLY  77  -2.037   8.963   0.614
  576   1HA   GLY  77          HA1       GLY  77  -4.242  10.875  -0.079
  577   2HA   GLY  77          HA2       GLY  77  -4.269   9.247  -0.770
  578    H    GLU  78           H        GLU  78  -6.378   9.722   0.604
  579    HA   GLU  78           HA       GLU  78  -5.987   7.602   2.496
  580   1HB   GLU  78          HB2       GLU  78  -7.825   9.992   2.970
  581   2HB   GLU  78          HB3       GLU  78  -7.809   8.541   3.992
  582   1HG   GLU  78          HG2       GLU  78  -5.321   9.315   4.478
  583   2HG   GLU  78          HG3       GLU  78  -5.948  10.887   4.008
  584    H    LEU  79           H        LEU  79  -7.962   6.476   2.810
  585    HA   LEU  79           HA       LEU  79  -9.485   6.036   0.450
  586   1HB   LEU  79          HB2       LEU  79  -8.834   4.516   2.542
  587   2HB   LEU  79          HB3       LEU  79 -10.325   5.160   3.216
  588    HG   LEU  79           HG       LEU  79  -9.821   3.269   0.939
  589   1HD1  LEU  79          HD11      LEU  79 -12.042   3.561   2.988
  590   2HD1  LEU  79          HD12      LEU  79 -11.693   2.103   2.028
  591   3HD1  LEU  79          HD13      LEU  79 -10.550   2.630   3.290
  592   1HD2  LEU  79          HD21      LEU  79 -11.173   4.884  -0.293
  593   2HD2  LEU  79          HD22      LEU  79 -12.090   3.441   0.100
  594   3HD2  LEU  79          HD23      LEU  79 -12.361   4.920   1.051
  595    H    HIS  80           H        HIS  80 -11.168   7.152  -0.253
  596    HA   HIS  80           HA       HIS  80 -11.915   9.410   1.028
  597   1HB   HIS  80          HB2       HIS  80 -12.107   9.044  -1.408
  598   2HB   HIS  80          HB3       HIS  80 -13.524   7.993  -1.120
  599    HD1  HIS  80           HD1      HIS  80 -15.842   9.397  -0.950
  600    HD2  HIS  80           HD2      HIS  80 -12.335  11.384   0.002
  601    HE1  HIS  80           HE1      HIS  80 -16.532  11.709  -0.093
  602    HA   PRO  81           HA       PRO  81 -14.492   7.739   3.911
  603   1HB   PRO  81          HB2       PRO  81 -15.793  10.565   4.160
  604   2HB   PRO  81          HB3       PRO  81 -15.293   9.547   5.481
  605   1HG   PRO  81          HG2       PRO  81 -13.732  11.686   4.550
  606   2HG   PRO  81          HG3       PRO  81 -12.858  10.126   4.798
  607   1HD   PRO  81          HD2       PRO  81 -14.196  11.208   2.328
  608   2HD   PRO  81          HD3       PRO  81 -12.524  10.657   2.518
  609    H    ASP  82           H        ASP  82 -16.063   8.916   1.434
  610    HA   ASP  82           HA       ASP  82 -18.800   8.581   2.310
  611   1HB   ASP  82          HB2       ASP  82 -18.158   9.963   0.293
  612   2HB   ASP  82          HB3       ASP  82 -17.648   8.468  -0.534
  613    H    ASP  83           H        ASP  83 -16.118   6.594   1.596
  614    HA   ASP  83           HA       ASP  83 -17.240   4.114   0.829
  615   1HB   ASP  83          HB2       ASP  83 -14.922   5.242   0.562
  616   2HB   ASP  83          HB3       ASP  83 -14.604   4.983   2.207
  617    H    ARG  84           H        ARG  84 -15.258   3.455   3.187
  618    HA   ARG  84           HA       ARG  84 -15.161   2.690   5.273
  619   1HB   ARG  84          HB2       ARG  84 -17.444   4.582   5.936
  620   2HB   ARG  84          HB3       ARG  84 -16.232   3.922   7.043
  621   1HG   ARG  84          HG2       ARG  84 -14.442   5.112   5.702
  622   2HG   ARG  84          HG3       ARG  84 -15.713   5.827   4.705
  623   1HD   ARG  84          HD2       ARG  84 -15.142   7.440   6.383
  624   2HD   ARG  84          HD3       ARG  84 -16.766   6.803   6.723
  625    HE   ARG  84           HE       ARG  84 -14.613   5.337   8.065
  626   1HH1  ARG  84          HH22      ARG  84 -16.685   8.164   8.390
  627   2HH1  ARG  84          HH21      ARG  84 -16.361   8.399  10.084
  628   1HH2  ARG  84          HH11      ARG  84 -14.084   5.622  10.129
  629   2HH2  ARG  84          HH12      ARG  84 -14.825   6.831  11.169
  630    HHA  HEM 201           HGM      HEM 201   9.268  -8.711   5.688
  631    HHB  HEM 201           HDM      HEM 201   9.076  -2.359   4.604
  632    HHC  HEM 201           HAM      HEM 201   2.874  -2.863   3.002
  633    HHD  HEM 201           HBM      HEM 201   3.294  -9.303   3.320
  634   1HMA  HEM 201          HM81      HEM 201  11.169  -3.377   6.608
  635   2HMA  HEM 201          HM82      HEM 201  12.205  -4.310   5.517
  636   3HMA  HEM 201          HM83      HEM 201  11.231  -2.998   4.871
  637   1HAA  HEM 201          HP71      HEM 201  11.193  -7.859   6.290
  638   2HAA  HEM 201          HP72      HEM 201  12.084  -6.282   6.535
  639   1HBA  HEM 201          HP73      HEM 201  11.445  -7.310   8.663
  640   2HBA  HEM 201          HP74      HEM 201   9.681  -7.197   8.167
  641   1HMB  HEM 201          HM11      HEM 201   6.762   0.575   3.804
  642   2HMB  HEM 201          HM12      HEM 201   7.909  -0.281   4.808
  643   3HMB  HEM 201          HM13      HEM 201   8.168  -0.225   3.066
  644    HAB  HEM 201          HT2A      HEM 201   3.962  -1.191   1.686
  645   1HBB  HEM 201          HV2C      HEM 201   4.635   1.043   3.520
  646   2HBB  HEM 201          HV2T      HEM 201   2.954   0.647   2.744
  647   1HMC  HEM 201          HM31      HEM 201   0.140  -4.765   3.682
  648   2HMC  HEM 201          HM32      HEM 201   0.903  -3.680   2.499
  649   3HMC  HEM 201          HM33      HEM 201   0.184  -5.202   1.957
  650    HAC  HEM 201          HT4A      HEM 201   0.152  -7.769   3.247
  651   1HBC  HEM 201          HV4C      HEM 201   1.898  -8.283   0.796
  652   2HBC  HEM 201          HV4T      HEM 201   0.134  -8.821   1.079
  653   1HMD  HEM 201          HM51      HEM 201   5.094 -12.046   4.806
  654   2HMD  HEM 201          HM52      HEM 201   4.110 -11.321   3.531
  655   3HMD  HEM 201          HM53      HEM 201   5.710 -11.960   3.144
  656   1HAD  HEM 201          HP61      HEM 201   7.611 -12.048   4.744
  657   2HAD  HEM 201          HP62      HEM 201   8.956 -10.833   4.541
  658   1HBD  HEM 201          HP63      HEM 201   8.170 -10.236   7.077
  659   2HBD  HEM 201          HP64      HEM 201   7.710 -12.007   6.996
  Start of MODEL   11
    1   1H    ALA   3          H1        ALA   3 -10.706  16.898   0.613
    2   2H    ALA   3          H2        ALA   3 -11.683  16.663   1.886
    3   3H    ALA   3          H3        ALA   3 -11.821  18.077   1.021
    4    HA   ALA   3           HA       ALA   3 -10.545  18.170   3.208
    5   1HB   ALA   3          HB1       ALA   3  -9.123  19.022   0.637
    6   2HB   ALA   3          HB2       ALA   3 -10.359  19.970   1.495
    7   3HB   ALA   3          HB3       ALA   3  -8.795  19.648   2.264
    8    H    VAL   4           H        VAL   4  -7.989  17.968   3.718
    9    HA   VAL   4           HA       VAL   4  -6.062  16.816   3.775
   10    HB   VAL   4           HB       VAL   4  -7.465  14.184   3.151
   11   1HG1  VAL   4          HG11      VAL   4  -5.888  13.406   4.876
   12   2HG1  VAL   4          HG12      VAL   4  -4.964  14.353   3.691
   13   3HG1  VAL   4          HG13      VAL   4  -5.410  15.069   5.251
   14   1HG2  VAL   4          HG21      VAL   4  -8.181  13.974   5.392
   15   2HG2  VAL   4          HG22      VAL   4  -7.885  15.724   5.662
   16   3HG2  VAL   4          HG23      VAL   4  -9.070  15.172   4.437
   17    H    LYS   5           H        LYS   5  -6.323  14.182   1.593
   18    HA   LYS   5           HA       LYS   5  -6.897  15.990  -0.660
   19   1HB   LYS   5          HB2       LYS   5  -4.472  15.214  -0.700
   20   2HB   LYS   5          HB3       LYS   5  -5.077  13.551  -0.812
   21   1HG   LYS   5          HG2       LYS   5  -6.407  14.389  -2.892
   22   2HG   LYS   5          HG3       LYS   5  -5.381  15.833  -2.824
   23   1HD   LYS   5          HD2       LYS   5  -4.459  12.932  -3.005
   24   2HD   LYS   5          HD3       LYS   5  -4.574  14.065  -4.376
   25   1HE   LYS   5          HE2       LYS   5  -2.796  15.432  -3.545
   26   2HE   LYS   5          HE3       LYS   5  -2.726  14.554  -2.004
   27   1HZ   LYS   5          HZ1       LYS   5  -2.244  13.160  -4.547
   28   2HZ   LYS   5          HZ2       LYS   5  -1.030  13.896  -3.680
   29   3HZ   LYS   5          HZ3       LYS   5  -1.917  12.675  -3.033
   30    H    TYR   6           H        TYR   6  -6.826  12.704   0.570
   31    HA   TYR   6           HA       TYR   6  -7.865  10.871   0.136
   32   1HB   TYR   6          HB2       TYR   6 -10.447  12.521  -0.147
   33   2HB   TYR   6          HB3       TYR   6 -10.225  10.795  -0.191
   34    HD1  TYR   6           HD1      TYR   6  -9.611   9.482   1.568
   35    HD2  TYR   6           HD2      TYR   6 -10.337  13.652   2.145
   36    HE1  TYR   6           HE1      TYR   6  -9.347   9.137   3.912
   37    HE2  TYR   6           HE2      TYR   6 -10.440  13.272   4.610
   38    HH   TYR   6           HH       TYR   6  -9.634  10.110   6.066
   39    H    TYR   7           H        TYR   7  -8.466   9.407  -1.117
   40    HA   TYR   7           HA       TYR   7  -8.545   9.639  -4.020
   41   1HB   TYR   7          HB2       TYR   7  -6.497   8.895  -1.979
   42   2HB   TYR   7          HB3       TYR   7  -6.796   7.620  -2.957
   43    HD1  TYR   7           HD1      TYR   7  -4.247   8.049  -3.287
   44    HD2  TYR   7           HD2      TYR   7  -7.104  10.989  -4.636
   45    HE1  TYR   7           HE1      TYR   7  -2.439   9.362  -4.367
   46    HE2  TYR   7           HE2      TYR   7  -5.329  12.344  -5.505
   47    HH   TYR   7           HH       TYR   7  -2.012  11.177  -5.821
   48    H    THR   8           H        THR   8  -9.720   8.072  -4.884
   49    HA   THR   8           HA       THR   8 -11.707   7.016  -3.031
   50    HB   THR   8           HB       THR   8 -12.902   6.672  -5.288
   51    HG1  THR   8           HG1      THR   8 -11.797   7.840  -7.004
   52   1HG2  THR   8          HG21      THR   8 -11.809   9.463  -4.681
   53   2HG2  THR   8          HG22      THR   8 -13.260   9.088  -5.630
   54   3HG2  THR   8          HG23      THR   8 -13.220   8.716  -3.896
   55    H    LEU   9           H        LEU   9 -12.199   4.718  -2.802
   56    HA   LEU   9           HA       LEU   9 -10.642   2.571  -3.553
   57   1HB   LEU   9          HB2       LEU   9 -12.334   2.221  -2.217
   58   2HB   LEU   9          HB3       LEU   9 -13.607   2.894  -3.240
   59    HG   LEU   9           HG       LEU   9 -12.028   0.412  -4.064
   60   1HD1  LEU   9          HD11      LEU   9 -13.694  -1.002  -2.916
   61   2HD1  LEU   9          HD12      LEU   9 -12.742  -0.041  -1.777
   62   3HD1  LEU   9          HD13      LEU   9 -14.405   0.447  -2.168
   63   1HD2  LEU   9          HD21      LEU   9 -14.928   1.275  -4.538
   64   2HD2  LEU   9          HD22      LEU   9 -13.638   1.326  -5.752
   65   3HD2  LEU   9          HD23      LEU   9 -14.191  -0.224  -5.131
   66    H    GLU  10           H        GLU  10 -12.993   4.220  -5.684
   67    HA   GLU  10           HA       GLU  10 -12.757   2.809  -8.019
   68   1HB   GLU  10          HB2       GLU  10 -14.046   4.925  -7.637
   69   2HB   GLU  10          HB3       GLU  10 -12.558   5.850  -7.761
   70   1HG   GLU  10          HG2       GLU  10 -13.808   5.925  -9.862
   71   2HG   GLU  10          HG3       GLU  10 -12.240   5.144 -10.088
   72    H    GLU  11           H        GLU  11 -10.455   5.325  -6.881
   73    HA   GLU  11           HA       GLU  11  -8.557   4.816  -9.038
   74   1HB   GLU  11          HB2       GLU  11  -8.383   6.408  -6.429
   75   2HB   GLU  11          HB3       GLU  11  -6.974   5.990  -7.381
   76   1HG   GLU  11          HG2       GLU  11  -9.310   7.516  -8.542
   77   2HG   GLU  11          HG3       GLU  11  -7.892   8.255  -7.782
   78    H    ILE  12           H        ILE  12  -8.695   3.958  -5.521
   79    HA   ILE  12           HA       ILE  12  -6.125   2.935  -5.551
   80    HB   ILE  12           HB       ILE  12  -8.153   1.554  -3.790
   81   1HG1  ILE  12          HG12      ILE  12  -8.908   3.638  -3.106
   82   2HG1  ILE  12          HG13      ILE  12  -7.594   3.271  -1.998
   83   1HG2  ILE  12          HG21      ILE  12  -5.563   1.159  -3.841
   84   2HG2  ILE  12          HG22      ILE  12  -5.519   2.698  -2.946
   85   3HG2  ILE  12          HG23      ILE  12  -6.409   1.317  -2.284
   86   1HD1  ILE  12          HD11      ILE  12  -6.169   4.862  -3.011
   87   2HD1  ILE  12          HD12      ILE  12  -7.349   5.221  -4.305
   88   3HD1  ILE  12          HD13      ILE  12  -7.717   5.591  -2.616
   89    H    GLN  13           H        GLU  13  -9.136   1.286  -6.319
   90    HA   GLN  13           HA       GLU  13  -8.226  -1.405  -6.582
   91   1HB   GLN  13          HB2       GLU  13 -10.426   0.271  -7.869
   92   2HB   GLN  13          HB3       GLU  13 -10.190  -1.403  -8.337
   93   1HG   GLN  13          HG2       GLU  13 -10.446  -0.722  -5.389
   94   2HG   GLN  13          HG3       GLU  13 -11.889  -0.710  -6.412
   95    H    LYS  14           H        LYS  14  -8.576   1.284  -8.827
   96    HA   LYS  14           HA       LYS  14  -7.679   0.129 -11.220
   97   1HB   LYS  14          HB2       LYS  14  -8.657   2.569 -10.379
   98   2HB   LYS  14          HB3       LYS  14  -7.018   2.976 -10.498
   99   1HG   LYS  14          HG2       LYS  14  -8.112   3.557 -12.564
  100   2HG   LYS  14          HG3       LYS  14  -7.157   2.116 -12.966
  101   1HD   LYS  14          HD2       LYS  14  -9.476   2.122 -13.907
  102   2HD   LYS  14          HD3       LYS  14  -9.173   0.716 -12.878
  103   1HE   LYS  14          HE2       LYS  14 -10.478   1.619 -11.061
  104   2HE   LYS  14          HE3       LYS  14 -10.508   3.239 -11.782
  105   1HZ   LYS  14          HZ1       LYS  14 -11.952   0.859 -12.733
  106   2HZ   LYS  14          HZ2       LYS  14 -12.544   2.213 -12.003
  107   3HZ   LYS  14          HZ3       LYS  14 -11.935   2.335 -13.499
  108    H    HIS  15           H        HIS  15  -5.918   1.824  -8.622
  109    HA   HIS  15           HA       HIS  15  -3.276   1.407  -9.842
  110   1HB   HIS  15          HB2       HIS  15  -4.239   2.642  -7.272
  111   2HB   HIS  15          HB3       HIS  15  -2.526   2.284  -7.658
  112    HD1  HIS  15           HD1      HIS  15  -1.234   4.157  -8.929
  113    HD2  HIS  15           HD2      HIS  15  -5.421   4.578  -8.903
  114    HE1  HIS  15           HE1      HIS  15  -1.747   6.380 -10.001
  115    H    ASN  16           H        ASN  16  -4.097  -0.898  -9.926
  116    HA   ASN  16           HA       ASN  16  -1.972  -2.039  -8.257
  117   1HB   ASN  16          HB2       ASN  16  -3.070  -4.061  -7.602
  118   2HB   ASN  16          HB3       ASN  16  -3.986  -2.667  -7.031
  119   1HD2  ASN  16          HD21      ASN  16  -5.606  -4.453  -6.738
  120   2HD2  ASN  16          HD22      ASN  16  -6.704  -4.708  -8.091
  121    H    ASN  17           H        ASN  17  -2.483  -1.086 -11.063
  122    HA   ASN  17           HA       ASN  17  -1.107  -3.258 -12.408
  123   1HB   ASN  17          HB2       ASN  17  -3.400  -4.142 -12.523
  124   2HB   ASN  17          HB3       ASN  17  -3.975  -2.611 -13.200
  125   1HD2  ASN  17          HD21      ASN  17  -4.716  -4.340 -14.874
  126   2HD2  ASN  17          HD22      ASN  17  -3.584  -4.655 -16.180
  127    H    SER  18           H        SER  18   0.343  -1.410 -12.525
  128    HA   SER  18           HA       SER  18   1.577  -0.451 -14.151
  129   1HB   SER  18          HB2       SER  18   0.096  -1.717 -15.794
  130   2HB   SER  18          HB3       SER  18  -0.816  -0.205 -16.006
  131    HG   SER  18           HG       SER  18   0.935  -0.486 -17.505
  132    H    LYS  19           H        LYS  19  -1.648   0.955 -13.748
  133    HA   LYS  19           HA       LYS  19  -1.322   3.695 -13.607
  134   1HB   LYS  19          HB2       LYS  19  -2.733   1.555 -12.062
  135   2HB   LYS  19          HB3       LYS  19  -2.445   3.003 -11.153
  136   1HG   LYS  19          HG2       LYS  19  -4.088   2.720 -13.648
  137   2HG   LYS  19          HG3       LYS  19  -4.641   3.022 -12.002
  138   1HD   LYS  19          HD2       LYS  19  -3.118   5.217 -12.184
  139   2HD   LYS  19          HD3       LYS  19  -3.307   4.946 -13.904
  140   1HE   LYS  19          HE2       LYS  19  -4.964   6.527 -13.321
  141   2HE   LYS  19          HE3       LYS  19  -5.836   5.011 -13.576
  142   1HZ   LYS  19          HZ1       LYS  19  -5.119   6.186 -10.914
  143   2HZ   LYS  19          HZ2       LYS  19  -6.600   6.227 -11.554
  144   3HZ   LYS  19          HZ3       LYS  19  -5.943   4.805 -11.147
  145    H    SER  20           H        SER  20  -0.713   1.623 -10.752
  146    HA   SER  20           HA       SER  20   1.869   1.981 -10.128
  147   1HB   SER  20          HB2       SER  20   0.586   3.488  -7.958
  148   2HB   SER  20          HB3       SER  20   2.111   3.798  -8.761
  149    HG   SER  20           HG       SER  20   0.864   4.831 -10.427
  150    H    THR  21           H        THR  21   1.881   1.252  -7.639
  151    HA   THR  21           HA       THR  21  -0.376  -0.642  -7.184
  152    HB   THR  21           HB       THR  21   2.389  -0.850  -5.980
  153    HG1  THR  21           HG1      THR  21   1.568  -1.694  -8.558
  154   1HG2  THR  21          HG21      THR  21   0.229  -2.846  -6.829
  155   2HG2  THR  21          HG22      THR  21   1.836  -3.299  -6.254
  156   3HG2  THR  21          HG23      THR  21   0.729  -2.438  -5.171
  157    H    TRP  22           H        TRP  22  -1.792   0.462  -5.985
  158    HA   TRP  22           HA       TRP  22  -1.161   2.205  -3.664
  159   1HB   TRP  22          HB2       TRP  22  -3.453   1.800  -5.485
  160   2HB   TRP  22          HB3       TRP  22  -3.647   2.578  -3.975
  161    HD1  TRP  22           HD1      TRP  22  -0.366   3.269  -5.666
  162    HE1  TRP  22           HE1      TRP  22  -0.204   5.560  -6.659
  163    HE3  TRP  22           HE3      TRP  22  -5.169   4.681  -4.894
  164    HZ2  TRP  22           HZ2      TRP  22  -2.092   7.761  -7.268
  165    HZ3  TRP  22           HZ3      TRP  22  -5.967   6.914  -5.620
  166    HH2  TRP  22           HH2      TRP  22  -4.532   8.338  -7.019
  167    H    LEU  23           H        LEU  23  -1.781   1.600  -1.557
  168    HA   LEU  23           HA       LEU  23  -3.782  -0.551  -1.301
  169   1HB   LEU  23          HB2       LEU  23  -1.786  -0.975   0.765
  170   2HB   LEU  23          HB3       LEU  23  -2.536  -2.093  -0.274
  171    HG   LEU  23           HG       LEU  23  -0.697  -1.172  -2.035
  172   1HD1  LEU  23          HD11      LEU  23  -0.029   0.454  -0.243
  173   2HD1  LEU  23          HD12      LEU  23   0.608  -0.917   0.692
  174   3HD1  LEU  23          HD13      LEU  23   1.281  -0.524  -0.918
  175   1HD2  LEU  23          HD21      LEU  23   0.764  -3.020  -1.329
  176   2HD2  LEU  23          HD22      LEU  23  -0.140  -3.177   0.194
  177   3HD2  LEU  23          HD23      LEU  23  -0.932  -3.541  -1.353
  178    H    ILE  24           H        ILE  24  -4.803  -0.548   0.833
  179    HA   ILE  24           HA       ILE  24  -4.467   2.074   2.215
  180    HB   ILE  24           HB       ILE  24  -6.771   0.185   2.771
  181   1HG1  ILE  24          HG12      ILE  24  -7.179   2.357   0.726
  182   2HG1  ILE  24          HG13      ILE  24  -6.662   0.747   0.202
  183   1HG2  ILE  24          HG21      ILE  24  -7.877   2.261   3.407
  184   2HG2  ILE  24          HG22      ILE  24  -6.377   2.016   4.294
  185   3HG2  ILE  24          HG23      ILE  24  -6.420   3.175   2.951
  186   1HD1  ILE  24          HD11      ILE  24  -9.100   1.034   1.956
  187   2HD1  ILE  24          HD12      ILE  24  -9.142   1.065   0.178
  188   3HD1  ILE  24          HD13      ILE  24  -8.532  -0.356   1.036
  189    H    LEU  25           H        LEU  25  -3.630   2.253   4.089
  190    HA   LEU  25           HA       LEU  25  -3.612  -0.054   5.985
  191   1HB   LEU  25          HB2       LEU  25  -1.417   1.697   5.055
  192   2HB   LEU  25          HB3       LEU  25  -1.425   1.235   6.758
  193    HG   LEU  25           HG       LEU  25  -1.265  -1.105   6.134
  194   1HD1  LEU  25          HD11      LEU  25  -1.437  -0.128   3.275
  195   2HD1  LEU  25          HD12      LEU  25  -0.629  -1.652   3.706
  196   3HD1  LEU  25          HD13      LEU  25  -2.320  -1.440   4.118
  197   1HD2  LEU  25          HD21      LEU  25   0.759   0.681   4.691
  198   2HD2  LEU  25          HD22      LEU  25   0.817   0.214   6.405
  199   3HD2  LEU  25          HD23      LEU  25   1.036  -1.009   5.135
  200    H    HIS  26           H        HIS  26  -5.020   0.626   7.532
  201    HA   HIS  26           HA       HIS  26  -6.058   1.889   9.105
  202   1HB   HIS  26          HB2       HIS  26  -3.749   3.837   9.048
  203   2HB   HIS  26          HB3       HIS  26  -4.816   3.428  10.390
  204    HD1  HIS  26           HD1      HIS  26  -4.267   0.912  11.541
  205    HD2  HIS  26           HD2      HIS  26  -1.498   2.548   8.824
  206    HE1  HIS  26           HE1      HIS  26  -2.075  -0.319  11.904
  207    H    TYR  27           H        TYR  27  -6.671   2.508   6.395
  208    HA   TYR  27           HA       TYR  27  -8.109   3.906   5.356
  209   1HB   TYR  27          HB2       TYR  27  -8.606   4.567   7.923
  210   2HB   TYR  27          HB3       TYR  27  -7.892   6.084   7.369
  211    HD1  TYR  27           HD1      TYR  27  -8.975   7.570   5.904
  212    HD2  TYR  27           HD2      TYR  27 -10.796   3.937   7.308
  213    HE1  TYR  27           HE1      TYR  27 -11.230   8.618   5.708
  214    HE2  TYR  27           HE2      TYR  27 -12.982   5.053   7.330
  215    HH   TYR  27           HH       TYR  27 -14.168   6.840   6.304
  216    H    LYS  28           H        LYS  28  -4.874   4.468   5.805
  217    HA   LYS  28           HA       LYS  28  -4.864   7.012   4.197
  218   1HB   LYS  28          HB2       LYS  28  -2.743   5.733   5.922
  219   2HB   LYS  28          HB3       LYS  28  -2.415   6.964   4.699
  220   1HG   LYS  28          HG2       LYS  28  -2.564   7.897   6.969
  221   2HG   LYS  28          HG3       LYS  28  -3.798   8.599   5.901
  222   1HD   LYS  28          HD2       LYS  28  -5.536   7.340   6.870
  223   2HD   LYS  28          HD3       LYS  28  -4.378   6.128   7.487
  224   1HE   LYS  28          HE2       LYS  28  -3.667   7.602   9.255
  225   2HE   LYS  28          HE3       LYS  28  -4.742   8.895   8.679
  226   1HZ   LYS  28          HZ1       LYS  28  -5.737   6.207   9.377
  227   2HZ   LYS  28          HZ2       LYS  28  -5.630   7.417  10.509
  228   3HZ   LYS  28          HZ3       LYS  28  -6.607   7.574   9.193
  229    H    VAL  29           H        VAL  29  -3.455   6.948   2.283
  230    HA   VAL  29           HA       VAL  29  -3.603   4.224   1.042
  231    HB   VAL  29           HB       VAL  29  -4.153   6.936  -0.130
  232   1HG1  VAL  29          HG11      VAL  29  -2.770   5.667  -1.748
  233   2HG1  VAL  29          HG12      VAL  29  -3.924   4.325  -1.650
  234   3HG1  VAL  29          HG13      VAL  29  -4.431   5.926  -2.255
  235   1HG2  VAL  29          HG21      VAL  29  -5.966   5.603   1.091
  236   2HG2  VAL  29          HG22      VAL  29  -6.305   5.991  -0.614
  237   3HG2  VAL  29          HG23      VAL  29  -5.771   4.361  -0.151
  238    H    TYR  30           H        TYR  30  -1.882   3.450  -0.034
  239    HA   TYR  30           HA       TYR  30   0.707   4.936   0.210
  240   1HB   TYR  30          HB2       TYR  30  -0.315   2.194   1.026
  241   2HB   TYR  30          HB3       TYR  30   1.384   2.489   0.919
  242    HD1  TYR  30           HD1      TYR  30   2.128   4.766   2.284
  243    HD2  TYR  30           HD2      TYR  30  -1.629   2.771   2.842
  244    HE1  TYR  30           HE1      TYR  30   1.801   5.941   4.454
  245    HE2  TYR  30           HE2      TYR  30  -1.896   3.913   5.014
  246    HH   TYR  30           HH       TYR  30   0.589   6.091   6.363
  247    H    ASP  31           H        ASP  31   1.559   5.155  -1.798
  248    HA   ASP  31           HA       ASP  31   1.067   3.135  -3.906
  249   1HB   ASP  31          HB2       ASP  31   0.939   5.686  -4.317
  250   2HB   ASP  31          HB3       ASP  31   2.695   5.693  -4.131
  251    H    LEU  32           H        LEU  32   2.837   1.907  -4.574
  252    HA   LEU  32           HA       LEU  32   5.473   2.494  -3.305
  253   1HB   LEU  32          HB2       LEU  32   4.959  -0.404  -3.519
  254   2HB   LEU  32          HB3       LEU  32   5.866   0.552  -2.351
  255    HG   LEU  32           HG       LEU  32   2.867   0.176  -2.363
  256   1HD1  LEU  32          HD11      LEU  32   5.026  -0.891  -0.466
  257   2HD1  LEU  32          HD12      LEU  32   3.311  -1.329  -0.463
  258   3HD1  LEU  32          HD13      LEU  32   4.333  -1.829  -1.813
  259   1HD2  LEU  32          HD21      LEU  32   2.806   1.969  -1.008
  260   2HD2  LEU  32          HD22      LEU  32   3.525   0.937   0.204
  261   3HD2  LEU  32          HD23      LEU  32   4.580   1.978  -0.785
  262    H    THR  33           H        THR  33   4.282  -0.047  -5.505
  263    HA   THR  33           HA       THR  33   4.921  -0.794  -7.465
  264    HB   THR  33           HB       THR  33   5.299   2.148  -8.069
  265    HG1  THR  33           HG1      THR  33   3.288   0.152  -8.336
  266   1HG2  THR  33          HG21      THR  33   5.179  -0.255  -9.959
  267   2HG2  THR  33          HG22      THR  33   4.971   1.441 -10.444
  268   3HG2  THR  33          HG23      THR  33   6.527   0.893  -9.805
  269    H    LYS  34           H        LYS  34   7.527   1.651  -6.718
  270    HA   LYS  34           HA       LYS  34   9.623   0.037  -7.909
  271   1HB   LYS  34          HB2       LYS  34   9.922   2.417  -7.585
  272   2HB   LYS  34          HB3       LYS  34   9.632   2.278  -5.841
  273   1HG   LYS  34          HG2       LYS  34  11.674   0.997  -5.535
  274   2HG   LYS  34          HG3       LYS  34  11.952   0.924  -7.281
  275   1HD   LYS  34          HD2       LYS  34  12.315   3.306  -7.420
  276   2HD   LYS  34          HD3       LYS  34  11.804   3.570  -5.747
  277   1HE   LYS  34          HE2       LYS  34  14.180   1.803  -6.499
  278   2HE   LYS  34          HE3       LYS  34  14.360   3.538  -6.198
  279   1HZ   LYS  34          HZ1       LYS  34  13.148   1.729  -4.200
  280   2HZ   LYS  34          HZ2       LYS  34  14.703   1.866  -4.279
  281   3HZ   LYS  34          HZ3       LYS  34  13.800   3.225  -3.942
  282    H    PHE  35           H        PHE  35   8.120   0.262  -4.708
  283    HA   PHE  35           HA       PHE  35  10.327  -0.964  -3.328
  284   1HB   PHE  35          HB2       PHE  35   8.464   0.619  -2.367
  285   2HB   PHE  35          HB3       PHE  35   7.477  -0.868  -2.337
  286    HD1  PHE  35           HD1      PHE  35   7.399  -2.058  -0.342
  287    HD2  PHE  35           HD2      PHE  35  10.949   0.213  -1.294
  288    HE1  PHE  35           HE1      PHE  35   8.468  -2.855   1.707
  289    HE2  PHE  35           HE2      PHE  35  12.017  -0.607   0.783
  290    HZ   PHE  35           HZ       PHE  35  10.802  -2.171   2.274
  291    H    LEU  36           H        LEU  36   7.567  -2.129  -4.971
  292    HA   LEU  36           HA       LEU  36   7.065  -4.726  -4.208
  293   1HB   LEU  36          HB2       LEU  36   7.615  -3.598  -6.991
  294   2HB   LEU  36          HB3       LEU  36   6.698  -5.028  -6.657
  295    HG   LEU  36           HG       LEU  36   5.827  -2.244  -6.000
  296   1HD1  LEU  36          HD11      LEU  36   4.732  -4.528  -7.699
  297   2HD1  LEU  36          HD12      LEU  36   3.958  -2.965  -7.503
  298   3HD1  LEU  36          HD13      LEU  36   5.522  -3.090  -8.336
  299   1HD2  LEU  36          HD21      LEU  36   5.195  -3.467  -4.104
  300   2HD2  LEU  36          HD22      LEU  36   3.763  -3.269  -5.099
  301   3HD2  LEU  36          HD23      LEU  36   4.592  -4.841  -5.067
  302    H    GLU  37           H        GLU  37   9.934  -3.551  -6.036
  303    HA   GLU  37           HA       GLU  37  11.271  -6.119  -6.131
  304   1HB   GLU  37          HB2       GLU  37  12.188  -3.213  -6.333
  305   2HB   GLU  37          HB3       GLU  37  13.300  -4.571  -6.457
  306   1HG   GLU  37          HG2       GLU  37  10.851  -4.372  -8.260
  307   2HG   GLU  37          HG3       GLU  37  12.386  -3.580  -8.646
  308    H    GLU  38           H        GLU  38  11.767  -3.217  -4.106
  309    HA   GLU  38           HA       GLU  38  13.788  -4.445  -2.477
  310   1HB   GLU  38          HB2       GLU  38  12.245  -1.848  -2.210
  311   2HB   GLU  38          HB3       GLU  38  13.729  -2.267  -1.357
  312   1HG   GLU  38          HG2       GLU  38  15.045  -2.191  -3.368
  313   2HG   GLU  38          HG3       GLU  38  13.623  -2.176  -4.416
  314    H    HIS  39           HN       HIS  39  11.182  -5.767  -2.205
  315    HA   HIS  39           HA       HIS  39  10.455  -5.192   0.648
  316   1HB   HIS  39          HB2       HIS  39   8.681  -4.559  -0.874
  317   2HB   HIS  39          HB3       HIS  39   8.707  -6.164  -1.622
  318    HD1  HIS  39           HD1      HIS  39   6.513  -7.302  -0.785
  319    HD2  HIS  39           HD2      HIS  39   8.524  -5.026   2.127
  320    HE1  HIS  39           HE1      HIS  39   5.116  -7.427   1.333
  321    HA   PRO  40           HA       PRO  40  11.997  -9.455   1.198
  322   1HB   PRO  40          HB2       PRO  40  10.436  -8.978   3.747
  323   2HB   PRO  40          HB3       PRO  40  11.981  -9.851   3.542
  324   1HG   PRO  40          HG2       PRO  40  12.040  -7.290   4.401
  325   2HG   PRO  40          HG3       PRO  40  13.144  -7.780   3.085
  326   1HD   PRO  40          HD2       PRO  40  10.495  -6.336   2.845
  327   2HD   PRO  40          HD3       PRO  40  12.056  -5.978   2.043
  328    H    GLY  41           H        GLY  41   8.606  -8.418   1.850
  329   1HA   GLY  41          HA1       GLY  41   7.431 -11.041   1.602
  330   2HA   GLY  41          HA2       GLY  41   6.611  -9.500   1.510
  331    H    GLY  42           H        GLY  42   8.910  -9.085  -0.830
  332   1HA   GLY  42          HA1       GLY  42   8.891  -9.163  -3.121
  333   2HA   GLY  42          HA2       GLY  42   7.912 -10.642  -3.014
  334    H    GLU  43           H        GLU  43   7.237  -9.307  -5.051
  335    HA   GLU  43           HA       GLU  43   5.433  -7.094  -4.599
  336   1HB   GLU  43          HB2       GLU  43   6.692  -7.178  -6.601
  337   2HB   GLU  43          HB3       GLU  43   6.084  -8.729  -7.080
  338   1HG   GLU  43          HG2       GLU  43   3.811  -7.982  -7.277
  339   2HG   GLU  43          HG3       GLU  43   4.241  -6.363  -6.757
  340    H    GLU  44           H        GLU  44   4.918 -10.498  -5.726
  341    HA   GLU  44           HA       GLU  44   2.386 -10.933  -5.981
  342   1HB   GLU  44          HB2       GLU  44   4.403 -12.429  -4.308
  343   2HB   GLU  44          HB3       GLU  44   2.738 -13.022  -4.358
  344   1HG   GLU  44          HG2       GLU  44   4.313 -14.065  -6.040
  345   2HG   GLU  44          HG3       GLU  44   2.790 -13.432  -6.668
  346    H    VAL  45           H        VAL  45   3.476 -11.000  -2.558
  347    HA   VAL  45           HA       VAL  45   0.837 -11.131  -1.570
  348    HB   VAL  45           HB       VAL  45   3.105 -11.768  -0.507
  349   1HG1  VAL  45          HG11      VAL  45   4.104  -9.463  -0.593
  350   2HG1  VAL  45          HG12      VAL  45   2.934  -8.954   0.647
  351   3HG1  VAL  45          HG13      VAL  45   4.125 -10.215   1.012
  352   1HG2  VAL  45          HG21      VAL  45   0.986 -12.181   0.571
  353   2HG2  VAL  45          HG22      VAL  45   2.174 -11.616   1.761
  354   3HG2  VAL  45          HG23      VAL  45   0.916 -10.515   1.163
  355    H    LEU  46           H        LEU  46   2.853  -8.312  -2.349
  356    HA   LEU  46           HA       LEU  46   1.091  -6.359  -1.062
  357   1HB   LEU  46          HB2       LEU  46   3.184  -6.034  -3.262
  358   2HB   LEU  46          HB3       LEU  46   2.333  -4.727  -2.460
  359    HG   LEU  46           HG       LEU  46   4.119  -6.715  -0.985
  360   1HD1  LEU  46          HD11      LEU  46   5.478  -5.464  -2.578
  361   2HD1  LEU  46          HD12      LEU  46   4.675  -3.953  -2.089
  362   3HD1  LEU  46          HD13      LEU  46   5.749  -4.767  -0.966
  363   1HD2  LEU  46          HD21      LEU  46   4.113  -4.892   0.723
  364   2HD2  LEU  46          HD22      LEU  46   2.912  -4.005  -0.229
  365   3HD2  LEU  46          HD23      LEU  46   2.499  -5.587   0.469
  366    H    ARG  47           H        ARG  47   1.583  -7.724  -4.314
  367    HA   ARG  47           HA       ARG  47  -0.155  -5.976  -5.715
  368   1HB   ARG  47          HB2       ARG  47   1.641  -7.591  -6.611
  369   2HB   ARG  47          HB3       ARG  47   0.419  -8.864  -6.474
  370   1HG   ARG  47          HG2       ARG  47  -1.085  -7.267  -7.900
  371   2HG   ARG  47          HG3       ARG  47   0.403  -6.363  -8.211
  372   1HD   ARG  47          HD2       ARG  47  -0.233  -9.252  -8.931
  373   2HD   ARG  47          HD3       ARG  47   0.004  -7.899 -10.029
  374    HE   ARG  47           HE       ARG  47   2.408  -7.815  -9.426
  375   1HH1  ARG  47          HH22      ARG  47   0.835 -10.908  -8.390
  376   2HH1  ARG  47          HH21      ARG  47   2.413 -11.704  -8.543
  377   1HH2  ARG  47          HH11      ARG  47   4.196  -8.980  -9.594
  378   2HH2  ARG  47          HH12      ARG  47   4.218 -10.718  -9.117
  379    H    GLU  48           H        GLU  48  -0.594  -9.156  -4.257
  380    HA   GLU  48           HA       GLU  48  -3.226  -9.819  -4.795
  381   1HB   GLU  48          HB2       GLU  48  -1.613 -11.275  -3.766
  382   2HB   GLU  48          HB3       GLU  48  -1.423 -10.208  -2.381
  383   1HG   GLU  48          HG2       GLU  48  -3.661 -10.771  -1.583
  384   2HG   GLU  48          HG3       GLU  48  -3.989 -11.701  -3.063
  385    H    GLN  49           H        GLN  49  -2.062  -7.826  -1.992
  386    HA   GLN  49           HA       GLN  49  -4.828  -7.210  -1.214
  387   1HB   GLN  49          HB2       GLN  49  -2.196  -6.014  -0.294
  388   2HB   GLN  49          HB3       GLN  49  -3.788  -5.704   0.399
  389   1HG   GLN  49          HG2       GLN  49  -2.401  -8.419   0.350
  390   2HG   GLN  49          HG3       GLN  49  -2.391  -7.284   1.707
  391   1HE2  GLN  49          HE21      GLN  49  -5.360  -6.517   1.475
  392   2HE2  GLN  49          HE22      GLN  49  -6.123  -7.962   2.062
  393    H    ALA  50           H        ALA  50  -2.307  -5.653  -3.125
  394    HA   ALA  50           HA       ALA  50  -2.986  -2.981  -2.816
  395   1HB   ALA  50          HB1       ALA  50  -0.916  -3.686  -3.894
  396   2HB   ALA  50          HB2       ALA  50  -1.828  -4.352  -5.275
  397   3HB   ALA  50          HB3       ALA  50  -1.817  -2.606  -4.972
  398    H    GLY  51           H        GLY  51  -4.151  -1.502  -4.067
  399   1HA   GLY  51          HA1       GLY  51  -6.256  -0.813  -4.574
  400   2HA   GLY  51          HA2       GLY  51  -6.183  -1.929  -5.949
  401    H    GLY  52           H        GLY  52  -5.890  -2.019  -2.380
  402   1HA   GLY  52          HA1       GLY  52  -8.560  -2.608  -1.708
  403   2HA   GLY  52          HA2       GLY  52  -7.564  -4.087  -1.714
  404    H    ASP  53           H        ASP  53  -8.350  -3.513   0.507
  405    HA   ASP  53           HA       ASP  53  -6.616  -1.772   2.118
  406   1HB   ASP  53          HB2       ASP  53  -9.112  -2.192   2.503
  407   2HB   ASP  53          HB3       ASP  53  -8.649  -3.755   3.202
  408    H    ALA  54           H        ALA  54  -4.942  -2.420   3.318
  409    HA   ALA  54           HA       ALA  54  -4.411  -5.342   3.644
  410   1HB   ALA  54          HB1       ALA  54  -2.178  -5.185   2.980
  411   2HB   ALA  54          HB2       ALA  54  -3.017  -4.233   1.735
  412   3HB   ALA  54          HB3       ALA  54  -2.159  -3.411   3.029
  413    H    THR  55           H        THR  55  -5.433  -2.914   5.375
  414    HA   THR  55           HA       THR  55  -3.338  -2.175   7.083
  415    HB   THR  55           HB       THR  55  -6.264  -2.511   7.920
  416    HG1  THR  55           HG1      THR  55  -6.219  -1.296   6.069
  417   1HG2  THR  55          HG21      THR  55  -4.726  -1.995   9.788
  418   2HG2  THR  55          HG22      THR  55  -3.986  -0.691   8.839
  419   3HG2  THR  55          HG23      THR  55  -5.680  -0.561   9.383
  420    H    GLU  56           H        GLU  56  -5.736  -4.827   7.550
  421    HA   GLU  56           HA       GLU  56  -4.827  -5.743  10.045
  422   1HB   GLU  56          HB2       GLU  56  -6.205  -7.724   9.440
  423   2HB   GLU  56          HB3       GLU  56  -7.004  -6.197   9.070
  424   1HG   GLU  56          HG2       GLU  56  -6.323  -6.513   6.619
  425   2HG   GLU  56          HG3       GLU  56  -5.912  -8.183   7.086
  426    H    ASN  57           H        ASN  57  -4.305  -6.930   6.777
  427    HA   ASN  57           HA       ASN  57  -2.478  -8.944   7.301
  428   1HB   ASN  57          HB2       ASN  57  -3.628  -8.307   5.102
  429   2HB   ASN  57          HB3       ASN  57  -2.258  -7.231   4.797
  430   1HD2  ASN  57          HD21      ASN  57  -3.086  -9.704   3.240
  431   2HD2  ASN  57          HD22      ASN  57  -1.709 -10.764   3.384
  432    H    PHE  58           H        PHE  58  -1.679  -5.506   6.679
  433    HA   PHE  58           HA       PHE  58   1.145  -5.694   6.826
  434   1HB   PHE  58          HB2       PHE  58  -0.105  -3.730   6.013
  435   2HB   PHE  58          HB3       PHE  58  -0.727  -3.429   7.624
  436    HD1  PHE  58           HD1      PHE  58   0.489  -2.041   9.143
  437    HD2  PHE  58           HD2      PHE  58   2.470  -3.681   5.691
  438    HE1  PHE  58           HE1      PHE  58   2.335  -0.433   9.447
  439    HE2  PHE  58           HE2      PHE  58   4.307  -2.016   5.958
  440    HZ   PHE  58           HZ       PHE  58   4.242  -0.388   7.828
  441    H    GLU  59           H        GLU  59  -1.243  -4.888   9.403
  442    HA   GLU  59           HA       GLU  59   0.721  -4.753  11.492
  443   1HB   GLU  59          HB2       GLU  59  -2.311  -5.086  11.439
  444   2HB   GLU  59          HB3       GLU  59  -1.406  -4.836  12.924
  445   1HG   GLU  59          HG2       GLU  59  -1.428  -2.910  10.537
  446   2HG   GLU  59          HG3       GLU  59  -2.358  -2.746  12.023
  447    H    ASP  60           H        ASP  60  -1.204  -7.325  10.261
  448    HA   ASP  60           HA       ASP  60  -0.935  -9.321  12.249
  449   1HB   ASP  60          HB2       ASP  60  -2.533  -9.337  10.259
  450   2HB   ASP  60          HB3       ASP  60  -1.137  -9.620   9.220
  451    H    HIS  61           H        HIS  61   0.985  -8.480   9.374
  452    HA   HIS  61           HA       HIS  61   3.172 -10.313   9.986
  453   1HB   HIS  61          HB2       HIS  61   2.752  -8.071   8.001
  454   2HB   HIS  61          HB3       HIS  61   4.312  -8.894   8.155
  455    HD1  HIS  61           HD1      HIS  61   0.665  -9.698   7.143
  456    HD2  HIS  61           HD2      HIS  61   4.546 -11.348   7.218
  457    HE1  HIS  61           HE1      HIS  61   0.552 -11.924   5.894
  458    H    GLY  62           H        GLY  62   2.287  -7.624  11.728
  459   1HA   GLY  62          HA1       GLY  62   3.365  -6.311  13.227
  460   2HA   GLY  62          HA2       GLY  62   4.542  -7.631  13.301
  461    H    HIS  63           HN       HIS  63   3.790  -5.363  10.623
  462    HA   HIS  63           HA       HIS  63   6.445  -5.099   9.837
  463   1HB   HIS  63          HB2       HIS  63   3.965  -3.464   9.345
  464   2HB   HIS  63          HB3       HIS  63   5.526  -2.882   8.761
  465    HD1  HIS  63           HD1      HIS  63   3.200  -5.896   8.249
  466    HD2  HIS  63           HD2      HIS  63   6.599  -3.994   6.679
  467    HE1  HIS  63           HE1      HIS  63   3.595  -6.924   5.960
  468    H    SER  64           H        SER  64   8.134  -3.911  10.307
  469    HA   SER  64           HA       SER  64   8.277  -2.886  12.946
  470   1HB   SER  64          HB2       SER  64  10.107  -4.094  11.685
  471   2HB   SER  64          HB3       SER  64  10.362  -2.623  10.733
  472    HG   SER  64           HG       SER  64  11.569  -1.989  12.358
  473    H    THR  65           H        THR  65   9.618  -0.885  13.345
  474    HA   THR  65           HA       THR  65   8.281   1.601  12.909
  475    HB   THR  65           HB       THR  65  10.830   2.271  13.544
  476    HG1  THR  65           HG1      THR  65  11.698   0.107  13.086
  477   1HG2  THR  65          HG21      THR  65  10.376   1.711  15.908
  478   2HG2  THR  65          HG22      THR  65   8.933   2.385  15.124
  479   3HG2  THR  65          HG23      THR  65   9.056   0.632  15.410
  480    H    ASP  66           H        ASP  66  10.940  -0.045  11.298
  481    HA   ASP  66           HA       ASP  66  11.859   1.998   9.671
  482   1HB   ASP  66          HB2       ASP  66  11.912  -1.018   9.135
  483   2HB   ASP  66          HB3       ASP  66  13.098   0.191   8.631
  484    H    ALA  67           H        ALA  67   9.613  -0.666   8.976
  485    HA   ALA  67           HA       ALA  67   8.976   0.018   6.314
  486   1HB   ALA  67          HB1       ALA  67   7.049  -1.548   6.675
  487   2HB   ALA  67          HB2       ALA  67   8.599  -2.237   7.212
  488   3HB   ALA  67          HB3       ALA  67   7.452  -1.605   8.402
  489    H    ARG  68           H        ARG  68   7.392   0.564   9.442
  490    HA   ARG  68           HA       ARG  68   5.202   2.175   8.775
  491   1HB   ARG  68          HB2       ARG  68   7.036   1.753  11.085
  492   2HB   ARG  68          HB3       ARG  68   6.031   3.153  11.230
  493   1HG   ARG  68          HG2       ARG  68   4.031   1.816  11.074
  494   2HG   ARG  68          HG3       ARG  68   4.921   0.397  10.487
  495   1HD   ARG  68          HD2       ARG  68   5.779  -0.157  12.583
  496   2HD   ARG  68          HD3       ARG  68   5.706   1.506  13.164
  497    HE   ARG  68           HE       ARG  68   3.652   1.194  13.983
  498   1HH1  ARG  68          HH22      ARG  68   4.211  -1.724  11.936
  499   2HH1  ARG  68          HH21      ARG  68   2.462  -2.032  11.869
  500   1HH2  ARG  68          HH11      ARG  68   1.521   0.404  14.184
  501   2HH2  ARG  68          HH12      ARG  68   1.047  -1.041  13.355
  502    H    GLU  69           H        GLU  69   8.559   3.313   9.450
  503    HA   GLU  69           HA       GLU  69   8.142   6.046   8.930
  504   1HB   GLU  69          HB2       GLU  69  10.212   4.703   9.899
  505   2HB   GLU  69          HB3       GLU  69  10.736   4.648   8.220
  506   1HG   GLU  69          HG2       GLU  69  11.763   6.533   9.341
  507   2HG   GLU  69          HG3       GLU  69  10.585   7.176   8.185
  508    H    LEU  70           H        LEU  70   9.221   3.396   6.800
  509    HA   LEU  70           HA       LEU  70   9.321   4.838   4.448
  510   1HB   LEU  70          HB2       LEU  70   9.198   1.980   5.164
  511   2HB   LEU  70          HB3       LEU  70   8.281   2.253   3.754
  512    HG   LEU  70           HG       LEU  70  10.405   1.726   2.974
  513   1HD1  LEU  70          HD11      LEU  70  10.949   4.688   2.994
  514   2HD1  LEU  70          HD12      LEU  70  11.056   3.521   1.667
  515   3HD1  LEU  70          HD13      LEU  70   9.468   4.110   2.226
  516   1HD2  LEU  70          HD21      LEU  70  11.583   1.795   5.109
  517   2HD2  LEU  70          HD22      LEU  70  12.518   2.660   3.876
  518   3HD2  LEU  70          HD23      LEU  70  11.590   3.570   5.090
  519    H    SER  71           H        SER  71   6.401   3.419   5.980
  520    HA   SER  71           HA       SER  71   4.607   3.987   3.855
  521   1HB   SER  71          HB2       SER  71   3.933   4.072   6.823
  522   2HB   SER  71          HB3       SER  71   2.868   3.702   5.466
  523    HG   SER  71           HG       SER  71   3.555   1.788   6.468
  524    H    LYS  72           H        LYS  72   5.876   6.047   6.495
  525    HA   LYS  72           HA       LYS  72   4.072   8.266   6.082
  526   1HB   LYS  72          HB2       LYS  72   7.021   8.543   6.794
  527   2HB   LYS  72          HB3       LYS  72   5.687   9.641   7.149
  528   1HG   LYS  72          HG2       LYS  72   4.681   7.871   8.597
  529   2HG   LYS  72          HG3       LYS  72   6.103   6.856   8.305
  530   1HD   LYS  72          HD2       LYS  72   7.556   8.747   9.067
  531   2HD   LYS  72          HD3       LYS  72   6.120   9.633   9.601
  532   1HE   LYS  72          HE2       LYS  72   5.646   7.972  11.325
  533   2HE   LYS  72          HE3       LYS  72   6.781   6.826  10.596
  534   1HZ   LYS  72          HZ1       LYS  72   8.402   8.839  11.045
  535   2HZ   LYS  72          HZ2       LYS  72   7.441   8.947  12.408
  536   3HZ   LYS  72          HZ3       LYS  72   8.279   7.566  11.929
  537    H    THR  73           H        THR  73   7.297   7.577   4.719
  538    HA   THR  73           HA       THR  73   7.106   9.875   2.972
  539    HB   THR  73           HB       THR  73   9.265   8.885   3.683
  540    HG1  THR  73           HG1      THR  73   8.961  10.427   1.963
  541   1HG2  THR  73          HG21      THR  73   8.776   6.918   1.410
  542   2HG2  THR  73          HG22      THR  73  10.340   7.258   2.176
  543   3HG2  THR  73          HG23      THR  73   9.036   6.557   3.135
  544    H    PHE  74           H        PHE  74   6.076   6.501   2.523
  545    HA   PHE  74           HA       PHE  74   5.352   6.872  -0.267
  546   1HB   PHE  74          HB2       PHE  74   4.252   4.920   1.764
  547   2HB   PHE  74          HB3       PHE  74   4.104   4.782   0.017
  548    HD1  PHE  74           HD1      PHE  74   4.894   2.586   1.738
  549    HD2  PHE  74           HD2      PHE  74   7.258   5.525  -0.344
  550    HE1  PHE  74           HE1      PHE  74   6.668   0.911   1.355
  551    HE2  PHE  74           HE2      PHE  74   9.134   3.910  -0.471
  552    HZ   PHE  74           HZ       PHE  74   8.907   1.657   0.611
  553    H    ILE  75           H        ILE  75   3.814   8.184   2.564
  554    HA   ILE  75           HA       ILE  75   1.119   7.933   1.815
  555    HB   ILE  75           HB       ILE  75   2.621  10.156   3.194
  556   1HG1  ILE  75          HG12      ILE  75   1.957   8.187   4.493
  557   2HG1  ILE  75          HG13      ILE  75   1.177   9.675   5.034
  558   1HG2  ILE  75          HG21      ILE  75  -0.266  10.442   2.285
  559   2HG2  ILE  75          HG22      ILE  75   0.465  11.368   3.609
  560   3HG2  ILE  75          HG23      ILE  75   1.099  11.536   1.979
  561   1HD1  ILE  75          HD11      ILE  75  -0.251   7.532   3.440
  562   2HD1  ILE  75          HD12      ILE  75  -0.396   7.911   5.164
  563   3HD1  ILE  75          HD13      ILE  75  -0.936   9.084   3.967
  564    H    ILE  76           H        ILE  76  -0.085   8.459   0.158
  565    HA   ILE  76           HA       ILE  76   0.743  10.714  -1.653
  566    HB   ILE  76           HB       ILE  76  -0.369   9.342  -3.446
  567   1HG1  ILE  76          HG12      ILE  76   0.153   6.887  -1.772
  568   2HG1  ILE  76          HG13      ILE  76  -1.376   7.729  -1.532
  569   1HG2  ILE  76          HG21      ILE  76   2.157   8.159  -2.247
  570   2HG2  ILE  76          HG22      ILE  76   1.601   7.996  -3.921
  571   3HG2  ILE  76          HG23      ILE  76   2.061   9.584  -3.295
  572   1HD1  ILE  76          HD11      ILE  76  -0.647   7.170  -4.370
  573   2HD1  ILE  76          HD12      ILE  76  -1.154   5.803  -3.339
  574   3HD1  ILE  76          HD13      ILE  76  -2.220   7.185  -3.564
  575    H    GLY  77           H        GLY  77  -1.770   9.549   0.445
  576   1HA   GLY  77          HA1       GLY  77  -4.051  11.069  -0.530
  577   2HA   GLY  77          HA2       GLY  77  -3.847   9.524  -1.354
  578    H    GLU  78           H        GLU  78  -6.028   9.801   0.089
  579    HA   GLU  78           HA       GLU  78  -5.563   7.959   2.327
  580   1HB   GLU  78          HB2       GLU  78  -7.464  10.363   2.400
  581   2HB   GLU  78          HB3       GLU  78  -7.086   9.234   3.724
  582   1HG   GLU  78          HG2       GLU  78  -5.905  11.146   4.327
  583   2HG   GLU  78          HG3       GLU  78  -4.680  10.053   3.678
  584    H    LEU  79           H        LEU  79  -7.478   6.867   2.942
  585    HA   LEU  79           HA       LEU  79  -8.916   5.789   0.682
  586   1HB   LEU  79          HB2       LEU  79  -8.083   4.619   2.780
  587   2HB   LEU  79          HB3       LEU  79  -9.348   5.455   3.673
  588    HG   LEU  79           HG       LEU  79  -9.526   3.183   1.721
  589   1HD1  LEU  79          HD11      LEU  79 -11.175   2.468   3.367
  590   2HD1  LEU  79          HD12      LEU  79  -9.754   3.000   4.285
  591   3HD1  LEU  79          HD13      LEU  79 -11.160   4.092   4.099
  592   1HD2  LEU  79          HD21      LEU  79 -11.920   4.987   2.290
  593   2HD2  LEU  79          HD22      LEU  79 -11.186   4.653   0.654
  594   3HD2  LEU  79          HD23      LEU  79 -11.910   3.376   1.603
  595    H    HIS  80           H        HIS  80 -10.638   6.729  -0.175
  596    HA   HIS  80           HA       HIS  80 -11.720   8.975   1.012
  597   1HB   HIS  80          HB2       HIS  80 -11.625   8.658  -1.433
  598   2HB   HIS  80          HB3       HIS  80 -12.906   7.420  -1.299
  599    HD1  HIS  80           HD1      HIS  80 -15.406   8.470  -1.197
  600    HD2  HIS  80           HD2      HIS  80 -12.252  11.059  -0.315
  601    HE1  HIS  80           HE1      HIS  80 -16.466  10.707  -0.557
  602    HA   PRO  81           HA       PRO  81 -14.387   6.866   3.671
  603   1HB   PRO  81          HB2       PRO  81 -15.937   9.587   3.656
  604   2HB   PRO  81          HB3       PRO  81 -15.586   8.634   5.079
  605   1HG   PRO  81          HG2       PRO  81 -14.137  10.925   4.238
  606   2HG   PRO  81          HG3       PRO  81 -13.241   9.555   4.968
  607   1HD   PRO  81          HD2       PRO  81 -13.514  10.366   2.124
  608   2HD   PRO  81          HD3       PRO  81 -12.220   9.491   2.995
  609    H    ASP  82           H        ASP  82 -15.808   8.151   0.992
  610    HA   ASP  82           HA       ASP  82 -18.518   7.416   1.454
  611   1HB   ASP  82          HB2       ASP  82 -17.734   8.589  -0.631
  612   2HB   ASP  82          HB3       ASP  82 -16.865   7.106  -1.117
  613    H    ASP  83           H        ASP  83 -15.538   5.679   1.054
  614    HA   ASP  83           HA       ASP  83 -16.421   3.023   0.640
  615   1HB   ASP  83          HB2       ASP  83 -14.166   4.291   0.348
  616   2HB   ASP  83          HB3       ASP  83 -13.912   4.148   1.994
  617    H    ARG  84           H        ARG  84 -14.993   4.588   3.620
  618    HA   ARG  84           HA       ARG  84 -16.633   3.088   5.326
  619   1HB   ARG  84          HB2       ARG  84 -15.068   1.710   6.406
  620   2HB   ARG  84          HB3       ARG  84 -15.094   1.304   4.686
  621   1HG   ARG  84          HG2       ARG  84 -13.046   2.985   4.617
  622   2HG   ARG  84          HG3       ARG  84 -12.974   2.700   6.361
  623   1HD   ARG  84          HD2       ARG  84 -11.447   1.116   5.301
  624   2HD   ARG  84          HD3       ARG  84 -12.855   0.198   5.869
  625    HE   ARG  84           HE       ARG  84 -13.487   1.034   3.274
  626   1HH1  ARG  84          HH22      ARG  84 -10.636  -1.026   4.338
  627   2HH1  ARG  84          HH21      ARG  84 -11.027  -2.149   3.116
  628   1HH2  ARG  84          HH11      ARG  84 -13.401  -0.036   1.527
  629   2HH2  ARG  84          HH12      ARG  84 -12.368  -1.432   1.240
  630    HHA  HEM 201           HGM      HEM 201   9.146  -8.628   5.889
  631    HHB  HEM 201           HDM      HEM 201   8.929  -2.337   4.502
  632    HHC  HEM 201           HAM      HEM 201   2.739  -2.949   2.934
  633    HHD  HEM 201           HBM      HEM 201   3.253  -9.386   3.389
  634   1HMA  HEM 201          HM81      HEM 201  11.119  -2.990   4.834
  635   2HMA  HEM 201          HM82      HEM 201  10.852  -3.132   6.588
  636   3HMA  HEM 201          HM83      HEM 201  12.011  -4.187   5.762
  637   1HAA  HEM 201          HP71      HEM 201  10.987  -7.660   6.724
  638   2HAA  HEM 201          HP72      HEM 201  11.773  -6.028   6.968
  639   1HBA  HEM 201          HP73      HEM 201  10.879  -6.924   9.057
  640   2HBA  HEM 201          HP74      HEM 201   9.203  -6.965   8.309
  641   1HMB  HEM 201          HM11      HEM 201   6.610   0.545   3.594
  642   2HMB  HEM 201          HM12      HEM 201   7.778  -0.280   4.590
  643   3HMB  HEM 201          HM13      HEM 201   8.002  -0.267   2.839
  644    HAB  HEM 201          HT2A      HEM 201   3.652  -1.132   1.742
  645   1HBB  HEM 201          HV2C      HEM 201   4.499   0.983   3.682
  646   2HBB  HEM 201          HV2T      HEM 201   2.775   0.650   2.979
  647   1HMC  HEM 201          HM31      HEM 201   0.056  -4.920   3.841
  648   2HMC  HEM 201          HM32      HEM 201   0.747  -3.753   2.699
  649   3HMC  HEM 201          HM33      HEM 201   0.023  -5.244   2.092
  650    HAC  HEM 201          HT4A      HEM 201   0.855  -8.644   3.835
  651   1HBC  HEM 201          HV4C      HEM 201   0.295  -7.385   1.099
  652   2HBC  HEM 201          HV4T      HEM 201  -0.512  -8.888   1.848
  653   1HMD  HEM 201          HM51      HEM 201   3.976 -11.366   4.056
  654   2HMD  HEM 201          HM52      HEM 201   5.400 -11.857   3.122
  655   3HMD  HEM 201          HM53      HEM 201   5.317 -12.165   4.868
  656   1HAD  HEM 201          HP61      HEM 201   7.646 -12.005   4.794
  657   2HAD  HEM 201          HP62      HEM 201   8.951 -10.733   4.815
  658   1HBD  HEM 201          HP63      HEM 201   8.144 -10.267   7.244
  659   2HBD  HEM 201          HP64      HEM 201   7.325 -11.903   7.093
  Start of MODEL   12
    1   1H    ALA   3          H1        ALA   3  -2.511  19.651   0.934
    2   2H    ALA   3          H2        ALA   3  -3.843  20.181   0.159
    3   3H    ALA   3          H3        ALA   3  -3.089  21.194   1.244
    4    HA   ALA   3           HA       ALA   3  -3.688  19.871   3.062
    5   1HB   ALA   3          HB1       ALA   3  -6.136  19.716   2.914
    6   2HB   ALA   3          HB2       ALA   3  -5.609  21.190   2.096
    7   3HB   ALA   3          HB3       ALA   3  -6.067  19.765   1.139
    8    H    VAL   4           H        VAL   4  -5.684  17.694   2.951
    9    HA   VAL   4           HA       VAL   4  -4.129  15.405   2.061
   10    HB   VAL   4           HB       VAL   4  -6.229  14.188   2.479
   11   1HG1  VAL   4          HG11      VAL   4  -5.589  16.071   4.758
   12   2HG1  VAL   4          HG12      VAL   4  -6.344  14.462   4.850
   13   3HG1  VAL   4          HG13      VAL   4  -4.664  14.616   4.315
   14   1HG2  VAL   4          HG21      VAL   4  -8.184  15.188   3.389
   15   2HG2  VAL   4          HG22      VAL   4  -7.546  16.825   3.131
   16   3HG2  VAL   4          HG23      VAL   4  -7.899  15.756   1.746
   17    H    LYS   5           H        LYS   5  -5.638  13.863   0.476
   18    HA   LYS   5           HA       LYS   5  -6.341  15.478  -2.002
   19   1HB   LYS   5          HB2       LYS   5  -5.104  12.773  -1.599
   20   2HB   LYS   5          HB3       LYS   5  -6.034  13.169  -3.050
   21   1HG   LYS   5          HG2       LYS   5  -4.546  14.794  -3.781
   22   2HG   LYS   5          HG3       LYS   5  -3.829  15.048  -2.177
   23   1HD   LYS   5          HD2       LYS   5  -2.609  13.108  -2.180
   24   2HD   LYS   5          HD3       LYS   5  -3.590  12.302  -3.403
   25   1HE   LYS   5          HE2       LYS   5  -1.738  14.658  -3.997
   26   2HE   LYS   5          HE3       LYS   5  -1.258  12.956  -4.119
   27   1HZ   LYS   5          HZ1       LYS   5  -3.445  14.171  -5.668
   28   2HZ   LYS   5          HZ2       LYS   5  -1.944  13.811  -6.237
   29   3HZ   LYS   5          HZ3       LYS   5  -2.955  12.607  -5.771
   30    H    TYR   6           H        TYR   6  -6.849  12.702   0.078
   31    HA   TYR   6           HA       TYR   6  -8.077  11.036  -0.064
   32   1HB   TYR   6          HB2       TYR   6 -10.462  12.918  -0.327
   33   2HB   TYR   6          HB3       TYR   6 -10.398  11.145  -0.306
   34    HD1  TYR   6           HD1      TYR   6  -9.783  14.029   1.975
   35    HD2  TYR   6           HD2      TYR   6 -10.046   9.790   1.454
   36    HE1  TYR   6           HE1      TYR   6  -9.647  13.695   4.439
   37    HE2  TYR   6           HE2      TYR   6  -9.888   9.425   3.813
   38    HH   TYR   6           HH       TYR   6  -9.462  12.159   6.139
   39    H    TYR   7           H        TYR   7  -8.582   9.530  -1.252
   40    HA   TYR   7           HA       TYR   7  -8.696   9.859  -4.143
   41   1HB   TYR   7          HB2       TYR   7  -6.687   9.024  -2.314
   42   2HB   TYR   7          HB3       TYR   7  -7.244   7.548  -2.905
   43    HD1  TYR   7           HD1      TYR   7  -4.446   8.613  -3.086
   44    HD2  TYR   7           HD2      TYR   7  -7.645   9.221  -5.892
   45    HE1  TYR   7           HE1      TYR   7  -3.022  10.155  -4.366
   46    HE2  TYR   7           HE2      TYR   7  -6.201  10.657  -7.241
   47    HH   TYR   7           HH       TYR   7  -4.011  11.322  -7.567
   48    H    THR   8           H        THR   8  -9.966   8.423  -5.200
   49    HA   THR   8           HA       THR   8 -12.107   7.369  -3.526
   50    HB   THR   8           HB       THR   8 -13.220   7.125  -5.796
   51    HG1  THR   8           HG1      THR   8 -12.027   8.205  -7.492
   52   1HG2  THR   8          HG21      THR   8 -13.438   9.571  -6.115
   53   2HG2  THR   8          HG22      THR   8 -13.449   9.177  -4.385
   54   3HG2  THR   8          HG23      THR   8 -11.989   9.854  -5.131
   55    H    LEU   9           H        LEU   9 -12.757   5.123  -3.461
   56    HA   LEU   9           HA       LEU   9 -10.811   3.147  -3.819
   57   1HB   LEU   9          HB2       LEU   9 -12.424   2.618  -2.445
   58   2HB   LEU   9          HB3       LEU   9 -13.774   3.111  -3.459
   59    HG   LEU   9           HG       LEU   9 -11.986   0.734  -4.175
   60   1HD1  LEU   9          HD11      LEU   9 -13.479  -0.760  -2.936
   61   2HD1  LEU   9          HD12      LEU   9 -12.693   0.391  -1.843
   62   3HD1  LEU   9          HD13      LEU   9 -14.387   0.636  -2.315
   63   1HD2  LEU   9          HD21      LEU   9 -13.677   1.413  -5.908
   64   2HD2  LEU   9          HD22      LEU   9 -14.085  -0.147  -5.198
   65   3HD2  LEU   9          HD23      LEU   9 -14.953   1.311  -4.682
   66    H    GLU  10           H        GLU  10 -13.112   4.398  -6.191
   67    HA   GLU  10           HA       GLU  10 -12.704   2.813  -8.403
   68   1HB   GLU  10          HB2       GLU  10 -14.065   4.903  -8.265
   69   2HB   GLU  10          HB3       GLU  10 -12.595   5.871  -8.296
   70   1HG   GLU  10          HG2       GLU  10 -13.636   5.823 -10.498
   71   2HG   GLU  10          HG3       GLU  10 -12.062   5.023 -10.562
   72    H    GLU  11           H        GLU  11 -10.565   5.522  -7.399
   73    HA   GLU  11           HA       GLU  11  -8.483   5.014  -9.346
   74   1HB   GLU  11          HB2       GLU  11  -8.506   6.479  -6.644
   75   2HB   GLU  11          HB3       GLU  11  -7.114   6.383  -7.691
   76   1HG   GLU  11          HG2       GLU  11  -9.711   7.439  -8.846
   77   2HG   GLU  11          HG3       GLU  11  -8.796   8.456  -7.729
   78    H    ILE  12           H        ILE  12  -8.940   4.261  -5.881
   79    HA   ILE  12           HA       ILE  12  -6.317   3.405  -5.645
   80    HB   ILE  12           HB       ILE  12  -8.694   2.619  -3.877
   81   1HG1  ILE  12          HG12      ILE  12  -6.635   4.704  -3.110
   82   2HG1  ILE  12          HG13      ILE  12  -7.947   5.199  -4.170
   83   1HG2  ILE  12          HG21      ILE  12  -6.739   2.473  -2.136
   84   2HG2  ILE  12          HG22      ILE  12  -7.097   1.126  -3.221
   85   3HG2  ILE  12          HG23      ILE  12  -5.739   2.229  -3.568
   86   1HD1  ILE  12          HD11      ILE  12  -9.599   4.534  -2.479
   87   2HD1  ILE  12          HD12      ILE  12  -8.321   3.896  -1.435
   88   3HD1  ILE  12          HD13      ILE  12  -8.399   5.624  -1.775
   89    H    GLN  13           H        GLU  13  -9.189   1.586  -6.462
   90    HA   GLN  13           HA       GLU  13  -8.086  -1.070  -6.269
   91   1HB   GLN  13          HB2       GLU  13 -10.384   0.259  -7.788
   92   2HB   GLN  13          HB3       GLU  13  -9.972  -1.406  -8.140
   93   1HG   GLN  13          HG2       GLU  13 -10.308  -0.737  -5.228
   94   2HG   GLN  13          HG3       GLU  13 -11.755  -0.636  -6.239
   95    H    LYS  14           H        LYS  14  -8.520   1.310  -8.844
   96    HA   LYS  14           HA       LYS  14  -7.478   0.019 -11.073
   97   1HB   LYS  14          HB2       LYS  14  -8.429   2.541 -10.457
   98   2HB   LYS  14          HB3       LYS  14  -6.767   2.891 -10.557
   99   1HG   LYS  14          HG2       LYS  14  -7.753   3.361 -12.657
  100   2HG   LYS  14          HG3       LYS  14  -6.786   1.901 -12.918
  101   1HD   LYS  14          HD2       LYS  14  -9.044   1.859 -14.008
  102   2HD   LYS  14          HD3       LYS  14  -8.809   0.505 -12.892
  103   1HE   LYS  14          HE2       LYS  14 -10.205   1.520 -11.198
  104   2HE   LYS  14          HE3       LYS  14 -10.205   3.087 -12.030
  105   1HZ   LYS  14          HZ1       LYS  14 -11.574   0.633 -12.905
  106   2HZ   LYS  14          HZ2       LYS  14 -12.222   2.018 -12.296
  107   3HZ   LYS  14          HZ3       LYS  14 -11.528   2.062 -13.756
  108    H    HIS  15           H        HIS  15  -5.766   1.934  -8.585
  109    HA   HIS  15           HA       HIS  15  -3.119   1.319  -9.665
  110   1HB   HIS  15          HB2       HIS  15  -4.096   2.724  -7.173
  111   2HB   HIS  15          HB3       HIS  15  -2.399   2.303  -7.484
  112    HD1  HIS  15           HD1      HIS  15  -1.139   4.300  -8.345
  113    HD2  HIS  15           HD2      HIS  15  -5.096   4.125  -9.719
  114    HE1  HIS  15           HE1      HIS  15  -1.408   6.200 -10.039
  115    H    ASN  16           H        ASN  16  -3.639  -0.998  -9.716
  116    HA   ASN  16           HA       ASN  16  -1.869  -2.087  -7.650
  117   1HB   ASN  16          HB2       ASN  16  -3.125  -4.026  -7.045
  118   2HB   ASN  16          HB3       ASN  16  -3.997  -2.547  -6.615
  119   1HD2  ASN  16          HD21      ASN  16  -5.687  -4.302  -6.381
  120   2HD2  ASN  16          HD22      ASN  16  -6.705  -4.539  -7.797
  121    H    ASN  17           H        ASN  17  -1.399  -1.396 -10.334
  122    HA   ASN  17           HA       ASN  17  -0.496  -3.960 -11.315
  123   1HB   ASN  17          HB2       ASN  17  -3.039  -3.783 -11.924
  124   2HB   ASN  17          HB3       ASN  17  -2.531  -2.602 -13.125
  125   1HD2  ASN  17          HD21      ASN  17  -2.380  -3.681 -15.136
  126   2HD2  ASN  17          HD22      ASN  17  -1.715  -5.288 -15.322
  127    H    SER  18           H        SER  18  -0.632  -2.655 -14.170
  128    HA   SER  18           HA       SER  18   2.201  -1.886 -13.889
  129   1HB   SER  18          HB2       SER  18   0.516  -2.438 -16.374
  130   2HB   SER  18          HB3       SER  18   2.276  -2.264 -16.293
  131    HG   SER  18           HG       SER  18   0.801  -4.240 -14.860
  132    H    LYS  19           H        LYS  19   1.100  -0.025 -12.749
  133    HA   LYS  19           HA       LYS  19   0.578   2.364 -14.399
  134   1HB   LYS  19          HB2       LYS  19  -1.477   0.907 -12.622
  135   2HB   LYS  19          HB3       LYS  19  -1.669   2.556 -13.179
  136   1HG   LYS  19          HG2       LYS  19  -1.622   0.074 -14.916
  137   2HG   LYS  19          HG3       LYS  19  -3.023   1.039 -14.465
  138   1HD   LYS  19          HD2       LYS  19  -2.123   3.009 -15.649
  139   2HD   LYS  19          HD3       LYS  19  -0.686   2.085 -16.129
  140   1HE   LYS  19          HE2       LYS  19  -2.132   0.445 -17.326
  141   2HE   LYS  19          HE3       LYS  19  -3.547   1.450 -16.954
  142   1HZ   LYS  19          HZ1       LYS  19  -2.501   3.233 -18.198
  143   2HZ   LYS  19          HZ2       LYS  19  -1.197   2.282 -18.531
  144   3HZ   LYS  19          HZ3       LYS  19  -2.675   1.896 -19.138
  145    H    SER  20           H        SER  20   0.009   0.965 -11.138
  146    HA   SER  20           HA       SER  20   2.182   1.603  -9.845
  147   1HB   SER  20          HB2       SER  20   0.463   4.045 -10.011
  148   2HB   SER  20          HB3       SER  20   0.885   3.556  -8.350
  149    HG   SER  20           HG       SER  20   3.015   3.556  -8.892
  150    H    THR  21           H        THR  21   1.641   1.411  -7.477
  151    HA   THR  21           HA       THR  21  -0.740  -0.357  -7.080
  152    HB   THR  21           HB       THR  21   2.168  -0.910  -6.487
  153    HG1  THR  21           HG1      THR  21   1.350  -1.248  -8.650
  154   1HG2  THR  21          HG21      THR  21   1.370  -3.146  -5.719
  155   2HG2  THR  21          HG22      THR  21   0.746  -1.869  -4.654
  156   3HG2  THR  21          HG23      THR  21  -0.290  -2.598  -5.916
  157    H    TRP  22           H        TRP  22  -1.952   0.345  -5.518
  158    HA   TRP  22           HA       TRP  22  -0.937   2.060  -3.293
  159   1HB   TRP  22          HB2       TRP  22  -3.467   1.857  -4.909
  160   2HB   TRP  22          HB3       TRP  22  -3.453   2.656  -3.382
  161    HD1  TRP  22           HD1      TRP  22  -0.207   3.226  -5.190
  162    HE1  TRP  22           HE1      TRP  22  -0.068   5.375  -6.348
  163    HE3  TRP  22           HE3      TRP  22  -5.033   4.651  -4.546
  164    HZ2  TRP  22           HZ2      TRP  22  -2.019   7.447  -7.316
  165    HZ3  TRP  22           HZ3      TRP  22  -5.949   6.594  -5.776
  166    HH2  TRP  22           HH2      TRP  22  -4.480   7.919  -7.279
  167    H    LEU  23           H        LEU  23  -1.768   1.653  -1.134
  168    HA   LEU  23           HA       LEU  23  -3.853  -0.396  -0.912
  169   1HB   LEU  23          HB2       LEU  23  -2.301  -1.148   1.278
  170   2HB   LEU  23          HB3       LEU  23  -2.615  -2.034  -0.159
  171    HG   LEU  23           HG       LEU  23  -0.506  -1.138  -1.204
  172   1HD1  LEU  23          HD11      LEU  23  -0.188   0.628   0.438
  173   2HD1  LEU  23          HD12      LEU  23  -0.054  -0.587   1.751
  174   3HD1  LEU  23          HD13      LEU  23   1.169  -0.506   0.468
  175   1HD2  LEU  23          HD21      LEU  23  -0.814  -3.466  -0.420
  176   2HD2  LEU  23          HD22      LEU  23   0.776  -2.877   0.119
  177   3HD2  LEU  23          HD23      LEU  23  -0.574  -2.946   1.258
  178    H    ILE  24           H        ILE  24  -4.861  -0.446   1.225
  179    HA   ILE  24           HA       ILE  24  -4.614   2.192   2.565
  180    HB   ILE  24           HB       ILE  24  -6.767   0.321   3.433
  181   1HG1  ILE  24          HG12      ILE  24  -6.935   0.069   0.951
  182   2HG1  ILE  24          HG13      ILE  24  -8.338   0.656   1.802
  183   1HG2  ILE  24          HG21      ILE  24  -6.740   3.298   2.958
  184   2HG2  ILE  24          HG22      ILE  24  -8.062   2.348   3.677
  185   3HG2  ILE  24          HG23      ILE  24  -6.487   2.445   4.489
  186   1HD1  ILE  24          HD11      ILE  24  -7.809   2.976   1.008
  187   2HD1  ILE  24          HD12      ILE  24  -6.338   2.343   0.227
  188   3HD1  ILE  24          HD13      ILE  24  -7.951   1.823  -0.326
  189    H    LEU  25           H        LEU  25  -3.727   2.410   4.392
  190    HA   LEU  25           HA       LEU  25  -3.486   0.124   6.309
  191   1HB   LEU  25          HB2       LEU  25  -1.362   1.840   5.163
  192   2HB   LEU  25          HB3       LEU  25  -1.252   1.433   6.879
  193    HG   LEU  25           HG       LEU  25  -1.196  -0.932   6.344
  194   1HD1  LEU  25          HD11      LEU  25  -1.581  -0.059   3.486
  195   2HD1  LEU  25          HD12      LEU  25  -0.653  -1.528   3.863
  196   3HD1  LEU  25          HD13      LEU  25  -2.306  -1.415   4.402
  197   1HD2  LEU  25          HD21      LEU  25   1.040  -0.945   5.225
  198   2HD2  LEU  25          HD22      LEU  25   0.771   0.730   4.707
  199   3HD2  LEU  25          HD23      LEU  25   0.926   0.353   6.436
  200    H    HIS  26           H        HIS  26  -5.269   0.964   7.424
  201    HA   HIS  26           HA       HIS  26  -6.343   2.219   8.981
  202   1HB   HIS  26          HB2       HIS  26  -3.978   4.075   9.341
  203   2HB   HIS  26          HB3       HIS  26  -5.186   3.566  10.510
  204    HD1  HIS  26           HD1      HIS  26  -4.707   1.038  11.595
  205    HD2  HIS  26           HD2      HIS  26  -1.766   2.716   9.089
  206    HE1  HIS  26           HE1      HIS  26  -2.565  -0.287  11.980
  207    H    TYR  27           H        TYR  27  -7.250   2.771   6.642
  208    HA   TYR  27           HA       TYR  27  -8.419   4.199   5.356
  209   1HB   TYR  27          HB2       TYR  27  -8.235   5.783   7.843
  210   2HB   TYR  27          HB3       TYR  27  -8.299   6.747   6.374
  211    HD1  TYR  27           HD1      TYR  27 -10.193   3.908   7.989
  212    HD2  TYR  27           HD2      TYR  27 -10.297   7.412   5.474
  213    HE1  TYR  27           HE1      TYR  27 -12.531   4.348   8.678
  214    HE2  TYR  27           HE2      TYR  27 -12.605   7.858   6.183
  215    HH   TYR  27           HH       TYR  27 -13.917   7.547   8.078
  216    H    LYS  28           H        LYS  28  -5.203   5.443   6.334
  217    HA   LYS  28           HA       LYS  28  -5.066   7.341   4.138
  218   1HB   LYS  28          HB2       LYS  28  -3.150   6.202   6.145
  219   2HB   LYS  28          HB3       LYS  28  -2.499   6.737   4.595
  220   1HG   LYS  28          HG2       LYS  28  -2.398   8.581   6.183
  221   2HG   LYS  28          HG3       LYS  28  -3.470   8.936   4.829
  222   1HD   LYS  28          HD2       LYS  28  -4.602   9.675   6.689
  223   2HD   LYS  28          HD3       LYS  28  -5.427   8.182   6.314
  224   1HE   LYS  28          HE2       LYS  28  -3.500   7.245   8.080
  225   2HE   LYS  28          HE3       LYS  28  -3.678   8.901   8.664
  226   1HZ   LYS  28          HZ1       LYS  28  -5.735   6.805   8.438
  227   2HZ   LYS  28          HZ2       LYS  28  -5.159   7.479   9.808
  228   3HZ   LYS  28          HZ3       LYS  28  -6.109   8.379   8.804
  229    H    VAL  29           H        VAL  29  -3.713   7.109   2.231
  230    HA   VAL  29           HA       VAL  29  -3.799   4.364   1.099
  231    HB   VAL  29           HB       VAL  29  -4.197   7.070  -0.197
  232   1HG1  VAL  29          HG11      VAL  29  -2.939   5.659  -1.726
  233   2HG1  VAL  29          HG12      VAL  29  -4.134   4.354  -1.514
  234   3HG1  VAL  29          HG13      VAL  29  -4.617   5.909  -2.247
  235   1HG2  VAL  29          HG21      VAL  29  -5.990   4.621  -0.182
  236   2HG2  VAL  29          HG22      VAL  29  -6.171   5.912   1.019
  237   3HG2  VAL  29          HG23      VAL  29  -6.388   6.267  -0.718
  238    H    TYR  30           H        TYR  30  -1.975   3.566   0.293
  239    HA   TYR  30           HA       TYR  30   0.568   5.062   0.749
  240   1HB   TYR  30          HB2       TYR  30  -0.586   2.383   1.512
  241   2HB   TYR  30          HB3       TYR  30   1.127   2.550   1.507
  242    HD1  TYR  30           HD1      TYR  30   2.108   3.917   3.468
  243    HD2  TYR  30           HD2      TYR  30  -2.143   3.719   2.844
  244    HE1  TYR  30           HE1      TYR  30   1.689   4.580   5.852
  245    HE2  TYR  30           HE2      TYR  30  -2.526   4.347   5.129
  246    HH   TYR  30           HH       TYR  30  -1.596   4.238   7.204
  247    H    ASP  31           H        ASP  31   1.797   5.124  -1.150
  248    HA   ASP  31           HA       ASP  31   1.120   3.213  -3.333
  249   1HB   ASP  31          HB2       ASP  31   1.315   5.731  -3.824
  250   2HB   ASP  31          HB3       ASP  31   3.069   5.491  -3.522
  251    H    LEU  32           H        LEU  32   2.543   1.604  -3.745
  252    HA   LEU  32           HA       LEU  32   5.253   1.776  -2.469
  253   1HB   LEU  32          HB2       LEU  32   3.715  -0.794  -3.010
  254   2HB   LEU  32          HB3       LEU  32   5.237  -0.594  -2.179
  255    HG   LEU  32           HG       LEU  32   2.484  -0.007  -1.278
  256   1HD1  LEU  32          HD11      LEU  32   4.705  -1.474   0.238
  257   2HD1  LEU  32          HD12      LEU  32   2.964  -1.739   0.356
  258   3HD1  LEU  32          HD13      LEU  32   3.843  -2.279  -1.079
  259   1HD2  LEU  32          HD21      LEU  32   4.894   0.783   0.338
  260   2HD2  LEU  32          HD22      LEU  32   3.726   1.917  -0.387
  261   3HD2  LEU  32          HD23      LEU  32   3.168   0.809   0.855
  262    H    THR  33           H        THR  33   4.153   2.179  -5.351
  263    HA   THR  33           HA       THR  33   4.812   0.001  -6.977
  264    HB   THR  33           HB       THR  33   5.254   2.924  -7.758
  265    HG1  THR  33           HG1      THR  33   3.243   2.760  -6.873
  266   1HG2  THR  33          HG21      THR  33   4.540   2.144  -9.999
  267   2HG2  THR  33          HG22      THR  33   5.998   1.292  -9.481
  268   3HG2  THR  33          HG23      THR  33   4.424   0.477  -9.391
  269    H    LYS  34           H        LYS  34   7.235   2.406  -5.819
  270    HA   LYS  34           HA       LYS  34   9.402   1.059  -7.223
  271   1HB   LYS  34          HB2       LYS  34  10.910   2.243  -5.744
  272   2HB   LYS  34          HB3       LYS  34   9.739   3.326  -6.500
  273   1HG   LYS  34          HG2       LYS  34   8.469   3.503  -4.431
  274   2HG   LYS  34          HG3       LYS  34   9.505   2.336  -3.607
  275   1HD   LYS  34          HD2       LYS  34  10.920   4.688  -4.810
  276   2HD   LYS  34          HD3       LYS  34   9.809   5.030  -3.488
  277   1HE   LYS  34          HE2       LYS  34  12.014   4.689  -2.545
  278   2HE   LYS  34          HE3       LYS  34  10.931   3.396  -2.019
  279   1HZ   LYS  34          HZ1       LYS  34  12.958   2.387  -2.623
  280   2HZ   LYS  34          HZ2       LYS  34  11.939   1.972  -3.739
  281   3HZ   LYS  34          HZ3       LYS  34  13.033   3.156  -4.087
  282    H    PHE  35           H        PHE  35   7.784   0.601  -4.120
  283    HA   PHE  35           HA       PHE  35  10.033  -0.796  -2.944
  284   1HB   PHE  35          HB2       PHE  35   8.183   0.741  -1.784
  285   2HB   PHE  35          HB3       PHE  35   7.261  -0.761  -1.718
  286    HD1  PHE  35           HD1      PHE  35  10.642   0.741  -1.040
  287    HD2  PHE  35           HD2      PHE  35   7.925  -2.433  -0.003
  288    HE1  PHE  35           HE1      PHE  35  12.215  -0.020   0.687
  289    HE2  PHE  35           HE2      PHE  35   9.572  -3.253   1.665
  290    HZ   PHE  35           HZ       PHE  35  11.693  -2.033   2.039
  291    H    LEU  36           H        LEU  36   7.089  -1.624  -4.553
  292    HA   LEU  36           HA       LEU  36   6.863  -4.370  -4.388
  293   1HB   LEU  36          HB2       LEU  36   7.259  -2.702  -6.917
  294   2HB   LEU  36          HB3       LEU  36   6.584  -4.310  -6.880
  295    HG   LEU  36           HG       LEU  36   5.318  -1.805  -5.870
  296   1HD1  LEU  36          HD11      LEU  36   4.483  -4.042  -7.751
  297   2HD1  LEU  36          HD12      LEU  36   3.525  -2.603  -7.384
  298   3HD1  LEU  36          HD13      LEU  36   5.074  -2.444  -8.233
  299   1HD2  LEU  36          HD21      LEU  36   4.918  -3.335  -4.035
  300   2HD2  LEU  36          HD22      LEU  36   3.457  -3.174  -4.994
  301   3HD2  LEU  36          HD23      LEU  36   4.455  -4.630  -5.167
  302    H    GLU  37           H        GLU  37   9.664  -2.689  -5.950
  303    HA   GLU  37           HA       GLU  37  11.022  -5.129  -6.667
  304   1HB   GLU  37          HB2       GLU  37  12.027  -2.283  -6.165
  305   2HB   GLU  37          HB3       GLU  37  12.979  -3.579  -6.867
  306   1HG   GLU  37          HG2       GLU  37  10.386  -2.514  -8.095
  307   2HG   GLU  37          HG3       GLU  37  12.013  -2.003  -8.552
  308    H    GLU  38           H        GLU  38  11.432  -2.801  -3.998
  309    HA   GLU  38           HA       GLU  38  13.642  -4.115  -2.777
  310   1HB   GLU  38          HB2       GLU  38  11.662  -2.034  -1.804
  311   2HB   GLU  38          HB3       GLU  38  13.134  -2.453  -0.927
  312   1HG   GLU  38          HG2       GLU  38  14.528  -1.387  -2.420
  313   2HG   GLU  38          HG3       GLU  38  13.518  -1.731  -3.820
  314    H    HIS  39           HN       HIS  39  10.198  -4.579  -2.394
  315    HA   HIS  39           HA       HIS  39   9.993  -5.148   0.258
  316   1HB   HIS  39          HB2       HIS  39   8.130  -4.757  -1.333
  317   2HB   HIS  39          HB3       HIS  39   8.321  -6.392  -1.965
  318    HD1  HIS  39           HD1      HIS  39   6.151  -7.637  -0.955
  319    HD2  HIS  39           HD2      HIS  39   8.153  -5.028   1.697
  320    HE1  HIS  39           HE1      HIS  39   4.878  -7.670   1.214
  321    HA   PRO  40           HA       PRO  40  12.059  -9.229   0.584
  322   1HB   PRO  40          HB2       PRO  40  10.749  -8.921   3.297
  323   2HB   PRO  40          HB3       PRO  40  12.351  -9.605   2.906
  324   1HG   PRO  40          HG2       PRO  40  12.234  -7.062   3.800
  325   2HG   PRO  40          HG3       PRO  40  13.205  -7.408   2.343
  326   1HD   PRO  40          HD2       PRO  40  10.356  -6.355   2.442
  327   2HD   PRO  40          HD3       PRO  40  11.765  -5.706   1.558
  328    H    GLY  41           H        GLY  41   8.714  -8.428   1.617
  329   1HA   GLY  41          HA1       GLY  41   7.477 -10.979   1.483
  330   2HA   GLY  41          HA2       GLY  41   6.733  -9.451   1.162
  331    H    GLY  42           H        GLY  42   8.587  -8.768  -1.134
  332   1HA   GLY  42          HA1       GLY  42   8.744  -9.169  -3.403
  333   2HA   GLY  42          HA2       GLY  42   7.732 -10.620  -3.261
  334    H    GLU  43           H        GLU  43   7.244  -8.973  -5.346
  335    HA   GLU  43           HA       GLU  43   5.336  -6.890  -4.716
  336   1HB   GLU  43          HB2       GLU  43   6.715  -6.559  -6.527
  337   2HB   GLU  43          HB3       GLU  43   6.358  -8.058  -7.324
  338   1HG   GLU  43          HG2       GLU  43   4.133  -6.088  -6.936
  339   2HG   GLU  43          HG3       GLU  43   5.284  -6.013  -8.299
  340    H    GLU  44           H        GLU  44   5.010 -10.189  -6.123
  341    HA   GLU  44           HA       GLU  44   2.365 -10.264  -6.658
  342   1HB   GLU  44          HB2       GLU  44   3.949 -12.512  -5.320
  343   2HB   GLU  44          HB3       GLU  44   2.429 -12.690  -6.208
  344   1HG   GLU  44          HG2       GLU  44   3.545 -11.791  -8.257
  345   2HG   GLU  44          HG3       GLU  44   5.086 -11.743  -7.385
  346    H    VAL  45           H        VAL  45   3.703 -11.095  -3.463
  347    HA   VAL  45           HA       VAL  45   1.287 -11.588  -2.116
  348    HB   VAL  45           HB       VAL  45   2.463 -11.584  -0.120
  349   1HG1  VAL  45          HG11      VAL  45   4.564 -12.682  -0.508
  350   2HG1  VAL  45          HG12      VAL  45   3.494 -13.144  -1.854
  351   3HG1  VAL  45          HG13      VAL  45   4.762 -11.899  -2.077
  352   1HG2  VAL  45          HG21      VAL  45   4.545  -9.690  -1.246
  353   2HG2  VAL  45          HG22      VAL  45   3.325  -9.237  -0.052
  354   3HG2  VAL  45          HG23      VAL  45   4.561 -10.418   0.368
  355    H    LEU  46           H        LEU  46   2.778  -8.563  -3.020
  356    HA   LEU  46           HA       LEU  46   1.283  -6.963  -1.113
  357   1HB   LEU  46          HB2       LEU  46   3.704  -6.647  -2.092
  358   2HB   LEU  46          HB3       LEU  46   2.899  -5.975  -3.506
  359    HG   LEU  46           HG       LEU  46   3.732  -4.319  -1.973
  360   1HD1  LEU  46          HD11      LEU  46   1.707  -3.905  -3.398
  361   2HD1  LEU  46          HD12      LEU  46   0.693  -4.258  -1.990
  362   3HD1  LEU  46          HD13      LEU  46   1.787  -2.865  -1.972
  363   1HD2  LEU  46          HD21      LEU  46   3.364  -5.712   0.121
  364   2HD2  LEU  46          HD22      LEU  46   2.954  -4.006   0.272
  365   3HD2  LEU  46          HD23      LEU  46   1.667  -5.194   0.090
  366    H    ARG  47           H        ARG  47   1.356  -7.591  -4.659
  367    HA   ARG  47           HA       ARG  47  -0.831  -5.799  -5.160
  368   1HB   ARG  47          HB2       ARG  47   0.659  -7.774  -6.839
  369   2HB   ARG  47          HB3       ARG  47  -0.930  -7.203  -7.376
  370   1HG   ARG  47          HG2       ARG  47  -0.225  -4.843  -7.061
  371   2HG   ARG  47          HG3       ARG  47   1.388  -5.386  -6.563
  372   1HD   ARG  47          HD2       ARG  47   1.095  -4.468  -8.905
  373   2HD   ARG  47          HD3       ARG  47   1.965  -5.970  -8.791
  374    HE   ARG  47           HE       ARG  47  -0.825  -5.530  -9.768
  375   1HH1  ARG  47          HH22      ARG  47   1.610  -8.008  -8.956
  376   2HH1  ARG  47          HH21      ARG  47   1.111  -9.118 -10.171
  377   1HH2  ARG  47          HH11      ARG  47  -1.208  -6.881 -11.682
  378   2HH2  ARG  47          HH12      ARG  47  -0.700  -8.545 -11.601
  379    H    GLU  48           H        GLU  48  -0.682  -9.220  -4.489
  380    HA   GLU  48           HA       GLU  48  -3.305 -10.085  -4.663
  381   1HB   GLU  48          HB2       GLU  48  -1.348 -11.369  -3.913
  382   2HB   GLU  48          HB3       GLU  48  -1.238 -10.339  -2.480
  383   1HG   GLU  48          HG2       GLU  48  -2.144 -12.542  -1.917
  384   2HG   GLU  48          HG3       GLU  48  -3.396 -11.331  -1.651
  385    H    GLN  49           H        GLN  49  -2.045  -7.625  -2.416
  386    HA   GLN  49           HA       GLN  49  -4.719  -7.395  -1.049
  387   1HB   GLN  49          HB2       GLN  49  -1.938  -6.413  -0.289
  388   2HB   GLN  49          HB3       GLN  49  -3.389  -6.194   0.673
  389   1HG   GLN  49          HG2       GLN  49  -2.075  -8.879  -0.065
  390   2HG   GLN  49          HG3       GLN  49  -1.961  -8.036   1.476
  391   1HE2  GLN  49          HE21      GLN  49  -4.524  -9.482  -0.734
  392   2HE2  GLN  49          HE22      GLN  49  -5.470 -10.035   0.626
  393    H    ALA  50           H        ALA  50  -2.382  -5.757  -2.990
  394    HA   ALA  50           HA       ALA  50  -3.062  -3.116  -2.379
  395   1HB   ALA  50          HB1       ALA  50  -1.012  -3.845  -3.622
  396   2HB   ALA  50          HB2       ALA  50  -2.048  -4.092  -5.058
  397   3HB   ALA  50          HB3       ALA  50  -1.854  -2.481  -4.384
  398    H    GLY  51           H        GLY  51  -4.074  -1.472  -3.625
  399   1HA   GLY  51          HA1       GLY  51  -6.092  -0.563  -4.201
  400   2HA   GLY  51          HA2       GLY  51  -6.112  -1.694  -5.543
  401    H    GLY  52           H        GLY  52  -5.905  -1.903  -1.960
  402   1HA   GLY  52          HA1       GLY  52  -8.590  -1.969  -1.342
  403   2HA   GLY  52          HA2       GLY  52  -7.991  -3.662  -1.420
  404    H    ASP  53           H        ASP  53  -8.675  -2.916   0.855
  405    HA   ASP  53           HA       ASP  53  -6.782  -1.639   2.598
  406   1HB   ASP  53          HB2       ASP  53  -9.110  -1.873   3.317
  407   2HB   ASP  53          HB3       ASP  53  -8.971  -3.645   3.258
  408    H    ALA  54           H        ALA  54  -4.989  -2.307   3.477
  409    HA   ALA  54           HA       ALA  54  -4.451  -5.253   3.763
  410   1HB   ALA  54          HB1       ALA  54  -2.298  -3.286   2.953
  411   2HB   ALA  54          HB2       ALA  54  -2.259  -5.068   2.985
  412   3HB   ALA  54          HB3       ALA  54  -3.229  -4.218   1.768
  413    H    THR  55           H        THR  55  -5.355  -2.812   5.538
  414    HA   THR  55           HA       THR  55  -3.229  -2.136   7.232
  415    HB   THR  55           HB       THR  55  -6.156  -2.410   8.071
  416    HG1  THR  55           HG1      THR  55  -6.064  -1.172   6.219
  417   1HG2  THR  55          HG21      THR  55  -3.880  -0.573   8.944
  418   2HG2  THR  55          HG22      THR  55  -5.557  -0.492   9.536
  419   3HG2  THR  55          HG23      THR  55  -4.551  -1.902   9.919
  420    H    GLU  56           H        GLU  56  -5.658  -4.775   7.678
  421    HA   GLU  56           HA       GLU  56  -4.758  -5.723  10.167
  422   1HB   GLU  56          HB2       GLU  56  -6.976  -6.189   9.087
  423   2HB   GLU  56          HB3       GLU  56  -6.170  -7.184   7.865
  424   1HG   GLU  56          HG2       GLU  56  -5.399  -8.732   9.644
  425   2HG   GLU  56          HG3       GLU  56  -6.160  -7.702  10.869
  426    H    ASN  57           H        ASN  57  -4.091  -6.832   6.806
  427    HA   ASN  57           HA       ASN  57  -2.289  -8.846   7.476
  428   1HB   ASN  57          HB2       ASN  57  -3.408  -8.350   5.276
  429   2HB   ASN  57          HB3       ASN  57  -2.140  -7.168   4.943
  430   1HD2  ASN  57          HD21      ASN  57  -2.829  -9.672   3.514
  431   2HD2  ASN  57          HD22      ASN  57  -1.397 -10.699   3.606
  432    H    PHE  58           H        PHE  58  -1.562  -5.388   6.761
  433    HA   PHE  58           HA       PHE  58   1.247  -5.533   6.935
  434   1HB   PHE  58          HB2       PHE  58  -0.046  -3.593   6.113
  435   2HB   PHE  58          HB3       PHE  58  -0.611  -3.264   7.743
  436    HD1  PHE  58           HD1      PHE  58   2.576  -3.688   5.785
  437    HD2  PHE  58           HD2      PHE  58   0.622  -1.740   9.100
  438    HE1  PHE  58           HE1      PHE  58   4.470  -2.094   5.966
  439    HE2  PHE  58           HE2      PHE  58   2.520  -0.171   9.292
  440    HZ   PHE  58           HZ       PHE  58   4.442  -0.323   7.705
  441    H    GLU  59           H        GLU  59  -1.148  -4.870   9.523
  442    HA   GLU  59           HA       GLU  59   0.771  -4.675  11.659
  443   1HB   GLU  59          HB2       GLU  59  -2.236  -5.181  11.523
  444   2HB   GLU  59          HB3       GLU  59  -1.354  -5.067  13.042
  445   1HG   GLU  59          HG2       GLU  59  -1.408  -2.857  10.929
  446   2HG   GLU  59          HG3       GLU  59  -2.456  -2.930  12.351
  447    H    ASP  60           H        ASP  60  -1.065  -7.293  10.292
  448    HA   ASP  60           HA       ASP  60  -0.905  -9.252  12.336
  449   1HB   ASP  60          HB2       ASP  60  -2.498  -9.342  10.381
  450   2HB   ASP  60          HB3       ASP  60  -1.119  -9.497   9.304
  451    H    HIS  61           H        HIS  61   0.957  -8.700   9.390
  452    HA   HIS  61           HA       HIS  61   3.292 -10.310  10.321
  453   1HB   HIS  61          HB2       HIS  61   2.650  -8.829   7.742
  454   2HB   HIS  61          HB3       HIS  61   4.222  -9.550   8.101
  455    HD1  HIS  61           HD1      HIS  61   0.789 -11.369   8.724
  456    HD2  HIS  61           HD2      HIS  61   4.391 -11.520   6.518
  457    HE1  HIS  61           HE1      HIS  61   0.757 -13.525   7.420
  458    H    GLY  62           H        GLY  62   2.748  -8.488  12.094
  459   1HA   GLY  62          HA1       GLY  62   3.131  -6.020  12.503
  460   2HA   GLY  62          HA2       GLY  62   4.169  -7.120  13.407
  461    H    HIS  63           HN       HIS  63   3.991  -5.132  10.474
  462    HA   HIS  63           HA       HIS  63   6.646  -5.352   9.712
  463   1HB   HIS  63          HB2       HIS  63   4.455  -3.346   9.193
  464   2HB   HIS  63          HB3       HIS  63   6.072  -3.041   8.578
  465    HD1  HIS  63           HD1      HIS  63   3.478  -5.938   8.307
  466    HD2  HIS  63           HD2      HIS  63   6.744  -4.130   6.377
  467    HE1  HIS  63           HE1      HIS  63   3.611  -6.978   5.975
  468    H    SER  64           H        SER  64   8.542  -4.355  10.089
  469    HA   SER  64           HA       SER  64   8.954  -3.211  12.630
  470   1HB   SER  64          HB2       SER  64  10.829  -3.243  10.218
  471   2HB   SER  64          HB3       SER  64  11.303  -3.035  11.908
  472    HG   SER  64           HG       SER  64  10.158  -5.300  10.652
  473    H    THR  65           H        THR  65  10.107  -1.176  13.102
  474    HA   THR  65           HA       THR  65   8.669   1.128  12.398
  475    HB   THR  65           HB       THR  65   9.991   0.944  14.350
  476    HG1  THR  65           HG1      THR  65  10.562   3.104  12.644
  477   1HG2  THR  65          HG21      THR  65  12.069  -0.159  13.445
  478   2HG2  THR  65          HG22      THR  65  12.486   1.361  12.631
  479   3HG2  THR  65          HG23      THR  65  12.417   1.294  14.398
  480    H    ASP  66           H        ASP  66  11.523  -0.335  10.843
  481    HA   ASP  66           HA       ASP  66  12.312   1.698   9.135
  482   1HB   ASP  66          HB2       ASP  66  12.159  -1.265   8.383
  483   2HB   ASP  66          HB3       ASP  66  13.354  -0.066   7.878
  484    H    ALA  67           H        ALA  67   9.934  -0.876   8.573
  485    HA   ALA  67           HA       ALA  67   9.143  -0.113   5.942
  486   1HB   ALA  67          HB1       ALA  67   7.903  -1.916   8.052
  487   2HB   ALA  67          HB2       ALA  67   7.319  -1.790   6.381
  488   3HB   ALA  67          HB3       ALA  67   8.952  -2.416   6.721
  489    H    ARG  68           H        ARG  68   7.886   0.343   9.218
  490    HA   ARG  68           HA       ARG  68   5.500   1.775   8.588
  491   1HB   ARG  68          HB2       ARG  68   7.227   1.220  10.917
  492   2HB   ARG  68          HB3       ARG  68   6.224   2.654  11.107
  493   1HG   ARG  68          HG2       ARG  68   4.223   1.340  10.579
  494   2HG   ARG  68          HG3       ARG  68   5.201  -0.099  10.215
  495   1HD   ARG  68          HD2       ARG  68   5.846  -0.381  12.496
  496   2HD   ARG  68          HD3       ARG  68   5.262   1.223  12.941
  497    HE   ARG  68           HE       ARG  68   2.971   0.535  12.532
  498   1HH1  ARG  68          HH22      ARG  68   5.135  -2.305  12.811
  499   2HH1  ARG  68          HH21      ARG  68   3.977  -3.184  13.759
  500   1HH2  ARG  68          HH11      ARG  68   1.353  -0.924  13.263
  501   2HH2  ARG  68          HH12      ARG  68   1.744  -2.391  13.897
  502    H    GLU  69           H        GLU  69   8.709   3.162   9.574
  503    HA   GLU  69           HA       GLU  69   8.188   5.822   8.975
  504   1HB   GLU  69          HB2       GLU  69  10.367   4.593   9.845
  505   2HB   GLU  69          HB3       GLU  69  10.830   4.579   8.149
  506   1HG   GLU  69          HG2       GLU  69  11.776   6.521   9.279
  507   2HG   GLU  69          HG3       GLU  69  10.540   7.094   8.146
  508    H    LEU  70           H        LEU  70   9.386   3.312   6.714
  509    HA   LEU  70           HA       LEU  70   9.250   4.827   4.407
  510   1HB   LEU  70          HB2       LEU  70   9.226   1.921   5.010
  511   2HB   LEU  70          HB3       LEU  70   8.338   2.265   3.592
  512    HG   LEU  70           HG       LEU  70  10.411   1.821   2.756
  513   1HD1  LEU  70          HD11      LEU  70   9.665   4.270   2.197
  514   2HD1  LEU  70          HD12      LEU  70  11.054   4.744   3.188
  515   3HD1  LEU  70          HD13      LEU  70  11.305   3.731   1.758
  516   1HD2  LEU  70          HD21      LEU  70  12.558   2.493   3.788
  517   2HD2  LEU  70          HD22      LEU  70  11.661   3.269   5.115
  518   3HD2  LEU  70          HD23      LEU  70  11.544   1.512   4.864
  519    H    SER  71           H        SER  71   6.548   3.181   6.025
  520    HA   SER  71           HA       SER  71   4.649   3.622   3.952
  521   1HB   SER  71          HB2       SER  71   3.080   2.716   5.379
  522   2HB   SER  71          HB3       SER  71   4.552   2.050   6.071
  523    HG   SER  71           HG       SER  71   4.469   3.863   7.559
  524    H    LYS  72           H        LYS  72   5.863   5.707   6.507
  525    HA   LYS  72           HA       LYS  72   3.826   7.784   6.222
  526   1HB   LYS  72          HB2       LYS  72   6.761   8.273   6.893
  527   2HB   LYS  72          HB3       LYS  72   5.355   9.259   7.290
  528   1HG   LYS  72          HG2       LYS  72   4.537   7.420   8.761
  529   2HG   LYS  72          HG3       LYS  72   6.013   6.508   8.412
  530   1HD   LYS  72          HD2       LYS  72   7.365   8.486   9.133
  531   2HD   LYS  72          HD3       LYS  72   5.894   9.263   9.738
  532   1HE   LYS  72          HE2       LYS  72   5.614   7.551  11.455
  533   2HE   LYS  72          HE3       LYS  72   6.785   6.494  10.656
  534   1HZ   LYS  72          HZ1       LYS  72   8.301   8.589  11.067
  535   2HZ   LYS  72          HZ2       LYS  72   7.389   8.636  12.466
  536   3HZ   LYS  72          HZ3       LYS  72   8.286   7.308  11.947
  537    H    THR  73           H        THR  73   7.092   7.363   4.833
  538    HA   THR  73           HA       THR  73   6.677   9.668   3.128
  539    HB   THR  73           HB       THR  73   8.949   8.885   3.755
  540    HG1  THR  73           HG1      THR  73   8.151   9.464   1.110
  541   1HG2  THR  73          HG21      THR  73   8.556   6.884   1.481
  542   2HG2  THR  73          HG22      THR  73  10.097   7.327   2.241
  543   3HG2  THR  73          HG23      THR  73   8.845   6.531   3.196
  544    H    PHE  74           H        PHE  74   5.725   6.340   2.747
  545    HA   PHE  74           HA       PHE  74   4.997   6.656  -0.077
  546   1HB   PHE  74          HB2       PHE  74   4.214   4.574   1.972
  547   2HB   PHE  74          HB3       PHE  74   3.957   4.452   0.248
  548    HD1  PHE  74           HD1      PHE  74   6.944   5.707  -0.316
  549    HD2  PHE  74           HD2      PHE  74   5.296   2.379   1.886
  550    HE1  PHE  74           HE1      PHE  74   9.077   4.501  -0.525
  551    HE2  PHE  74           HE2      PHE  74   7.298   1.025   1.220
  552    HZ   PHE  74           HZ       PHE  74   9.274   2.178   0.441
  553    H    ILE  75           H        ILE  75   3.499   7.785   2.792
  554    HA   ILE  75           HA       ILE  75   0.774   7.579   2.023
  555    HB   ILE  75           HB       ILE  75   2.330   9.800   3.404
  556   1HG1  ILE  75          HG12      ILE  75   1.994   7.856   4.785
  557   2HG1  ILE  75          HG13      ILE  75   0.985   9.216   5.318
  558   1HG2  ILE  75          HG21      ILE  75   0.611  11.062   2.324
  559   2HG2  ILE  75          HG22      ILE  75  -0.630   9.853   2.698
  560   3HG2  ILE  75          HG23      ILE  75   0.098  10.831   3.988
  561   1HD1  ILE  75          HD11      ILE  75   0.021   6.746   3.858
  562   2HD1  ILE  75          HD12      ILE  75  -0.313   7.256   5.520
  563   3HD1  ILE  75          HD13      ILE  75  -0.957   8.202   4.162
  564    H    ILE  76           H        ILE  76  -0.385   8.246   0.359
  565    HA   ILE  76           HA       ILE  76   0.592  10.579  -1.279
  566    HB   ILE  76           HB       ILE  76  -0.261   9.284  -3.270
  567   1HG1  ILE  76          HG12      ILE  76   0.103   6.715  -1.774
  568   2HG1  ILE  76          HG13      ILE  76  -1.407   7.577  -1.468
  569   1HG2  ILE  76          HG21      ILE  76   2.136   9.538  -2.811
  570   2HG2  ILE  76          HG22      ILE  76   2.128   8.028  -1.885
  571   3HG2  ILE  76          HG23      ILE  76   1.752   8.013  -3.618
  572   1HD1  ILE  76          HD11      ILE  76  -1.470   5.901  -3.333
  573   2HD1  ILE  76          HD12      ILE  76  -2.132   7.510  -3.667
  574   3HD1  ILE  76          HD13      ILE  76  -0.523   7.065  -4.292
  575    H    GLY  77           H        GLY  77  -1.968   9.617   0.701
  576   1HA   GLY  77          HA1       GLY  77  -4.161  11.097  -0.454
  577   2HA   GLY  77          HA2       GLY  77  -3.995   9.551  -1.259
  578    H    GLU  78           H        GLU  78  -6.257   9.785  -0.075
  579    HA   GLU  78           HA       GLU  78  -6.027   8.004   2.239
  580   1HB   GLU  78          HB2       GLU  78  -7.745  10.531   2.046
  581   2HB   GLU  78          HB3       GLU  78  -7.568   9.462   3.456
  582   1HG   GLU  78          HG2       GLU  78  -6.385  11.379   4.043
  583   2HG   GLU  78          HG3       GLU  78  -5.170  10.162   3.664
  584    H    LEU  79           H        LEU  79  -7.980   6.992   2.742
  585    HA   LEU  79           HA       LEU  79  -9.479   5.953   0.515
  586   1HB   LEU  79          HB2       LEU  79  -8.789   4.674   2.468
  587   2HB   LEU  79          HB3       LEU  79  -9.720   5.702   3.559
  588    HG   LEU  79           HG       LEU  79 -10.546   3.379   3.059
  589   1HD1  LEU  79          HD11      LEU  79 -12.847   3.919   3.220
  590   2HD1  LEU  79          HD12      LEU  79 -11.960   5.161   4.101
  591   3HD1  LEU  79          HD13      LEU  79 -12.624   5.514   2.493
  592   1HD2  LEU  79          HD21      LEU  79 -10.096   3.557   0.595
  593   2HD2  LEU  79          HD22      LEU  79 -11.680   2.899   1.033
  594   3HD2  LEU  79          HD23      LEU  79 -11.549   4.579   0.464
  595    H    HIS  80           H        HIS  80 -10.960   7.223  -0.567
  596    HA   HIS  80           HA       HIS  80 -11.995   9.482   0.577
  597   1HB   HIS  80          HB2       HIS  80 -11.801   9.115  -1.831
  598   2HB   HIS  80          HB3       HIS  80 -13.153   7.958  -1.748
  599    HD1  HIS  80           HD1      HIS  80 -15.610   9.197  -1.468
  600    HD2  HIS  80           HD2      HIS  80 -12.209  11.602  -1.110
  601    HE1  HIS  80           HE1      HIS  80 -16.444  11.557  -0.930
  602    HA   PRO  81           HA       PRO  81 -14.827   7.585   3.228
  603   1HB   PRO  81          HB2       PRO  81 -16.169  10.392   3.142
  604   2HB   PRO  81          HB3       PRO  81 -16.007   9.389   4.575
  605   1HG   PRO  81          HG2       PRO  81 -14.248  11.473   3.962
  606   2HG   PRO  81          HG3       PRO  81 -13.556   9.930   4.579
  607   1HD   PRO  81          HD2       PRO  81 -13.679  10.979   1.772
  608   2HD   PRO  81          HD3       PRO  81 -12.480   9.951   2.612
  609    H    ASP  82           H        ASP  82 -16.105   8.793   0.499
  610    HA   ASP  82           HA       ASP  82 -18.922   8.294   0.943
  611   1HB   ASP  82          HB2       ASP  82 -18.012   9.711  -0.954
  612   2HB   ASP  82          HB3       ASP  82 -17.374   8.222  -1.702
  613    H    ASP  83           H        ASP  83 -16.079   6.438   0.588
  614    HA   ASP  83           HA       ASP  83 -16.935   3.856  -0.151
  615   1HB   ASP  83          HB2       ASP  83 -14.652   5.106  -0.110
  616   2HB   ASP  83          HB3       ASP  83 -14.633   4.993   1.578
  617    H    ARG  84           H        ARG  84 -15.359   3.430   2.524
  618    HA   ARG  84           HA       ARG  84 -15.641   2.595   4.613
  619   1HB   ARG  84          HB2       ARG  84 -17.728   4.769   4.774
  620   2HB   ARG  84          HB3       ARG  84 -16.942   3.944   6.145
  621   1HG   ARG  84          HG2       ARG  84 -14.772   4.878   5.523
  622   2HG   ARG  84          HG3       ARG  84 -15.452   5.593   4.056
  623   1HD   ARG  84          HD2       ARG  84 -15.223   7.275   5.825
  624   2HD   ARG  84          HD3       ARG  84 -16.903   7.080   5.369
  625    HE   ARG  84           HE       ARG  84 -15.540   6.223   7.864
  626   1HH1  ARG  84          HH22      ARG  84 -18.557   6.131   6.015
  627   2HH1  ARG  84          HH21      ARG  84 -19.554   5.640   7.339
  628   1HH2  ARG  84          HH11      ARG  84 -16.842   5.614   9.656
  629   2HH2  ARG  84          HH12      ARG  84 -18.552   5.370   9.476
  630    HHA  HEM 201           HGM      HEM 201   9.181  -8.795   5.363
  631    HHB  HEM 201           HDM      HEM 201   8.882  -2.495   4.093
  632    HHC  HEM 201           HAM      HEM 201   2.586  -3.078   2.960
  633    HHD  HEM 201           HBM      HEM 201   3.158  -9.540   3.267
  634   1HMA  HEM 201          HM81      HEM 201  11.096  -3.218   4.114
  635   2HMA  HEM 201          HM82      HEM 201  11.046  -3.317   5.885
  636   3HMA  HEM 201          HM83      HEM 201  12.067  -4.421   4.950
  637   1HAA  HEM 201          HP71      HEM 201  11.205  -7.856   5.839
  638   2HAA  HEM 201          HP72      HEM 201  11.907  -6.216   6.239
  639   1HBA  HEM 201          HP73      HEM 201  11.297  -7.447   8.241
  640   2HBA  HEM 201          HP74      HEM 201   9.562  -7.549   7.652
  641   1HMB  HEM 201          HM11      HEM 201   6.579   0.380   3.116
  642   2HMB  HEM 201          HM12      HEM 201   7.499  -0.286   4.452
  643   3HMB  HEM 201          HM13      HEM 201   8.059  -0.547   2.794
  644    HAB  HEM 201          HT2A      HEM 201   3.146  -0.980   2.359
  645   1HBB  HEM 201          HV2C      HEM 201   4.801   0.578   4.328
  646   2HBB  HEM 201          HV2T      HEM 201   2.986   0.829   3.835
  647   1HMC  HEM 201          HM31      HEM 201   0.586  -3.854   3.184
  648   2HMC  HEM 201          HM32      HEM 201  -0.061  -5.117   2.102
  649   3HMC  HEM 201          HM33      HEM 201  -0.138  -5.305   3.873
  650    HAC  HEM 201          HT4A      HEM 201  -0.182  -7.731   3.282
  651   1HBC  HEM 201          HV4C      HEM 201   1.688  -9.269   1.423
  652   2HBC  HEM 201          HV4T      HEM 201  -0.127  -9.539   1.692
  653   1HMD  HEM 201          HM51      HEM 201   3.888 -11.517   4.046
  654   2HMD  HEM 201          HM52      HEM 201   5.081 -11.874   2.781
  655   3HMD  HEM 201          HM53      HEM 201   5.368 -12.368   4.461
  656   1HAD  HEM 201          HP61      HEM 201   7.602 -12.158   4.410
  657   2HAD  HEM 201          HP62      HEM 201   8.877 -10.872   4.229
  658   1HBD  HEM 201          HP63      HEM 201   8.154 -10.390   6.793
  659   2HBD  HEM 201          HP64      HEM 201   7.727 -12.169   6.678
  Start of MODEL   13
    1   1H    ALA   3          H1        ALA   3  -4.585  21.046   2.100
    2   2H    ALA   3          H2        ALA   3  -5.737  21.202   0.966
    3   3H    ALA   3          H3        ALA   3  -5.907  22.021   2.406
    4    HA   ALA   3           HA       ALA   3  -6.147  19.981   3.593
    5   1HB   ALA   3          HB1       ALA   3  -8.232  19.112   2.596
    6   2HB   ALA   3          HB2       ALA   3  -8.211  20.877   2.487
    7   3HB   ALA   3          HB3       ALA   3  -7.848  19.895   1.051
    8    H    VAL   4           H        VAL   4  -6.853  17.463   2.766
    9    HA   VAL   4           HA       VAL   4  -4.490  16.348   1.437
   10    HB   VAL   4           HB       VAL   4  -5.696  14.206   1.682
   11   1HG1  VAL   4          HG11      VAL   4  -5.751  15.772   4.272
   12   2HG1  VAL   4          HG12      VAL   4  -5.649  14.013   4.051
   13   3HG1  VAL   4          HG13      VAL   4  -4.307  15.044   3.530
   14   1HG2  VAL   4          HG21      VAL   4  -8.043  15.101   1.403
   15   2HG2  VAL   4          HG22      VAL   4  -7.809  14.017   2.782
   16   3HG2  VAL   4          HG23      VAL   4  -7.937  15.761   3.048
   17    H    LYS   5           H        LYS   5  -5.668  14.485  -0.276
   18    HA   LYS   5           HA       LYS   5  -6.884  16.086  -2.483
   19   1HB   LYS   5          HB2       LYS   5  -5.811  13.239  -2.462
   20   2HB   LYS   5          HB3       LYS   5  -6.360  14.156  -3.858
   21   1HG   LYS   5          HG2       LYS   5  -4.372  15.539  -3.811
   22   2HG   LYS   5          HG3       LYS   5  -3.897  14.909  -2.215
   23   1HD   LYS   5          HD2       LYS   5  -3.806  12.602  -3.144
   24   2HD   LYS   5          HD3       LYS   5  -4.188  13.237  -4.754
   25   1HE   LYS   5          HE2       LYS   5  -2.068  14.373  -4.897
   26   2HE   LYS   5          HE3       LYS   5  -1.748  14.143  -3.165
   27   1HZ   LYS   5          HZ1       LYS   5  -1.595  11.818  -3.495
   28   2HZ   LYS   5          HZ2       LYS   5  -1.964  11.911  -5.085
   29   3HZ   LYS   5          HZ3       LYS   5  -0.540  12.556  -4.531
   30    H    TYR   6           H        TYR   6  -6.827  13.256  -0.407
   31    HA   TYR   6           HA       TYR   6  -7.975  11.427  -0.155
   32   1HB   TYR   6          HB2       TYR   6 -10.485  13.097  -0.799
   33   2HB   TYR   6          HB3       TYR   6 -10.329  11.387  -0.587
   34    HD1  TYR   6           HD1      TYR   6 -10.529  14.471   1.366
   35    HD2  TYR   6           HD2      TYR   6  -9.869  10.227   1.345
   36    HE1  TYR   6           HE1      TYR   6 -10.822  14.402   3.831
   37    HE2  TYR   6           HE2      TYR   6 -10.121  10.133   3.752
   38    HH   TYR   6           HH       TYR   6 -10.393  13.039   5.760
   39    H    TYR   7           H        TYR   7  -8.775   9.768  -1.114
   40    HA   TYR   7           HA       TYR   7  -8.759   9.631  -4.057
   41   1HB   TYR   7          HB2       TYR   7  -6.830   8.974  -1.938
   42   2HB   TYR   7          HB3       TYR   7  -7.310   7.551  -2.630
   43    HD1  TYR   7           HD1      TYR   7  -7.150  10.524  -4.977
   44    HD2  TYR   7           HD2      TYR   7  -4.692   7.661  -2.865
   45    HE1  TYR   7           HE1      TYR   7  -5.196  11.368  -6.122
   46    HE2  TYR   7           HE2      TYR   7  -2.708   8.595  -4.006
   47    HH   TYR   7           HH       TYR   7  -2.152   9.777  -6.098
   48    H    THR   8           H        THR   8 -10.067   8.120  -4.822
   49    HA   THR   8           HA       THR   8 -12.147   7.227  -2.879
   50    HB   THR   8           HB       THR   8 -13.526   6.909  -4.917
   51    HG1  THR   8           HG1      THR   8 -11.533   8.264  -6.386
   52   1HG2  THR   8          HG21      THR   8 -13.584   9.065  -3.717
   53   2HG2  THR   8          HG22      THR   8 -12.229   9.669  -4.701
   54   3HG2  THR   8          HG23      THR   8 -13.790   9.297  -5.464
   55    H    LEU   9           H        LEU   9 -12.793   4.963  -2.806
   56    HA   LEU   9           HA       LEU   9 -10.959   2.934  -3.377
   57   1HB   LEU   9          HB2       LEU   9 -12.601   2.457  -2.026
   58   2HB   LEU   9          HB3       LEU   9 -13.923   3.017  -3.073
   59    HG   LEU   9           HG       LEU   9 -12.227   0.540  -3.665
   60   1HD1  LEU   9          HD11      LEU   9 -13.109   0.292  -1.393
   61   2HD1  LEU   9          HD12      LEU   9 -14.742   0.698  -1.960
   62   3HD1  LEU   9          HD13      LEU   9 -13.951  -0.800  -2.502
   63   1HD2  LEU   9          HD21      LEU   9 -13.708   1.192  -5.554
   64   2HD2  LEU   9          HD22      LEU   9 -14.380  -0.226  -4.764
   65   3HD2  LEU   9          HD23      LEU   9 -15.076   1.369  -4.438
   66    H    GLU  10           H        GLU  10 -13.368   4.344  -5.580
   67    HA   GLU  10           HA       GLU  10 -13.141   2.773  -7.818
   68   1HB   GLU  10          HB2       GLU  10 -14.510   4.841  -7.614
   69   2HB   GLU  10          HB3       GLU  10 -13.063   5.829  -7.768
   70   1HG   GLU  10          HG2       GLU  10 -14.253   5.725  -9.887
   71   2HG   GLU  10          HG3       GLU  10 -12.671   4.962 -10.048
   72    H    GLU  11           H        GLU  11 -10.949   5.509  -7.025
   73    HA   GLU  11           HA       GLU  11  -9.024   4.933  -9.119
   74   1HB   GLU  11          HB2       GLU  11  -8.754   6.436  -6.435
   75   2HB   GLU  11          HB3       GLU  11  -7.499   6.329  -7.631
   76   1HG   GLU  11          HG2       GLU  11 -10.270   7.511  -8.199
   77   2HG   GLU  11          HG3       GLU  11  -8.887   8.467  -7.643
   78    H    ILE  12           H        ILE  12  -9.207   4.217  -5.631
   79    HA   ILE  12           HA       ILE  12  -6.570   3.415  -5.536
   80    HB   ILE  12           HB       ILE  12  -8.847   2.642  -3.666
   81   1HG1  ILE  12          HG12      ILE  12  -6.678   4.679  -3.059
   82   2HG1  ILE  12          HG13      ILE  12  -8.056   5.182  -4.017
   83   1HG2  ILE  12          HG21      ILE  12  -5.859   2.350  -3.307
   84   2HG2  ILE  12          HG22      ILE  12  -7.012   2.303  -1.959
   85   3HG2  ILE  12          HG23      ILE  12  -7.116   1.086  -3.226
   86   1HD1  ILE  12          HD11      ILE  12  -8.173   4.027  -1.193
   87   2HD1  ILE  12          HD12      ILE  12  -8.471   5.694  -1.698
   88   3HD1  ILE  12          HD13      ILE  12  -9.585   4.415  -2.185
   89    H    GLN  13           H        GLU  13  -9.451   1.497  -6.212
   90    HA   GLN  13           HA       GLU  13  -8.341  -1.163  -6.031
   91   1HB   GLN  13          HB2       GLU  13 -10.451   0.140  -7.816
   92   2HB   GLN  13          HB3       GLU  13 -10.039  -1.574  -7.972
   93   1HG   GLN  13          HG2       GLU  13 -10.883  -1.997  -5.718
   94   2HG   GLN  13          HG3       GLU  13 -11.309  -0.284  -5.556
   95    H    LYS  14           H        LYS  14  -8.796   1.150  -8.534
   96    HA   LYS  14           HA       LYS  14  -7.884  -0.095 -10.858
   97   1HB   LYS  14          HB2       LYS  14  -8.890   2.428  -9.911
   98   2HB   LYS  14          HB3       LYS  14  -7.404   2.809 -10.594
   99   1HG   LYS  14          HG2       LYS  14  -8.819   3.028 -12.397
  100   2HG   LYS  14          HG3       LYS  14  -8.572   1.285 -12.638
  101   1HD   LYS  14          HD2       LYS  14 -10.832   2.749 -11.178
  102   2HD   LYS  14          HD3       LYS  14 -10.983   1.937 -12.716
  103   1HE   LYS  14          HE2       LYS  14 -11.367  -0.104 -11.779
  104   2HE   LYS  14          HE3       LYS  14 -10.121   0.086 -10.549
  105   1HZ   LYS  14          HZ1       LYS  14 -12.786   1.334 -10.390
  106   2HZ   LYS  14          HZ2       LYS  14 -12.280   0.026  -9.486
  107   3HZ   LYS  14          HZ3       LYS  14 -11.592   1.499  -9.323
  108    H    HIS  15           H        HIS  15  -6.176   1.945  -8.495
  109    HA   HIS  15           HA       HIS  15  -3.557   1.552  -9.704
  110   1HB   HIS  15          HB2       HIS  15  -4.628   2.887  -7.221
  111   2HB   HIS  15          HB3       HIS  15  -2.916   2.472  -7.418
  112    HD1  HIS  15           HD1      HIS  15  -1.446   3.774  -8.887
  113    HD2  HIS  15           HD2      HIS  15  -5.513   4.718  -9.304
  114    HE1  HIS  15           HE1      HIS  15  -1.569   5.843 -10.448
  115    H    ASN  16           H        ASN  16  -4.194  -0.822  -9.725
  116    HA   ASN  16           HA       ASN  16  -2.060  -1.916  -8.006
  117   1HB   ASN  16          HB2       ASN  16  -3.170  -3.866  -7.272
  118   2HB   ASN  16          HB3       ASN  16  -4.166  -2.470  -6.835
  119   1HD2  ASN  16          HD21      ASN  16  -5.576  -4.537  -6.561
  120   2HD2  ASN  16          HD22      ASN  16  -6.613  -4.895  -7.941
  121    H    ASN  17           H        ASN  17  -2.604  -1.138 -10.887
  122    HA   ASN  17           HA       ASN  17  -1.999  -3.704 -12.250
  123   1HB   ASN  17          HB2       ASN  17  -4.057  -2.276 -12.842
  124   2HB   ASN  17          HB3       ASN  17  -2.925  -1.067 -13.447
  125   1HD2  ASN  17          HD21      ASN  17  -4.150  -4.411 -13.857
  126   2HD2  ASN  17          HD22      ASN  17  -3.588  -4.588 -15.509
  127    H    SER  18           H        SER  18  -0.829  -2.207 -14.501
  128    HA   SER  18           HA       SER  18   1.917  -1.985 -13.373
  129   1HB   SER  18          HB2       SER  18   1.435  -3.617 -15.241
  130   2HB   SER  18          HB3       SER  18   1.061  -2.230 -16.288
  131    HG   SER  18           HG       SER  18   3.273  -2.910 -16.416
  132    H    LYS  19           H        LYS  19   0.814  -0.054 -12.443
  133    HA   LYS  19           HA       LYS  19   0.880   2.368 -14.196
  134   1HB   LYS  19          HB2       LYS  19  -1.366   1.317 -12.418
  135   2HB   LYS  19          HB3       LYS  19  -1.315   2.964 -13.018
  136   1HG   LYS  19          HG2       LYS  19  -1.442   0.512 -14.834
  137   2HG   LYS  19          HG3       LYS  19  -2.820   1.390 -14.194
  138   1HD   LYS  19          HD2       LYS  19  -2.726   2.392 -16.183
  139   2HD   LYS  19          HD3       LYS  19  -1.716   3.519 -15.273
  140   1HE   LYS  19          HE2       LYS  19   0.327   2.452 -16.248
  141   2HE   LYS  19          HE3       LYS  19  -0.673   1.207 -17.010
  142   1HZ   LYS  19          HZ1       LYS  19  -0.725   4.086 -17.620
  143   2HZ   LYS  19          HZ2       LYS  19  -0.010   2.912 -18.520
  144   3HZ   LYS  19          HZ3       LYS  19  -1.646   2.933 -18.359
  145    H    SER  20           H        SER  20  -0.246   1.960 -10.827
  146    HA   SER  20           HA       SER  20   2.289   1.945  -9.781
  147   1HB   SER  20          HB2       SER  20   2.055   4.486 -10.331
  148   2HB   SER  20          HB3       SER  20   0.944   4.542  -8.956
  149    HG   SER  20           HG       SER  20   2.566   4.152  -7.646
  150    H    THR  21           H        THR  21   2.112   1.089  -7.795
  151    HA   THR  21           HA       THR  21  -0.426  -0.258  -7.339
  152    HB   THR  21           HB       THR  21   2.406  -0.772  -6.353
  153    HG1  THR  21           HG1      THR  21   1.044  -1.687  -8.662
  154   1HG2  THR  21          HG21      THR  21   0.743  -2.056  -5.071
  155   2HG2  THR  21          HG22      THR  21   0.001  -2.636  -6.585
  156   3HG2  THR  21          HG23      THR  21   1.650  -3.125  -6.152
  157    H    TRP  22           H        TRP  22  -1.755   0.493  -5.830
  158    HA   TRP  22           HA       TRP  22  -0.850   2.091  -3.495
  159   1HB   TRP  22          HB2       TRP  22  -3.362   1.837  -5.136
  160   2HB   TRP  22          HB3       TRP  22  -3.388   2.626  -3.613
  161    HD1  TRP  22           HD1      TRP  22  -0.193   3.307  -5.485
  162    HE1  TRP  22           HE1      TRP  22  -0.185   5.459  -6.677
  163    HE3  TRP  22           HE3      TRP  22  -5.036   4.553  -4.633
  164    HZ2  TRP  22           HZ2      TRP  22  -2.266   7.466  -7.546
  165    HZ3  TRP  22           HZ3      TRP  22  -6.072   6.496  -5.779
  166    HH2  TRP  22           HH2      TRP  22  -4.744   7.883  -7.317
  167    H    LEU  23           H        LEU  23  -1.668   1.567  -1.364
  168    HA   LEU  23           HA       LEU  23  -3.796  -0.446  -1.194
  169   1HB   LEU  23          HB2       LEU  23  -2.128  -1.175   0.988
  170   2HB   LEU  23          HB3       LEU  23  -2.645  -2.123  -0.353
  171    HG   LEU  23           HG       LEU  23  -0.551  -1.166  -1.617
  172   1HD1  LEU  23          HD11      LEU  23   1.105  -0.252  -0.294
  173   2HD1  LEU  23          HD12      LEU  23  -0.330   0.424   0.448
  174   3HD1  LEU  23          HD13      LEU  23   0.470  -0.964   1.220
  175   1HD2  LEU  23          HD21      LEU  23  -0.354  -3.176   0.658
  176   2HD2  LEU  23          HD22      LEU  23  -0.814  -3.521  -1.023
  177   3HD2  LEU  23          HD23      LEU  23   0.827  -2.964  -0.655
  178    H    ILE  24           H        ILE  24  -4.804  -0.464   0.986
  179    HA   ILE  24           HA       ILE  24  -4.487   2.194   2.296
  180    HB   ILE  24           HB       ILE  24  -6.762   0.273   2.822
  181   1HG1  ILE  24          HG12      ILE  24  -6.871   2.363   0.616
  182   2HG1  ILE  24          HG13      ILE  24  -6.713   0.623   0.339
  183   1HG2  ILE  24          HG21      ILE  24  -6.335   2.276   4.287
  184   2HG2  ILE  24          HG22      ILE  24  -6.711   3.302   2.887
  185   3HG2  ILE  24          HG23      ILE  24  -7.943   2.222   3.573
  186   1HD1  ILE  24          HD11      ILE  24  -9.083   1.933   1.679
  187   2HD1  ILE  24          HD12      ILE  24  -9.008   1.203   0.068
  188   3HD1  ILE  24          HD13      ILE  24  -8.824   0.184   1.507
  189    H    LEU  25           H        LEU  25  -3.557   2.376   4.148
  190    HA   LEU  25           HA       LEU  25  -3.302   0.030   6.006
  191   1HB   LEU  25          HB2       LEU  25  -1.192   1.743   4.819
  192   2HB   LEU  25          HB3       LEU  25  -1.008   1.240   6.499
  193    HG   LEU  25           HG       LEU  25  -1.023  -1.084   5.875
  194   1HD1  LEU  25          HD11      LEU  25  -1.558  -0.077   3.078
  195   2HD1  LEU  25          HD12      LEU  25  -0.683  -1.595   3.354
  196   3HD1  LEU  25          HD13      LEU  25  -2.310  -1.420   3.999
  197   1HD2  LEU  25          HD21      LEU  25   1.103   0.277   5.825
  198   2HD2  LEU  25          HD22      LEU  25   1.149  -1.104   4.706
  199   3HD2  LEU  25          HD23      LEU  25   0.836   0.538   4.094
  200    H    HIS  26           H        HIS  26  -4.972   0.919   7.298
  201    HA   HIS  26           HA       HIS  26  -5.798   2.198   9.001
  202   1HB   HIS  26          HB2       HIS  26  -3.322   3.948   9.092
  203   2HB   HIS  26          HB3       HIS  26  -4.442   3.537  10.371
  204    HD1  HIS  26           HD1      HIS  26  -4.095   1.009  11.463
  205    HD2  HIS  26           HD2      HIS  26  -1.158   2.428   8.801
  206    HE1  HIS  26           HE1      HIS  26  -2.025  -0.403  11.846
  207    H    TYR  27           H        TYR  27  -6.708   2.654   6.598
  208    HA   TYR  27           HA       TYR  27  -8.009   3.982   5.384
  209   1HB   TYR  27          HB2       TYR  27  -7.728   5.983   7.643
  210   2HB   TYR  27          HB3       TYR  27  -8.815   6.142   6.273
  211    HD1  TYR  27           HD1      TYR  27 -10.561   4.317   5.813
  212    HD2  TYR  27           HD2      TYR  27  -8.405   4.647   9.542
  213    HE1  TYR  27           HE1      TYR  27 -12.208   2.845   6.893
  214    HE2  TYR  27           HE2      TYR  27 -10.124   3.237  10.645
  215    HH   TYR  27           HH       TYR  27 -12.855   1.797   8.857
  216    H    LYS  28           H        LYS  28  -4.986   5.533   6.320
  217    HA   LYS  28           HA       LYS  28  -4.846   7.299   3.998
  218   1HB   LYS  28          HB2       LYS  28  -2.967   6.279   6.104
  219   2HB   LYS  28          HB3       LYS  28  -2.259   6.654   4.524
  220   1HG   LYS  28          HG2       LYS  28  -2.159   8.522   6.158
  221   2HG   LYS  28          HG3       LYS  28  -2.803   8.856   4.546
  222   1HD   LYS  28          HD2       LYS  28  -4.132  10.029   6.013
  223   2HD   LYS  28          HD3       LYS  28  -5.128   8.706   5.463
  224   1HE   LYS  28          HE2       LYS  28  -4.466   7.508   7.686
  225   2HE   LYS  28          HE3       LYS  28  -3.954   9.130   8.195
  226   1HZ   LYS  28          HZ1       LYS  28  -6.210   9.011   8.779
  227   2HZ   LYS  28          HZ2       LYS  28  -6.252   9.794   7.307
  228   3HZ   LYS  28          HZ3       LYS  28  -6.627   8.226   7.387
  229    H    VAL  29           H        VAL  29  -3.577   7.000   2.142
  230    HA   VAL  29           HA       VAL  29  -3.681   4.228   1.074
  231    HB   VAL  29           HB       VAL  29  -4.203   6.876  -0.309
  232   1HG1  VAL  29          HG11      VAL  29  -4.025   4.049  -1.442
  233   2HG1  VAL  29          HG12      VAL  29  -4.625   5.483  -2.299
  234   3HG1  VAL  29          HG13      VAL  29  -2.927   5.388  -1.815
  235   1HG2  VAL  29          HG21      VAL  29  -5.902   4.363  -0.125
  236   2HG2  VAL  29          HG22      VAL  29  -6.085   5.695   1.028
  237   3HG2  VAL  29          HG23      VAL  29  -6.382   5.974  -0.706
  238    H    TYR  30           H        TYR  30  -1.907   3.500   0.062
  239    HA   TYR  30           HA       TYR  30   0.642   4.971   0.540
  240   1HB   TYR  30          HB2       TYR  30  -0.550   2.317   1.312
  241   2HB   TYR  30          HB3       TYR  30   1.160   2.433   1.287
  242    HD1  TYR  30           HD1      TYR  30  -2.052   3.633   2.691
  243    HD2  TYR  30           HD2      TYR  30   2.210   3.758   3.231
  244    HE1  TYR  30           HE1      TYR  30  -2.371   4.352   4.979
  245    HE2  TYR  30           HE2      TYR  30   1.841   4.554   5.589
  246    HH   TYR  30           HH       TYR  30  -1.365   4.268   7.029
  247    H    ASP  31           H        ASP  31   1.802   5.079  -1.378
  248    HA   ASP  31           HA       ASP  31   1.295   3.099  -3.560
  249   1HB   ASP  31          HB2       ASP  31   1.321   5.594  -4.055
  250   2HB   ASP  31          HB3       ASP  31   3.053   5.561  -3.634
  251    H    LEU  32           H        LEU  32   2.863   1.539  -3.867
  252    HA   LEU  32           HA       LEU  32   5.513   2.078  -2.541
  253   1HB   LEU  32          HB2       LEU  32   4.791  -0.784  -2.863
  254   2HB   LEU  32          HB3       LEU  32   5.702   0.065  -1.601
  255    HG   LEU  32           HG       LEU  32   2.712   0.034  -1.890
  256   1HD1  LEU  32          HD11      LEU  32   2.834  -1.464   0.103
  257   2HD1  LEU  32          HD12      LEU  32   3.745  -2.087  -1.263
  258   3HD1  LEU  32          HD13      LEU  32   4.603  -1.319   0.096
  259   1HD2  LEU  32          HD21      LEU  32   4.399   1.841  -0.481
  260   2HD2  LEU  32          HD22      LEU  32   2.631   1.716  -0.390
  261   3HD2  LEU  32          HD23      LEU  32   3.642   0.808   0.745
  262    H    THR  33           H        THR  33   4.261  -0.238  -4.946
  263    HA   THR  33           HA       THR  33   4.963  -0.811  -7.034
  264    HB   THR  33           HB       THR  33   5.389   2.188  -7.194
  265    HG1  THR  33           HG1      THR  33   3.609   2.416  -6.336
  266   1HG2  THR  33          HG21      THR  33   4.465   1.975  -9.410
  267   2HG2  THR  33          HG22      THR  33   5.731   0.753  -9.286
  268   3HG2  THR  33          HG23      THR  33   4.031   0.269  -9.126
  269    H    LYS  34           H        LYS  34   7.191   1.807  -6.425
  270    HA   LYS  34           HA       LYS  34   9.535   0.876  -7.815
  271   1HB   LYS  34          HB2       LYS  34   9.185   2.847  -5.499
  272   2HB   LYS  34          HB3       LYS  34  10.557   2.734  -6.590
  273   1HG   LYS  34          HG2       LYS  34   9.284   4.721  -7.036
  274   2HG   LYS  34          HG3       LYS  34   9.194   3.654  -8.441
  275   1HD   LYS  34          HD2       LYS  34   6.973   3.157  -8.089
  276   2HD   LYS  34          HD3       LYS  34   7.017   3.644  -6.335
  277   1HE   LYS  34          HE2       LYS  34   7.035   5.974  -6.998
  278   2HE   LYS  34          HE3       LYS  34   6.873   5.511  -8.703
  279   1HZ   LYS  34          HZ1       LYS  34   4.881   4.744  -6.593
  280   2HZ   LYS  34          HZ2       LYS  34   4.753   6.058  -7.546
  281   3HZ   LYS  34          HZ3       LYS  34   4.674   4.569  -8.185
  282    H    PHE  35           H        PHE  35   7.950   0.370  -4.744
  283    HA   PHE  35           HA       PHE  35  10.293  -0.571  -3.284
  284   1HB   PHE  35          HB2       PHE  35   8.240   0.708  -2.330
  285   2HB   PHE  35          HB3       PHE  35   7.344  -0.807  -2.667
  286    HD1  PHE  35           HD1      PHE  35  10.700  -0.025  -1.059
  287    HD2  PHE  35           HD2      PHE  35   6.841  -1.948  -0.714
  288    HE1  PHE  35           HE1      PHE  35  11.433  -1.147   1.007
  289    HE2  PHE  35           HE2      PHE  35   7.555  -2.998   1.372
  290    HZ   PHE  35           HZ       PHE  35   9.959  -2.773   2.125
  291    H    LEU  36           H        LEU  36   7.847  -1.928  -5.371
  292    HA   LEU  36           HA       LEU  36   7.170  -4.296  -4.031
  293   1HB   LEU  36          HB2       LEU  36   7.406  -3.642  -7.005
  294   2HB   LEU  36          HB3       LEU  36   6.639  -5.071  -6.398
  295    HG   LEU  36           HG       LEU  36   5.607  -2.379  -5.695
  296   1HD1  LEU  36          HD11      LEU  36   4.898  -4.456  -7.839
  297   2HD1  LEU  36          HD12      LEU  36   3.856  -3.062  -7.467
  298   3HD1  LEU  36          HD13      LEU  36   5.480  -2.823  -8.151
  299   1HD2  LEU  36          HD21      LEU  36   3.908  -3.360  -4.575
  300   2HD2  LEU  36          HD22      LEU  36   3.826  -4.758  -5.640
  301   3HD2  LEU  36          HD23      LEU  36   5.055  -4.705  -4.382
  302    H    GLU  37           H        GLU  37   9.853  -3.605  -6.213
  303    HA   GLU  37           HA       GLU  37  10.956  -6.230  -6.342
  304   1HB   GLU  37          HB2       GLU  37  11.363  -4.135  -7.816
  305   2HB   GLU  37          HB3       GLU  37  12.502  -3.603  -6.574
  306   1HG   GLU  37          HG2       GLU  37  13.725  -5.769  -6.848
  307   2HG   GLU  37          HG3       GLU  37  12.579  -6.215  -8.131
  308    H    GLU  38           H        GLU  38  11.597  -3.415  -4.270
  309    HA   GLU  38           HA       GLU  38  13.810  -4.437  -2.806
  310   1HB   GLU  38          HB2       GLU  38  12.883  -2.005  -2.997
  311   2HB   GLU  38          HB3       GLU  38  11.748  -2.468  -1.737
  312   1HG   GLU  38          HG2       GLU  38  13.699  -3.063  -0.269
  313   2HG   GLU  38          HG3       GLU  38  14.788  -2.480  -1.542
  314    H    HIS  39           HN       HIS  39  10.332  -4.488  -2.210
  315    HA   HIS  39           HA       HIS  39  10.125  -5.019   0.399
  316   1HB   HIS  39          HB2       HIS  39   8.250  -4.601  -1.144
  317   2HB   HIS  39          HB3       HIS  39   8.414  -6.239  -1.797
  318    HD1  HIS  39           HD1      HIS  39   6.323  -7.601  -0.817
  319    HD2  HIS  39           HD2      HIS  39   8.306  -5.051   1.930
  320    HE1  HIS  39           HE1      HIS  39   5.115  -7.780   1.356
  321    HA   PRO  40           HA       PRO  40  12.065  -9.117   0.918
  322   1HB   PRO  40          HB2       PRO  40  10.613  -8.807   3.561
  323   2HB   PRO  40          HB3       PRO  40  12.231  -9.502   3.253
  324   1HG   PRO  40          HG2       PRO  40  12.062  -6.953   4.123
  325   2HG   PRO  40          HG3       PRO  40  13.121  -7.312   2.729
  326   1HD   PRO  40          HD2       PRO  40  10.298  -6.221   2.677
  327   2HD   PRO  40          HD3       PRO  40  11.754  -5.632   1.807
  328    H    GLY  41           H        GLY  41   8.629  -8.411   1.723
  329   1HA   GLY  41          HA1       GLY  41   7.673 -11.123   1.511
  330   2HA   GLY  41          HA2       GLY  41   6.725  -9.663   1.411
  331    H    GLY  42           H        GLY  42   8.864  -8.970  -0.952
  332   1HA   GLY  42          HA1       GLY  42   8.905  -9.152  -3.240
  333   2HA   GLY  42          HA2       GLY  42   7.959 -10.651  -3.125
  334    H    GLU  43           H        GLU  43   7.463  -9.058  -5.163
  335    HA   GLU  43           HA       GLU  43   5.574  -6.978  -4.779
  336   1HB   GLU  43          HB2       GLU  43   6.847  -7.146  -6.805
  337   2HB   GLU  43          HB3       GLU  43   6.211  -8.701  -7.217
  338   1HG   GLU  43          HG2       GLU  43   3.964  -7.986  -7.479
  339   2HG   GLU  43          HG3       GLU  43   4.372  -6.348  -7.003
  340    H    GLU  44           H        GLU  44   5.033 -10.321  -5.956
  341    HA   GLU  44           HA       GLU  44   2.528 -10.494  -6.420
  342   1HB   GLU  44          HB2       GLU  44   3.748 -12.555  -4.494
  343   2HB   GLU  44          HB3       GLU  44   2.455 -12.814  -5.673
  344   1HG   GLU  44          HG2       GLU  44   5.401 -12.274  -6.266
  345   2HG   GLU  44          HG3       GLU  44   4.485 -13.753  -6.549
  346    H    VAL  45           H        VAL  45   3.423 -10.945  -2.996
  347    HA   VAL  45           HA       VAL  45   0.790 -11.138  -2.072
  348    HB   VAL  45           HB       VAL  45   1.713 -11.042   0.133
  349   1HG1  VAL  45          HG11      VAL  45   3.737 -12.315   0.132
  350   2HG1  VAL  45          HG12      VAL  45   2.885 -12.794  -1.354
  351   3HG1  VAL  45          HG13      VAL  45   4.255 -11.637  -1.408
  352   1HG2  VAL  45          HG21      VAL  45   4.032  -9.338  -0.894
  353   2HG2  VAL  45          HG22      VAL  45   2.748  -8.797   0.204
  354   3HG2  VAL  45          HG23      VAL  45   3.901 -10.014   0.734
  355    H    LEU  46           H        LEU  46   2.816  -8.382  -2.616
  356    HA   LEU  46           HA       LEU  46   1.259  -6.473  -1.137
  357   1HB   LEU  46          HB2       LEU  46   3.850  -6.736  -1.841
  358   2HB   LEU  46          HB3       LEU  46   3.335  -5.823  -3.254
  359    HG   LEU  46           HG       LEU  46   2.713  -3.949  -1.812
  360   1HD1  LEU  46          HD11      LEU  46   3.549  -5.780   0.476
  361   2HD1  LEU  46          HD12      LEU  46   3.342  -4.021   0.624
  362   3HD1  LEU  46          HD13      LEU  46   1.955  -5.022   0.245
  363   1HD2  LEU  46          HD21      LEU  46   5.465  -5.229  -1.610
  364   2HD2  LEU  46          HD22      LEU  46   4.986  -3.727  -2.409
  365   3HD2  LEU  46          HD23      LEU  46   5.167  -3.781  -0.658
  366    H    ARG  47           H        ARG  47   1.629  -7.582  -4.458
  367    HA   ARG  47           HA       ARG  47   0.064  -5.505  -5.727
  368   1HB   ARG  47          HB2       ARG  47   1.831  -7.040  -6.806
  369   2HB   ARG  47          HB3       ARG  47   0.619  -8.316  -6.738
  370   1HG   ARG  47          HG2       ARG  47  -0.939  -6.881  -8.103
  371   2HG   ARG  47          HG3       ARG  47   0.297  -5.615  -8.149
  372   1HD   ARG  47          HD2       ARG  47   0.303  -6.933 -10.222
  373   2HD   ARG  47          HD3       ARG  47   1.825  -7.072  -9.350
  374    HE   ARG  47           HE       ARG  47  -0.403  -9.094  -9.253
  375   1HH1  ARG  47          HH22      ARG  47   3.161  -8.553  -9.601
  376   2HH1  ARG  47          HH21      ARG  47   3.520 -10.181  -9.133
  377   1HH2  ARG  47          HH11      ARG  47   0.161 -11.257  -8.787
  378   2HH2  ARG  47          HH12      ARG  47   1.830 -11.749  -8.872
  379    H    GLU  48           H        GLU  48  -0.458  -8.812  -4.582
  380    HA   GLU  48           HA       GLU  48  -3.111  -9.237  -5.362
  381   1HB   GLU  48          HB2       GLU  48  -1.429 -10.903  -4.571
  382   2HB   GLU  48          HB3       GLU  48  -1.542 -10.223  -2.955
  383   1HG   GLU  48          HG2       GLU  48  -2.876 -12.253  -3.050
  384   2HG   GLU  48          HG3       GLU  48  -4.034 -10.919  -3.003
  385    H    GLN  49           H        GLN  49  -1.818  -7.872  -2.253
  386    HA   GLN  49           HA       GLN  49  -4.488  -7.276  -1.229
  387   1HB   GLN  49          HB2       GLN  49  -1.734  -6.206  -0.508
  388   2HB   GLN  49          HB3       GLN  49  -3.222  -5.743   0.311
  389   1HG   GLN  49          HG2       GLN  49  -2.126  -8.578   0.178
  390   2HG   GLN  49          HG3       GLN  49  -1.926  -7.450   1.528
  391   1HE2  GLN  49          HE21      GLN  49  -4.881  -6.431   1.290
  392   2HE2  GLN  49          HE22      GLN  49  -5.723  -7.773   2.003
  393    H    ALA  50           H        ALA  50  -2.071  -5.548  -3.190
  394    HA   ALA  50           HA       ALA  50  -2.902  -2.993  -2.726
  395   1HB   ALA  50          HB1       ALA  50  -1.949  -2.405  -4.986
  396   2HB   ALA  50          HB2       ALA  50  -0.884  -3.360  -3.945
  397   3HB   ALA  50          HB3       ALA  50  -1.760  -4.128  -5.296
  398    H    GLY  51           H        GLY  51  -4.076  -1.440  -3.842
  399   1HA   GLY  51          HA1       GLY  51  -6.153  -0.657  -4.235
  400   2HA   GLY  51          HA2       GLY  51  -6.172  -1.680  -5.671
  401    H    GLY  52           H        GLY  52  -5.873  -2.045  -2.139
  402   1HA   GLY  52          HA1       GLY  52  -8.576  -2.100  -1.502
  403   2HA   GLY  52          HA2       GLY  52  -7.936  -3.777  -1.477
  404    H    ASP  53           H        ASP  53  -8.375  -3.419   0.763
  405    HA   ASP  53           HA       ASP  53  -6.667  -1.846   2.499
  406   1HB   ASP  53          HB2       ASP  53  -8.765  -2.738   3.414
  407   2HB   ASP  53          HB3       ASP  53  -8.215  -4.403   3.104
  408    H    ALA  54           H        ALA  54  -4.747  -2.359   3.433
  409    HA   ALA  54           HA       ALA  54  -4.180  -5.228   3.655
  410   1HB   ALA  54          HB1       ALA  54  -2.049  -5.295   2.873
  411   2HB   ALA  54          HB2       ALA  54  -2.748  -4.160   1.696
  412   3HB   ALA  54          HB3       ALA  54  -1.772  -3.545   3.028
  413    H    THR  55           H        THR  55  -5.121  -2.789   5.343
  414    HA   THR  55           HA       THR  55  -3.034  -2.064   7.081
  415    HB   THR  55           HB       THR  55  -5.985  -2.343   7.856
  416    HG1  THR  55           HG1      THR  55  -5.945  -1.162   6.001
  417   1HG2  THR  55          HG21      THR  55  -3.720  -0.490   8.724
  418   2HG2  THR  55          HG22      THR  55  -5.408  -0.370   9.284
  419   3HG2  THR  55          HG23      THR  55  -4.431  -1.787   9.708
  420    H    GLU  56           H        GLU  56  -5.489  -4.729   7.274
  421    HA   GLU  56           HA       GLU  56  -4.684  -5.657   9.833
  422   1HB   GLU  56          HB2       GLU  56  -6.116  -7.114   7.547
  423   2HB   GLU  56          HB3       GLU  56  -5.985  -7.655   9.227
  424   1HG   GLU  56          HG2       GLU  56  -7.127  -5.502   9.932
  425   2HG   GLU  56          HG3       GLU  56  -7.418  -5.156   8.215
  426    H    ASN  57           H        ASN  57  -4.029  -6.892   6.518
  427    HA   ASN  57           HA       ASN  57  -2.262  -8.906   7.234
  428   1HB   ASN  57          HB2       ASN  57  -3.330  -8.321   4.978
  429   2HB   ASN  57          HB3       ASN  57  -1.932  -7.277   4.689
  430   1HD2  ASN  57          HD21      ASN  57  -2.759  -9.706   3.172
  431   2HD2  ASN  57          HD22      ASN  57  -1.446 -10.849   3.388
  432    H    PHE  58           H        PHE  58  -1.499  -5.472   6.628
  433    HA   PHE  58           HA       PHE  58   1.313  -5.604   6.882
  434   1HB   PHE  58          HB2       PHE  58   0.068  -3.707   5.959
  435   2HB   PHE  58          HB3       PHE  58  -0.641  -3.372   7.532
  436    HD1  PHE  58           HD1      PHE  58   0.248  -1.468   8.558
  437    HD2  PHE  58           HD2      PHE  58   2.791  -3.857   6.025
  438    HE1  PHE  58           HE1      PHE  58   1.993   0.279   8.639
  439    HE2  PHE  58           HE2      PHE  58   4.587  -2.162   6.232
  440    HZ   PHE  58           HZ       PHE  58   4.222  -0.117   7.587
  441    H    GLU  59           H        GLU  59  -1.187  -4.868   9.405
  442    HA   GLU  59           HA       GLU  59   0.774  -4.539  11.463
  443   1HB   GLU  59          HB2       GLU  59  -1.678  -3.686  11.375
  444   2HB   GLU  59          HB3       GLU  59  -2.158  -5.295  11.896
  445   1HG   GLU  59          HG2       GLU  59  -1.988  -3.909  13.866
  446   2HG   GLU  59          HG3       GLU  59  -0.612  -5.020  13.916
  447    H    ASP  60           H        ASP  60  -1.458  -7.074  10.703
  448    HA   ASP  60           HA       ASP  60  -1.030  -9.227  12.322
  449   1HB   ASP  60          HB2       ASP  60  -2.607  -9.181  10.378
  450   2HB   ASP  60          HB3       ASP  60  -1.233  -9.139   9.295
  451    H    HIS  61           H        HIS  61   0.923  -8.563   9.361
  452    HA   HIS  61           HA       HIS  61   2.957 -10.499  10.057
  453   1HB   HIS  61          HB2       HIS  61   2.662  -8.349   7.961
  454   2HB   HIS  61          HB3       HIS  61   4.163  -9.257   8.129
  455    HD1  HIS  61           HD1      HIS  61   0.583 -10.871   8.294
  456    HD2  HIS  61           HD2      HIS  61   4.234 -10.841   6.190
  457    HE1  HIS  61           HE1      HIS  61   0.417 -12.667   6.529
  458    H    GLY  62           H        GLY  62   2.443  -7.823  11.815
  459   1HA   GLY  62          HA1       GLY  62   3.683  -6.679  13.309
  460   2HA   GLY  62          HA2       GLY  62   4.876  -7.976  13.145
  461    H    HIS  63           HN       HIS  63   3.817  -5.593  10.655
  462    HA   HIS  63           HA       HIS  63   6.470  -5.202   9.807
  463   1HB   HIS  63          HB2       HIS  63   3.911  -3.711   9.273
  464   2HB   HIS  63          HB3       HIS  63   5.460  -3.098   8.680
  465    HD1  HIS  63           HD1      HIS  63   3.226  -6.189   8.240
  466    HD2  HIS  63           HD2      HIS  63   6.590  -4.242   6.653
  467    HE1  HIS  63           HE1      HIS  63   3.660  -7.252   5.963
  468    H    SER  64           H        SER  64   8.076  -4.029  10.378
  469    HA   SER  64           HA       SER  64   7.971  -2.962  13.036
  470   1HB   SER  64          HB2       SER  64   9.734  -4.505  12.001
  471   2HB   SER  64          HB3       SER  64  10.367  -3.084  11.160
  472    HG   SER  64           HG       SER  64  10.258  -3.639  13.934
  473    H    THR  65           H        THR  65   9.937  -1.145  13.236
  474    HA   THR  65           HA       THR  65   8.481   1.290  12.963
  475    HB   THR  65           HB       THR  65  10.930   2.195  13.532
  476    HG1  THR  65           HG1      THR  65  12.251   0.478  12.995
  477   1HG2  THR  65          HG21      THR  65   9.153   1.892  15.228
  478   2HG2  THR  65          HG22      THR  65   9.555   0.162  15.351
  479   3HG2  THR  65          HG23      THR  65  10.735   1.389  15.857
  480    H    ASP  66           H        ASP  66  11.548   0.382  11.293
  481    HA   ASP  66           HA       ASP  66  11.553   2.599   9.627
  482   1HB   ASP  66          HB2       ASP  66  12.763  -0.169   9.134
  483   2HB   ASP  66          HB3       ASP  66  13.330   1.374   8.477
  484    H    ALA  67           H        ALA  67   9.846  -0.460   9.199
  485    HA   ALA  67           HA       ALA  67   9.111  -0.066   6.447
  486   1HB   ALA  67          HB1       ALA  67   9.033  -2.303   7.489
  487   2HB   ALA  67          HB2       ALA  67   7.809  -1.746   8.642
  488   3HB   ALA  67          HB3       ALA  67   7.422  -1.820   6.919
  489    H    ARG  68           H        ARG  68   7.754   0.665   9.657
  490    HA   ARG  68           HA       ARG  68   5.384   1.994   8.873
  491   1HB   ARG  68          HB2       ARG  68   6.833   1.465  11.295
  492   2HB   ARG  68          HB3       ARG  68   6.607   3.195  11.258
  493   1HG   ARG  68          HG2       ARG  68   4.686   2.353  12.340
  494   2HG   ARG  68          HG3       ARG  68   4.119   2.581  10.679
  495   1HD   ARG  68          HD2       ARG  68   5.032   0.037  10.432
  496   2HD   ARG  68          HD3       ARG  68   4.872   0.049  12.182
  497    HE   ARG  68           HE       ARG  68   2.533   1.050  10.714
  498   1HH1  ARG  68          HH22      ARG  68   3.937  -1.992  12.055
  499   2HH1  ARG  68          HH21      ARG  68   2.359  -2.482  12.673
  500   1HH2  ARG  68          HH11      ARG  68   0.479   0.081  11.098
  501   2HH2  ARG  68          HH12      ARG  68   0.448  -1.242  12.208
  502    H    GLU  69           H        GLU  69   8.618   3.438   9.618
  503    HA   GLU  69           HA       GLU  69   8.168   6.070   8.814
  504   1HB   GLU  69          HB2       GLU  69  10.658   4.336   8.400
  505   2HB   GLU  69          HB3       GLU  69  10.636   6.073   8.368
  506   1HG   GLU  69          HG2       GLU  69  10.168   4.312  10.789
  507   2HG   GLU  69          HG3       GLU  69  11.467   5.440  10.466
  508    H    LEU  70           H        LEU  70   9.287   3.343   6.794
  509    HA   LEU  70           HA       LEU  70   9.146   4.709   4.377
  510   1HB   LEU  70          HB2       LEU  70   9.337   1.875   5.139
  511   2HB   LEU  70          HB3       LEU  70   8.204   2.025   3.872
  512    HG   LEU  70           HG       LEU  70  10.187   1.662   2.755
  513   1HD1  LEU  70          HD11      LEU  70  10.563   4.660   2.740
  514   2HD1  LEU  70          HD12      LEU  70  10.585   3.507   1.402
  515   3HD1  LEU  70          HD13      LEU  70   9.039   3.988   2.148
  516   1HD2  LEU  70          HD21      LEU  70  11.638   1.775   4.694
  517   2HD2  LEU  70          HD22      LEU  70  12.354   2.690   3.350
  518   3HD2  LEU  70          HD23      LEU  70  11.567   3.555   4.693
  519    H    SER  71           H        SER  71   6.455   3.136   6.136
  520    HA   SER  71           HA       SER  71   4.590   3.439   3.977
  521   1HB   SER  71          HB2       SER  71   3.020   2.530   5.368
  522   2HB   SER  71          HB3       SER  71   4.486   1.919   6.121
  523    HG   SER  71           HG       SER  71   2.930   2.841   7.587
  524    H    LYS  72           H        LYS  72   5.580   5.557   6.614
  525    HA   LYS  72           HA       LYS  72   3.633   7.622   6.163
  526   1HB   LYS  72          HB2       LYS  72   6.551   8.140   6.883
  527   2HB   LYS  72          HB3       LYS  72   5.161   9.182   7.175
  528   1HG   LYS  72          HG2       LYS  72   4.246   7.494   8.746
  529   2HG   LYS  72          HG3       LYS  72   5.654   6.468   8.444
  530   1HD   LYS  72          HD2       LYS  72   7.144   8.381   9.126
  531   2HD   LYS  72          HD3       LYS  72   5.705   9.242   9.708
  532   1HE   LYS  72          HE2       LYS  72   5.287   7.467  11.377
  533   2HE   LYS  72          HE3       LYS  72   6.499   6.430  10.607
  534   1HZ   LYS  72          HZ1       LYS  72   8.146   8.165  11.131
  535   2HZ   LYS  72          HZ2       LYS  72   7.078   8.787  12.254
  536   3HZ   LYS  72          HZ3       LYS  72   7.687   7.216  12.279
  537    H    THR  73           H        THR  73   6.855   7.088   4.912
  538    HA   THR  73           HA       THR  73   7.082   9.207   3.070
  539    HB   THR  73           HB       THR  73   8.343   6.452   2.720
  540    HG1  THR  73           HG1      THR  73   8.696   7.103   4.863
  541   1HG2  THR  73          HG21      THR  73   9.356   9.232   2.062
  542   2HG2  THR  73          HG22      THR  73  10.235   7.699   1.859
  543   3HG2  THR  73          HG23      THR  73   8.786   8.020   0.888
  544    H    PHE  74           H        PHE  74   5.560   6.017   2.712
  545    HA   PHE  74           HA       PHE  74   5.040   6.322  -0.144
  546   1HB   PHE  74          HB2       PHE  74   4.004   4.369   1.923
  547   2HB   PHE  74          HB3       PHE  74   3.793   4.201   0.199
  548    HD1  PHE  74           HD1      PHE  74   6.744   5.021  -0.589
  549    HD2  PHE  74           HD2      PHE  74   4.971   2.168   2.109
  550    HE1  PHE  74           HE1      PHE  74   8.756   3.599  -0.755
  551    HE2  PHE  74           HE2      PHE  74   6.813   0.595   1.586
  552    HZ   PHE  74           HZ       PHE  74   8.881   1.481   0.589
  553    H    ILE  75           H        ILE  75   3.396   7.540   2.652
  554    HA   ILE  75           HA       ILE  75   0.741   7.273   1.761
  555    HB   ILE  75           HB       ILE  75   2.033   9.458   3.390
  556   1HG1  ILE  75          HG12      ILE  75  -0.158   7.427   4.032
  557   2HG1  ILE  75          HG13      ILE  75   1.528   7.029   4.103
  558   1HG2  ILE  75          HG21      ILE  75   0.190  10.622   2.258
  559   2HG2  ILE  75          HG22      ILE  75  -0.917   9.276   2.620
  560   3HG2  ILE  75          HG23      ILE  75  -0.268  10.294   3.919
  561   1HD1  ILE  75          HD11      ILE  75   0.098   9.126   5.798
  562   2HD1  ILE  75          HD12      ILE  75   0.842   7.614   6.345
  563   3HD1  ILE  75          HD13      ILE  75   1.858   8.949   5.753
  564    H    ILE  76           H        ILE  76  -0.470   8.056   0.220
  565    HA   ILE  76           HA       ILE  76   0.449  10.403  -1.425
  566    HB   ILE  76           HB       ILE  76  -0.593   9.068  -3.351
  567   1HG1  ILE  76          HG12      ILE  76  -0.012   6.662  -1.589
  568   2HG1  ILE  76          HG13      ILE  76  -1.623   7.396  -1.599
  569   1HG2  ILE  76          HG21      ILE  76   1.474   7.893  -3.830
  570   2HG2  ILE  76          HG22      ILE  76   1.827   9.454  -3.088
  571   3HG2  ILE  76          HG23      ILE  76   1.963   7.974  -2.128
  572   1HD1  ILE  76          HD11      ILE  76  -2.178   6.553  -3.593
  573   2HD1  ILE  76          HD12      ILE  76  -0.556   6.777  -4.284
  574   3HD1  ILE  76          HD13      ILE  76  -0.916   5.388  -3.217
  575    H    GLY  77           H        GLY  77  -2.095   9.181   0.523
  576   1HA   GLY  77          HA1       GLY  77  -4.241  10.961  -0.434
  577   2HA   GLY  77          HA2       GLY  77  -4.260   9.369  -1.176
  578    H    GLU  78           H        GLU  78  -6.414   9.671   0.165
  579    HA   GLU  78           HA       GLU  78  -6.012   7.703   2.225
  580   1HB   GLU  78          HB2       GLU  78  -8.008   9.995   2.600
  581   2HB   GLU  78          HB3       GLU  78  -7.521   8.822   3.834
  582   1HG   GLU  78          HG2       GLU  78  -5.238  10.096   3.790
  583   2HG   GLU  78          HG3       GLU  78  -6.073  11.297   2.812
  584    H    LEU  79           H        LEU  79  -7.952   6.473   2.536
  585    HA   LEU  79           HA       LEU  79  -9.685   6.120   0.240
  586   1HB   LEU  79          HB2       LEU  79  -9.241   4.333   1.942
  587   2HB   LEU  79          HB3       LEU  79 -10.006   5.349   3.170
  588    HG   LEU  79           HG       LEU  79 -12.131   5.314   1.735
  589   1HD1  LEU  79          HD11      LEU  79 -10.534   3.182   0.268
  590   2HD1  LEU  79          HD12      LEU  79 -12.297   3.285   0.234
  591   3HD1  LEU  79          HD13      LEU  79 -11.329   4.618  -0.417
  592   1HD2  LEU  79          HD21      LEU  79 -11.235   2.630   2.787
  593   2HD2  LEU  79          HD22      LEU  79 -11.862   3.982   3.768
  594   3HD2  LEU  79          HD23      LEU  79 -12.905   3.234   2.553
  595    H    HIS  80           H        HIS  80 -11.334   7.397  -0.347
  596    HA   HIS  80           HA       HIS  80 -12.020   9.684   0.862
  597   1HB   HIS  80          HB2       HIS  80 -12.559   8.854  -1.422
  598   2HB   HIS  80          HB3       HIS  80 -13.938   7.984  -0.775
  599    HD1  HIS  80           HD1      HIS  80 -16.103   9.593  -1.028
  600    HD2  HIS  80           HD2      HIS  80 -12.402  11.490  -0.499
  601    HE1  HIS  80           HE1      HIS  80 -16.592  12.106  -0.981
  602    HA   PRO  81           HA       PRO  81 -14.489   8.570   4.219
  603   1HB   PRO  81          HB2       PRO  81 -16.184  11.098   3.800
  604   2HB   PRO  81          HB3       PRO  81 -15.454  10.552   5.315
  605   1HG   PRO  81          HG2       PRO  81 -14.305  12.559   3.825
  606   2HG   PRO  81          HG3       PRO  81 -13.234  11.260   4.452
  607   1HD   PRO  81          HD2       PRO  81 -14.576  11.448   1.746
  608   2HD   PRO  81          HD3       PRO  81 -12.841  11.219   2.099
  609    H    ASP  82           H        ASP  82 -16.419   9.722   1.516
  610    HA   ASP  82           HA       ASP  82 -18.857   8.680   2.499
  611   1HB   ASP  82          HB2       ASP  82 -18.468  10.418   0.651
  612   2HB   ASP  82          HB3       ASP  82 -18.022   9.055  -0.408
  613    H    ASP  83           H        ASP  83 -16.121   7.059   1.648
  614    HA   ASP  83           HA       ASP  83 -16.920   5.069  -0.183
  615   1HB   ASP  83          HB2       ASP  83 -14.675   6.489   0.594
  616   2HB   ASP  83          HB3       ASP  83 -14.364   5.001   1.415
  617    H    ARG  84           H        ARG  84 -16.319   5.211   3.310
  618    HA   ARG  84           HA       ARG  84 -15.943   2.347   3.620
  619   1HB   ARG  84          HB2       ARG  84 -16.537   4.142   5.921
  620   2HB   ARG  84          HB3       ARG  84 -15.518   2.740   5.873
  621   1HG   ARG  84          HG2       ARG  84 -13.654   3.906   5.312
  622   2HG   ARG  84          HG3       ARG  84 -14.463   4.996   4.200
  623   1HD   ARG  84          HD2       ARG  84 -14.505   5.187   7.231
  624   2HD   ARG  84          HD3       ARG  84 -13.651   6.247   6.109
  625    HE   ARG  84           HE       ARG  84 -15.796   6.966   5.146
  626   1HH1  ARG  84          HH22      ARG  84 -16.086   5.562   8.393
  627   2HH1  ARG  84          HH21      ARG  84 -17.764   5.986   8.535
  628   1HH2  ARG  84          HH11      ARG  84 -17.863   7.457   5.302
  629   2HH2  ARG  84          HH12      ARG  84 -18.843   7.101   6.706
  630    HHA  HEM 201           HGM      HEM 201   9.251  -8.859   5.796
  631    HHB  HEM 201           HDM      HEM 201   8.924  -2.563   4.544
  632    HHC  HEM 201           HAM      HEM 201   2.699  -3.243   3.147
  633    HHD  HEM 201           HBM      HEM 201   3.385  -9.694   3.261
  634   1HMA  HEM 201          HM81      HEM 201  10.949  -3.398   6.554
  635   2HMA  HEM 201          HM82      HEM 201  12.061  -4.423   5.631
  636   3HMA  HEM 201          HM83      HEM 201  11.126  -3.189   4.795
  637   1HAA  HEM 201          HP71      HEM 201  11.043  -7.856   6.704
  638   2HAA  HEM 201          HP72      HEM 201  11.794  -6.213   6.969
  639   1HBA  HEM 201          HP73      HEM 201  10.855  -7.191   9.031
  640   2HBA  HEM 201          HP74      HEM 201   9.192  -7.145   8.253
  641   1HMB  HEM 201          HM11      HEM 201   7.609  -0.512   4.916
  642   2HMB  HEM 201          HM12      HEM 201   8.077  -0.537   3.216
  643   3HMB  HEM 201          HM13      HEM 201   6.617   0.319   3.746
  644    HAB  HEM 201          HT2A      HEM 201   3.465  -1.283   2.163
  645   1HBB  HEM 201          HV2C      HEM 201   4.574   0.629   4.205
  646   2HBB  HEM 201          HV2T      HEM 201   2.934   0.697   3.276
  647   1HMC  HEM 201          HM31      HEM 201   0.761  -4.099   2.689
  648   2HMC  HEM 201          HM32      HEM 201   0.066  -5.617   2.099
  649   3HMC  HEM 201          HM33      HEM 201   0.102  -5.272   3.850
  650    HAC  HEM 201          HT4A      HEM 201   0.990  -9.050   3.604
  651   1HBC  HEM 201          HV4C      HEM 201   0.527  -7.770   0.873
  652   2HBC  HEM 201          HV4T      HEM 201   0.038  -9.478   1.443
  653   1HMD  HEM 201          HM51      HEM 201   4.182 -11.685   3.767
  654   2HMD  HEM 201          HM52      HEM 201   5.678 -12.136   2.930
  655   3HMD  HEM 201          HM53      HEM 201   5.487 -12.451   4.666
  656   1HAD  HEM 201          HP61      HEM 201   7.834 -12.245   4.645
  657   2HAD  HEM 201          HP62      HEM 201   9.117 -10.961   4.816
  658   1HBD  HEM 201          HP63      HEM 201   8.227 -10.581   7.173
  659   2HBD  HEM 201          HP64      HEM 201   7.245 -12.111   6.926
  Start of MODEL   14
    1   1H    ALA   3          H1        ALA   3  -9.998  18.451  -0.432
    2   2H    ALA   3          H2        ALA   3 -10.312  17.112   0.434
    3   3H    ALA   3          H3        ALA   3 -11.106  18.540   0.806
    4    HA   ALA   3           HA       ALA   3  -8.729  19.387   1.229
    5   1HB   ALA   3          HB1       ALA   3 -10.359  19.037   3.071
    6   2HB   ALA   3          HB2       ALA   3  -9.974  17.301   3.088
    7   3HB   ALA   3          HB3       ALA   3  -8.739  18.492   3.542
    8    H    VAL   4           H        VAL   4  -6.596  18.347   2.120
    9    HA   VAL   4           HA       VAL   4  -4.801  17.075   1.635
   10    HB   VAL   4           HB       VAL   4  -6.662  14.631   1.495
   11   1HG1  VAL   4          HG11      VAL   4  -4.695  13.529   2.502
   12   2HG1  VAL   4          HG12      VAL   4  -4.172  14.328   1.014
   13   3HG1  VAL   4          HG13      VAL   4  -3.832  15.070   2.588
   14   1HG2  VAL   4          HG21      VAL   4  -6.464  14.426   3.871
   15   2HG2  VAL   4          HG22      VAL   4  -5.804  16.089   3.957
   16   3HG2  VAL   4          HG23      VAL   4  -7.454  15.785   3.336
   17    H    LYS   5           H        LYS   5  -5.874  14.527  -0.262
   18    HA   LYS   5           HA       LYS   5  -7.078  16.245  -2.247
   19   1HB   LYS   5          HB2       LYS   5  -5.775  13.588  -3.013
   20   2HB   LYS   5          HB3       LYS   5  -6.533  14.747  -4.102
   21   1HG   LYS   5          HG2       LYS   5  -4.625  16.291  -3.804
   22   2HG   LYS   5          HG3       LYS   5  -3.913  15.199  -2.592
   23   1HD   LYS   5          HD2       LYS   5  -3.976  13.347  -4.281
   24   2HD   LYS   5          HD3       LYS   5  -4.484  14.515  -5.516
   25   1HE   LYS   5          HE2       LYS   5  -2.318  15.708  -5.245
   26   2HE   LYS   5          HE3       LYS   5  -1.877  14.617  -3.915
   27   1HZ   LYS   5          HZ1       LYS   5  -2.006  12.774  -5.483
   28   2HZ   LYS   5          HZ2       LYS   5  -2.282  13.817  -6.722
   29   3HZ   LYS   5          HZ3       LYS   5  -0.852  13.871  -5.909
   30    H    TYR   6           H        TYR   6  -6.550  13.041  -0.967
   31    HA   TYR   6           HA       TYR   6  -7.750  11.227  -0.588
   32   1HB   TYR   6          HB2       TYR   6 -10.333  12.899  -0.884
   33   2HB   TYR   6          HB3       TYR   6 -10.168  11.174  -0.790
   34    HD1  TYR   6           HD1      TYR   6  -9.903   9.980   1.108
   35    HD2  TYR   6           HD2      TYR   6  -9.522  14.250   1.228
   36    HE1  TYR   6           HE1      TYR   6  -9.660   9.841   3.461
   37    HE2  TYR   6           HE2      TYR   6  -9.440  14.152   3.714
   38    HH   TYR   6           HH       TYR   6  -8.561  11.535   5.272
   39    H    TYR   7           H        TYR   7  -8.556   9.657  -1.581
   40    HA   TYR   7           HA       TYR   7  -8.555   9.572  -4.518
   41   1HB   TYR   7          HB2       TYR   7  -6.817   8.702  -2.261
   42   2HB   TYR   7          HB3       TYR   7  -7.192   7.427  -3.206
   43    HD1  TYR   7           HD1      TYR   7  -4.543   7.632  -3.109
   44    HD2  TYR   7           HD2      TYR   7  -6.896  10.563  -5.247
   45    HE1  TYR   7           HE1      TYR   7  -2.506   8.868  -3.733
   46    HE2  TYR   7           HE2      TYR   7  -4.880  11.741  -5.865
   47    HH   TYR   7           HH       TYR   7  -1.921  11.046  -4.069
   48    H    THR   8           H        THR   8 -10.010   8.292  -5.304
   49    HA   THR   8           HA       THR   8 -12.142   7.414  -3.522
   50    HB   THR   8           HB       THR   8 -13.216   6.936  -5.816
   51    HG1  THR   8           HG1      THR   8 -11.966   7.951  -7.546
   52   1HG2  THR   8          HG21      THR   8 -13.492   9.323  -6.357
   53   2HG2  THR   8          HG22      THR   8 -13.547   9.085  -4.600
   54   3HG2  THR   8          HG23      THR   8 -12.081   9.740  -5.363
   55    H    LEU   9           H        LEU   9 -12.921   5.172  -3.424
   56    HA   LEU   9           HA       LEU   9 -11.070   3.061  -3.667
   57   1HB   LEU   9          HB2       LEU   9 -12.804   2.679  -2.390
   58   2HB   LEU   9          HB3       LEU   9 -14.064   3.200  -3.515
   59    HG   LEU   9           HG       LEU   9 -12.351   0.712  -3.998
   60   1HD1  LEU   9          HD11      LEU   9 -14.095  -0.615  -2.859
   61   2HD1  LEU   9          HD12      LEU   9 -13.303   0.505  -1.739
   62   3HD1  LEU   9          HD13      LEU   9 -14.918   0.882  -2.370
   63   1HD2  LEU   9          HD21      LEU   9 -13.786   1.351  -5.930
   64   2HD2  LEU   9          HD22      LEU   9 -14.455  -0.073  -5.148
   65   3HD2  LEU   9          HD23      LEU   9 -15.186   1.512  -4.851
   66    H    GLU  10           H        GLU  10 -13.372   4.364  -6.023
   67    HA   GLU  10           HA       GLU  10 -13.060   2.857  -8.249
   68   1HB   GLU  10          HB2       GLU  10 -14.327   5.005  -8.051
   69   2HB   GLU  10          HB3       GLU  10 -12.820   5.904  -8.145
   70   1HG   GLU  10          HG2       GLU  10 -13.931   5.920 -10.301
   71   2HG   GLU  10          HG3       GLU  10 -12.410   5.034 -10.430
   72    H    GLU  11           H        GLU  11 -10.750   5.463  -7.301
   73    HA   GLU  11           HA       GLU  11  -8.807   4.669  -9.332
   74   1HB   GLU  11          HB2       GLU  11  -8.724   6.404  -6.790
   75   2HB   GLU  11          HB3       GLU  11  -7.240   6.006  -7.636
   76   1HG   GLU  11          HG2       GLU  11  -9.532   7.406  -9.031
   77   2HG   GLU  11          HG3       GLU  11  -8.284   8.245  -8.097
   78    H    ILE  12           H        ILE  12  -9.037   4.198  -5.798
   79    HA   ILE  12           HA       ILE  12  -6.517   3.139  -5.520
   80    HB   ILE  12           HB       ILE  12  -8.991   2.562  -3.861
   81   1HG1  ILE  12          HG12      ILE  12  -6.665   4.345  -3.066
   82   2HG1  ILE  12          HG13      ILE  12  -7.895   5.004  -4.139
   83   1HG2  ILE  12          HG21      ILE  12  -7.351   2.022  -2.030
   84   2HG2  ILE  12          HG22      ILE  12  -7.451   0.829  -3.325
   85   3HG2  ILE  12          HG23      ILE  12  -6.082   1.975  -3.269
   86   1HD1  ILE  12          HD11      ILE  12  -8.365   3.888  -1.340
   87   2HD1  ILE  12          HD12      ILE  12  -8.373   5.579  -1.870
   88   3HD1  ILE  12          HD13      ILE  12  -9.633   4.474  -2.440
   89    H    GLN  13           H        GLU  13  -9.483   1.322  -6.306
   90    HA   GLN  13           HA       GLU  13  -8.423  -1.326  -6.125
   91   1HB   GLN  13          HB2       GLU  13 -10.229   0.000  -8.233
   92   2HB   GLN  13          HB3       GLU  13  -9.983  -1.749  -8.169
   93   1HG   GLN  13          HG2       GLU  13 -11.261  -1.881  -6.115
   94   2HG   GLN  13          HG3       GLU  13 -11.462  -0.121  -6.090
   95    H    LYS  14           H        LYS  14  -8.341   1.115  -8.552
   96    HA   LYS  14           HA       LYS  14  -7.605  -0.486 -10.819
   97   1HB   LYS  14          HB2       LYS  14  -9.047   1.768 -10.240
   98   2HB   LYS  14          HB3       LYS  14  -7.571   2.539 -10.675
   99   1HG   LYS  14          HG2       LYS  14  -9.082   2.507 -12.503
  100   2HG   LYS  14          HG3       LYS  14  -7.878   1.264 -12.911
  101   1HD   LYS  14          HD2       LYS  14  -9.833   0.162 -13.426
  102   2HD   LYS  14          HD3       LYS  14  -9.621  -0.432 -11.788
  103   1HE   LYS  14          HE2       LYS  14 -11.399   1.959 -12.508
  104   2HE   LYS  14          HE3       LYS  14 -11.975   0.296 -12.581
  105   1HZ   LYS  14          HZ1       LYS  14 -11.040   1.587 -10.099
  106   2HZ   LYS  14          HZ2       LYS  14 -12.551   1.500 -10.610
  107   3HZ   LYS  14          HZ3       LYS  14 -11.800   0.116 -10.182
  108    H    HIS  15           H        HIS  15  -6.104   1.745  -8.560
  109    HA   HIS  15           HA       HIS  15  -3.412   1.632  -9.651
  110   1HB   HIS  15          HB2       HIS  15  -4.713   2.643  -7.108
  111   2HB   HIS  15          HB3       HIS  15  -2.970   2.399  -7.268
  112    HD1  HIS  15           HD1      HIS  15  -1.597   3.880  -8.798
  113    HD2  HIS  15           HD2      HIS  15  -5.705   4.694  -8.749
  114    HE1  HIS  15           HE1      HIS  15  -1.926   6.124 -10.064
  115    H    ASN  16           H        ASN  16  -3.834  -0.728  -9.940
  116    HA   ASN  16           HA       ASN  16  -2.156  -2.037  -7.843
  117   1HB   ASN  16          HB2       ASN  16  -3.336  -4.053  -7.845
  118   2HB   ASN  16          HB3       ASN  16  -4.594  -2.833  -7.753
  119   1HD2  ASN  16          HD21      ASN  16  -6.139  -2.765  -9.416
  120   2HD2  ASN  16          HD22      ASN  16  -6.089  -3.812 -10.832
  121    H    ASN  17           H        ASN  17  -2.093  -0.921 -10.884
  122    HA   ASN  17           HA       ASN  17   0.123  -2.607 -11.607
  123   1HB   ASN  17          HB2       ASN  17  -1.957  -3.944 -12.312
  124   2HB   ASN  17          HB3       ASN  17  -2.195  -2.794 -13.595
  125   1HD2  ASN  17          HD21      ASN  17  -0.035  -2.481 -15.103
  126   2HD2  ASN  17          HD22      ASN  17   0.901  -3.942 -15.276
  127    H    SER  18           H        SER  18  -1.793  -1.004 -14.175
  128    HA   SER  18           HA       SER  18   0.748   0.321 -14.855
  129   1HB   SER  18          HB2       SER  18  -1.813   0.067 -16.487
  130   2HB   SER  18          HB3       SER  18  -0.203   0.547 -17.054
  131    HG   SER  18           HG       SER  18  -0.542  -1.656 -17.465
  132    H    LYS  19           H        LYS  19   0.060   1.576 -12.830
  133    HA   LYS  19           HA       LYS  19  -1.309   4.128 -13.461
  134   1HB   LYS  19          HB2       LYS  19  -2.390   1.853 -11.749
  135   2HB   LYS  19          HB3       LYS  19  -2.800   3.495 -11.358
  136   1HG   LYS  19          HG2       LYS  19  -3.501   2.087 -13.931
  137   2HG   LYS  19          HG3       LYS  19  -4.571   2.386 -12.585
  138   1HD   LYS  19          HD2       LYS  19  -3.323   4.470 -14.429
  139   2HD   LYS  19          HD3       LYS  19  -4.992   3.944 -14.428
  140   1HE   LYS  19          HE2       LYS  19  -3.603   5.565 -12.246
  141   2HE   LYS  19          HE3       LYS  19  -4.788   6.152 -13.403
  142   1HZ   LYS  19          HZ1       LYS  19  -6.448   4.716 -12.366
  143   2HZ   LYS  19          HZ2       LYS  19  -5.332   4.219 -11.255
  144   3HZ   LYS  19          HZ3       LYS  19  -5.856   5.745 -11.281
  145    H    SER  20           H        SER  20  -0.255   1.971 -10.868
  146    HA   SER  20           HA       SER  20   1.932   2.674  -9.689
  147   1HB   SER  20          HB2       SER  20   1.854   4.985  -9.504
  148   2HB   SER  20          HB3       SER  20   0.107   5.060  -9.293
  149    HG   SER  20           HG       SER  20   1.791   4.079  -7.259
  150    H    THR  21           H        THR  21   1.966   1.445  -7.727
  151    HA   THR  21           HA       THR  21  -0.497  -0.176  -7.428
  152    HB   THR  21           HB       THR  21   2.404  -0.688  -6.730
  153    HG1  THR  21           HG1      THR  21   1.876  -0.608  -8.949
  154   1HG2  THR  21          HG21      THR  21  -0.029  -2.540  -6.673
  155   2HG2  THR  21          HG22      THR  21   1.659  -3.044  -6.472
  156   3HG2  THR  21          HG23      THR  21   0.902  -2.012  -5.250
  157    H    TRP  22           H        TRP  22  -1.806   0.473  -5.865
  158    HA   TRP  22           HA       TRP  22  -0.844   2.026  -3.539
  159   1HB   TRP  22          HB2       TRP  22  -3.388   1.783  -5.124
  160   2HB   TRP  22          HB3       TRP  22  -3.431   2.503  -3.574
  161    HD1  TRP  22           HD1      TRP  22  -0.258   3.273  -5.527
  162    HE1  TRP  22           HE1      TRP  22  -0.320   5.445  -6.702
  163    HE3  TRP  22           HE3      TRP  22  -5.130   4.465  -4.613
  164    HZ2  TRP  22           HZ2      TRP  22  -2.300   7.566  -7.259
  165    HZ3  TRP  22           HZ3      TRP  22  -6.141   6.483  -5.646
  166    HH2  TRP  22           HH2      TRP  22  -4.740   8.017  -7.011
  167    H    LEU  23           H        LEU  23  -1.666   1.515  -1.386
  168    HA   LEU  23           HA       LEU  23  -3.734  -0.557  -1.200
  169   1HB   LEU  23          HB2       LEU  23  -1.963  -1.105   1.002
  170   2HB   LEU  23          HB3       LEU  23  -2.601  -2.157  -0.206
  171    HG   LEU  23           HG       LEU  23  -0.555  -1.258  -1.678
  172   1HD1  LEU  23          HD11      LEU  23   0.419  -1.060   1.192
  173   2HD1  LEU  23          HD12      LEU  23   1.326  -0.735  -0.310
  174   3HD1  LEU  23          HD13      LEU  23   0.003   0.332   0.159
  175   1HD2  LEU  23          HD21      LEU  23  -0.939  -3.622  -1.085
  176   2HD2  LEU  23          HD22      LEU  23   0.755  -3.172  -0.828
  177   3HD2  LEU  23          HD23      LEU  23  -0.347  -3.313   0.560
  178    H    ILE  24           H        ILE  24  -4.779  -0.530   0.976
  179    HA   ILE  24           HA       ILE  24  -4.504   2.152   2.256
  180    HB   ILE  24           HB       ILE  24  -6.739   0.182   2.796
  181   1HG1  ILE  24          HG12      ILE  24  -7.154   2.331   0.716
  182   2HG1  ILE  24          HG13      ILE  24  -6.658   0.695   0.264
  183   1HG2  ILE  24          HG21      ILE  24  -6.722   3.207   2.915
  184   2HG2  ILE  24          HG22      ILE  24  -7.975   2.119   3.538
  185   3HG2  ILE  24          HG23      ILE  24  -6.383   2.141   4.294
  186   1HD1  ILE  24          HD11      ILE  24  -9.149   1.210   1.896
  187   2HD1  ILE  24          HD12      ILE  24  -9.084   0.928   0.143
  188   3HD1  ILE  24          HD13      ILE  24  -8.561  -0.331   1.273
  189    H    LEU  25           H        LEU  25  -3.653   2.388   4.125
  190    HA   LEU  25           HA       LEU  25  -3.441   0.103   6.047
  191   1HB   LEU  25          HB2       LEU  25  -1.290   1.782   4.924
  192   2HB   LEU  25          HB3       LEU  25  -1.211   1.413   6.648
  193    HG   LEU  25           HG       LEU  25  -1.202  -0.993   6.095
  194   1HD1  LEU  25          HD11      LEU  25  -0.496  -1.557   3.686
  195   2HD1  LEU  25          HD12      LEU  25  -2.196  -1.270   4.012
  196   3HD1  LEU  25          HD13      LEU  25  -1.215   0.005   3.232
  197   1HD2  LEU  25          HD21      LEU  25   0.944   0.710   4.747
  198   2HD2  LEU  25          HD22      LEU  25   0.905   0.243   6.462
  199   3HD2  LEU  25          HD23      LEU  25   1.140  -0.990   5.209
  200    H    HIS  26           H        HIS  26  -5.140   0.924   7.273
  201    HA   HIS  26           HA       HIS  26  -6.191   2.209   8.828
  202   1HB   HIS  26          HB2       HIS  26  -3.804   4.063   9.065
  203   2HB   HIS  26          HB3       HIS  26  -5.021   3.664  10.265
  204    HD1  HIS  26           HD1      HIS  26  -4.595   1.297  11.594
  205    HD2  HIS  26           HD2      HIS  26  -1.668   2.583   8.856
  206    HE1  HIS  26           HE1      HIS  26  -2.476  -0.003  12.132
  207    H    TYR  27           H        TYR  27  -7.000   2.642   6.401
  208    HA   TYR  27           HA       TYR  27  -8.248   3.988   5.133
  209   1HB   TYR  27          HB2       TYR  27  -8.029   6.013   7.385
  210   2HB   TYR  27          HB3       TYR  27  -9.127   6.092   6.018
  211    HD1  TYR  27           HD1      TYR  27  -8.554   4.566   9.286
  212    HD2  TYR  27           HD2      TYR  27 -10.842   4.288   5.645
  213    HE1  TYR  27           HE1      TYR  27 -10.095   2.965  10.375
  214    HE2  TYR  27           HE2      TYR  27 -12.327   2.617   6.702
  215    HH   TYR  27           HH       TYR  27 -11.924   1.580  10.105
  216    H    LYS  28           H        LYS  28  -5.181   5.461   6.141
  217    HA   LYS  28           HA       LYS  28  -5.191   7.295   3.883
  218   1HB   LYS  28          HB2       LYS  28  -2.729   6.340   5.354
  219   2HB   LYS  28          HB3       LYS  28  -2.950   7.782   4.369
  220   1HG   LYS  28          HG2       LYS  28  -3.956   7.168   7.162
  221   2HG   LYS  28          HG3       LYS  28  -2.948   8.497   6.565
  222   1HD   LYS  28          HD2       LYS  28  -5.072   9.196   5.214
  223   2HD   LYS  28          HD3       LYS  28  -5.952   8.086   6.249
  224   1HE   LYS  28          HE2       LYS  28  -6.276  10.124   7.294
  225   2HE   LYS  28          HE3       LYS  28  -4.996   9.370   8.260
  226   1HZ   LYS  28          HZ1       LYS  28  -4.520  11.673   7.770
  227   2HZ   LYS  28          HZ2       LYS  28  -3.429  10.758   6.931
  228   3HZ   LYS  28          HZ3       LYS  28  -4.704  11.447   6.167
  229    H    VAL  29           H        VAL  29  -3.497   7.015   2.092
  230    HA   VAL  29           HA       VAL  29  -3.653   4.230   1.008
  231    HB   VAL  29           HB       VAL  29  -4.110   6.845  -0.438
  232   1HG1  VAL  29          HG11      VAL  29  -2.847   5.346  -1.901
  233   2HG1  VAL  29          HG12      VAL  29  -3.936   4.001  -1.504
  234   3HG1  VAL  29          HG13      VAL  29  -4.542   5.412  -2.396
  235   1HG2  VAL  29          HG21      VAL  29  -5.875   4.379  -0.191
  236   2HG2  VAL  29          HG22      VAL  29  -6.053   5.777   0.882
  237   3HG2  VAL  29          HG23      VAL  29  -6.293   5.968  -0.871
  238    H    TYR  30           H        TYR  30  -1.883   3.430   0.042
  239    HA   TYR  30           HA       TYR  30   0.691   4.869   0.492
  240   1HB   TYR  30          HB2       TYR  30  -0.456   2.151   1.179
  241   2HB   TYR  30          HB3       TYR  30   1.250   2.389   1.240
  242    HD1  TYR  30           HD1      TYR  30   2.148   3.609   3.267
  243    HD2  TYR  30           HD2      TYR  30  -2.079   3.319   2.551
  244    HE1  TYR  30           HE1      TYR  30   1.655   4.464   5.583
  245    HE2  TYR  30           HE2      TYR  30  -2.517   4.256   4.759
  246    HH   TYR  30           HH       TYR  30  -1.636   4.340   6.844
  247    H    ASP  31           H        ASP  31   1.835   4.962  -1.456
  248    HA   ASP  31           HA       ASP  31   1.284   2.980  -3.624
  249   1HB   ASP  31          HB2       ASP  31   1.369   5.308  -4.477
  250   2HB   ASP  31          HB3       ASP  31   2.917   5.535  -3.606
  251    H    LEU  32           H        LEU  32   2.984   1.618  -4.200
  252    HA   LEU  32           HA       LEU  32   5.573   2.155  -2.814
  253   1HB   LEU  32          HB2       LEU  32   5.003  -0.720  -3.167
  254   2HB   LEU  32          HB3       LEU  32   5.889   0.175  -1.915
  255    HG   LEU  32           HG       LEU  32   2.896  -0.100  -2.029
  256   1HD1  LEU  32          HD11      LEU  32   3.287  -1.653  -0.120
  257   2HD1  LEU  32          HD12      LEU  32   4.273  -2.168  -1.488
  258   3HD1  LEU  32          HD13      LEU  32   5.016  -1.275  -0.141
  259   1HD2  LEU  32          HD21      LEU  32   4.632   1.642  -0.460
  260   2HD2  LEU  32          HD22      LEU  32   2.852   1.652  -0.626
  261   3HD2  LEU  32          HD23      LEU  32   3.605   0.614   0.565
  262    H    THR  33           H        THR  33   4.100   0.401  -5.518
  263    HA   THR  33           HA       THR  33   4.962  -0.418  -7.465
  264    HB   THR  33           HB       THR  33   5.613   2.572  -7.622
  265    HG1  THR  33           HG1      THR  33   3.541   2.441  -7.011
  266   1HG2  THR  33          HG21      THR  33   6.414   1.366  -9.636
  267   2HG2  THR  33          HG22      THR  33   4.848   0.537  -9.774
  268   3HG2  THR  33          HG23      THR  33   4.954   2.293 -10.005
  269    H    LYS  34           H        LYS  34   7.654   1.779  -6.479
  270    HA   LYS  34           HA       LYS  34   9.618   0.151  -7.939
  271   1HB   LYS  34          HB2       LYS  34  10.162   2.449  -7.639
  272   2HB   LYS  34          HB3       LYS  34   9.774   2.413  -5.908
  273   1HG   LYS  34          HG2       LYS  34  11.667   1.067  -5.384
  274   2HG   LYS  34          HG3       LYS  34  11.983   0.709  -7.096
  275   1HD   LYS  34          HD2       LYS  34  12.754   2.946  -7.518
  276   2HD   LYS  34          HD3       LYS  34  12.051   3.561  -6.015
  277   1HE   LYS  34          HE2       LYS  34  14.569   3.268  -5.905
  278   2HE   LYS  34          HE3       LYS  34  13.646   2.438  -4.641
  279   1HZ   LYS  34          HZ1       LYS  34  13.811   0.406  -5.874
  280   2HZ   LYS  34          HZ2       LYS  34  14.816   1.100  -7.005
  281   3HZ   LYS  34          HZ3       LYS  34  15.206   0.911  -5.391
  282    H    PHE  35           H        PHE  35   8.251   0.411  -4.670
  283    HA   PHE  35           HA       PHE  35  10.405  -0.992  -3.352
  284   1HB   PHE  35          HB2       PHE  35   8.473   0.615  -2.378
  285   2HB   PHE  35          HB3       PHE  35   7.581  -0.916  -2.310
  286    HD1  PHE  35           HD1      PHE  35   7.775  -2.266  -0.381
  287    HD2  PHE  35           HD2      PHE  35  10.917   0.536  -1.323
  288    HE1  PHE  35           HE1      PHE  35   8.942  -2.861   1.703
  289    HE2  PHE  35           HE2      PHE  35  12.059  -0.040   0.800
  290    HZ   PHE  35           HZ       PHE  35  11.079  -1.739   2.318
  291    H    LEU  36           H        LEU  36   7.562  -1.957  -5.033
  292    HA   LEU  36           HA       LEU  36   7.040  -4.600  -4.391
  293   1HB   LEU  36          HB2       LEU  36   7.495  -3.269  -7.103
  294   2HB   LEU  36          HB3       LEU  36   6.636  -4.740  -6.877
  295    HG   LEU  36           HG       LEU  36   5.685  -2.032  -6.072
  296   1HD1  LEU  36          HD11      LEU  36   5.306  -2.936  -8.392
  297   2HD1  LEU  36          HD12      LEU  36   4.527  -4.357  -7.680
  298   3HD1  LEU  36          HD13      LEU  36   3.777  -2.759  -7.506
  299   1HD2  LEU  36          HD21      LEU  36   4.591  -4.681  -5.098
  300   2HD2  LEU  36          HD22      LEU  36   5.174  -3.287  -4.146
  301   3HD2  LEU  36          HD23      LEU  36   3.689  -3.150  -5.087
  302    H    GLU  37           H        GLU  37   9.883  -3.308  -6.184
  303    HA   GLU  37           HA       GLU  37  11.188  -5.880  -6.478
  304   1HB   GLU  37          HB2       GLU  37  12.236  -3.008  -6.431
  305   2HB   GLU  37          HB3       GLU  37  13.229  -4.416  -6.779
  306   1HG   GLU  37          HG2       GLU  37  10.727  -3.824  -8.420
  307   2HG   GLU  37          HG3       GLU  37  12.273  -3.035  -8.747
  308    H    GLU  38           H        GLU  38  12.015  -3.091  -4.355
  309    HA   GLU  38           HA       GLU  38  13.612  -4.757  -2.630
  310   1HB   GLU  38          HB2       GLU  38  12.749  -1.848  -2.447
  311   2HB   GLU  38          HB3       GLU  38  13.950  -2.651  -1.425
  312   1HG   GLU  38          HG2       GLU  38  15.557  -2.384  -2.943
  313   2HG   GLU  38          HG3       GLU  38  14.627  -3.187  -4.208
  314    H    HIS  39           HN       HIS  39  11.226  -5.936  -2.408
  315    HA   HIS  39           HA       HIS  39  10.448  -5.348   0.429
  316   1HB   HIS  39          HB2       HIS  39   8.627  -4.690  -1.037
  317   2HB   HIS  39          HB3       HIS  39   8.627  -6.284  -1.805
  318    HD1  HIS  39           HD1      HIS  39   6.495  -7.489  -0.866
  319    HD2  HIS  39           HD2      HIS  39   8.580  -5.161   1.955
  320    HE1  HIS  39           HE1      HIS  39   5.253  -7.721   1.331
  321    HA   PRO  40           HA       PRO  40  12.113  -9.583   0.728
  322   1HB   PRO  40          HB2       PRO  40  10.764  -9.199   3.414
  323   2HB   PRO  40          HB3       PRO  40  12.298 -10.044   3.053
  324   1HG   PRO  40          HG2       PRO  40  12.415  -7.503   3.961
  325   2HG   PRO  40          HG3       PRO  40  13.386  -7.945   2.529
  326   1HD   PRO  40          HD2       PRO  40  10.694  -6.549   2.583
  327   2HD   PRO  40          HD3       PRO  40  12.171  -6.126   1.664
  328    H    GLY  41           H        GLY  41   8.770  -8.646   1.706
  329   1HA   GLY  41          HA1       GLY  41   7.575 -11.246   1.470
  330   2HA   GLY  41          HA2       GLY  41   6.768  -9.702   1.392
  331    H    GLY  42           H        GLY  42   8.822  -9.093  -0.996
  332   1HA   GLY  42          HA1       GLY  42   8.764  -9.181  -3.283
  333   2HA   GLY  42          HA2       GLY  42   7.812 -10.678  -3.186
  334    H    GLU  43           H        GLU  43   7.241  -9.020  -5.141
  335    HA   GLU  43           HA       GLU  43   5.327  -6.976  -4.590
  336   1HB   GLU  43          HB2       GLU  43   6.557  -6.880  -6.564
  337   2HB   GLU  43          HB3       GLU  43   6.152  -8.470  -7.106
  338   1HG   GLU  43          HG2       GLU  43   3.821  -7.983  -7.408
  339   2HG   GLU  43          HG3       GLU  43   4.074  -6.323  -6.842
  340    H    GLU  44           H        GLU  44   4.960 -10.405  -5.584
  341    HA   GLU  44           HA       GLU  44   2.300 -10.528  -6.071
  342   1HB   GLU  44          HB2       GLU  44   3.933 -12.638  -4.583
  343   2HB   GLU  44          HB3       GLU  44   2.388 -12.901  -5.404
  344   1HG   GLU  44          HG2       GLU  44   3.428 -12.155  -7.557
  345   2HG   GLU  44          HG3       GLU  44   4.999 -12.043  -6.742
  346    H    VAL  45           H        VAL  45   3.651 -11.103  -2.770
  347    HA   VAL  45           HA       VAL  45   1.128 -11.402  -1.562
  348    HB   VAL  45           HB       VAL  45   3.450 -12.032  -0.667
  349   1HG1  VAL  45          HG11      VAL  45   3.308  -9.255   0.597
  350   2HG1  VAL  45          HG12      VAL  45   4.537 -10.504   0.850
  351   3HG1  VAL  45          HG13      VAL  45   4.406  -9.699  -0.727
  352   1HG2  VAL  45          HG21      VAL  45   1.429 -10.790   1.237
  353   2HG2  VAL  45          HG22      VAL  45   1.360 -12.431   0.562
  354   3HG2  VAL  45          HG23      VAL  45   2.678 -11.977   1.656
  355    H    LEU  46           H        LEU  46   2.923  -8.443  -2.350
  356    HA   LEU  46           HA       LEU  46   1.251  -6.691  -0.714
  357   1HB   LEU  46          HB2       LEU  46   2.998  -6.113  -3.151
  358   2HB   LEU  46          HB3       LEU  46   2.193  -4.901  -2.175
  359    HG   LEU  46           HG       LEU  46   4.193  -6.866  -0.980
  360   1HD1  LEU  46          HD11      LEU  46   4.612  -4.155  -2.250
  361   2HD1  LEU  46          HD12      LEU  46   5.800  -4.878  -1.164
  362   3HD1  LEU  46          HD13      LEU  46   5.404  -5.673  -2.699
  363   1HD2  LEU  46          HD21      LEU  46   2.746  -5.728   0.628
  364   2HD2  LEU  46          HD22      LEU  46   4.381  -5.047   0.724
  365   3HD2  LEU  46          HD23      LEU  46   3.096  -4.150  -0.102
  366    H    ARG  47           H        ARG  47   1.367  -7.747  -4.127
  367    HA   ARG  47           HA       ARG  47  -0.738  -5.952  -4.862
  368   1HB   ARG  47          HB2       ARG  47   0.790  -8.098  -6.326
  369   2HB   ARG  47          HB3       ARG  47  -0.629  -7.310  -7.037
  370   1HG   ARG  47          HG2       ARG  47   0.469  -5.055  -6.487
  371   2HG   ARG  47          HG3       ARG  47   1.888  -5.959  -5.928
  372   1HD   ARG  47          HD2       ARG  47   2.370  -5.306  -8.177
  373   2HD   ARG  47          HD3       ARG  47   1.944  -7.034  -8.219
  374    HE   ARG  47           HE       ARG  47  -0.212  -5.058  -8.752
  375   1HH1  ARG  47          HH22      ARG  47   2.426  -6.850 -10.294
  376   2HH1  ARG  47          HH21      ARG  47   1.546  -7.103 -11.775
  377   1HH2  ARG  47          HH11      ARG  47  -1.287  -5.275 -10.600
  378   2HH2  ARG  47          HH12      ARG  47  -0.572  -6.013 -12.021
  379    H    GLU  48           H        GLU  48  -0.701  -9.326  -4.086
  380    HA   GLU  48           HA       GLU  48  -3.320 -10.183  -4.331
  381   1HB   GLU  48          HB2       GLU  48  -1.434 -11.394  -3.289
  382   2HB   GLU  48          HB3       GLU  48  -1.450 -10.238  -1.951
  383   1HG   GLU  48          HG2       GLU  48  -2.449 -12.370  -1.285
  384   2HG   GLU  48          HG3       GLU  48  -3.690 -11.120  -1.252
  385    H    GLN  49           H        GLN  49  -2.142  -7.546  -2.225
  386    HA   GLN  49           HA       GLN  49  -4.911  -7.115  -1.137
  387   1HB   GLN  49          HB2       GLN  49  -2.211  -6.210  -0.086
  388   2HB   GLN  49          HB3       GLN  49  -3.783  -6.007   0.678
  389   1HG   GLN  49          HG2       GLN  49  -2.415  -8.707   0.140
  390   2HG   GLN  49          HG3       GLN  49  -2.391  -7.815   1.655
  391   1HE2  GLN  49          HE21      GLN  49  -4.914  -9.158  -0.671
  392   2HE2  GLN  49          HE22      GLN  49  -5.929  -9.677   0.652
  393    H    ALA  50           H        ALA  50  -2.252  -5.653  -2.854
  394    HA   ALA  50           HA       ALA  50  -2.877  -2.973  -2.659
  395   1HB   ALA  50          HB1       ALA  50  -1.716  -2.598  -4.756
  396   2HB   ALA  50          HB2       ALA  50  -0.879  -3.884  -3.870
  397   3HB   ALA  50          HB3       ALA  50  -1.970  -4.264  -5.249
  398    H    GLY  51           H        GLY  51  -4.033  -1.472  -3.922
  399   1HA   GLY  51          HA1       GLY  51  -6.160  -0.739  -4.362
  400   2HA   GLY  51          HA2       GLY  51  -6.114  -1.842  -5.738
  401    H    GLY  52           H        GLY  52  -5.824  -2.057  -2.164
  402   1HA   GLY  52          HA1       GLY  52  -8.532  -2.094  -1.538
  403   2HA   GLY  52          HA2       GLY  52  -7.912  -3.777  -1.532
  404    H    ASP  53           H        ASP  53  -8.389  -3.458   0.675
  405    HA   ASP  53           HA       ASP  53  -6.707  -1.869   2.438
  406   1HB   ASP  53          HB2       ASP  53  -8.926  -2.489   3.259
  407   2HB   ASP  53          HB3       ASP  53  -8.529  -4.217   3.088
  408    H    ALA  54           H        ALA  54  -4.887  -2.378   3.433
  409    HA   ALA  54           HA       ALA  54  -4.137  -5.227   3.671
  410   1HB   ALA  54          HB1       ALA  54  -2.900  -4.204   1.651
  411   2HB   ALA  54          HB2       ALA  54  -2.003  -3.241   2.829
  412   3HB   ALA  54          HB3       ALA  54  -1.935  -5.017   2.893
  413    H    THR  55           H        THR  55  -5.184  -2.835   5.364
  414    HA   THR  55           HA       THR  55  -3.128  -1.938   7.037
  415    HB   THR  55           HB       THR  55  -6.064  -2.384   7.807
  416    HG1  THR  55           HG1      THR  55  -6.001  -1.179   5.963
  417   1HG2  THR  55          HG21      THR  55  -3.902  -0.444   8.771
  418   2HG2  THR  55          HG22      THR  55  -5.610  -0.394   9.269
  419   3HG2  THR  55          HG23      THR  55  -4.594  -1.773   9.724
  420    H    GLU  56           H        GLU  56  -5.489  -4.600   7.700
  421    HA   GLU  56           HA       GLU  56  -4.353  -5.351  10.168
  422   1HB   GLU  56          HB2       GLU  56  -6.675  -5.865   9.358
  423   2HB   GLU  56          HB3       GLU  56  -6.010  -7.018   8.192
  424   1HG   GLU  56          HG2       GLU  56  -5.112  -8.380  10.043
  425   2HG   GLU  56          HG3       GLU  56  -5.660  -7.172  11.220
  426    H    ASN  57           H        ASN  57  -4.054  -6.748   6.867
  427    HA   ASN  57           HA       ASN  57  -2.263  -8.764   7.419
  428   1HB   ASN  57          HB2       ASN  57  -3.478  -8.066   5.236
  429   2HB   ASN  57          HB3       ASN  57  -2.031  -7.111   4.876
  430   1HD2  ASN  57          HD21      ASN  57  -3.183  -9.499   3.483
  431   2HD2  ASN  57          HD22      ASN  57  -1.909 -10.713   3.535
  432    H    PHE  58           H        PHE  58  -1.401  -5.353   6.635
  433    HA   PHE  58           HA       PHE  58   1.415  -5.646   6.788
  434   1HB   PHE  58          HB2       PHE  58   0.324  -3.671   5.856
  435   2HB   PHE  58          HB3       PHE  58  -0.375  -3.269   7.417
  436    HD1  PHE  58           HD1      PHE  58   0.862  -1.979   9.037
  437    HD2  PHE  58           HD2      PHE  58   2.932  -3.792   5.735
  438    HE1  PHE  58           HE1      PHE  58   2.892  -0.762   9.643
  439    HE2  PHE  58           HE2      PHE  58   4.936  -2.403   6.223
  440    HZ   PHE  58           HZ       PHE  58   4.947  -0.928   8.211
  441    H    GLU  59           H        GLU  59  -0.892  -4.567   9.354
  442    HA   GLU  59           HA       GLU  59   1.123  -4.164  11.336
  443   1HB   GLU  59          HB2       GLU  59  -1.885  -4.635  11.464
  444   2HB   GLU  59          HB3       GLU  59  -0.916  -4.211  12.876
  445   1HG   GLU  59          HG2       GLU  59  -0.978  -2.481  10.351
  446   2HG   GLU  59          HG3       GLU  59  -2.110  -2.307  11.686
  447    H    ASP  60           H        ASP  60  -1.198  -6.754  10.888
  448    HA   ASP  60           HA       ASP  60  -0.761  -8.704  12.699
  449   1HB   ASP  60          HB2       ASP  60  -2.393  -8.867  10.832
  450   2HB   ASP  60          HB3       ASP  60  -1.071  -8.910   9.680
  451    H    HIS  61           H        HIS  61   1.105  -8.356   9.662
  452    HA   HIS  61           HA       HIS  61   2.964 -10.453  10.235
  453   1HB   HIS  61          HB2       HIS  61   2.929  -8.141   8.295
  454   2HB   HIS  61          HB3       HIS  61   4.280  -9.278   8.375
  455    HD1  HIS  61           HD1      HIS  61   0.720 -10.746   8.765
  456    HD2  HIS  61           HD2      HIS  61   3.855 -10.231   5.992
  457    HE1  HIS  61           HE1      HIS  61   0.212 -12.252   6.795
  458    H    GLY  62           H        GLY  62   2.827  -7.482  11.867
  459   1HA   GLY  62          HA1       GLY  62   4.229  -6.595  13.415
  460   2HA   GLY  62          HA2       GLY  62   5.170  -8.095  13.331
  461    H    HIS  63           HN       HIS  63   4.511  -5.693  10.776
  462    HA   HIS  63           HA       HIS  63   7.162  -5.604   9.798
  463   1HB   HIS  63          HB2       HIS  63   4.735  -3.811   9.527
  464   2HB   HIS  63          HB3       HIS  63   6.284  -3.337   8.834
  465    HD1  HIS  63           HD1      HIS  63   3.602  -6.039   8.347
  466    HD2  HIS  63           HD2      HIS  63   7.141  -4.501   6.693
  467    HE1  HIS  63           HE1      HIS  63   3.825  -7.087   6.040
  468    H    SER  64           H        SER  64   8.936  -4.452  10.273
  469    HA   SER  64           HA       SER  64   9.244  -3.441  12.861
  470   1HB   SER  64          HB2       SER  64  11.011  -2.985  10.413
  471   2HB   SER  64          HB3       SER  64  11.505  -2.791  12.107
  472    HG   SER  64           HG       SER  64  10.743  -5.132  10.715
  473    H    THR  65           H        THR  65  10.017  -1.333  13.548
  474    HA   THR  65           HA       THR  65   8.404   0.871  13.256
  475    HB   THR  65           HB       THR  65  10.850   1.947  13.845
  476    HG1  THR  65           HG1      THR  65  12.144   0.149  13.358
  477   1HG2  THR  65          HG21      THR  65  10.532   1.180  16.175
  478   2HG2  THR  65          HG22      THR  65   8.993   1.692  15.455
  479   3HG2  THR  65          HG23      THR  65   9.365  -0.041  15.626
  480    H    ASP  66           H        ASP  66  11.455   0.191  11.585
  481    HA   ASP  66           HA       ASP  66  11.684   2.427  10.025
  482   1HB   ASP  66          HB2       ASP  66  12.656  -0.403   9.411
  483   2HB   ASP  66          HB3       ASP  66  13.394   1.119   8.890
  484    H    ALA  67           H        ALA  67   9.998  -0.627   9.299
  485    HA   ALA  67           HA       ALA  67   9.473  -0.101   6.521
  486   1HB   ALA  67          HB1       ALA  67   8.155  -1.992   8.518
  487   2HB   ALA  67          HB2       ALA  67   7.850  -1.975   6.779
  488   3HB   ALA  67          HB3       ALA  67   9.462  -2.393   7.397
  489    H    ARG  68           H        ARG  68   7.788   0.219   9.630
  490    HA   ARG  68           HA       ARG  68   5.361   1.332   8.732
  491   1HB   ARG  68          HB2       ARG  68   6.476   0.559  11.122
  492   2HB   ARG  68          HB3       ARG  68   6.455   2.298  11.356
  493   1HG   ARG  68          HG2       ARG  68   4.193   2.356  11.611
  494   2HG   ARG  68          HG3       ARG  68   3.884   1.204  10.314
  495   1HD   ARG  68          HD2       ARG  68   4.557  -0.688  11.712
  496   2HD   ARG  68          HD3       ARG  68   4.963   0.360  13.048
  497    HE   ARG  68           HE       ARG  68   2.290  -0.546  12.196
  498   1HH1  ARG  68          HH22      ARG  68   3.999   2.026  13.872
  499   2HH1  ARG  68          HH21      ARG  68   2.709   2.388  14.987
  500   1HH2  ARG  68          HH11      ARG  68   0.581  -0.144  13.663
  501   2HH2  ARG  68          HH12      ARG  68   0.675   1.144  14.818
  502    H    GLU  69           H        GLU  69   8.376   2.955   9.719
  503    HA   GLU  69           HA       GLU  69   7.650   5.632   9.273
  504   1HB   GLU  69          HB2       GLU  69   9.833   4.461  10.269
  505   2HB   GLU  69          HB3       GLU  69  10.427   4.627   8.617
  506   1HG   GLU  69          HG2       GLU  69  11.142   6.522   9.953
  507   2HG   GLU  69          HG3       GLU  69   9.953   7.098   8.773
  508    H    LEU  70           H        LEU  70   9.125   3.226   7.080
  509    HA   LEU  70           HA       LEU  70   9.101   4.734   4.776
  510   1HB   LEU  70          HB2       LEU  70   9.370   1.907   5.425
  511   2HB   LEU  70          HB3       LEU  70   8.341   2.037   4.062
  512    HG   LEU  70           HG       LEU  70  10.429   1.807   3.123
  513   1HD1  LEU  70          HD11      LEU  70   9.288   4.117   2.491
  514   2HD1  LEU  70          HD12      LEU  70  10.713   4.807   3.277
  515   3HD1  LEU  70          HD13      LEU  70  10.918   3.715   1.901
  516   1HD2  LEU  70          HD21      LEU  70  12.500   2.873   3.973
  517   2HD2  LEU  70          HD22      LEU  70  11.561   3.628   5.282
  518   3HD2  LEU  70          HD23      LEU  70  11.703   1.860   5.190
  519    H    SER  71           H        SER  71   6.349   2.851   6.175
  520    HA   SER  71           HA       SER  71   4.519   3.296   4.072
  521   1HB   SER  71          HB2       SER  71   3.674   3.265   6.984
  522   2HB   SER  71          HB3       SER  71   2.881   2.545   5.574
  523    HG   SER  71           HG       SER  71   3.854   0.910   6.724
  524    H    LYS  72           H        LYS  72   5.481   5.395   6.756
  525    HA   LYS  72           HA       LYS  72   3.413   7.370   6.375
  526   1HB   LYS  72          HB2       LYS  72   6.266   8.023   7.214
  527   2HB   LYS  72          HB3       LYS  72   4.780   8.907   7.561
  528   1HG   LYS  72          HG2       LYS  72   3.979   6.947   8.885
  529   2HG   LYS  72          HG3       LYS  72   5.532   6.148   8.600
  530   1HD   LYS  72          HD2       LYS  72   6.702   8.144   9.533
  531   2HD   LYS  72          HD3       LYS  72   5.147   8.827  10.032
  532   1HE   LYS  72          HE2       LYS  72   4.784   7.017  11.630
  533   2HE   LYS  72          HE3       LYS  72   6.093   6.065  10.917
  534   1HZ   LYS  72          HZ1       LYS  72   7.417   6.905  12.367
  535   2HZ   LYS  72          HZ2       LYS  72   7.409   8.245  11.578
  536   3HZ   LYS  72          HZ3       LYS  72   6.375   8.123  12.885
  537    H    THR  73           H        THR  73   6.740   7.191   5.110
  538    HA   THR  73           HA       THR  73   6.301   9.507   3.433
  539    HB   THR  73           HB       THR  73   8.547   8.779   4.221
  540    HG1  THR  73           HG1      THR  73   8.087  10.303   2.478
  541   1HG2  THR  73          HG21      THR  73   9.870   7.321   2.730
  542   2HG2  THR  73          HG22      THR  73   8.608   6.460   3.614
  543   3HG2  THR  73          HG23      THR  73   8.389   6.824   1.887
  544    H    PHE  74           H        PHE  74   5.579   6.100   2.930
  545    HA   PHE  74           HA       PHE  74   5.104   6.354   0.069
  546   1HB   PHE  74          HB2       PHE  74   4.020   4.378   2.087
  547   2HB   PHE  74          HB3       PHE  74   3.909   4.219   0.352
  548    HD1  PHE  74           HD1      PHE  74   6.992   5.197  -0.043
  549    HD2  PHE  74           HD2      PHE  74   4.888   2.098   2.070
  550    HE1  PHE  74           HE1      PHE  74   8.977   3.739  -0.196
  551    HE2  PHE  74           HE2      PHE  74   6.790   0.574   1.699
  552    HZ   PHE  74           HZ       PHE  74   8.957   1.490   0.906
  553    H    ILE  75           H        ILE  75   3.284   7.434   2.851
  554    HA   ILE  75           HA       ILE  75   0.716   7.198   1.739
  555    HB   ILE  75           HB       ILE  75   1.794   9.285   3.628
  556   1HG1  ILE  75          HG12      ILE  75  -0.315   7.089   3.907
  557   2HG1  ILE  75          HG13      ILE  75   1.383   6.821   4.125
  558   1HG2  ILE  75          HG21      ILE  75  -1.071   9.031   2.599
  559   2HG2  ILE  75          HG22      ILE  75  -0.576   9.992   4.006
  560   3HG2  ILE  75          HG23      ILE  75  -0.009  10.444   2.409
  561   1HD1  ILE  75          HD11      ILE  75   1.404   8.602   5.936
  562   2HD1  ILE  75          HD12      ILE  75  -0.368   8.660   5.809
  563   3HD1  ILE  75          HD13      ILE  75   0.433   7.168   6.320
  564    H    ILE  76           H        ILE  76  -0.296   7.994   0.105
  565    HA   ILE  76           HA       ILE  76   0.802  10.344  -1.435
  566    HB   ILE  76           HB       ILE  76  -0.264   9.040  -3.393
  567   1HG1  ILE  76          HG12      ILE  76   0.152   6.623  -1.609
  568   2HG1  ILE  76          HG13      ILE  76  -1.420   7.443  -1.619
  569   1HG2  ILE  76          HG21      ILE  76   1.747   7.694  -3.746
  570   2HG2  ILE  76          HG22      ILE  76   2.143   9.302  -3.126
  571   3HG2  ILE  76          HG23      ILE  76   2.208   7.901  -2.045
  572   1HD1  ILE  76          HD11      ILE  76  -0.351   6.745  -4.286
  573   2HD1  ILE  76          HD12      ILE  76  -0.888   5.414  -3.223
  574   3HD1  ILE  76          HD13      ILE  76  -2.010   6.711  -3.636
  575    H    GLY  77           H        GLY  77  -1.892   9.261   0.379
  576   1HA   GLY  77          HA1       GLY  77  -4.043  10.943  -0.770
  577   2HA   GLY  77          HA2       GLY  77  -3.871   9.352  -1.496
  578    H    GLU  78           H        GLU  78  -6.161   9.610  -0.337
  579    HA   GLU  78           HA       GLU  78  -5.930   7.828   1.935
  580   1HB   GLU  78          HB2       GLU  78  -7.632  10.326   2.025
  581   2HB   GLU  78          HB3       GLU  78  -7.313   9.214   3.383
  582   1HG   GLU  78          HG2       GLU  78  -4.832  10.055   3.133
  583   2HG   GLU  78          HG3       GLU  78  -5.525  11.374   2.179
  584    H    LEU  79           H        LEU  79  -7.922   6.809   2.404
  585    HA   LEU  79           HA       LEU  79  -9.365   6.088   0.021
  586   1HB   LEU  79          HB2       LEU  79  -8.558   4.588   1.865
  587   2HB   LEU  79          HB3       LEU  79  -9.726   5.342   2.940
  588    HG   LEU  79           HG       LEU  79 -10.002   3.107   1.139
  589   1HD1  LEU  79          HD11      LEU  79 -11.909   2.646   2.483
  590   2HD1  LEU  79          HD12      LEU  79 -10.631   3.281   3.523
  591   3HD1  LEU  79          HD13      LEU  79 -11.986   4.348   3.023
  592   1HD2  LEU  79          HD21      LEU  79 -12.036   3.371   0.103
  593   2HD2  LEU  79          HD22      LEU  79 -12.285   5.007   0.732
  594   3HD2  LEU  79          HD23      LEU  79 -11.032   4.679  -0.508
  595    H    HIS  80           H        HIS  80 -11.014   7.190  -0.759
  596    HA   HIS  80           HA       HIS  80 -11.867   9.446   0.433
  597   1HB   HIS  80          HB2       HIS  80 -11.940   9.078  -1.968
  598   2HB   HIS  80          HB3       HIS  80 -13.328   7.979  -1.771
  599    HD1  HIS  80           HD1      HIS  80 -15.698   9.277  -1.454
  600    HD2  HIS  80           HD2      HIS  80 -12.230  11.498  -0.825
  601    HE1  HIS  80           HE1      HIS  80 -16.455  11.579  -0.631
  602    HA   PRO  81           HA       PRO  81 -14.527   7.767   3.444
  603   1HB   PRO  81          HB2       PRO  81 -15.610  10.696   3.318
  604   2HB   PRO  81          HB3       PRO  81 -15.423   9.765   4.790
  605   1HG   PRO  81          HG2       PRO  81 -13.555  11.648   3.869
  606   2HG   PRO  81          HG3       PRO  81 -12.945  10.115   4.594
  607   1HD   PRO  81          HD2       PRO  81 -13.101  10.963   1.752
  608   2HD   PRO  81          HD3       PRO  81 -12.053   9.769   2.583
  609    H    ASP  82           H        ASP  82 -16.038   9.079   0.774
  610    HA   ASP  82           HA       ASP  82 -18.773   8.663   1.531
  611   1HB   ASP  82          HB2       ASP  82 -18.097   9.642  -0.677
  612   2HB   ASP  82          HB3       ASP  82 -17.390   8.074  -1.148
  613    H    ASP  83           H        ASP  83 -16.107   6.663   0.563
  614    HA   ASP  83           HA       ASP  83 -16.852   4.157   0.150
  615   1HB   ASP  83          HB2       ASP  83 -14.575   5.183   0.186
  616   2HB   ASP  83          HB3       ASP  83 -14.463   5.080   1.868
  617    H    ARG  84           H        ARG  84 -15.480   4.639   3.300
  618    HA   ARG  84           HA       ARG  84 -16.153   2.124   3.956
  619   1HB   ARG  84          HB2       ARG  84 -14.909   2.554   6.061
  620   2HB   ARG  84          HB3       ARG  84 -14.136   3.061   4.577
  621   1HG   ARG  84          HG2       ARG  84 -13.592   4.669   6.146
  622   2HG   ARG  84          HG3       ARG  84 -14.750   5.453   5.099
  623   1HD   ARG  84          HD2       ARG  84 -15.403   4.180   7.809
  624   2HD   ARG  84          HD3       ARG  84 -14.971   5.882   7.645
  625    HE   ARG  84           HE       ARG  84 -17.437   4.489   6.910
  626   1HH1  ARG  84          HH22      ARG  84 -15.759   7.584   6.609
  627   2HH1  ARG  84          HH21      ARG  84 -16.698   8.056   5.189
  628   1HH2  ARG  84          HH11      ARG  84 -18.592   5.189   4.981
  629   2HH2  ARG  84          HH12      ARG  84 -18.258   6.774   4.321
  630    HHA  HEM 201           HGM      HEM 201   9.412  -9.087   5.619
  631    HHB  HEM 201           HDM      HEM 201   9.268  -2.747   4.455
  632    HHC  HEM 201           HAM      HEM 201   3.000  -3.207   3.073
  633    HHD  HEM 201           HBM      HEM 201   3.409  -9.649   3.369
  634   1HMA  HEM 201          HM81      HEM 201  11.211  -3.501   6.204
  635   2HMA  HEM 201          HM82      HEM 201  12.372  -4.663   5.556
  636   3HMA  HEM 201          HM83      HEM 201  11.536  -3.570   4.457
  637   1HAA  HEM 201          HP71      HEM 201  11.383  -8.235   6.153
  638   2HAA  HEM 201          HP72      HEM 201  12.282  -6.665   6.369
  639   1HBA  HEM 201          HP73      HEM 201  11.660  -7.702   8.501
  640   2HBA  HEM 201          HP74      HEM 201   9.892  -7.576   8.025
  641   1HMB  HEM 201          HM11      HEM 201   8.248  -0.488   3.065
  642   2HMB  HEM 201          HM12      HEM 201   6.891   0.196   3.996
  643   3HMB  HEM 201          HM13      HEM 201   8.139  -0.717   4.808
  644    HAB  HEM 201          HT2A      HEM 201   3.904  -1.361   1.983
  645   1HBB  HEM 201          HV2C      HEM 201   4.739   0.648   3.992
  646   2HBB  HEM 201          HV2T      HEM 201   2.991   0.244   3.398
  647   1HMC  HEM 201          HM31      HEM 201   0.103  -5.463   3.751
  648   2HMC  HEM 201          HM32      HEM 201   0.945  -3.970   3.321
  649   3HMC  HEM 201          HM33      HEM 201   0.452  -5.099   2.043
  650    HAC  HEM 201          HT4A      HEM 201   1.105  -8.925   3.945
  651   1HBC  HEM 201          HV4C      HEM 201   0.254  -7.500   1.372
  652   2HBC  HEM 201          HV4T      HEM 201  -0.295  -9.168   1.995
  653   1HMD  HEM 201          HM51      HEM 201   5.373 -12.430   4.852
  654   2HMD  HEM 201          HM52      HEM 201   4.099 -11.650   3.926
  655   3HMD  HEM 201          HM53      HEM 201   5.539 -12.256   3.092
  656   1HAD  HEM 201          HP61      HEM 201   7.762 -12.397   4.629
  657   2HAD  HEM 201          HP62      HEM 201   9.111 -11.173   4.670
  658   1HBD  HEM 201          HP63      HEM 201   8.104 -10.672   7.096
  659   2HBD  HEM 201          HP64      HEM 201   7.471 -12.380   6.897
  Start of MODEL   15
    1   1H    ALA   3          H1        ALA   3  -3.058  19.820   2.536
    2   2H    ALA   3          H2        ALA   3  -4.311  20.094   1.535
    3   3H    ALA   3          H3        ALA   3  -3.961  21.219   2.711
    4    HA   ALA   3           HA       ALA   3  -5.877  19.688   3.171
    5   1HB   ALA   3          HB1       ALA   3  -5.208  19.235   5.510
    6   2HB   ALA   3          HB2       ALA   3  -3.516  19.602   5.111
    7   3HB   ALA   3          HB3       ALA   3  -4.753  20.879   5.027
    8    H    VAL   4           H        VAL   4  -6.330  17.423   3.932
    9    HA   VAL   4           HA       VAL   4  -4.581  15.289   2.974
   10    HB   VAL   4           HB       VAL   4  -6.711  13.973   2.984
   11   1HG1  VAL   4          HG11      VAL   4  -5.237  14.047   4.937
   12   2HG1  VAL   4          HG12      VAL   4  -6.136  15.447   5.574
   13   3HG1  VAL   4          HG13      VAL   4  -6.938  13.870   5.389
   14   1HG2  VAL   4          HG21      VAL   4  -8.707  14.833   3.969
   15   2HG2  VAL   4          HG22      VAL   4  -8.046  16.465   4.093
   16   3HG2  VAL   4          HG23      VAL   4  -8.332  15.732   2.493
   17    H    LYS   5           H        LYS   5  -5.669  13.909   1.055
   18    HA   LYS   5           HA       LYS   5  -5.992  15.828  -1.253
   19   1HB   LYS   5          HB2       LYS   5  -3.746  14.607  -0.843
   20   2HB   LYS   5          HB3       LYS   5  -4.586  13.144  -1.326
   21   1HG   LYS   5          HG2       LYS   5  -4.193  15.673  -3.021
   22   2HG   LYS   5          HG3       LYS   5  -3.244  14.192  -3.081
   23   1HD   LYS   5          HD2       LYS   5  -4.576  13.694  -4.802
   24   2HD   LYS   5          HD3       LYS   5  -5.576  13.022  -3.515
   25   1HE   LYS   5          HE2       LYS   5  -6.483  15.667  -3.653
   26   2HE   LYS   5          HE3       LYS   5  -5.991  15.389  -5.323
   27   1HZ   LYS   5          HZ1       LYS   5  -7.454  13.412  -5.286
   28   2HZ   LYS   5          HZ2       LYS   5  -7.860  13.748  -3.737
   29   3HZ   LYS   5          HZ3       LYS   5  -8.298  14.793  -4.929
   30    H    TYR   6           H        TYR   6  -6.534  12.629   0.141
   31    HA   TYR   6           HA       TYR   6  -7.772  10.947  -0.275
   32   1HB   TYR   6          HB2       TYR   6 -10.042  13.005  -0.575
   33   2HB   TYR   6          HB3       TYR   6 -10.153  11.280  -0.696
   34    HD1  TYR   6           HD1      TYR   6 -10.080  13.962   1.740
   35    HD2  TYR   6           HD2      TYR   6  -9.703   9.756   1.025
   36    HE1  TYR   6           HE1      TYR   6 -10.531  13.487   4.148
   37    HE2  TYR   6           HE2      TYR   6  -9.822   9.292   3.396
   38    HH   TYR   6           HH       TYR   6 -10.293  10.194   5.508
   39    H    TYR   7           H        TYR   7  -8.539   9.536  -1.402
   40    HA   TYR   7           HA       TYR   7  -8.638   9.640  -4.335
   41   1HB   TYR   7          HB2       TYR   7  -6.761   8.616  -2.245
   42   2HB   TYR   7          HB3       TYR   7  -7.205   7.411  -3.286
   43    HD1  TYR   7           HD1      TYR   7  -7.033  10.471  -5.328
   44    HD2  TYR   7           HD2      TYR   7  -4.514   7.790  -3.056
   45    HE1  TYR   7           HE1      TYR   7  -5.073  11.749  -5.979
   46    HE2  TYR   7           HE2      TYR   7  -2.567   9.154  -3.668
   47    HH   TYR   7           HH       TYR   7  -2.139  11.411  -4.011
   48    H    THR   8           H        THR   8 -10.034   8.208  -5.152
   49    HA   THR   8           HA       THR   8 -12.087   7.350  -3.254
   50    HB   THR   8           HB       THR   8 -13.327   6.998  -5.470
   51    HG1  THR   8           HG1      THR   8 -12.190   7.981  -7.264
   52   1HG2  THR   8          HG21      THR   8 -12.040   9.741  -5.011
   53   2HG2  THR   8          HG22      THR   8 -13.534   9.422  -5.912
   54   3HG2  THR   8          HG23      THR   8 -13.477   9.127  -4.163
   55    H    LEU   9           H        LEU   9 -12.896   5.134  -3.203
   56    HA   LEU   9           HA       LEU   9 -11.066   3.020  -3.501
   57   1HB   LEU   9          HB2       LEU   9 -12.716   2.611  -2.148
   58   2HB   LEU   9          HB3       LEU   9 -14.020   3.246  -3.147
   59    HG   LEU   9           HG       LEU   9 -12.517   0.670  -3.826
   60   1HD1  LEU   9          HD11      LEU   9 -14.954   0.956  -2.030
   61   2HD1  LEU   9          HD12      LEU   9 -14.255  -0.574  -2.610
   62   3HD1  LEU   9          HD13      LEU   9 -13.328   0.464  -1.517
   63   1HD2  LEU   9          HD21      LEU   9 -14.009   1.442  -5.648
   64   2HD2  LEU   9          HD22      LEU   9 -14.750   0.065  -4.850
   65   3HD2  LEU   9          HD23      LEU   9 -15.327   1.699  -4.485
   66    H    GLU  10           H        GLU  10 -13.399   4.309  -5.825
   67    HA   GLU  10           HA       GLU  10 -13.135   2.791  -8.066
   68   1HB   GLU  10          HB2       GLU  10 -14.388   4.934  -7.832
   69   2HB   GLU  10          HB3       GLU  10 -12.879   5.835  -7.896
   70   1HG   GLU  10          HG2       GLU  10 -13.989   5.925 -10.044
   71   2HG   GLU  10          HG3       GLU  10 -12.482   5.024 -10.212
   72    H    GLU  11           H        GLU  11 -10.819   5.382  -7.139
   73    HA   GLU  11           HA       GLU  11  -8.882   4.687  -9.194
   74   1HB   GLU  11          HB2       GLU  11  -8.685   6.330  -6.598
   75   2HB   GLU  11          HB3       GLU  11  -7.354   6.103  -7.705
   76   1HG   GLU  11          HG2       GLU  11 -10.043   7.286  -8.585
   77   2HG   GLU  11          HG3       GLU  11  -8.742   8.273  -7.902
   78    H    ILE  12           H        ILE  12  -9.120   4.123  -5.678
   79    HA   ILE  12           HA       ILE  12  -6.535   3.205  -5.525
   80    HB   ILE  12           HB       ILE  12  -8.949   2.543  -3.771
   81   1HG1  ILE  12          HG12      ILE  12  -6.648   4.343  -2.975
   82   2HG1  ILE  12          HG13      ILE  12  -7.914   4.986  -4.020
   83   1HG2  ILE  12          HG21      ILE  12  -7.450   0.801  -3.251
   84   2HG2  ILE  12          HG22      ILE  12  -6.039   1.895  -3.247
   85   3HG2  ILE  12          HG23      ILE  12  -7.260   1.980  -1.960
   86   1HD1  ILE  12          HD11      ILE  12  -9.615   4.356  -2.294
   87   2HD1  ILE  12          HD12      ILE  12  -8.298   3.838  -1.222
   88   3HD1  ILE  12          HD13      ILE  12  -8.411   5.525  -1.750
   89    H    GLN  13           H        GLU  13  -9.485   1.357  -6.150
   90    HA   GLN  13           HA       GLU  13  -8.342  -1.279  -6.071
   91   1HB   GLN  13          HB2       GLU  13 -10.667  -0.052  -7.633
   92   2HB   GLN  13          HB3       GLU  13 -10.236  -1.763  -7.755
   93   1HG   GLN  13          HG2       GLU  13 -10.594  -2.057  -5.335
   94   2HG   GLN  13          HG3       GLU  13 -11.006  -0.343  -5.177
   95    H    LYS  14           H        LYS  14  -8.763   1.133  -8.576
   96    HA   LYS  14           HA       LYS  14  -7.930  -0.290 -10.842
   97   1HB   LYS  14          HB2       LYS  14  -9.033   2.118 -10.356
   98   2HB   LYS  14          HB3       LYS  14  -7.409   2.661 -10.415
   99   1HG   LYS  14          HG2       LYS  14  -8.281   3.033 -12.548
  100   2HG   LYS  14          HG3       LYS  14  -7.317   1.563 -12.752
  101   1HD   LYS  14          HD2       LYS  14  -9.357   1.226 -13.913
  102   2HD   LYS  14          HD3       LYS  14  -9.486   0.207 -12.487
  103   1HE   LYS  14          HE2       LYS  14 -10.703   3.029 -12.626
  104   2HE   LYS  14          HE3       LYS  14 -11.530   1.618 -13.282
  105   1HZ   LYS  14          HZ1       LYS  14 -11.475   0.641 -11.033
  106   2HZ   LYS  14          HZ2       LYS  14 -10.921   2.079 -10.438
  107   3HZ   LYS  14          HZ3       LYS  14 -12.341   2.022 -11.181
  108    H    HIS  15           H        HIS  15  -6.113   1.734  -8.519
  109    HA   HIS  15           HA       HIS  15  -3.536   1.317  -9.833
  110   1HB   HIS  15          HB2       HIS  15  -4.380   2.624  -7.238
  111   2HB   HIS  15          HB3       HIS  15  -2.695   2.340  -7.729
  112    HD1  HIS  15           HD1      HIS  15  -1.712   4.506  -8.599
  113    HD2  HIS  15           HD2      HIS  15  -5.712   3.922  -9.712
  114    HE1  HIS  15           HE1      HIS  15  -2.299   6.391 -10.219
  115    H    ASN  16           H        ASN  16  -4.023  -1.047  -9.819
  116    HA   ASN  16           HA       ASN  16  -1.967  -2.073  -7.972
  117   1HB   ASN  16          HB2       ASN  16  -3.107  -4.019  -7.221
  118   2HB   ASN  16          HB3       ASN  16  -4.069  -2.596  -6.811
  119   1HD2  ASN  16          HD21      ASN  16  -5.583  -4.551  -6.501
  120   2HD2  ASN  16          HD22      ASN  16  -6.601  -4.913  -7.892
  121    H    ASN  17           H        ASN  17  -2.318  -1.404 -10.868
  122    HA   ASN  17           HA       ASN  17  -1.279  -3.959 -11.988
  123   1HB   ASN  17          HB2       ASN  17  -3.739  -3.873 -12.368
  124   2HB   ASN  17          HB3       ASN  17  -3.535  -2.332 -13.219
  125   1HD2  ASN  17          HD21      ASN  17  -4.522  -3.488 -15.095
  126   2HD2  ASN  17          HD22      ASN  17  -3.494  -4.524 -16.072
  127    H    SER  18           H        SER  18   0.437  -2.060 -11.350
  128    HA   SER  18           HA       SER  18   2.443  -1.689 -12.355
  129   1HB   SER  18          HB2       SER  18   1.687  -3.182 -14.249
  130   2HB   SER  18          HB3       SER  18   1.156  -1.725 -15.118
  131    HG   SER  18           HG       SER  18   3.330  -2.398 -15.592
  132    H    LYS  19           H        LYS  19  -0.242  -0.036 -13.897
  133    HA   LYS  19           HA       LYS  19   0.168   2.617 -14.150
  134   1HB   LYS  19          HB2       LYS  19  -1.788   0.936 -12.526
  135   2HB   LYS  19          HB3       LYS  19  -1.938   2.665 -12.496
  136   1HG   LYS  19          HG2       LYS  19  -2.079   0.885 -14.988
  137   2HG   LYS  19          HG3       LYS  19  -3.431   1.617 -14.129
  138   1HD   LYS  19          HD2       LYS  19  -3.283   3.330 -15.566
  139   2HD   LYS  19          HD3       LYS  19  -1.893   3.850 -14.613
  140   1HE   LYS  19          HE2       LYS  19  -0.464   2.356 -16.231
  141   2HE   LYS  19          HE3       LYS  19  -1.929   2.212 -17.202
  142   1HZ   LYS  19          HZ1       LYS  19  -0.556   4.730 -16.513
  143   2HZ   LYS  19          HZ2       LYS  19  -0.511   3.971 -17.970
  144   3HZ   LYS  19          HZ3       LYS  19  -1.923   4.615 -17.425
  145    H    SER  20           H        SER  20  -0.234   1.162 -10.911
  146    HA   SER  20           HA       SER  20   1.994   2.070  -9.716
  147   1HB   SER  20          HB2       SER  20   0.004   4.208  -9.822
  148   2HB   SER  20          HB3       SER  20   0.198   3.629  -8.150
  149    HG   SER  20           HG       SER  20   1.908   4.732  -8.094
  150    H    THR  21           H        THR  21   1.823   1.222  -7.475
  151    HA   THR  21           HA       THR  21  -0.547  -0.593  -7.090
  152    HB   THR  21           HB       THR  21   2.341  -0.957  -6.306
  153    HG1  THR  21           HG1      THR  21   2.026  -2.663  -7.920
  154   1HG2  THR  21          HG21      THR  21   0.802  -2.091  -4.706
  155   2HG2  THR  21          HG22      THR  21  -0.106  -2.764  -6.082
  156   3HG2  THR  21          HG23      THR  21   1.552  -3.294  -5.761
  157    H    TRP  22           H        TRP  22  -1.908   0.369  -5.762
  158    HA   TRP  22           HA       TRP  22  -1.010   2.043  -3.494
  159   1HB   TRP  22          HB2       TRP  22  -3.521   1.732  -5.141
  160   2HB   TRP  22          HB3       TRP  22  -3.580   2.540  -3.615
  161    HD1  TRP  22           HD1      TRP  22  -0.400   3.153  -5.506
  162    HE1  TRP  22           HE1      TRP  22  -0.293   5.397  -6.562
  163    HE3  TRP  22           HE3      TRP  22  -5.202   4.545  -4.629
  164    HZ2  TRP  22           HZ2      TRP  22  -2.270   7.518  -7.304
  165    HZ3  TRP  22           HZ3      TRP  22  -6.151   6.569  -5.702
  166    HH2  TRP  22           HH2      TRP  22  -4.722   8.023  -7.094
  167    H    LEU  23           H        LEU  23  -1.798   1.640  -1.337
  168    HA   LEU  23           HA       LEU  23  -3.900  -0.376  -1.056
  169   1HB   LEU  23          HB2       LEU  23  -2.242  -1.114   1.087
  170   2HB   LEU  23          HB3       LEU  23  -2.689  -2.031  -0.290
  171    HG   LEU  23           HG       LEU  23  -0.580  -1.044  -1.482
  172   1HD1  LEU  23          HD11      LEU  23   0.226  -0.928   1.442
  173   2HD1  LEU  23          HD12      LEU  23   1.092  -0.300   0.013
  174   3HD1  LEU  23          HD13      LEU  23  -0.378   0.493   0.560
  175   1HD2  LEU  23          HD21      LEU  23   0.725  -2.920  -0.520
  176   2HD2  LEU  23          HD22      LEU  23  -0.535  -3.140   0.715
  177   3HD2  LEU  23          HD23      LEU  23  -0.906  -3.410  -0.999
  178    H    ILE  24           H        ILE  24  -4.906  -0.332   1.081
  179    HA   ILE  24           HA       ILE  24  -4.590   2.345   2.360
  180    HB   ILE  24           HB       ILE  24  -6.784   0.376   3.035
  181   1HG1  ILE  24          HG12      ILE  24  -7.333   2.492   0.950
  182   2HG1  ILE  24          HG13      ILE  24  -6.809   0.881   0.468
  183   1HG2  ILE  24          HG21      ILE  24  -6.748   3.401   3.104
  184   2HG2  ILE  24          HG22      ILE  24  -7.997   2.335   3.770
  185   3HG2  ILE  24          HG23      ILE  24  -6.382   2.337   4.477
  186   1HD1  ILE  24          HD11      ILE  24  -8.627  -0.221   1.525
  187   2HD1  ILE  24          HD12      ILE  24  -9.218   1.274   2.246
  188   3HD1  ILE  24          HD13      ILE  24  -9.259   1.063   0.480
  189    H    LEU  25           H        LEU  25  -3.638   2.572   4.192
  190    HA   LEU  25           HA       LEU  25  -3.348   0.268   6.087
  191   1HB   LEU  25          HB2       LEU  25  -1.221   1.850   4.783
  192   2HB   LEU  25          HB3       LEU  25  -1.031   1.528   6.508
  193    HG   LEU  25           HG       LEU  25  -1.227  -0.894   6.069
  194   1HD1  LEU  25          HD11      LEU  25  -1.420  -0.007   3.189
  195   2HD1  LEU  25          HD12      LEU  25  -0.649  -1.555   3.612
  196   3HD1  LEU  25          HD13      LEU  25  -2.310  -1.276   4.083
  197   1HD2  LEU  25          HD21      LEU  25   0.991   0.177   6.255
  198   2HD2  LEU  25          HD22      LEU  25   1.033  -1.145   5.070
  199   3HD2  LEU  25          HD23      LEU  25   0.967   0.542   4.516
  200    H    HIS  26           H        HIS  26  -4.974   1.145   7.409
  201    HA   HIS  26           HA       HIS  26  -5.858   2.485   9.028
  202   1HB   HIS  26          HB2       HIS  26  -3.355   4.188   9.169
  203   2HB   HIS  26          HB3       HIS  26  -4.505   3.794  10.434
  204    HD1  HIS  26           HD1      HIS  26  -4.158   1.287  11.571
  205    HD2  HIS  26           HD2      HIS  26  -1.301   2.557   8.746
  206    HE1  HIS  26           HE1      HIS  26  -2.162  -0.276  11.789
  207    H    TYR  27           H        TYR  27  -6.606   2.958   6.539
  208    HA   TYR  27           HA       TYR  27  -7.841   4.322   5.299
  209   1HB   TYR  27          HB2       TYR  27  -7.781   6.219   7.666
  210   2HB   TYR  27          HB3       TYR  27  -8.936   6.229   6.338
  211    HD1  TYR  27           HD1      TYR  27  -8.840   5.390   9.653
  212    HD2  TYR  27           HD2      TYR  27  -9.888   3.649   5.858
  213    HE1  TYR  27           HE1      TYR  27 -10.319   3.745  10.776
  214    HE2  TYR  27           HE2      TYR  27 -11.133   1.900   6.950
  215    HH   TYR  27           HH       TYR  27 -11.784   1.019   9.167
  216    H    LYS  28           H        LYS  28  -4.768   5.539   6.148
  217    HA   LYS  28           HA       LYS  28  -4.810   7.574   4.005
  218   1HB   LYS  28          HB2       LYS  28  -2.730   6.450   5.837
  219   2HB   LYS  28          HB3       LYS  28  -2.221   6.941   4.212
  220   1HG   LYS  28          HG2       LYS  28  -1.932   8.774   5.775
  221   2HG   LYS  28          HG3       LYS  28  -3.070   9.155   4.490
  222   1HD   LYS  28          HD2       LYS  28  -4.015   9.982   6.434
  223   2HD   LYS  28          HD3       LYS  28  -4.960   8.548   6.113
  224   1HE   LYS  28          HE2       LYS  28  -2.899   7.549   7.761
  225   2HE   LYS  28          HE3       LYS  28  -3.107   9.187   8.377
  226   1HZ   LYS  28          HZ1       LYS  28  -5.511   8.600   8.593
  227   2HZ   LYS  28          HZ2       LYS  28  -5.120   7.037   8.201
  228   3HZ   LYS  28          HZ3       LYS  28  -4.505   7.713   9.549
  229    H    VAL  29           H        VAL  29  -3.493   7.177   2.066
  230    HA   VAL  29           HA       VAL  29  -3.728   4.402   1.016
  231    HB   VAL  29           HB       VAL  29  -4.273   7.030  -0.384
  232   1HG1  VAL  29          HG11      VAL  29  -3.022   5.606  -1.926
  233   2HG1  VAL  29          HG12      VAL  29  -4.057   4.219  -1.519
  234   3HG1  VAL  29          HG13      VAL  29  -4.743   5.633  -2.349
  235   1HG2  VAL  29          HG21      VAL  29  -5.949   4.501  -0.165
  236   2HG2  VAL  29          HG22      VAL  29  -6.117   5.838   0.983
  237   3HG2  VAL  29          HG23      VAL  29  -6.438   6.108  -0.752
  238    H    TYR  30           H        TYR  30  -1.997   3.632   0.035
  239    HA   TYR  30           HA       TYR  30   0.595   5.065   0.428
  240   1HB   TYR  30          HB2       TYR  30  -0.619   2.430   1.247
  241   2HB   TYR  30          HB3       TYR  30   1.096   2.569   1.229
  242    HD1  TYR  30           HD1      TYR  30   2.103   3.822   3.180
  243    HD2  TYR  30           HD2      TYR  30  -2.154   3.763   2.615
  244    HE1  TYR  30           HE1      TYR  30   1.725   4.580   5.563
  245    HE2  TYR  30           HE2      TYR  30  -2.481   4.492   4.881
  246    HH   TYR  30           HH       TYR  30  -1.457   4.506   6.963
  247    H    ASP  31           H        ASP  31   1.676   5.124  -1.550
  248    HA   ASP  31           HA       ASP  31   1.050   3.053  -3.599
  249   1HB   ASP  31          HB2       ASP  31   1.255   5.656  -4.083
  250   2HB   ASP  31          HB3       ASP  31   3.001   5.281  -4.047
  251    H    LEU  32           H        LEU  32   2.652   1.664  -4.303
  252    HA   LEU  32           HA       LEU  32   5.181   1.692  -2.688
  253   1HB   LEU  32          HB2       LEU  32   3.645  -0.742  -3.704
  254   2HB   LEU  32          HB3       LEU  32   5.138  -0.801  -2.791
  255    HG   LEU  32           HG       LEU  32   2.408   0.068  -1.904
  256   1HD1  LEU  32          HD11      LEU  32   2.933  -2.358  -1.788
  257   2HD1  LEU  32          HD12      LEU  32   4.366  -1.978  -0.776
  258   3HD1  LEU  32          HD13      LEU  32   2.756  -1.680  -0.154
  259   1HD2  LEU  32          HD21      LEU  32   3.898   1.676  -0.784
  260   2HD2  LEU  32          HD22      LEU  32   3.191   0.529   0.329
  261   3HD2  LEU  32          HD23      LEU  32   4.892   0.327  -0.188
  262    H    THR  33           H        THR  33   3.908   0.321  -5.695
  263    HA   THR  33           HA       THR  33   4.990  -0.531  -7.473
  264    HB   THR  33           HB       THR  33   5.148   2.467  -7.621
  265    HG1  THR  33           HG1      THR  33   3.410   0.480  -8.665
  266   1HG2  THR  33          HG21      THR  33   5.398   0.398  -9.872
  267   2HG2  THR  33          HG22      THR  33   5.021   2.118 -10.100
  268   3HG2  THR  33          HG23      THR  33   6.597   1.641  -9.449
  269    H    LYS  34           H        LYS  34   7.485   1.914  -6.447
  270    HA   LYS  34           HA       LYS  34   9.618   0.344  -7.718
  271   1HB   LYS  34          HB2       LYS  34   9.779   2.805  -7.362
  272   2HB   LYS  34          HB3       LYS  34   9.768   2.553  -5.619
  273   1HG   LYS  34          HG2       LYS  34  11.830   0.843  -6.780
  274   2HG   LYS  34          HG3       LYS  34  11.958   2.429  -7.514
  275   1HD   LYS  34          HD2       LYS  34  13.414   2.312  -5.616
  276   2HD   LYS  34          HD3       LYS  34  12.129   3.484  -5.276
  277   1HE   LYS  34          HE2       LYS  34  10.987   1.860  -3.815
  278   2HE   LYS  34          HE3       LYS  34  12.111   0.576  -4.299
  279   1HZ   LYS  34          HZ1       LYS  34  12.598   1.555  -2.133
  280   2HZ   LYS  34          HZ2       LYS  34  13.829   1.546  -3.095
  281   3HZ   LYS  34          HZ3       LYS  34  13.020   2.985  -2.848
  282    H    PHE  35           H        PHE  35   7.981   0.564  -4.601
  283    HA   PHE  35           HA       PHE  35  10.103  -0.590  -3.037
  284   1HB   PHE  35          HB2       PHE  35   8.130   0.885  -2.180
  285   2HB   PHE  35          HB3       PHE  35   7.153  -0.598  -2.342
  286    HD1  PHE  35           HD1      PHE  35  10.524   0.321  -0.908
  287    HD2  PHE  35           HD2      PHE  35   6.819  -1.834  -0.415
  288    HE1  PHE  35           HE1      PHE  35  11.521  -0.956   0.937
  289    HE2  PHE  35           HE2      PHE  35   7.771  -3.031   1.473
  290    HZ   PHE  35           HZ       PHE  35  10.204  -2.726   2.074
  291    H    LEU  36           H        LEU  36   7.566  -1.814  -4.994
  292    HA   LEU  36           HA       LEU  36   6.936  -4.349  -4.024
  293   1HB   LEU  36          HB2       LEU  36   7.456  -3.377  -6.875
  294   2HB   LEU  36          HB3       LEU  36   6.525  -4.773  -6.445
  295    HG   LEU  36           HG       LEU  36   5.702  -1.964  -5.890
  296   1HD1  LEU  36          HD11      LEU  36   3.921  -2.597  -7.481
  297   2HD1  LEU  36          HD12      LEU  36   5.497  -2.926  -8.226
  298   3HD1  LEU  36          HD13      LEU  36   4.548  -4.254  -7.558
  299   1HD2  LEU  36          HD21      LEU  36   3.613  -2.939  -5.016
  300   2HD2  LEU  36          HD22      LEU  36   4.385  -4.544  -5.001
  301   3HD2  LEU  36          HD23      LEU  36   5.009  -3.210  -3.990
  302    H    GLU  37           H        GLU  37   9.750  -3.271  -5.877
  303    HA   GLU  37           HA       GLU  37  10.865  -5.912  -6.272
  304   1HB   GLU  37          HB2       GLU  37  11.053  -3.845  -7.728
  305   2HB   GLU  37          HB3       GLU  37  12.157  -3.145  -6.543
  306   1HG   GLU  37          HG2       GLU  37  12.582  -5.828  -7.928
  307   2HG   GLU  37          HG3       GLU  37  13.143  -4.283  -8.586
  308    H    GLU  38           H        GLU  38  11.598  -3.112  -4.256
  309    HA   GLU  38           HA       GLU  38  13.834  -4.062  -2.862
  310   1HB   GLU  38          HB2       GLU  38  12.748  -1.719  -3.188
  311   2HB   GLU  38          HB3       GLU  38  11.790  -2.087  -1.757
  312   1HG   GLU  38          HG2       GLU  38  13.788  -2.089  -0.384
  313   2HG   GLU  38          HG3       GLU  38  14.840  -2.141  -1.818
  314    H    HIS  39           HN       HIS  39  10.406  -4.392  -2.200
  315    HA   HIS  39           HA       HIS  39  10.357  -4.877   0.501
  316   1HB   HIS  39          HB2       HIS  39   8.397  -4.349  -0.896
  317   2HB   HIS  39          HB3       HIS  39   8.530  -5.924  -1.687
  318    HD1  HIS  39           HD1      HIS  39   6.455  -7.222  -0.807
  319    HD2  HIS  39           HD2      HIS  39   8.538  -5.027   2.119
  320    HE1  HIS  39           HE1      HIS  39   5.189  -7.525   1.381
  321    HA   PRO  40           HA       PRO  40  12.199  -9.060   0.765
  322   1HB   PRO  40          HB2       PRO  40  10.796  -8.781   3.436
  323   2HB   PRO  40          HB3       PRO  40  12.371  -9.548   3.085
  324   1HG   PRO  40          HG2       PRO  40  12.351  -7.023   4.040
  325   2HG   PRO  40          HG3       PRO  40  13.371  -7.393   2.620
  326   1HD   PRO  40          HD2       PRO  40  10.622  -6.126   2.648
  327   2HD   PRO  40          HD3       PRO  40  12.093  -5.619   1.761
  328    H    GLY  41           H        GLY  41   8.801  -8.293   1.711
  329   1HA   GLY  41          HA1       GLY  41   7.732 -10.938   1.490
  330   2HA   GLY  41          HA2       GLY  41   6.846  -9.446   1.351
  331    H    GLY  42           H        GLY  42   8.836  -8.690  -1.002
  332   1HA   GLY  42          HA1       GLY  42   8.966  -9.003  -3.257
  333   2HA   GLY  42          HA2       GLY  42   7.940 -10.444  -3.158
  334    H    GLU  43           H        GLU  43   7.364  -9.051  -5.210
  335    HA   GLU  43           HA       GLU  43   5.555  -6.826  -4.825
  336   1HB   GLU  43          HB2       GLU  43   7.016  -6.878  -6.729
  337   2HB   GLU  43          HB3       GLU  43   6.387  -8.392  -7.306
  338   1HG   GLU  43          HG2       GLU  43   4.331  -6.297  -6.982
  339   2HG   GLU  43          HG3       GLU  43   5.533  -6.102  -8.291
  340    H    GLU  44           H        GLU  44   5.105 -10.158  -6.154
  341    HA   GLU  44           HA       GLU  44   2.490 -10.022  -6.760
  342   1HB   GLU  44          HB2       GLU  44   3.842 -12.467  -5.526
  343   2HB   GLU  44          HB3       GLU  44   2.350 -12.447  -6.478
  344   1HG   GLU  44          HG2       GLU  44   3.664 -11.400  -8.382
  345   2HG   GLU  44          HG3       GLU  44   5.144 -11.719  -7.462
  346    H    VAL  45           H        VAL  45   3.611 -11.050  -3.502
  347    HA   VAL  45           HA       VAL  45   0.998 -11.316  -2.417
  348    HB   VAL  45           HB       VAL  45   3.242 -12.223  -1.555
  349   1HG1  VAL  45          HG11      VAL  45   3.331  -9.562  -0.058
  350   2HG1  VAL  45          HG12      VAL  45   4.424 -10.938   0.119
  351   3HG1  VAL  45          HG13      VAL  45   4.413 -10.010  -1.395
  352   1HG2  VAL  45          HG21      VAL  45   2.448 -12.304   0.773
  353   2HG2  VAL  45          HG22      VAL  45   1.265 -11.030   0.416
  354   3HG2  VAL  45          HG23      VAL  45   1.139 -12.603  -0.389
  355    H    LEU  46           H        LEU  46   2.922  -8.397  -2.985
  356    HA   LEU  46           HA       LEU  46   1.222  -6.756  -1.215
  357   1HB   LEU  46          HB2       LEU  46   3.237  -6.000  -3.369
  358   2HB   LEU  46          HB3       LEU  46   2.282  -4.854  -2.441
  359    HG   LEU  46           HG       LEU  46   4.195  -6.857  -1.166
  360   1HD1  LEU  46          HD11      LEU  46   4.536  -3.959  -2.008
  361   2HD1  LEU  46          HD12      LEU  46   5.640  -4.749  -0.896
  362   3HD1  LEU  46          HD13      LEU  46   5.482  -5.356  -2.557
  363   1HD2  LEU  46          HD21      LEU  46   4.033  -5.203   0.735
  364   2HD2  LEU  46          HD22      LEU  46   2.697  -4.413  -0.113
  365   3HD2  LEU  46          HD23      LEU  46   2.539  -6.100   0.431
  366    H    ARG  47           H        ARG  47   1.605  -7.374  -4.756
  367    HA   ARG  47           HA       ARG  47  -0.477  -5.553  -5.407
  368   1HB   ARG  47          HB2       ARG  47   0.998  -7.642  -6.961
  369   2HB   ARG  47          HB3       ARG  47  -0.565  -7.070  -7.565
  370   1HG   ARG  47          HG2       ARG  47   0.213  -4.701  -7.294
  371   2HG   ARG  47          HG3       ARG  47   1.837  -5.310  -6.902
  372   1HD   ARG  47          HD2       ARG  47   1.367  -4.436  -9.262
  373   2HD   ARG  47          HD3       ARG  47   2.173  -5.977  -9.182
  374    HE   ARG  47           HE       ARG  47  -0.680  -5.408  -9.872
  375   1HH1  ARG  47          HH22      ARG  47   1.768  -7.965  -9.287
  376   2HH1  ARG  47          HH21      ARG  47   0.961  -9.144 -10.249
  377   1HH2  ARG  47          HH11      ARG  47  -1.766  -6.983 -11.092
  378   2HH2  ARG  47          HH12      ARG  47  -1.140  -8.599 -11.250
  379    H    GLU  48           H        GLU  48  -0.538  -8.990  -4.773
  380    HA   GLU  48           HA       GLU  48  -3.134  -9.835  -5.143
  381   1HB   GLU  48          HB2       GLU  48  -1.299 -11.170  -4.224
  382   2HB   GLU  48          HB3       GLU  48  -1.185 -10.092  -2.835
  383   1HG   GLU  48          HG2       GLU  48  -3.514 -10.882  -2.170
  384   2HG   GLU  48          HG3       GLU  48  -3.359 -12.122  -3.430
  385    H    GLN  49           H        GLN  49  -1.902  -7.791  -2.452
  386    HA   GLN  49           HA       GLN  49  -4.579  -7.529  -1.238
  387   1HB   GLN  49          HB2       GLN  49  -1.858  -6.375  -0.495
  388   2HB   GLN  49          HB3       GLN  49  -3.313  -6.307   0.496
  389   1HG   GLN  49          HG2       GLN  49  -1.895  -8.890  -0.368
  390   2HG   GLN  49          HG3       GLN  49  -1.688  -8.069   1.180
  391   1HE2  GLN  49          HE21      GLN  49  -3.031 -10.799   0.098
  392   2HE2  GLN  49          HE22      GLN  49  -4.500 -10.804   1.059
  393    H    ALA  50           H        ALA  50  -2.263  -5.678  -3.116
  394    HA   ALA  50           HA       ALA  50  -3.045  -3.075  -2.564
  395   1HB   ALA  50          HB1       ALA  50  -1.912  -2.472  -4.641
  396   2HB   ALA  50          HB2       ALA  50  -0.995  -3.740  -3.795
  397   3HB   ALA  50          HB3       ALA  50  -2.030  -4.135  -5.203
  398    H    GLY  51           H        GLY  51  -4.152  -1.525  -3.780
  399   1HA   GLY  51          HA1       GLY  51  -6.191  -0.724  -4.264
  400   2HA   GLY  51          HA2       GLY  51  -6.225  -1.841  -5.647
  401    H    GLY  52           H        GLY  52  -5.970  -1.919  -2.078
  402   1HA   GLY  52          HA1       GLY  52  -8.669  -2.120  -1.451
  403   2HA   GLY  52          HA2       GLY  52  -7.932  -3.752  -1.380
  404    H    ASP  53           H        ASP  53  -8.456  -3.305   0.832
  405    HA   ASP  53           HA       ASP  53  -6.713  -1.652   2.501
  406   1HB   ASP  53          HB2       ASP  53  -8.891  -2.248   3.452
  407   2HB   ASP  53          HB3       ASP  53  -8.523  -3.982   3.266
  408    H    ALA  54           H        ALA  54  -4.845  -2.197   3.474
  409    HA   ALA  54           HA       ALA  54  -4.342  -5.073   3.848
  410   1HB   ALA  54          HB1       ALA  54  -2.128  -3.267   2.807
  411   2HB   ALA  54          HB2       ALA  54  -2.027  -4.995   3.217
  412   3HB   ALA  54          HB3       ALA  54  -2.995  -4.464   1.829
  413    H    THR  55           H        THR  55  -5.235  -2.597   5.460
  414    HA   THR  55           HA       THR  55  -3.107  -1.860   7.156
  415    HB   THR  55           HB       THR  55  -6.046  -2.080   7.984
  416    HG1  THR  55           HG1      THR  55  -5.965  -0.908   6.095
  417   1HG2  THR  55          HG21      THR  55  -4.433  -1.533   9.803
  418   2HG2  THR  55          HG22      THR  55  -3.727  -0.265   8.777
  419   3HG2  THR  55          HG23      THR  55  -5.397  -0.106   9.381
  420    H    GLU  56           H        GLU  56  -5.623  -4.445   7.597
  421    HA   GLU  56           HA       GLU  56  -4.707  -5.257  10.154
  422   1HB   GLU  56          HB2       GLU  56  -6.357  -6.733   8.030
  423   2HB   GLU  56          HB3       GLU  56  -6.153  -7.209   9.718
  424   1HG   GLU  56          HG2       GLU  56  -7.134  -4.967  10.395
  425   2HG   GLU  56          HG3       GLU  56  -7.497  -4.664   8.684
  426    H    ASN  57           H        ASN  57  -4.261  -6.469   6.847
  427    HA   ASN  57           HA       ASN  57  -2.605  -8.642   7.386
  428   1HB   ASN  57          HB2       ASN  57  -3.789  -7.881   5.228
  429   2HB   ASN  57          HB3       ASN  57  -2.344  -6.915   4.896
  430   1HD2  ASN  57          HD21      ASN  57  -3.381  -9.130   3.313
  431   2HD2  ASN  57          HD22      ASN  57  -2.168 -10.400   3.360
  432    H    PHE  58           H        PHE  58  -1.671  -5.228   6.820
  433    HA   PHE  58           HA       PHE  58   1.146  -5.580   6.849
  434   1HB   PHE  58          HB2       PHE  58   0.041  -3.540   6.071
  435   2HB   PHE  58          HB3       PHE  58  -0.576  -3.214   7.682
  436    HD1  PHE  58           HD1      PHE  58   0.659  -1.766   9.101
  437    HD2  PHE  58           HD2      PHE  58   2.667  -3.785   5.864
  438    HE1  PHE  58           HE1      PHE  58   2.651  -0.347   9.449
  439    HE2  PHE  58           HE2      PHE  58   4.661  -2.344   6.205
  440    HZ   PHE  58           HZ       PHE  58   4.657  -0.620   7.990
  441    H    GLU  59           H        GLU  59  -1.115  -4.659   9.513
  442    HA   GLU  59           HA       GLU  59   0.826  -4.724  11.598
  443   1HB   GLU  59          HB2       GLU  59  -2.202  -5.130  11.526
  444   2HB   GLU  59          HB3       GLU  59  -1.287  -5.130  13.034
  445   1HG   GLU  59          HG2       GLU  59  -1.245  -2.804  11.060
  446   2HG   GLU  59          HG3       GLU  59  -2.346  -2.918  12.442
  447    H    ASP  60           H        ASP  60  -1.166  -7.227  10.182
  448    HA   ASP  60           HA       ASP  60  -0.863  -9.313  12.038
  449   1HB   ASP  60          HB2       ASP  60  -2.503  -9.172  10.050
  450   2HB   ASP  60          HB3       ASP  60  -1.130  -9.580   9.015
  451    H    HIS  61           H        HIS  61   0.984  -8.455   9.131
  452    HA   HIS  61           HA       HIS  61   3.158 -10.339   9.601
  453   1HB   HIS  61          HB2       HIS  61   2.659  -8.014   7.744
  454   2HB   HIS  61          HB3       HIS  61   4.229  -8.838   7.775
  455    HD1  HIS  61           HD1      HIS  61   0.559  -9.553   6.804
  456    HD2  HIS  61           HD2      HIS  61   4.434 -11.221   6.712
  457    HE1  HIS  61           HE1      HIS  61   0.442 -11.637   5.326
  458    H    GLY  62           H        GLY  62   2.428  -7.902  11.640
  459   1HA   GLY  62          HA1       GLY  62   3.655  -6.969  13.287
  460   2HA   GLY  62          HA2       GLY  62   5.103  -7.786  12.683
  461    H    HIS  63           HN       HIS  63   5.985  -6.849  10.636
  462    HA   HIS  63           HA       HIS  63   7.183  -5.290   9.649
  463   1HB   HIS  63          HB2       HIS  63   4.521  -3.874   9.766
  464   2HB   HIS  63          HB3       HIS  63   5.927  -3.144   8.998
  465    HD1  HIS  63           HD1      HIS  63   3.404  -5.888   8.388
  466    HD2  HIS  63           HD2      HIS  63   7.024  -4.383   6.872
  467    HE1  HIS  63           HE1      HIS  63   3.675  -6.869   6.052
  468    H    SER  64           H        SER  64   8.898  -4.171  10.183
  469    HA   SER  64           HA       SER  64   9.174  -3.222  12.862
  470   1HB   SER  64          HB2       SER  64  11.021  -4.178  11.430
  471   2HB   SER  64          HB3       SER  64  11.043  -2.660  10.519
  472    HG   SER  64           HG       SER  64  12.238  -1.902  12.111
  473    H    THR  65           H        THR  65  10.220  -1.081  13.283
  474    HA   THR  65           HA       THR  65   8.546   1.210  13.003
  475    HB   THR  65           HB       THR  65  11.016   2.197  13.541
  476    HG1  THR  65           HG1      THR  65  12.125   0.178  12.954
  477   1HG2  THR  65          HG21      THR  65  10.754   1.504  15.900
  478   2HG2  THR  65          HG22      THR  65   9.199   2.008  15.207
  479   3HG2  THR  65          HG23      THR  65   9.563   0.279  15.419
  480    H    ASP  66           H        ASP  66  11.274  -0.018  11.177
  481    HA   ASP  66           HA       ASP  66  11.839   2.181   9.587
  482   1HB   ASP  66          HB2       ASP  66  12.276  -0.782   8.954
  483   2HB   ASP  66          HB3       ASP  66  13.263   0.591   8.441
  484    H    ALA  67           H        ALA  67   9.915  -0.732   8.916
  485    HA   ALA  67           HA       ALA  67   9.055  -0.087   6.296
  486   1HB   ALA  67          HB1       ALA  67   7.359  -1.883   6.739
  487   2HB   ALA  67          HB2       ALA  67   9.015  -2.385   7.154
  488   3HB   ALA  67          HB3       ALA  67   7.880  -1.926   8.431
  489    H    ARG  68           H        ARG  68   7.675   0.235   9.546
  490    HA   ARG  68           HA       ARG  68   5.247   1.548   9.018
  491   1HB   ARG  68          HB2       ARG  68   7.146   1.218  11.265
  492   2HB   ARG  68          HB3       ARG  68   6.173   2.652  11.426
  493   1HG   ARG  68          HG2       ARG  68   4.126   1.294  11.124
  494   2HG   ARG  68          HG3       ARG  68   5.106  -0.161  10.833
  495   1HD   ARG  68          HD2       ARG  68   5.948  -0.148  13.110
  496   2HD   ARG  68          HD3       ARG  68   5.269   1.454  13.403
  497    HE   ARG  68           HE       ARG  68   3.134   0.623  13.636
  498   1HH1  ARG  68          HH22      ARG  68   5.289  -2.155  12.719
  499   2HH1  ARG  68          HH21      ARG  68   4.038  -3.278  12.960
  500   1HH2  ARG  68          HH11      ARG  68   1.450  -1.067  13.658
  501   2HH2  ARG  68          HH12      ARG  68   1.928  -2.634  13.859
  502    H    GLU  69           H        GLU  69   8.428   3.146   9.659
  503    HA   GLU  69           HA       GLU  69   7.647   5.772   9.098
  504   1HB   GLU  69          HB2       GLU  69   9.960   4.799   9.919
  505   2HB   GLU  69          HB3       GLU  69  10.344   4.712   8.198
  506   1HG   GLU  69          HG2       GLU  69   9.748   7.144   9.899
  507   2HG   GLU  69          HG3       GLU  69  11.195   6.792   8.950
  508    H    LEU  70           H        LEU  70   9.084   3.336   6.885
  509    HA   LEU  70           HA       LEU  70   8.950   4.798   4.610
  510   1HB   LEU  70          HB2       LEU  70   9.080   1.893   5.212
  511   2HB   LEU  70          HB3       LEU  70   8.212   2.150   3.777
  512    HG   LEU  70           HG       LEU  70  10.380   1.886   3.021
  513   1HD1  LEU  70          HD11      LEU  70   9.213   4.228   2.415
  514   2HD1  LEU  70          HD12      LEU  70  10.632   4.882   3.231
  515   3HD1  LEU  70          HD13      LEU  70  10.850   3.819   1.832
  516   1HD2  LEU  70          HD21      LEU  70  12.358   2.971   4.036
  517   2HD2  LEU  70          HD22      LEU  70  11.308   3.726   5.259
  518   3HD2  LEU  70          HD23      LEU  70  11.470   1.950   5.192
  519    H    SER  71           H        SER  71   6.236   3.021   6.049
  520    HA   SER  71           HA       SER  71   4.508   3.421   3.769
  521   1HB   SER  71          HB2       SER  71   2.804   2.468   5.086
  522   2HB   SER  71          HB3       SER  71   4.264   1.692   5.674
  523    HG   SER  71           HG       SER  71   4.256   3.288   7.381
  524    H    LYS  72           H        LYS  72   5.265   5.387   6.635
  525    HA   LYS  72           HA       LYS  72   3.217   7.367   6.121
  526   1HB   LYS  72          HB2       LYS  72   5.943   7.918   7.338
  527   2HB   LYS  72          HB3       LYS  72   4.440   8.832   7.540
  528   1HG   LYS  72          HG2       LYS  72   3.468   6.620   8.489
  529   2HG   LYS  72          HG3       LYS  72   5.140   6.083   8.647
  530   1HD   LYS  72          HD2       LYS  72   4.000   8.645   9.893
  531   2HD   LYS  72          HD3       LYS  72   4.046   7.087  10.705
  532   1HE   LYS  72          HE2       LYS  72   5.869   8.438  11.498
  533   2HE   LYS  72          HE3       LYS  72   6.502   7.029  10.647
  534   1HZ   LYS  72          HZ1       LYS  72   7.620   9.168  10.143
  535   2HZ   LYS  72          HZ2       LYS  72   7.159   8.407   8.841
  536   3HZ   LYS  72          HZ3       LYS  72   6.267   9.688   9.363
  537    H    THR  73           H        THR  73   6.647   7.104   5.190
  538    HA   THR  73           HA       THR  73   6.749   9.378   3.501
  539    HB   THR  73           HB       THR  73   8.358   6.814   3.621
  540    HG1  THR  73           HG1      THR  73   9.182   7.917   5.273
  541   1HG2  THR  73          HG21      THR  73   8.715   7.742   1.375
  542   2HG2  THR  73          HG22      THR  73   9.007   9.352   2.079
  543   3HG2  THR  73          HG23      THR  73  10.127   8.007   2.412
  544    H    PHE  74           H        PHE  74   5.469   6.125   2.842
  545    HA   PHE  74           HA       PHE  74   5.051   6.688  -0.022
  546   1HB   PHE  74          HB2       PHE  74   3.990   4.469   1.739
  547   2HB   PHE  74          HB3       PHE  74   3.916   4.526  -0.006
  548    HD1  PHE  74           HD1      PHE  74   6.992   5.595  -0.187
  549    HD2  PHE  74           HD2      PHE  74   4.919   2.220   1.505
  550    HE1  PHE  74           HE1      PHE  74   9.061   4.259  -0.308
  551    HE2  PHE  74           HE2      PHE  74   6.983   0.851   1.271
  552    HZ   PHE  74           HZ       PHE  74   9.103   1.949   0.656
  553    H    ILE  75           H        ILE  75   3.318   7.641   2.788
  554    HA   ILE  75           HA       ILE  75   0.668   7.488   1.843
  555    HB   ILE  75           HB       ILE  75   2.019   9.679   3.438
  556   1HG1  ILE  75          HG12      ILE  75  -0.169   7.718   4.210
  557   2HG1  ILE  75          HG13      ILE  75   1.513   7.280   4.246
  558   1HG2  ILE  75          HG21      ILE  75   0.167  10.808   2.272
  559   2HG2  ILE  75          HG22      ILE  75  -0.931   9.467   2.668
  560   3HG2  ILE  75          HG23      ILE  75  -0.299  10.530   3.938
  561   1HD1  ILE  75          HD11      ILE  75   1.955   9.225   5.815
  562   2HD1  ILE  75          HD12      ILE  75   0.220   9.543   5.857
  563   3HD1  ILE  75          HD13      ILE  75   0.842   8.008   6.482
  564    H    ILE  76           H        ILE  76  -0.299   8.128   0.076
  565    HA   ILE  76           HA       ILE  76   0.744  10.478  -1.507
  566    HB   ILE  76           HB       ILE  76  -0.354   9.214  -3.438
  567   1HG1  ILE  76          HG12      ILE  76   0.017   6.747  -1.716
  568   2HG1  ILE  76          HG13      ILE  76  -1.523   7.616  -1.659
  569   1HG2  ILE  76          HG21      ILE  76   2.075   9.412  -3.133
  570   2HG2  ILE  76          HG22      ILE  76   2.083   7.922  -2.177
  571   3HG2  ILE  76          HG23      ILE  76   1.611   7.887  -3.887
  572   1HD1  ILE  76          HD11      ILE  76  -0.573   6.927  -4.380
  573   2HD1  ILE  76          HD12      ILE  76  -1.125   5.602  -3.316
  574   3HD1  ILE  76          HD13      ILE  76  -2.208   6.939  -3.678
  575    H    GLY  77           H        GLY  77  -1.856   9.424   0.437
  576   1HA   GLY  77          HA1       GLY  77  -4.071  11.036  -0.684
  577   2HA   GLY  77          HA2       GLY  77  -3.912   9.416  -1.340
  578    H    GLU  78           H        GLU  78  -6.121   9.798  -0.094
  579    HA   GLU  78           HA       GLU  78  -5.836   7.986   2.158
  580   1HB   GLU  78          HB2       GLU  78  -7.567  10.521   2.153
  581   2HB   GLU  78          HB3       GLU  78  -7.441   9.342   3.474
  582   1HG   GLU  78          HG2       GLU  78  -6.234  11.153   4.263
  583   2HG   GLU  78          HG3       GLU  78  -5.003  10.015   3.720
  584    H    LEU  79           H        LEU  79  -7.883   6.997   2.667
  585    HA   LEU  79           HA       LEU  79  -9.261   6.186   0.199
  586   1HB   LEU  79          HB2       LEU  79  -8.470   4.497   1.616
  587   2HB   LEU  79          HB3       LEU  79  -9.164   5.224   3.052
  588    HG   LEU  79           HG       LEU  79 -10.223   3.111   1.590
  589   1HD1  LEU  79          HD11      LEU  79 -12.099   3.320   3.133
  590   2HD1  LEU  79          HD12      LEU  79 -10.497   3.442   3.860
  591   3HD1  LEU  79          HD13      LEU  79 -11.483   4.928   3.606
  592   1HD2  LEU  79          HD21      LEU  79 -12.316   5.162   1.262
  593   2HD2  LEU  79          HD22      LEU  79 -11.201   4.770  -0.103
  594   3HD2  LEU  79          HD23      LEU  79 -12.180   3.511   0.662
  595    H    HIS  80           H        HIS  80 -10.871   7.297  -0.556
  596    HA   HIS  80           HA       HIS  80 -11.820   9.431   0.664
  597   1HB   HIS  80          HB2       HIS  80 -11.946   9.044  -1.753
  598   2HB   HIS  80          HB3       HIS  80 -13.325   7.946  -1.499
  599    HD1  HIS  80           HD1      HIS  80 -15.693   9.270  -1.175
  600    HD2  HIS  80           HD2      HIS  80 -12.202  11.518  -0.698
  601    HE1  HIS  80           HE1      HIS  80 -16.431  11.630  -0.525
  602    HA   PRO  81           HA       PRO  81 -14.277   7.736   3.629
  603   1HB   PRO  81          HB2       PRO  81 -15.705  10.496   3.788
  604   2HB   PRO  81          HB3       PRO  81 -15.129   9.537   5.130
  605   1HG   PRO  81          HG2       PRO  81 -13.675  11.717   4.123
  606   2HG   PRO  81          HG3       PRO  81 -12.752  10.194   4.399
  607   1HD   PRO  81          HD2       PRO  81 -14.143  11.144   1.892
  608   2HD   PRO  81          HD3       PRO  81 -12.449  10.701   2.109
  609    H    ASP  82           H        ASP  82 -15.962   9.018   1.110
  610    HA   ASP  82           HA       ASP  82 -18.644   8.597   1.959
  611   1HB   ASP  82          HB2       ASP  82 -18.041   9.726  -0.205
  612   2HB   ASP  82          HB3       ASP  82 -17.407   8.179  -0.826
  613    H    ASP  83           H        ASP  83 -16.019   6.580   0.949
  614    HA   ASP  83           HA       ASP  83 -16.969   3.979   0.801
  615   1HB   ASP  83          HB2       ASP  83 -14.643   5.002   0.519
  616   2HB   ASP  83          HB3       ASP  83 -14.414   5.046   2.188
  617    H    ARG  84           H        ARG  84 -15.502   5.428   3.646
  618    HA   ARG  84           HA       ARG  84 -16.002   2.983   4.988
  619   1HB   ARG  84          HB2       ARG  84 -13.904   4.654   4.682
  620   2HB   ARG  84          HB3       ARG  84 -14.384   5.110   6.301
  621   1HG   ARG  84          HG2       ARG  84 -13.569   2.398   5.192
  622   2HG   ARG  84          HG3       ARG  84 -12.713   3.435   6.316
  623   1HD   ARG  84          HD2       ARG  84 -15.006   1.531   6.739
  624   2HD   ARG  84          HD3       ARG  84 -13.573   1.698   7.739
  625    HE   ARG  84           HE       ARG  84 -16.154   3.088   7.826
  626   1HH1  ARG  84          HH22      ARG  84 -13.069   3.065   9.511
  627   2HH1  ARG  84          HH21      ARG  84 -13.260   4.666  10.168
  628   1HH2  ARG  84          HH11      ARG  84 -16.218   5.318   8.311
  629   2HH2  ARG  84          HH12      ARG  84 -15.269   5.906   9.650
  630    HHA  HEM 201           HGM      HEM 201   9.477  -8.751   5.722
  631    HHB  HEM 201           HDM      HEM 201   9.018  -2.425   4.511
  632    HHC  HEM 201           HAM      HEM 201   2.809  -3.223   3.038
  633    HHD  HEM 201           HBM      HEM 201   3.498  -9.620   3.469
  634   1HMA  HEM 201          HM81      HEM 201  11.199  -3.344   6.512
  635   2HMA  HEM 201          HM82      HEM 201  12.237  -4.244   5.392
  636   3HMA  HEM 201          HM83      HEM 201  11.197  -2.970   4.773
  637   1HAA  HEM 201          HP71      HEM 201  11.391  -7.779   6.353
  638   2HAA  HEM 201          HP72      HEM 201  12.162  -6.140   6.585
  639   1HBA  HEM 201          HP73      HEM 201  11.521  -7.161   8.713
  640   2HBA  HEM 201          HP74      HEM 201   9.771  -7.184   8.154
  641   1HMB  HEM 201          HM11      HEM 201   6.630   0.379   3.441
  642   2HMB  HEM 201          HM12      HEM 201   7.591  -0.276   4.742
  643   3HMB  HEM 201          HM13      HEM 201   8.149  -0.456   3.075
  644    HAB  HEM 201          HT2A      HEM 201   3.774  -1.520   1.738
  645   1HBB  HEM 201          HV2C      HEM 201   4.501   0.838   3.338
  646   2HBB  HEM 201          HV2T      HEM 201   2.765   0.302   2.818
  647   1HMC  HEM 201          HM31      HEM 201   0.527  -4.436   3.685
  648   2HMC  HEM 201          HM32      HEM 201   0.937  -4.449   1.958
  649   3HMC  HEM 201          HM33      HEM 201  -0.015  -5.779   2.639
  650    HAC  HEM 201          HT4A      HEM 201   0.830  -8.642   4.126
  651   1HBC  HEM 201          HV4C      HEM 201   1.035  -8.371   1.086
  652   2HBC  HEM 201          HV4T      HEM 201   0.158  -9.704   2.059
  653   1HMD  HEM 201          HM51      HEM 201   5.963 -12.090   3.118
  654   2HMD  HEM 201          HM52      HEM 201   5.541 -12.325   4.824
  655   3HMD  HEM 201          HM53      HEM 201   4.378 -11.595   3.715
  656   1HAD  HEM 201          HP61      HEM 201   7.981 -12.149   4.738
  657   2HAD  HEM 201          HP62      HEM 201   9.278 -10.867   4.746
  658   1HBD  HEM 201          HP63      HEM 201   8.544 -10.392   7.163
  659   2HBD  HEM 201          HP64      HEM 201   7.614 -11.969   7.043
  Start of MODEL   16
    1   1H    ALA   3          H1        ALA   3  -4.825  21.647  -0.836
    2   2H    ALA   3          H2        ALA   3  -6.276  21.659  -1.576
    3   3H    ALA   3          H3        ALA   3  -5.951  22.820  -0.426
    4    HA   ALA   3           HA       ALA   3  -5.956  21.264   1.302
    5   1HB   ALA   3          HB1       ALA   3  -8.150  20.163   1.121
    6   2HB   ALA   3          HB2       ALA   3  -8.258  21.777   0.409
    7   3HB   ALA   3          HB3       ALA   3  -8.134  20.351  -0.645
    8    H    VAL   4           H        VAL   4  -6.841  18.523   1.218
    9    HA   VAL   4           HA       VAL   4  -4.592  17.081   0.070
   10    HB   VAL   4           HB       VAL   4  -5.869  15.092   0.657
   11   1HG1  VAL   4          HG11      VAL   4  -4.561  16.227   2.413
   12   2HG1  VAL   4          HG12      VAL   4  -6.051  17.033   2.965
   13   3HG1  VAL   4          HG13      VAL   4  -5.919  15.256   3.006
   14   1HG2  VAL   4          HG21      VAL   4  -8.065  15.456   1.987
   15   2HG2  VAL   4          HG22      VAL   4  -8.181  17.011   1.171
   16   3HG2  VAL   4          HG23      VAL   4  -8.150  15.507   0.225
   17    H    LYS   5           H        LYS   5  -5.545  15.080  -1.351
   18    HA   LYS   5           HA       LYS   5  -7.232  16.105  -3.605
   19   1HB   LYS   5          HB2       LYS   5  -5.203  13.810  -3.462
   20   2HB   LYS   5          HB3       LYS   5  -6.549  13.864  -4.601
   21   1HG   LYS   5          HG2       LYS   5  -5.652  16.066  -5.464
   22   2HG   LYS   5          HG3       LYS   5  -4.190  15.764  -4.492
   23   1HD   LYS   5          HD2       LYS   5  -3.947  13.531  -5.611
   24   2HD   LYS   5          HD3       LYS   5  -5.413  13.851  -6.554
   25   1HE   LYS   5          HE2       LYS   5  -4.269  15.831  -7.603
   26   2HE   LYS   5          HE3       LYS   5  -2.785  15.387  -6.737
   27   1HZ   LYS   5          HZ1       LYS   5  -2.859  13.253  -7.887
   28   2HZ   LYS   5          HZ2       LYS   5  -4.203  13.716  -8.714
   29   3HZ   LYS   5          HZ3       LYS   5  -2.782  14.504  -8.955
   30    H    TYR   6           H        TYR   6  -6.240  13.389  -1.608
   31    HA   TYR   6           HA       TYR   6  -7.227  11.570  -0.739
   32   1HB   TYR   6          HB2       TYR   6  -9.933  13.038  -1.020
   33   2HB   TYR   6          HB3       TYR   6  -9.637  11.426  -0.519
   34    HD1  TYR   6           HD1      TYR   6 -11.112  12.047   1.134
   35    HD2  TYR   6           HD2      TYR   6  -7.024  13.197   1.071
   36    HE1  TYR   6           HE1      TYR   6 -10.717  11.130   3.379
   37    HE2  TYR   6           HE2      TYR   6  -6.990  13.203   3.514
   38    HH   TYR   6           HH       TYR   6  -7.872  11.811   5.230
   39    H    TYR   7           H        TYR   7  -8.448   9.864  -1.267
   40    HA   TYR   7           HA       TYR   7  -8.670   9.386  -4.158
   41   1HB   TYR   7          HB2       TYR   7  -6.692   8.835  -2.074
   42   2HB   TYR   7          HB3       TYR   7  -7.196   7.385  -2.692
   43    HD1  TYR   7           HD1      TYR   7  -7.230   9.697  -5.573
   44    HD2  TYR   7           HD2      TYR   7  -4.477   7.798  -2.839
   45    HE1  TYR   7           HE1      TYR   7  -5.402  10.977  -6.528
   46    HE2  TYR   7           HE2      TYR   7  -2.628   9.051  -3.877
   47    HH   TYR   7           HH       TYR   7  -2.164  10.967  -5.003
   48    H    THR   8           H        THR   8 -10.203   8.231  -4.703
   49    HA   THR   8           HA       THR   8 -12.158   7.134  -2.791
   50    HB   THR   8           HB       THR   8 -13.408   6.881  -5.033
   51    HG1  THR   8           HG1      THR   8 -11.204   6.959  -6.133
   52   1HG2  THR   8          HG21      THR   8 -13.705   8.906  -3.619
   53   2HG2  THR   8          HG22      THR   8 -12.281   9.650  -4.395
   54   3HG2  THR   8          HG23      THR   8 -13.734   9.308  -5.352
   55    H    LEU   9           H        LEU   9 -12.555   4.893  -2.576
   56    HA   LEU   9           HA       LEU   9 -10.710   2.962  -3.281
   57   1HB   LEU   9          HB2       LEU   9 -12.198   2.421  -1.758
   58   2HB   LEU   9          HB3       LEU   9 -13.618   2.905  -2.684
   59    HG   LEU   9           HG       LEU   9 -11.896   0.513  -3.514
   60   1HD1  LEU   9          HD11      LEU   9 -14.094   0.499  -1.408
   61   2HD1  LEU   9          HD12      LEU   9 -13.326  -0.943  -2.112
   62   3HD1  LEU   9          HD13      LEU   9 -12.368   0.180  -1.135
   63   1HD2  LEU   9          HD21      LEU   9 -14.081  -0.376  -4.326
   64   2HD2  LEU   9          HD22      LEU   9 -14.896   1.093  -3.755
   65   3HD2  LEU   9          HD23      LEU   9 -13.734   1.171  -5.093
   66    H    GLU  10           H        GLU  10 -13.276   4.142  -5.438
   67    HA   GLU  10           HA       GLU  10 -13.029   2.488  -7.631
   68   1HB   GLU  10          HB2       GLU  10 -14.459   4.524  -7.407
   69   2HB   GLU  10          HB3       GLU  10 -13.049   5.553  -7.642
   70   1HG   GLU  10          HG2       GLU  10 -14.341   5.364  -9.701
   71   2HG   GLU  10          HG3       GLU  10 -12.749   4.637  -9.927
   72    H    GLU  11           H        GLU  11 -10.910   5.207  -6.826
   73    HA   GLU  11           HA       GLU  11  -8.988   4.845  -8.987
   74   1HB   GLU  11          HB2       GLU  11  -8.846   6.417  -6.349
   75   2HB   GLU  11          HB3       GLU  11  -7.550   6.296  -7.480
   76   1HG   GLU  11          HG2       GLU  11 -10.324   7.289  -8.323
   77   2HG   GLU  11          HG3       GLU  11  -9.086   8.363  -7.657
   78    H    ILE  12           H        ILE  12  -9.174   4.056  -5.498
   79    HA   ILE  12           HA       ILE  12  -6.496   3.312  -5.481
   80    HB   ILE  12           HB       ILE  12  -8.652   2.277  -3.589
   81   1HG1  ILE  12          HG12      ILE  12  -6.817   4.694  -3.141
   82   2HG1  ILE  12          HG13      ILE  12  -8.441   4.859  -3.774
   83   1HG2  ILE  12          HG21      ILE  12  -6.954   1.854  -1.954
   84   2HG2  ILE  12          HG22      ILE  12  -6.407   1.095  -3.436
   85   3HG2  ILE  12          HG23      ILE  12  -5.707   2.639  -2.940
   86   1HD1  ILE  12          HD11      ILE  12  -8.492   5.287  -1.430
   87   2HD1  ILE  12          HD12      ILE  12  -9.349   3.768  -1.734
   88   3HD1  ILE  12          HD13      ILE  12  -7.715   3.746  -1.051
   89    H    GLN  13           H        GLU  13  -9.367   1.440  -6.108
   90    HA   GLN  13           HA       GLU  13  -8.234  -1.185  -6.427
   91   1HB   GLN  13          HB2       GLU  13 -10.712   0.281  -7.439
   92   2HB   GLN  13          HB3       GLU  13 -10.318  -1.318  -8.061
   93   1HG   GLN  13          HG2       GLU  13 -10.389  -0.928  -5.064
   94   2HG   GLN  13          HG3       GLU  13 -11.904  -1.037  -5.971
   95    H    LYS  14           H        LYS  14  -8.916   1.539  -8.620
   96    HA   LYS  14           HA       LYS  14  -8.115   0.445 -11.050
   97   1HB   LYS  14          HB2       LYS  14  -9.045   2.872 -10.285
   98   2HB   LYS  14          HB3       LYS  14  -7.385   3.265 -10.263
   99   1HG   LYS  14          HG2       LYS  14  -8.300   3.932 -12.362
  100   2HG   LYS  14          HG3       LYS  14  -7.284   2.528 -12.706
  101   1HD   LYS  14          HD2       LYS  14  -9.385   2.453 -13.936
  102   2HD   LYS  14          HD3       LYS  14  -9.307   1.075 -12.855
  103   1HE   LYS  14          HE2       LYS  14 -10.806   3.662 -12.132
  104   2HE   LYS  14          HE3       LYS  14 -11.534   2.389 -13.113
  105   1HZ   LYS  14          HZ1       LYS  14 -10.790   2.174 -10.277
  106   2HZ   LYS  14          HZ2       LYS  14 -12.223   2.028 -10.989
  107   3HZ   LYS  14          HZ3       LYS  14 -11.112   0.853 -11.220
  108    H    HIS  15           H        HIS  15  -6.096   2.032  -8.560
  109    HA   HIS  15           HA       HIS  15  -3.597   1.573 -10.019
  110   1HB   HIS  15          HB2       HIS  15  -4.302   2.710  -7.314
  111   2HB   HIS  15          HB3       HIS  15  -2.643   2.345  -7.847
  112    HD1  HIS  15           HD1      HIS  15  -1.437   4.294  -8.859
  113    HD2  HIS  15           HD2      HIS  15  -5.595   4.416  -9.474
  114    HE1  HIS  15           HE1      HIS  15  -1.911   6.364 -10.277
  115    H    ASN  16           H        ASN  16  -4.342  -0.714 -10.178
  116    HA   ASN  16           HA       ASN  16  -2.756  -2.371  -8.303
  117   1HB   ASN  16          HB2       ASN  16  -5.052  -2.361  -7.333
  118   2HB   ASN  16          HB3       ASN  16  -5.686  -2.945  -8.880
  119   1HD2  ASN  16          HD21      ASN  16  -3.320  -3.758  -6.344
  120   2HD2  ASN  16          HD22      ASN  16  -3.485  -5.497  -6.497
  121    H    ASN  17           H        ASN  17  -1.456  -2.414 -10.195
  122    HA   ASN  17           HA       ASN  17  -0.951  -4.875 -10.498
  123   1HB   ASN  17          HB2       ASN  17  -3.025  -4.559 -12.684
  124   2HB   ASN  17          HB3       ASN  17  -1.563  -5.419 -13.068
  125   1HD2  ASN  17          HD21      ASN  17  -4.311  -5.545 -10.790
  126   2HD2  ASN  17          HD22      ASN  17  -4.080  -7.234 -10.396
  127    H    SER  18           H        SER  18  -1.293  -2.393 -13.011
  128    HA   SER  18           HA       SER  18   1.593  -1.959 -13.073
  129   1HB   SER  18          HB2       SER  18   1.905  -2.524 -15.426
  130   2HB   SER  18          HB3       SER  18   1.397  -3.959 -14.524
  131    HG   SER  18           HG       SER  18  -0.184  -2.263 -16.136
  132    H    LYS  19           H        LYS  19   0.190  -0.242 -12.154
  133    HA   LYS  19           HA       LYS  19   0.069   1.985 -14.041
  134   1HB   LYS  19          HB2       LYS  19  -2.253   1.345 -12.129
  135   2HB   LYS  19          HB3       LYS  19  -2.076   2.843 -13.045
  136   1HG   LYS  19          HG2       LYS  19  -2.439   0.071 -14.226
  137   2HG   LYS  19          HG3       LYS  19  -3.733   1.242 -13.990
  138   1HD   LYS  19          HD2       LYS  19  -2.865   2.822 -15.534
  139   2HD   LYS  19          HD3       LYS  19  -1.305   2.028 -15.664
  140   1HE   LYS  19          HE2       LYS  19  -3.926   0.930 -16.753
  141   2HE   LYS  19          HE3       LYS  19  -2.586   1.651 -17.661
  142   1HZ   LYS  19          HZ1       LYS  19  -1.208  -0.164 -16.542
  143   2HZ   LYS  19          HZ2       LYS  19  -2.635  -0.916 -16.273
  144   3HZ   LYS  19          HZ3       LYS  19  -2.182  -0.590 -17.821
  145    H    SER  20           H        SER  20  -0.578   0.910 -10.650
  146    HA   SER  20           HA       SER  20   1.977   1.743  -9.968
  147   1HB   SER  20          HB2       SER  20  -0.162   2.839  -8.110
  148   2HB   SER  20          HB3       SER  20   1.531   3.302  -8.272
  149    HG   SER  20           HG       SER  20   0.831   4.061 -10.465
  150    H    THR  21           H        THR  21   1.589   1.140  -7.217
  151    HA   THR  21           HA       THR  21  -0.557  -0.914  -7.062
  152    HB   THR  21           HB       THR  21   2.320  -1.438  -6.316
  153    HG1  THR  21           HG1      THR  21   0.963  -1.824  -8.497
  154   1HG2  THR  21          HG21      THR  21   1.448  -3.679  -5.567
  155   2HG2  THR  21          HG22      THR  21   0.801  -2.379  -4.553
  156   3HG2  THR  21          HG23      THR  21  -0.198  -3.096  -5.851
  157    H    TRP  22           H        TRP  22  -1.898   0.042  -5.774
  158    HA   TRP  22           HA       TRP  22  -1.020   1.851  -3.573
  159   1HB   TRP  22          HB2       TRP  22  -3.373   1.513  -5.413
  160   2HB   TRP  22          HB3       TRP  22  -3.667   2.248  -3.901
  161    HD1  TRP  22           HD1      TRP  22  -0.357   2.965  -5.559
  162    HE1  TRP  22           HE1      TRP  22  -0.260   5.214  -6.634
  163    HE3  TRP  22           HE3      TRP  22  -5.063   4.405  -4.477
  164    HZ2  TRP  22           HZ2      TRP  22  -2.291   7.339  -7.343
  165    HZ3  TRP  22           HZ3      TRP  22  -6.108   6.361  -5.603
  166    HH2  TRP  22           HH2      TRP  22  -4.771   7.767  -7.121
  167    H    LEU  23           H        LEU  23  -1.712   1.544  -1.439
  168    HA   LEU  23           HA       LEU  23  -3.762  -0.474  -0.934
  169   1HB   LEU  23          HB2       LEU  23  -2.052  -1.167   1.123
  170   2HB   LEU  23          HB3       LEU  23  -2.419  -2.084  -0.287
  171    HG   LEU  23           HG       LEU  23  -0.365  -1.001  -1.420
  172   1HD1  LEU  23          HD11      LEU  23   1.238  -0.118   0.094
  173   2HD1  LEU  23          HD12      LEU  23  -0.298   0.535   0.623
  174   3HD1  LEU  23          HD13      LEU  23   0.420  -0.815   1.518
  175   1HD2  LEU  23          HD21      LEU  23  -0.209  -3.071   0.813
  176   2HD2  LEU  23          HD22      LEU  23  -0.635  -3.392  -0.881
  177   3HD2  LEU  23          HD23      LEU  23   0.987  -2.843  -0.476
  178    H    ILE  24           H        ILE  24  -4.506  -0.405   1.288
  179    HA   ILE  24           HA       ILE  24  -4.218   2.315   2.439
  180    HB   ILE  24           HB       ILE  24  -6.585   0.450   2.781
  181   1HG1  ILE  24          HG12      ILE  24  -6.527   2.684   0.747
  182   2HG1  ILE  24          HG13      ILE  24  -6.330   0.982   0.321
  183   1HG2  ILE  24          HG21      ILE  24  -7.773   2.336   3.619
  184   2HG2  ILE  24          HG22      ILE  24  -6.198   2.356   4.405
  185   3HG2  ILE  24          HG23      ILE  24  -6.522   3.459   3.050
  186   1HD1  ILE  24          HD11      ILE  24  -8.771   2.177   1.631
  187   2HD1  ILE  24          HD12      ILE  24  -8.629   1.570  -0.025
  188   3HD1  ILE  24          HD13      ILE  24  -8.522   0.445   1.343
  189    H    LEU  25           H        LEU  25  -3.418   2.463   4.331
  190    HA   LEU  25           HA       LEU  25  -3.242   0.096   6.174
  191   1HB   LEU  25          HB2       LEU  25  -1.049   1.794   5.084
  192   2HB   LEU  25          HB3       LEU  25  -0.960   1.291   6.769
  193    HG   LEU  25           HG       LEU  25  -0.963  -1.032   6.147
  194   1HD1  LEU  25          HD11      LEU  25  -2.205  -1.313   4.208
  195   2HD1  LEU  25          HD12      LEU  25  -1.312  -0.052   3.304
  196   3HD1  LEU  25          HD13      LEU  25  -0.559  -1.620   3.683
  197   1HD2  LEU  25          HD21      LEU  25   1.257  -1.080   5.066
  198   2HD2  LEU  25          HD22      LEU  25   1.014   0.575   4.463
  199   3HD2  LEU  25          HD23      LEU  25   1.177   0.284   6.203
  200    H    HIS  26           H        HIS  26  -4.931   0.944   7.405
  201    HA   HIS  26           HA       HIS  26  -5.910   2.222   9.016
  202   1HB   HIS  26          HB2       HIS  26  -3.437   3.955   9.302
  203   2HB   HIS  26          HB3       HIS  26  -4.661   3.565  10.493
  204    HD1  HIS  26           HD1      HIS  26  -4.381   1.090  11.678
  205    HD2  HIS  26           HD2      HIS  26  -1.330   2.372   9.069
  206    HE1  HIS  26           HE1      HIS  26  -2.342  -0.360  12.165
  207    H    TYR  27           H        TYR  27  -6.822   2.739   6.707
  208    HA   TYR  27           HA       TYR  27  -7.999   4.153   5.417
  209   1HB   TYR  27          HB2       TYR  27  -7.712   5.989   7.819
  210   2HB   TYR  27          HB3       TYR  27  -8.609   6.414   6.373
  211    HD1  TYR  27           HD1      TYR  27  -9.359   2.987   6.613
  212    HD2  TYR  27           HD2      TYR  27 -10.160   6.790   8.512
  213    HE1  TYR  27           HE1      TYR  27 -11.595   2.240   7.188
  214    HE2  TYR  27           HE2      TYR  27 -12.366   5.934   9.247
  215    HH   TYR  27           HH       TYR  27 -14.087   4.020   8.434
  216    H    LYS  28           H        LYS  28  -4.860   5.506   6.349
  217    HA   LYS  28           HA       LYS  28  -4.972   7.393   4.117
  218   1HB   LYS  28          HB2       LYS  28  -2.444   6.402   5.449
  219   2HB   LYS  28          HB3       LYS  28  -2.697   7.854   4.489
  220   1HG   LYS  28          HG2       LYS  28  -3.568   7.235   7.325
  221   2HG   LYS  28          HG3       LYS  28  -2.570   8.552   6.677
  222   1HD   LYS  28          HD2       LYS  28  -4.745   9.281   5.430
  223   2HD   LYS  28          HD3       LYS  28  -5.590   8.187   6.511
  224   1HE   LYS  28          HE2       LYS  28  -5.819  10.247   7.562
  225   2HE   LYS  28          HE3       LYS  28  -4.525   9.454   8.475
  226   1HZ   LYS  28          HZ1       LYS  28  -2.969  10.797   7.085
  227   2HZ   LYS  28          HZ2       LYS  28  -4.243  11.517   6.367
  228   3HZ   LYS  28          HZ3       LYS  28  -4.000  11.747   7.963
  229    H    VAL  29           H        VAL  29  -3.448   7.192   2.211
  230    HA   VAL  29           HA       VAL  29  -3.545   4.408   1.119
  231    HB   VAL  29           HB       VAL  29  -4.021   7.011  -0.346
  232   1HG1  VAL  29          HG11      VAL  29  -2.781   5.532  -1.825
  233   2HG1  VAL  29          HG12      VAL  29  -3.824   4.167  -1.391
  234   3HG1  VAL  29          HG13      VAL  29  -4.487   5.552  -2.280
  235   1HG2  VAL  29          HG21      VAL  29  -5.759   4.555  -0.094
  236   2HG2  VAL  29          HG22      VAL  29  -5.953   5.934   1.007
  237   3HG2  VAL  29          HG23      VAL  29  -6.221   6.141  -0.744
  238    H    TYR  30           H        TYR  30  -1.830   3.658   0.118
  239    HA   TYR  30           HA       TYR  30   0.778   5.076   0.435
  240   1HB   TYR  30          HB2       TYR  30  -0.424   2.439   1.236
  241   2HB   TYR  30          HB3       TYR  30   1.291   2.569   1.237
  242    HD1  TYR  30           HD1      TYR  30  -1.962   3.422   2.676
  243    HD2  TYR  30           HD2      TYR  30   2.260   3.970   3.173
  244    HE1  TYR  30           HE1      TYR  30  -2.338   4.224   4.968
  245    HE2  TYR  30           HE2      TYR  30   1.854   4.709   5.551
  246    HH   TYR  30           HH       TYR  30  -1.344   4.338   7.001
  247    H    ASP  31           H        ASP  31   1.884   5.039  -1.566
  248    HA   ASP  31           HA       ASP  31   1.118   2.927  -3.552
  249   1HB   ASP  31          HB2       ASP  31   1.339   5.487  -4.141
  250   2HB   ASP  31          HB3       ASP  31   3.084   5.124  -4.112
  251    H    LEU  32           H        LEU  32   2.660   1.460  -4.233
  252    HA   LEU  32           HA       LEU  32   5.288   1.562  -2.782
  253   1HB   LEU  32          HB2       LEU  32   3.643  -0.899  -3.498
  254   2HB   LEU  32          HB3       LEU  32   5.181  -0.884  -2.664
  255    HG   LEU  32           HG       LEU  32   2.514   0.102  -1.711
  256   1HD1  LEU  32          HD11      LEU  32   4.423  -1.965  -0.540
  257   2HD1  LEU  32          HD12      LEU  32   2.817  -1.595   0.069
  258   3HD1  LEU  32          HD13      LEU  32   2.985  -2.327  -1.544
  259   1HD2  LEU  32          HD21      LEU  32   3.402   0.640   0.455
  260   2HD2  LEU  32          HD22      LEU  32   5.074   0.299  -0.090
  261   3HD2  LEU  32          HD23      LEU  32   4.164   1.681  -0.733
  262    H    THR  33           H        THR  33   4.205   1.914  -5.807
  263    HA   THR  33           HA       THR  33   5.075   0.163  -7.584
  264    HB   THR  33           HB       THR  33   6.031   2.005  -9.034
  265    HG1  THR  33           HG1      THR  33   5.931   4.157  -7.985
  266   1HG2  THR  33          HG21      THR  33   4.037   3.052  -9.413
  267   2HG2  THR  33          HG22      THR  33   3.466   1.761  -8.319
  268   3HG2  THR  33          HG23      THR  33   3.773   3.404  -7.703
  269    H    LYS  34           H        LYS  34   7.584   2.312  -6.207
  270    HA   LYS  34           HA       LYS  34   9.812   0.892  -7.394
  271   1HB   LYS  34          HB2       LYS  34   9.692   2.698  -4.940
  272   2HB   LYS  34          HB3       LYS  34  11.168   2.217  -5.790
  273   1HG   LYS  34          HG2       LYS  34  10.489   3.420  -7.791
  274   2HG   LYS  34          HG3       LYS  34   8.899   3.795  -7.097
  275   1HD   LYS  34          HD2       LYS  34   9.992   5.027  -5.237
  276   2HD   LYS  34          HD3       LYS  34  11.580   4.714  -5.970
  277   1HE   LYS  34          HE2       LYS  34  10.912   5.983  -7.993
  278   2HE   LYS  34          HE3       LYS  34   9.285   6.225  -7.330
  279   1HZ   LYS  34          HZ1       LYS  34  10.252   7.504  -5.552
  280   2HZ   LYS  34          HZ2       LYS  34  11.770   7.281  -6.151
  281   3HZ   LYS  34          HZ3       LYS  34  10.664   8.146  -7.007
  282    H    PHE  35           H        PHE  35   8.113   0.663  -4.317
  283    HA   PHE  35           HA       PHE  35  10.206  -0.790  -2.932
  284   1HB   PHE  35          HB2       PHE  35   8.388   0.828  -1.921
  285   2HB   PHE  35          HB3       PHE  35   7.261  -0.532  -2.130
  286    HD1  PHE  35           HD1      PHE  35  10.670   0.192  -0.652
  287    HD2  PHE  35           HD2      PHE  35   6.943  -1.975  -0.352
  288    HE1  PHE  35           HE1      PHE  35  11.501  -0.972   1.363
  289    HE2  PHE  35           HE2      PHE  35   7.753  -3.089   1.647
  290    HZ   PHE  35           HZ       PHE  35  10.143  -2.744   2.413
  291    H    LEU  36           H        LEU  36   7.402  -1.538  -4.856
  292    HA   LEU  36           HA       LEU  36   6.977  -4.253  -4.599
  293   1HB   LEU  36          HB2       LEU  36   7.629  -2.657  -7.112
  294   2HB   LEU  36          HB3       LEU  36   6.864  -4.188  -7.143
  295    HG   LEU  36           HG       LEU  36   5.600  -1.659  -6.288
  296   1HD1  LEU  36          HD11      LEU  36   4.764  -4.020  -8.014
  297   2HD1  LEU  36          HD12      LEU  36   3.913  -2.470  -7.873
  298   3HD1  LEU  36          HD13      LEU  36   5.517  -2.539  -8.628
  299   1HD2  LEU  36          HD21      LEU  36   3.668  -3.010  -5.458
  300   2HD2  LEU  36          HD22      LEU  36   4.702  -4.444  -5.470
  301   3HD2  LEU  36          HD23      LEU  36   5.069  -3.065  -4.402
  302    H    GLU  37           H        GLU  37   9.961  -2.761  -5.984
  303    HA   GLU  37           HA       GLU  37  11.240  -5.334  -6.438
  304   1HB   GLU  37          HB2       GLU  37  12.242  -2.447  -6.323
  305   2HB   GLU  37          HB3       GLU  37  13.277  -3.825  -6.619
  306   1HG   GLU  37          HG2       GLU  37  11.872  -4.436  -8.608
  307   2HG   GLU  37          HG3       GLU  37  10.874  -2.998  -8.319
  308    H    GLU  38           H        GLU  38  11.645  -2.741  -4.037
  309    HA   GLU  38           HA       GLU  38  13.850  -3.832  -2.694
  310   1HB   GLU  38          HB2       GLU  38  12.857  -1.445  -2.700
  311   2HB   GLU  38          HB3       GLU  38  11.750  -2.023  -1.458
  312   1HG   GLU  38          HG2       GLU  38  13.727  -2.581  -0.024
  313   2HG   GLU  38          HG3       GLU  38  14.794  -1.946  -1.290
  314    H    HIS  39           HN       HIS  39  10.410  -4.193  -2.059
  315    HA   HIS  39           HA       HIS  39  10.311  -4.832   0.557
  316   1HB   HIS  39          HB2       HIS  39   8.390  -4.387  -0.914
  317   2HB   HIS  39          HB3       HIS  39   8.604  -5.962  -1.694
  318    HD1  HIS  39           HD1      HIS  39   6.442  -7.285  -0.834
  319    HD2  HIS  39           HD2      HIS  39   8.539  -5.093   2.117
  320    HE1  HIS  39           HE1      HIS  39   5.153  -7.501   1.293
  321    HA   PRO  40           HA       PRO  40  12.268  -8.965   0.834
  322   1HB   PRO  40          HB2       PRO  40  10.794  -8.786   3.478
  323   2HB   PRO  40          HB3       PRO  40  12.409  -9.476   3.145
  324   1HG   PRO  40          HG2       PRO  40  12.250  -6.982   4.164
  325   2HG   PRO  40          HG3       PRO  40  13.323  -7.266   2.761
  326   1HD   PRO  40          HD2       PRO  40  10.505  -6.170   2.752
  327   2HD   PRO  40          HD3       PRO  40  11.966  -5.517   1.935
  328    H    GLY  41           H        GLY  41   8.847  -8.247   1.703
  329   1HA   GLY  41          HA1       GLY  41   7.807 -10.903   1.302
  330   2HA   GLY  41          HA2       GLY  41   6.913  -9.412   1.302
  331    H    GLY  42           H        GLY  42   9.055  -8.596  -1.013
  332   1HA   GLY  42          HA1       GLY  42   9.073  -8.585  -3.298
  333   2HA   GLY  42          HA2       GLY  42   8.200 -10.132  -3.284
  334    H    GLU  43           H        GLU  43   7.633  -8.504  -5.226
  335    HA   GLU  43           HA       GLU  43   5.665  -6.500  -4.761
  336   1HB   GLU  43          HB2       GLU  43   6.964  -6.303  -6.657
  337   2HB   GLU  43          HB3       GLU  43   6.768  -7.932  -7.197
  338   1HG   GLU  43          HG2       GLU  43   4.500  -7.709  -7.800
  339   2HG   GLU  43          HG3       GLU  43   4.440  -6.032  -7.234
  340    H    GLU  44           H        GLU  44   5.396  -9.909  -5.817
  341    HA   GLU  44           HA       GLU  44   2.837 -10.016  -6.650
  342   1HB   GLU  44          HB2       GLU  44   4.215 -12.153  -4.956
  343   2HB   GLU  44          HB3       GLU  44   2.806 -12.391  -6.000
  344   1HG   GLU  44          HG2       GLU  44   4.176 -11.602  -7.961
  345   2HG   GLU  44          HG3       GLU  44   5.607 -11.571  -6.912
  346    H    VAL  45           H        VAL  45   3.734 -10.498  -3.215
  347    HA   VAL  45           HA       VAL  45   1.078 -10.765  -2.238
  348    HB   VAL  45           HB       VAL  45   1.977 -10.603  -0.079
  349   1HG1  VAL  45          HG11      VAL  45   3.051 -12.446  -1.462
  350   2HG1  VAL  45          HG12      VAL  45   4.462 -11.362  -1.640
  351   3HG1  VAL  45          HG13      VAL  45   3.982 -11.916  -0.040
  352   1HG2  VAL  45          HG21      VAL  45   4.316  -8.981  -1.161
  353   2HG2  VAL  45          HG22      VAL  45   3.045  -8.386  -0.071
  354   3HG2  VAL  45          HG23      VAL  45   4.189  -9.604   0.490
  355    H    LEU  46           H        LEU  46   3.023  -7.865  -2.905
  356    HA   LEU  46           HA       LEU  46   1.220  -6.072  -1.499
  357   1HB   LEU  46          HB2       LEU  46   3.325  -5.501  -3.624
  358   2HB   LEU  46          HB3       LEU  46   2.486  -4.309  -2.643
  359    HG   LEU  46           HG       LEU  46   4.299  -6.506  -1.534
  360   1HD1  LEU  46          HD11      LEU  46   4.827  -3.587  -2.158
  361   2HD1  LEU  46          HD12      LEU  46   5.847  -4.544  -1.081
  362   3HD1  LEU  46          HD13      LEU  46   5.664  -5.019  -2.775
  363   1HD2  LEU  46          HD21      LEU  46   2.870  -4.192  -0.181
  364   2HD2  LEU  46          HD22      LEU  46   2.742  -5.919   0.180
  365   3HD2  LEU  46          HD23      LEU  46   4.236  -5.047   0.539
  366    H    ARG  47           H        ARG  47   1.549  -7.387  -4.799
  367    HA   ARG  47           HA       ARG  47  -0.428  -5.542  -5.905
  368   1HB   ARG  47          HB2       ARG  47   1.089  -7.911  -6.950
  369   2HB   ARG  47          HB3       ARG  47  -0.415  -7.433  -7.764
  370   1HG   ARG  47          HG2       ARG  47   0.412  -5.150  -8.098
  371   2HG   ARG  47          HG3       ARG  47   1.854  -5.510  -7.136
  372   1HD   ARG  47          HD2       ARG  47   2.427  -5.541  -9.475
  373   2HD   ARG  47          HD3       ARG  47   2.591  -7.162  -8.770
  374    HE   ARG  47           HE       ARG  47   0.019  -7.003  -9.931
  375   1HH1  ARG  47          HH22      ARG  47   3.448  -7.026 -10.870
  376   2HH1  ARG  47          HH21      ARG  47   3.183  -7.793 -12.398
  377   1HH2  ARG  47          HH11      ARG  47  -0.364  -7.962 -11.982
  378   2HH2  ARG  47          HH12      ARG  47   0.962  -8.376 -13.037
  379    H    GLU  48           H        GLU  48  -0.418  -8.879  -4.722
  380    HA   GLU  48           HA       GLU  48  -3.090  -9.585  -5.210
  381   1HB   GLU  48          HB2       GLU  48  -1.202 -11.061  -4.508
  382   2HB   GLU  48          HB3       GLU  48  -1.204 -10.274  -2.936
  383   1HG   GLU  48          HG2       GLU  48  -2.384 -12.338  -2.642
  384   2HG   GLU  48          HG3       GLU  48  -3.688 -11.142  -2.758
  385    H    GLN  49           H        GLN  49  -1.634  -7.958  -2.334
  386    HA   GLN  49           HA       GLN  49  -4.230  -7.678  -0.998
  387   1HB   GLN  49          HB2       GLN  49  -1.348  -6.929  -0.426
  388   2HB   GLN  49          HB3       GLN  49  -2.648  -6.179   0.491
  389   1HG   GLN  49          HG2       GLN  49  -1.745  -8.143   1.608
  390   2HG   GLN  49          HG3       GLN  49  -3.482  -8.219   1.302
  391   1HE2  GLN  49          HE21      GLN  49  -4.319  -9.788  -0.228
  392   2HE2  GLN  49          HE22      GLN  49  -3.303 -11.118  -0.753
  393    H    ALA  50           H        ALA  50  -2.190  -5.670  -2.981
  394    HA   ALA  50           HA       ALA  50  -3.151  -3.146  -2.344
  395   1HB   ALA  50          HB1       ALA  50  -1.260  -3.191  -3.651
  396   2HB   ALA  50          HB2       ALA  50  -1.981  -4.289  -4.855
  397   3HB   ALA  50          HB3       ALA  50  -2.458  -2.590  -4.799
  398    H    GLY  51           H        GLY  51  -4.278  -1.661  -3.820
  399   1HA   GLY  51          HA1       GLY  51  -6.285  -0.826  -4.369
  400   2HA   GLY  51          HA2       GLY  51  -6.564  -2.232  -5.377
  401    H    GLY  52           H        GLY  52  -5.899  -1.770  -1.864
  402   1HA   GLY  52          HA1       GLY  52  -8.261  -0.867  -0.979
  403   2HA   GLY  52          HA2       GLY  52  -8.517  -2.628  -1.003
  404    H    ASP  53           H        ASP  53  -8.550  -2.801   1.036
  405    HA   ASP  53           HA       ASP  53  -6.730  -1.595   2.942
  406   1HB   ASP  53          HB2       ASP  53  -9.165  -1.941   3.384
  407   2HB   ASP  53          HB3       ASP  53  -8.844  -3.679   3.539
  408    H    ALA  54           H        ALA  54  -4.767  -2.260   3.359
  409    HA   ALA  54           HA       ALA  54  -4.261  -5.209   3.708
  410   1HB   ALA  54          HB1       ALA  54  -2.242  -3.162   2.733
  411   2HB   ALA  54          HB2       ALA  54  -2.044  -4.922   2.905
  412   3HB   ALA  54          HB3       ALA  54  -3.136  -4.262   1.671
  413    H    THR  55           H        THR  55  -5.206  -2.826   5.503
  414    HA   THR  55           HA       THR  55  -3.031  -2.165   7.196
  415    HB   THR  55           HB       THR  55  -5.969  -2.341   8.031
  416    HG1  THR  55           HG1      THR  55  -5.940  -1.167   6.197
  417   1HG2  THR  55          HG21      THR  55  -3.638  -0.552   8.855
  418   2HG2  THR  55          HG22      THR  55  -5.307  -0.424   9.463
  419   3HG2  THR  55          HG23      THR  55  -4.333  -1.858   9.843
  420    H    GLU  56           H        GLU  56  -5.650  -4.656   7.564
  421    HA   GLU  56           HA       GLU  56  -4.710  -5.875   9.904
  422   1HB   GLU  56          HB2       GLU  56  -6.184  -7.114   7.516
  423   2HB   GLU  56          HB3       GLU  56  -6.037  -7.801   9.137
  424   1HG   GLU  56          HG2       GLU  56  -7.226  -5.775  10.046
  425   2HG   GLU  56          HG3       GLU  56  -7.511  -5.234   8.380
  426    H    ASN  57           H        ASN  57  -4.205  -6.720   6.464
  427    HA   ASN  57           HA       ASN  57  -2.508  -8.872   6.826
  428   1HB   ASN  57          HB2       ASN  57  -3.526  -7.444   4.657
  429   2HB   ASN  57          HB3       ASN  57  -1.805  -7.185   4.467
  430   1HD2  ASN  57          HD21      ASN  57  -4.306  -9.716   5.097
  431   2HD2  ASN  57          HD22      ASN  57  -3.478 -10.980   4.200
  432    H    PHE  58           H        PHE  58  -1.559  -5.443   6.604
  433    HA   PHE  58           HA       PHE  58   1.244  -5.788   6.811
  434   1HB   PHE  58          HB2       PHE  58   0.072  -3.741   6.073
  435   2HB   PHE  58          HB3       PHE  58  -0.537  -3.492   7.701
  436    HD1  PHE  58           HD1      PHE  58   0.503  -1.673   8.736
  437    HD2  PHE  58           HD2      PHE  58   2.803  -4.122   6.035
  438    HE1  PHE  58           HE1      PHE  58   2.353  -0.024   8.785
  439    HE2  PHE  58           HE2      PHE  58   4.707  -2.549   6.239
  440    HZ   PHE  58           HZ       PHE  58   4.484  -0.492   7.606
  441    H    GLU  59           H        GLU  59  -1.221  -5.179   9.394
  442    HA   GLU  59           HA       GLU  59   0.639  -5.164  11.575
  443   1HB   GLU  59          HB2       GLU  59  -2.363  -5.734  11.377
  444   2HB   GLU  59          HB3       GLU  59  -1.495  -5.669  12.914
  445   1HG   GLU  59          HG2       GLU  59  -1.499  -3.338  10.959
  446   2HG   GLU  59          HG3       GLU  59  -2.737  -3.569  12.200
  447    H    ASP  60           H        ASP  60  -1.699  -7.591  10.640
  448    HA   ASP  60           HA       ASP  60  -1.349  -9.808  12.018
  449   1HB   ASP  60          HB2       ASP  60  -2.888  -9.515  10.073
  450   2HB   ASP  60          HB3       ASP  60  -1.509  -9.566   8.985
  451    H    HIS  61           H        HIS  61   0.637  -9.174   9.096
  452    HA   HIS  61           HA       HIS  61   2.363 -11.425   9.491
  453   1HB   HIS  61          HB2       HIS  61   2.694  -8.887   7.863
  454   2HB   HIS  61          HB3       HIS  61   3.741 -10.306   7.754
  455    HD1  HIS  61           HD1      HIS  61   0.115 -11.394   8.044
  456    HD2  HIS  61           HD2      HIS  61   2.930 -10.215   5.150
  457    HE1  HIS  61           HE1      HIS  61  -0.793 -12.141   5.804
  458    H    GLY  62           H        GLY  62   2.475  -8.198  10.883
  459   1HA   GLY  62          HA1       GLY  62   3.932  -7.393  12.480
  460   2HA   GLY  62          HA2       GLY  62   5.034  -8.757  12.240
  461    H    HIS  63           HN       HIS  63   4.931  -5.509  11.905
  462    HA   HIS  63           HA       HIS  63   6.975  -5.466   9.795
  463   1HB   HIS  63          HB2       HIS  63   4.275  -4.087   9.649
  464   2HB   HIS  63          HB3       HIS  63   5.706  -3.347   8.930
  465    HD1  HIS  63           HD1      HIS  63   3.367  -6.299   8.338
  466    HD2  HIS  63           HD2      HIS  63   6.824  -4.445   6.834
  467    HE1  HIS  63           HE1      HIS  63   3.695  -7.200   5.970
  468    H    SER  64           H        SER  64   8.527  -4.008  10.223
  469    HA   SER  64           HA       SER  64   8.631  -3.205  12.960
  470   1HB   SER  64          HB2       SER  64  10.557  -4.076  11.580
  471   2HB   SER  64          HB3       SER  64  10.629  -2.510  10.763
  472    HG   SER  64           HG       SER  64  11.762  -1.885  12.468
  473    H    THR  65           H        THR  65   9.676  -1.091  13.543
  474    HA   THR  65           HA       THR  65   8.043   1.227  13.284
  475    HB   THR  65           HB       THR  65  10.501   2.158  13.980
  476    HG1  THR  65           HG1      THR  65  11.629   0.154  13.432
  477   1HG2  THR  65          HG21      THR  65   8.889   0.227  15.709
  478   2HG2  THR  65          HG22      THR  65  10.078   1.408  16.298
  479   3HG2  THR  65          HG23      THR  65   8.582   1.970  15.527
  480    H    ASP  66           H        ASP  66  10.930   0.069  11.652
  481    HA   ASP  66           HA       ASP  66  11.585   2.260  10.101
  482   1HB   ASP  66          HB2       ASP  66  12.041  -0.693   9.446
  483   2HB   ASP  66          HB3       ASP  66  13.063   0.681   9.016
  484    H    ALA  67           H        ALA  67   9.611  -0.600   9.345
  485    HA   ALA  67           HA       ALA  67   8.990   0.026   6.657
  486   1HB   ALA  67          HB1       ALA  67   7.575  -1.770   8.679
  487   2HB   ALA  67          HB2       ALA  67   7.246  -1.741   6.942
  488   3HB   ALA  67          HB3       ALA  67   8.835  -2.266   7.537
  489    H    ARG  68           H        ARG  68   7.499   0.578   9.821
  490    HA   ARG  68           HA       ARG  68   5.154   1.939   9.072
  491   1HB   ARG  68          HB2       ARG  68   6.634   1.414  11.454
  492   2HB   ARG  68          HB3       ARG  68   6.441   3.164  11.418
  493   1HG   ARG  68          HG2       ARG  68   4.524   2.431  12.544
  494   2HG   ARG  68          HG3       ARG  68   3.946   2.675  10.888
  495   1HD   ARG  68          HD2       ARG  68   4.672   0.095  10.634
  496   2HD   ARG  68          HD3       ARG  68   4.581   0.119  12.398
  497    HE   ARG  68           HE       ARG  68   2.230   1.262  11.084
  498   1HH1  ARG  68          HH22      ARG  68   3.643  -1.876  12.193
  499   2HH1  ARG  68          HH21      ARG  68   2.006  -2.527  12.404
  500   1HH2  ARG  68          HH11      ARG  68   0.143   0.081  11.146
  501   2HH2  ARG  68          HH12      ARG  68   0.276  -1.534  11.829
  502    H    GLU  69           H        GLU  69   8.344   3.422   9.873
  503    HA   GLU  69           HA       GLU  69   7.694   6.041   9.171
  504   1HB   GLU  69          HB2       GLU  69   9.852   4.863  10.279
  505   2HB   GLU  69          HB3       GLU  69  10.488   5.029   8.642
  506   1HG   GLU  69          HG2       GLU  69  11.117   6.945  10.032
  507   2HG   GLU  69          HG3       GLU  69   9.994   7.494   8.778
  508    H    LEU  70           H        LEU  70   9.176   3.506   7.157
  509    HA   LEU  70           HA       LEU  70   9.246   4.853   4.732
  510   1HB   LEU  70          HB2       LEU  70   9.020   1.974   5.603
  511   2HB   LEU  70          HB3       LEU  70   8.468   2.238   4.021
  512    HG   LEU  70           HG       LEU  70  10.648   1.666   3.652
  513   1HD1  LEU  70          HD11      LEU  70  11.686   3.473   2.601
  514   2HD1  LEU  70          HD12      LEU  70   9.992   4.010   2.701
  515   3HD1  LEU  70          HD13      LEU  70  11.191   4.634   3.844
  516   1HD2  LEU  70          HD21      LEU  70  11.445   1.622   5.929
  517   2HD2  LEU  70          HD22      LEU  70  12.601   2.514   4.924
  518   3HD2  LEU  70          HD23      LEU  70  11.498   3.402   6.000
  519    H    SER  71           H        SER  71   6.437   3.158   6.155
  520    HA   SER  71           HA       SER  71   4.806   3.561   3.838
  521   1HB   SER  71          HB2       SER  71   3.054   2.632   5.069
  522   2HB   SER  71          HB3       SER  71   4.476   1.886   5.775
  523    HG   SER  71           HG       SER  71   4.338   3.614   7.392
  524    H    LYS  72           H        LYS  72   5.669   5.700   6.505
  525    HA   LYS  72           HA       LYS  72   3.513   7.599   6.067
  526   1HB   LYS  72          HB2       LYS  72   6.330   8.296   7.002
  527   2HB   LYS  72          HB3       LYS  72   4.835   9.200   7.242
  528   1HG   LYS  72          HG2       LYS  72   3.956   7.292   8.593
  529   2HG   LYS  72          HG3       LYS  72   5.521   6.490   8.424
  530   1HD   LYS  72          HD2       LYS  72   6.637   8.528   9.347
  531   2HD   LYS  72          HD3       LYS  72   5.050   9.192   9.770
  532   1HE   LYS  72          HE2       LYS  72   4.652   7.393  11.380
  533   2HE   LYS  72          HE3       LYS  72   6.000   6.453  10.727
  534   1HZ   LYS  72          HZ1       LYS  72   7.271   8.644  11.419
  535   2HZ   LYS  72          HZ2       LYS  72   6.181   8.536  12.680
  536   3HZ   LYS  72          HZ3       LYS  72   7.247   7.315  12.227
  537    H    THR  73           H        THR  73   6.873   7.356   4.926
  538    HA   THR  73           HA       THR  73   6.518   9.612   3.150
  539    HB   THR  73           HB       THR  73   8.754   8.889   4.043
  540    HG1  THR  73           HG1      THR  73   8.213   9.534   1.345
  541   1HG2  THR  73          HG21      THR  73   8.873   6.555   3.356
  542   2HG2  THR  73          HG22      THR  73   8.704   6.998   1.643
  543   3HG2  THR  73          HG23      THR  73  10.134   7.494   2.561
  544    H    PHE  74           H        PHE  74   5.659   6.259   2.770
  545    HA   PHE  74           HA       PHE  74   5.311   6.469  -0.141
  546   1HB   PHE  74          HB2       PHE  74   4.158   4.468   1.804
  547   2HB   PHE  74          HB3       PHE  74   4.195   4.332   0.057
  548    HD1  PHE  74           HD1      PHE  74   7.324   5.471   0.158
  549    HD2  PHE  74           HD2      PHE  74   5.052   2.139   1.671
  550    HE1  PHE  74           HE1      PHE  74   9.376   4.100   0.233
  551    HE2  PHE  74           HE2      PHE  74   7.082   0.719   1.552
  552    HZ   PHE  74           HZ       PHE  74   9.279   1.758   1.082
  553    H    ILE  75           H        ILE  75   3.474   7.641   2.568
  554    HA   ILE  75           HA       ILE  75   0.905   7.291   1.478
  555    HB   ILE  75           HB       ILE  75   1.966   9.463   3.278
  556   1HG1  ILE  75          HG12      ILE  75  -0.193   7.323   3.662
  557   2HG1  ILE  75          HG13      ILE  75   1.510   7.019   3.902
  558   1HG2  ILE  75          HG21      ILE  75  -0.374  10.230   3.631
  559   2HG2  ILE  75          HG22      ILE  75   0.185  10.592   2.010
  560   3HG2  ILE  75          HG23      ILE  75  -0.903   9.210   2.284
  561   1HD1  ILE  75          HD11      ILE  75   1.561   8.883   5.621
  562   2HD1  ILE  75          HD12      ILE  75  -0.208   8.976   5.482
  563   3HD1  ILE  75          HD13      ILE  75   0.553   7.488   6.062
  564    H    ILE  76           H        ILE  76  -0.273   8.160  -0.053
  565    HA   ILE  76           HA       ILE  76   0.820  10.410  -1.741
  566    HB   ILE  76           HB       ILE  76  -0.307   9.073  -3.630
  567   1HG1  ILE  76          HG12      ILE  76   0.133   6.668  -1.842
  568   2HG1  ILE  76          HG13      ILE  76  -1.415   7.520  -1.766
  569   1HG2  ILE  76          HG21      ILE  76   2.167   7.870  -2.339
  570   2HG2  ILE  76          HG22      ILE  76   1.681   7.745  -4.041
  571   3HG2  ILE  76          HG23      ILE  76   2.130   9.312  -3.366
  572   1HD1  ILE  76          HD11      ILE  76  -1.064   5.486  -3.397
  573   2HD1  ILE  76          HD12      ILE  76  -2.109   6.849  -3.802
  574   3HD1  ILE  76          HD13      ILE  76  -0.470   6.768  -4.487
  575    H    GLY  77           H        GLY  77  -1.784   9.450   0.225
  576   1HA   GLY  77          HA1       GLY  77  -3.920  11.203  -0.697
  577   2HA   GLY  77          HA2       GLY  77  -3.902   9.669  -1.551
  578    H    GLU  78           H        GLU  78  -6.042   9.913  -0.135
  579    HA   GLU  78           HA       GLU  78  -5.635   8.122   2.119
  580   1HB   GLU  78          HB2       GLU  78  -7.395  10.633   2.271
  581   2HB   GLU  78          HB3       GLU  78  -6.973   9.556   3.625
  582   1HG   GLU  78          HG2       GLU  78  -4.469  10.226   3.107
  583   2HG   GLU  78          HG3       GLU  78  -5.169  11.647   2.317
  584    H    LEU  79           H        LEU  79  -7.548   7.062   2.720
  585    HA   LEU  79           HA       LEU  79  -9.265   6.429   0.489
  586   1HB   LEU  79          HB2       LEU  79  -8.712   4.742   2.226
  587   2HB   LEU  79          HB3       LEU  79  -9.526   5.746   3.444
  588    HG   LEU  79           HG       LEU  79 -11.637   5.569   2.167
  589   1HD1  LEU  79          HD11      LEU  79 -10.952   5.061  -0.104
  590   2HD1  LEU  79          HD12      LEU  79 -10.058   3.626   0.460
  591   3HD1  LEU  79          HD13      LEU  79 -11.821   3.649   0.521
  592   1HD2  LEU  79          HD21      LEU  79 -10.625   2.777   2.767
  593   2HD2  LEU  79          HD22      LEU  79 -11.063   3.942   4.020
  594   3HD2  LEU  79          HD23      LEU  79 -12.278   3.434   2.816
  595    H    HIS  80           H        HIS  80 -11.058   7.439  -0.125
  596    HA   HIS  80           HA       HIS  80 -11.661   9.883   0.885
  597   1HB   HIS  80          HB2       HIS  80 -12.124   8.809  -1.366
  598   2HB   HIS  80          HB3       HIS  80 -13.562   8.062  -0.677
  599    HD1  HIS  80           HD1      HIS  80 -15.651   9.639  -1.184
  600    HD2  HIS  80           HD2      HIS  80 -11.913  11.565  -0.894
  601    HE1  HIS  80           HE1      HIS  80 -16.119  12.113  -1.508
  602    HA   PRO  81           HA       PRO  81 -14.327   9.085   4.166
  603   1HB   PRO  81          HB2       PRO  81 -16.213  11.371   3.382
  604   2HB   PRO  81          HB3       PRO  81 -15.464  11.124   4.955
  605   1HG   PRO  81          HG2       PRO  81 -14.459  12.987   3.182
  606   2HG   PRO  81          HG3       PRO  81 -13.270  11.874   3.936
  607   1HD   PRO  81          HD2       PRO  81 -14.753  11.497   1.315
  608   2HD   PRO  81          HD3       PRO  81 -13.002  11.538   1.569
  609    H    ASP  82           H        ASP  82 -16.182   9.656   1.297
  610    HA   ASP  82           HA       ASP  82 -18.596   8.671   2.223
  611   1HB   ASP  82          HB2       ASP  82 -18.124   9.921   0.064
  612   2HB   ASP  82          HB3       ASP  82 -17.435   8.415  -0.593
  613    H    ASP  83           H        ASP  83 -15.677   7.066   2.011
  614    HA   ASP  83           HA       ASP  83 -16.407   4.518   0.880
  615   1HB   ASP  83          HB2       ASP  83 -14.245   6.487   0.925
  616   2HB   ASP  83          HB3       ASP  83 -13.634   5.038   1.641
  617    H    ARG  84           H        ARG  84 -16.015   5.999   4.085
  618    HA   ARG  84           HA       ARG  84 -15.748   3.416   5.384
  619   1HB   ARG  84          HB2       ARG  84 -13.526   3.750   6.258
  620   2HB   ARG  84          HB3       ARG  84 -13.521   3.490   4.557
  621   1HG   ARG  84          HG2       ARG  84 -11.877   5.298   5.527
  622   2HG   ARG  84          HG3       ARG  84 -12.821   5.737   4.077
  623   1HD   ARG  84          HD2       ARG  84 -14.406   6.843   5.289
  624   2HD   ARG  84          HD3       ARG  84 -13.707   6.290   6.904
  625    HE   ARG  84           HE       ARG  84 -11.936   8.033   5.589
  626   1HH1  ARG  84          HH22      ARG  84 -15.294   7.750   6.814
  627   2HH1  ARG  84          HH21      ARG  84 -15.379   9.356   7.458
  628   1HH2  ARG  84          HH11      ARG  84 -12.046  10.256   6.474
  629   2HH2  ARG  84          HH12      ARG  84 -13.496  10.832   7.238
  630    HHA  HEM 201           HGM      HEM 201   9.316  -8.909   5.735
  631    HHB  HEM 201           HDM      HEM 201   9.025  -2.555   4.753
  632    HHC  HEM 201           HAM      HEM 201   2.860  -3.132   3.072
  633    HHD  HEM 201           HBM      HEM 201   3.482  -9.574   3.069
  634   1HMA  HEM 201          HM81      HEM 201  12.119  -4.419   5.957
  635   2HMA  HEM 201          HM82      HEM 201  11.271  -3.244   4.960
  636   3HMA  HEM 201          HM83      HEM 201  10.897  -3.373   6.694
  637   1HAA  HEM 201          HP71      HEM 201  11.088  -7.982   6.676
  638   2HAA  HEM 201          HP72      HEM 201  11.960  -6.394   6.888
  639   1HBA  HEM 201          HP73      HEM 201  11.079  -7.279   9.008
  640   2HBA  HEM 201          HP74      HEM 201   9.381  -7.165   8.318
  641   1HMB  HEM 201          HM11      HEM 201   8.159  -0.472   3.247
  642   2HMB  HEM 201          HM12      HEM 201   6.700   0.353   3.840
  643   3HMB  HEM 201          HM13      HEM 201   7.774  -0.446   4.968
  644    HAB  HEM 201          HT2A      HEM 201   4.015  -1.421   1.785
  645   1HBB  HEM 201          HV2C      HEM 201   4.517   0.824   3.621
  646   2HBB  HEM 201          HV2T      HEM 201   2.856   0.321   2.874
  647   1HMC  HEM 201          HM31      HEM 201   0.836  -3.955   2.973
  648   2HMC  HEM 201          HM32      HEM 201   0.238  -5.320   1.999
  649   3HMC  HEM 201          HM33      HEM 201   0.107  -5.352   3.774
  650    HAC  HEM 201          HT4A      HEM 201   0.828  -8.588   3.883
  651   1HBC  HEM 201          HV4C      HEM 201   0.878  -8.330   0.861
  652   2HBC  HEM 201          HV4T      HEM 201   0.536  -9.846   1.892
  653   1HMD  HEM 201          HM51      HEM 201   5.383 -11.816   2.582
  654   2HMD  HEM 201          HM52      HEM 201   5.704 -12.485   4.194
  655   3HMD  HEM 201          HM53      HEM 201   4.197 -11.637   3.888
  656   1HAD  HEM 201          HP61      HEM 201   7.963 -12.159   4.249
  657   2HAD  HEM 201          HP62      HEM 201   9.143 -10.968   4.952
  658   1HBD  HEM 201          HP63      HEM 201   7.884 -11.089   7.110
  659   2HBD  HEM 201          HP64      HEM 201   6.863 -12.419   6.366
  Start of MODEL   17
    1   1H    ALA   3          H1        ALA   3  -2.679  20.489   1.206
    2   2H    ALA   3          H2        ALA   3  -3.979  20.883   0.305
    3   3H    ALA   3          H3        ALA   3  -3.578  21.841   1.603
    4    HA   ALA   3           HA       ALA   3  -4.117  20.151   3.130
    5   1HB   ALA   3          HB1       ALA   3  -6.500  19.752   2.653
    6   2HB   ALA   3          HB2       ALA   3  -6.077  21.400   2.171
    7   3HB   ALA   3          HB3       ALA   3  -6.250  20.133   0.937
    8    H    VAL   4           H        VAL   4  -5.594  17.847   2.867
    9    HA   VAL   4           HA       VAL   4  -3.823  15.839   1.839
   10    HB   VAL   4           HB       VAL   4  -5.752  14.357   2.214
   11   1HG1  VAL   4          HG11      VAL   4  -5.848  14.504   4.590
   12   2HG1  VAL   4          HG12      VAL   4  -4.211  14.855   4.024
   13   3HG1  VAL   4          HG13      VAL   4  -5.265  16.189   4.566
   14   1HG2  VAL   4          HG21      VAL   4  -7.637  15.785   1.623
   15   2HG2  VAL   4          HG22      VAL   4  -7.807  15.174   3.274
   16   3HG2  VAL   4          HG23      VAL   4  -7.316  16.848   3.012
   17    H    LYS   5           H        LYS   5  -5.101  14.101   0.252
   18    HA   LYS   5           HA       LYS   5  -5.696  15.636  -2.287
   19   1HB   LYS   5          HB2       LYS   5  -4.390  12.956  -1.672
   20   2HB   LYS   5          HB3       LYS   5  -5.286  13.194  -3.168
   21   1HG   LYS   5          HG2       LYS   5  -2.936  13.414  -3.502
   22   2HG   LYS   5          HG3       LYS   5  -3.790  14.890  -3.931
   23   1HD   LYS   5          HD2       LYS   5  -2.662  14.665  -1.131
   24   2HD   LYS   5          HD3       LYS   5  -1.476  14.740  -2.418
   25   1HE   LYS   5          HE2       LYS   5  -3.686  16.820  -2.023
   26   2HE   LYS   5          HE3       LYS   5  -2.033  16.982  -1.427
   27   1HZ   LYS   5          HZ1       LYS   5  -2.331  18.099  -3.509
   28   2HZ   LYS   5          HZ2       LYS   5  -1.275  16.854  -3.711
   29   3HZ   LYS   5          HZ3       LYS   5  -2.821  16.723  -4.255
   30    H    TYR   6           H        TYR   6  -6.240  12.730  -0.378
   31    HA   TYR   6           HA       TYR   6  -7.723  11.209  -0.276
   32   1HB   TYR   6          HB2       TYR   6  -9.971  13.172  -0.932
   33   2HB   TYR   6          HB3       TYR   6  -9.963  11.558  -0.273
   34    HD1  TYR   6           HD1      TYR   6  -7.447  13.139   1.624
   35    HD2  TYR   6           HD2      TYR   6 -11.643  12.832   1.144
   36    HE1  TYR   6           HE1      TYR   6  -7.611  12.134   3.830
   37    HE2  TYR   6           HE2      TYR   6 -11.616  11.056   2.919
   38    HH   TYR   6           HH       TYR   6 -10.058   9.748   4.071
   39    H    TYR   7           H        TYR   7  -8.668   9.749  -1.253
   40    HA   TYR   7           HA       TYR   7  -8.895   9.608  -4.180
   41   1HB   TYR   7          HB2       TYR   7  -6.912   8.800  -2.121
   42   2HB   TYR   7          HB3       TYR   7  -7.406   7.482  -2.997
   43    HD1  TYR   7           HD1      TYR   7  -7.299  10.500  -5.190
   44    HD2  TYR   7           HD2      TYR   7  -4.768   7.655  -3.156
   45    HE1  TYR   7           HE1      TYR   7  -5.329  11.750  -5.886
   46    HE2  TYR   7           HE2      TYR   7  -2.787   8.901  -3.935
   47    HH   TYR   7           HH       TYR   7  -2.225  11.108  -4.332
   48    H    THR   8           H        THR   8 -10.380   8.225  -4.794
   49    HA   THR   8           HA       THR   8 -12.254   7.186  -2.772
   50    HB   THR   8           HB       THR   8 -13.585   6.809  -4.932
   51    HG1  THR   8           HG1      THR   8 -12.654   7.949  -6.746
   52   1HG2  THR   8          HG21      THR   8 -12.541   9.631  -4.399
   53   2HG2  THR   8          HG22      THR   8 -14.022   9.221  -5.288
   54   3HG2  THR   8          HG23      THR   8 -13.899   8.837  -3.561
   55    H    LEU   9           H        LEU   9 -12.775   4.942  -2.604
   56    HA   LEU   9           HA       LEU   9 -10.846   2.990  -3.238
   57   1HB   LEU   9          HB2       LEU   9 -12.307   2.457  -1.688
   58   2HB   LEU   9          HB3       LEU   9 -13.738   2.945  -2.595
   59    HG   LEU   9           HG       LEU   9 -12.029   0.548  -3.448
   60   1HD1  LEU   9          HD11      LEU   9 -12.458   0.217  -1.061
   61   2HD1  LEU   9          HD12      LEU   9 -14.190   0.529  -1.305
   62   3HD1  LEU   9          HD13      LEU   9 -13.427  -0.911  -2.018
   63   1HD2  LEU   9          HD21      LEU   9 -14.221  -0.349  -4.226
   64   2HD2  LEU   9          HD22      LEU   9 -15.033   1.114  -3.639
   65   3HD2  LEU   9          HD23      LEU   9 -13.894   1.202  -4.995
   66    H    GLU  10           H        GLU  10 -13.453   4.183  -5.293
   67    HA   GLU  10           HA       GLU  10 -13.235   2.774  -7.658
   68   1HB   GLU  10          HB2       GLU  10 -14.622   4.718  -7.390
   69   2HB   GLU  10          HB3       GLU  10 -13.255   5.755  -7.056
   70   1HG   GLU  10          HG2       GLU  10 -14.168   6.200  -9.256
   71   2HG   GLU  10          HG3       GLU  10 -12.494   5.664  -9.351
   72    H    GLU  11           H        GLU  11 -11.068   5.458  -6.708
   73    HA   GLU  11           HA       GLU  11  -9.188   4.978  -8.860
   74   1HB   GLU  11          HB2       GLU  11  -9.017   6.683  -6.335
   75   2HB   GLU  11          HB3       GLU  11  -7.702   6.451  -7.443
   76   1HG   GLU  11          HG2       GLU  11 -10.477   7.573  -8.151
   77   2HG   GLU  11          HG3       GLU  11  -9.013   8.534  -7.923
   78    H    ILE  12           H        ILE  12  -9.369   4.053  -5.444
   79    HA   ILE  12           HA       ILE  12  -6.632   3.435  -5.485
   80    HB   ILE  12           HB       ILE  12  -8.744   2.432  -3.548
   81   1HG1  ILE  12          HG12      ILE  12  -6.781   4.725  -3.063
   82   2HG1  ILE  12          HG13      ILE  12  -8.284   5.061  -3.869
   83   1HG2  ILE  12          HG21      ILE  12  -6.521   1.192  -3.496
   84   2HG2  ILE  12          HG22      ILE  12  -5.762   2.712  -3.026
   85   3HG2  ILE  12          HG23      ILE  12  -6.989   1.970  -1.979
   86   1HD1  ILE  12          HD11      ILE  12  -9.537   4.137  -1.922
   87   2HD1  ILE  12          HD12      ILE  12  -7.980   3.867  -1.120
   88   3HD1  ILE  12          HD13      ILE  12  -8.508   5.512  -1.515
   89    H    GLN  13           H        GLU  13  -9.519   1.530  -6.068
   90    HA   GLN  13           HA       GLU  13  -8.219  -0.953  -6.658
   91   1HB   GLN  13          HB2       GLU  13 -10.905   0.310  -7.333
   92   2HB   GLN  13          HB3       GLU  13 -10.406  -1.150  -8.186
   93   1HG   GLN  13          HG2       GLU  13 -10.259  -1.015  -5.153
   94   2HG   GLN  13          HG3       GLU  13 -11.785  -1.370  -5.970
   95    H    LYS  14           H        LYS  14  -9.243   1.877  -8.636
   96    HA   LYS  14           HA       LYS  14  -8.455   1.061 -11.120
   97   1HB   LYS  14          HB2       LYS  14  -9.345   3.356 -10.271
   98   2HB   LYS  14          HB3       LYS  14  -7.666   3.764 -10.032
   99   1HG   LYS  14          HG2       LYS  14  -8.203   4.765 -12.024
  100   2HG   LYS  14          HG3       LYS  14  -7.288   3.338 -12.499
  101   1HD   LYS  14          HD2       LYS  14  -9.302   3.742 -13.921
  102   2HD   LYS  14          HD3       LYS  14  -9.337   2.165 -13.132
  103   1HE   LYS  14          HE2       LYS  14 -11.549   3.316 -13.138
  104   2HE   LYS  14          HE3       LYS  14 -11.017   2.884 -11.531
  105   1HZ   LYS  14          HZ1       LYS  14 -10.917   5.597 -12.712
  106   2HZ   LYS  14          HZ2       LYS  14 -11.950   4.998 -11.589
  107   3HZ   LYS  14          HZ3       LYS  14 -10.381   5.277 -11.206
  108    H    HIS  15           H        HIS  15  -6.365   1.879  -8.383
  109    HA   HIS  15           HA       HIS  15  -3.862   1.334  -9.893
  110   1HB   HIS  15          HB2       HIS  15  -4.679   2.812  -7.377
  111   2HB   HIS  15          HB3       HIS  15  -3.042   2.216  -7.617
  112    HD1  HIS  15           HD1      HIS  15  -1.502   3.386  -9.166
  113    HD2  HIS  15           HD2      HIS  15  -5.457   4.769  -9.319
  114    HE1  HIS  15           HE1      HIS  15  -1.489   5.516 -10.658
  115    H    ASN  16           H        ASN  16  -5.655  -0.803  -9.004
  116    HA   ASN  16           HA       ASN  16  -4.335  -2.237  -6.855
  117   1HB   ASN  16          HB2       ASN  16  -5.977  -3.971  -7.233
  118   2HB   ASN  16          HB3       ASN  16  -6.712  -2.384  -7.232
  119   1HD2  ASN  16          HD21      ASN  16  -8.466  -3.748  -8.242
  120   2HD2  ASN  16          HD22      ASN  16  -8.446  -4.010  -9.985
  121    H    ASN  17           H        ASN  17  -2.443  -1.779  -9.175
  122    HA   ASN  17           HA       ASN  17  -1.382  -4.362  -9.310
  123   1HB   ASN  17          HB2       ASN  17  -3.502  -4.039 -11.186
  124   2HB   ASN  17          HB3       ASN  17  -2.038  -3.771 -12.133
  125   1HD2  ASN  17          HD21      ASN  17  -3.389  -5.950  -9.616
  126   2HD2  ASN  17          HD22      ASN  17  -2.785  -7.439 -10.347
  127    H    SER  18           H        SER  18   0.114  -4.202 -11.530
  128    HA   SER  18           HA       SER  18   2.159  -2.313 -10.689
  129   1HB   SER  18          HB2       SER  18   3.425  -3.561 -12.507
  130   2HB   SER  18          HB3       SER  18   2.785  -4.589 -11.215
  131    HG   SER  18           HG       SER  18   1.617  -4.098 -13.755
  132    H    LYS  19           H        LYS  19   0.558  -0.591 -11.215
  133    HA   LYS  19           HA       LYS  19   1.060   0.554 -13.929
  134   1HB   LYS  19          HB2       LYS  19  -1.351   1.670 -13.294
  135   2HB   LYS  19          HB3       LYS  19  -1.105   0.231 -14.293
  136   1HG   LYS  19          HG2       LYS  19  -1.564  -1.280 -12.530
  137   2HG   LYS  19          HG3       LYS  19  -1.831   0.047 -11.374
  138   1HD   LYS  19          HD2       LYS  19  -3.797   0.751 -12.562
  139   2HD   LYS  19          HD3       LYS  19  -3.460  -0.334 -13.928
  140   1HE   LYS  19          HE2       LYS  19  -3.752  -2.317 -12.586
  141   2HE   LYS  19          HE3       LYS  19  -3.824  -1.364 -11.084
  142   1HZ   LYS  19          HZ1       LYS  19  -5.895  -1.542 -13.148
  143   2HZ   LYS  19          HZ2       LYS  19  -5.936  -2.067 -11.573
  144   3HZ   LYS  19          HZ3       LYS  19  -5.896  -0.454 -11.908
  145    H    SER  20           H        SER  20  -0.490   1.506 -10.903
  146    HA   SER  20           HA       SER  20   2.115   1.921  -9.905
  147   1HB   SER  20          HB2       SER  20   0.378   4.115  -8.844
  148   2HB   SER  20          HB3       SER  20   2.119   4.039  -9.056
  149    HG   SER  20           HG       SER  20   1.284   5.483 -10.538
  150    H    THR  21           H        THR  21   2.050   0.643  -8.040
  151    HA   THR  21           HA       THR  21  -0.525  -0.619  -7.506
  152    HB   THR  21           HB       THR  21   2.178  -1.164  -6.217
  153    HG1  THR  21           HG1      THR  21   2.288  -2.765  -7.856
  154   1HG2  THR  21          HG21      THR  21   0.253  -2.194  -5.027
  155   2HG2  THR  21          HG22      THR  21  -0.350  -2.849  -6.570
  156   3HG2  THR  21          HG23      THR  21   1.183  -3.434  -5.881
  157    H    TRP  22           H        TRP  22  -1.941   0.167  -6.081
  158    HA   TRP  22           HA       TRP  22  -1.086   1.915  -3.819
  159   1HB   TRP  22          HB2       TRP  22  -3.502   1.567  -5.539
  160   2HB   TRP  22          HB3       TRP  22  -3.734   2.240  -3.993
  161    HD1  TRP  22           HD1      TRP  22  -0.453   3.063  -5.766
  162    HE1  TRP  22           HE1      TRP  22  -0.406   5.264  -6.852
  163    HE3  TRP  22           HE3      TRP  22  -5.142   4.490  -4.561
  164    HZ2  TRP  22           HZ2      TRP  22  -2.459   7.375  -7.559
  165    HZ3  TRP  22           HZ3      TRP  22  -6.203   6.468  -5.632
  166    HH2  TRP  22           HH2      TRP  22  -4.908   7.872  -7.184
  167    H    LEU  23           H        LEU  23  -1.918   1.655  -1.705
  168    HA   LEU  23           HA       LEU  23  -3.903  -0.416  -1.224
  169   1HB   LEU  23          HB2       LEU  23  -2.154  -1.100   0.815
  170   2HB   LEU  23          HB3       LEU  23  -2.555  -2.038  -0.553
  171    HG   LEU  23           HG       LEU  23  -0.510  -1.039  -1.753
  172   1HD1  LEU  23          HD11      LEU  23   0.008  -0.345   1.175
  173   2HD1  LEU  23          HD12      LEU  23   1.178  -0.264  -0.135
  174   3HD1  LEU  23          HD13      LEU  23  -0.228   0.779  -0.189
  175   1HD2  LEU  23          HD21      LEU  23  -0.369  -2.856   0.674
  176   2HD2  LEU  23          HD22      LEU  23  -0.689  -3.362  -0.997
  177   3HD2  LEU  23          HD23      LEU  23   0.898  -2.724  -0.559
  178    H    ILE  24           H        ILE  24  -4.560  -0.473   1.087
  179    HA   ILE  24           HA       ILE  24  -4.388   2.192   2.367
  180    HB   ILE  24           HB       ILE  24  -6.377  -0.101   2.793
  181   1HG1  ILE  24          HG12      ILE  24  -6.587   1.341   0.571
  182   2HG1  ILE  24          HG13      ILE  24  -7.967   0.745   1.520
  183   1HG2  ILE  24          HG21      ILE  24  -7.699   1.466   4.165
  184   2HG2  ILE  24          HG22      ILE  24  -6.121   1.158   4.854
  185   3HG2  ILE  24          HG23      ILE  24  -6.399   2.677   4.009
  186   1HD1  ILE  24          HD11      ILE  24  -8.209   2.920   2.578
  187   2HD1  ILE  24          HD12      ILE  24  -6.778   3.543   1.718
  188   3HD1  ILE  24          HD13      ILE  24  -8.262   3.083   0.838
  189    H    LEU  25           H        LEU  25  -3.332   2.394   4.098
  190    HA   LEU  25           HA       LEU  25  -2.892   0.039   5.918
  191   1HB   LEU  25          HB2       LEU  25  -0.885   1.785   4.638
  192   2HB   LEU  25          HB3       LEU  25  -0.610   1.333   6.317
  193    HG   LEU  25           HG       LEU  25  -0.615  -0.990   5.764
  194   1HD1  LEU  25          HD11      LEU  25  -1.921  -1.527   4.010
  195   2HD1  LEU  25          HD12      LEU  25  -1.367  -0.162   2.986
  196   3HD1  LEU  25          HD13      LEU  25  -0.356  -1.604   3.235
  197   1HD2  LEU  25          HD21      LEU  25   1.506  -1.020   4.452
  198   2HD2  LEU  25          HD22      LEU  25   1.135   0.611   3.843
  199   3HD2  LEU  25          HD23      LEU  25   1.487   0.353   5.561
  200    H    HIS  26           H        HIS  26  -4.679   0.895   7.050
  201    HA   HIS  26           HA       HIS  26  -5.551   2.053   8.814
  202   1HB   HIS  26          HB2       HIS  26  -3.033   3.707   9.152
  203   2HB   HIS  26          HB3       HIS  26  -4.218   3.221  10.342
  204    HD1  HIS  26           HD1      HIS  26  -3.837   0.695  11.433
  205    HD2  HIS  26           HD2      HIS  26  -0.957   2.092   8.678
  206    HE1  HIS  26           HE1      HIS  26  -1.685  -0.475  11.965
  207    H    TYR  27           H        TYR  27  -6.574   2.717   6.656
  208    HA   TYR  27           HA       TYR  27  -7.858   4.146   5.556
  209   1HB   TYR  27          HB2       TYR  27  -7.288   5.971   7.907
  210   2HB   TYR  27          HB3       TYR  27  -8.389   6.368   6.598
  211    HD1  TYR  27           HD1      TYR  27 -10.556   5.338   6.344
  212    HD2  TYR  27           HD2      TYR  27  -7.845   4.027   9.437
  213    HE1  TYR  27           HE1      TYR  27 -12.351   3.963   7.337
  214    HE2  TYR  27           HE2      TYR  27  -9.655   2.675  10.443
  215    HH   TYR  27           HH       TYR  27 -11.852   1.979  10.269
  216    H    LYS  28           H        LYS  28  -4.628   5.321   6.118
  217    HA   LYS  28           HA       LYS  28  -4.774   7.359   3.993
  218   1HB   LYS  28          HB2       LYS  28  -2.665   6.207   5.767
  219   2HB   LYS  28          HB3       LYS  28  -2.143   6.725   4.169
  220   1HG   LYS  28          HG2       LYS  28  -1.860   8.437   5.920
  221   2HG   LYS  28          HG3       LYS  28  -2.647   8.908   4.430
  222   1HD   LYS  28          HD2       LYS  28  -3.543   9.920   6.425
  223   2HD   LYS  28          HD3       LYS  28  -4.756   9.195   5.405
  224   1HE   LYS  28          HE2       LYS  28  -4.994   8.962   7.997
  225   2HE   LYS  28          HE3       LYS  28  -5.395   7.624   6.955
  226   1HZ   LYS  28          HZ1       LYS  28  -3.247   7.830   8.849
  227   2HZ   LYS  28          HZ2       LYS  28  -4.114   6.512   8.323
  228   3HZ   LYS  28          HZ3       LYS  28  -2.865   7.082   7.436
  229    H    VAL  29           H        VAL  29  -3.537   7.090   2.020
  230    HA   VAL  29           HA       VAL  29  -3.651   4.345   0.900
  231    HB   VAL  29           HB       VAL  29  -4.189   6.968  -0.513
  232   1HG1  VAL  29          HG11      VAL  29  -4.655   5.535  -2.447
  233   2HG1  VAL  29          HG12      VAL  29  -2.940   5.524  -2.024
  234   3HG1  VAL  29          HG13      VAL  29  -3.966   4.141  -1.593
  235   1HG2  VAL  29          HG21      VAL  29  -6.354   6.061  -0.908
  236   2HG2  VAL  29          HG22      VAL  29  -5.874   4.467  -0.272
  237   3HG2  VAL  29          HG23      VAL  29  -6.083   5.843   0.838
  238    H    TYR  30           H        TYR  30  -1.930   3.641  -0.177
  239    HA   TYR  30           HA       TYR  30   0.643   5.110   0.183
  240   1HB   TYR  30          HB2       TYR  30  -0.515   2.446   1.023
  241   2HB   TYR  30          HB3       TYR  30   1.192   2.607   0.992
  242    HD1  TYR  30           HD1      TYR  30  -2.043   3.473   2.496
  243    HD2  TYR  30           HD2      TYR  30   2.131   4.425   2.732
  244    HE1  TYR  30           HE1      TYR  30  -2.346   4.188   4.801
  245    HE2  TYR  30           HE2      TYR  30   1.796   5.181   5.099
  246    HH   TYR  30           HH       TYR  30  -1.161   4.354   6.800
  247    H    ASP  31           H        ASP  31   1.878   5.032  -1.716
  248    HA   ASP  31           HA       ASP  31   1.132   3.003  -3.802
  249   1HB   ASP  31          HB2       ASP  31   1.318   5.511  -4.402
  250   2HB   ASP  31          HB3       ASP  31   3.079   5.256  -4.172
  251    H    LEU  32           H        LEU  32   2.615   1.396  -4.200
  252    HA   LEU  32           HA       LEU  32   5.243   1.642  -2.777
  253   1HB   LEU  32          HB2       LEU  32   3.696  -0.904  -3.433
  254   2HB   LEU  32          HB3       LEU  32   5.198  -0.785  -2.547
  255    HG   LEU  32           HG       LEU  32   2.464   0.101  -1.779
  256   1HD1  LEU  32          HD11      LEU  32   2.902  -2.235  -1.364
  257   2HD1  LEU  32          HD12      LEU  32   4.437  -1.866  -0.538
  258   3HD1  LEU  32          HD13      LEU  32   2.922  -1.449   0.245
  259   1HD2  LEU  32          HD21      LEU  32   4.915   0.615  -0.097
  260   2HD2  LEU  32          HD22      LEU  32   3.873   1.855  -0.827
  261   3HD2  LEU  32          HD23      LEU  32   3.206   0.818   0.415
  262    H    THR  33           H        THR  33   4.241   1.954  -5.779
  263    HA   THR  33           HA       THR  33   5.199  -0.131  -7.317
  264    HB   THR  33           HB       THR  33   5.382   2.798  -8.103
  265    HG1  THR  33           HG1      THR  33   3.363   2.399  -7.368
  266   1HG2  THR  33          HG21      THR  33   6.422   1.274  -9.777
  267   2HG2  THR  33          HG22      THR  33   4.977   0.238  -9.734
  268   3HG2  THR  33          HG23      THR  33   4.867   1.895 -10.363
  269    H    LYS  34           H        LYS  34   7.407   2.557  -6.244
  270    HA   LYS  34           HA       LYS  34   9.678   1.198  -7.470
  271   1HB   LYS  34          HB2       LYS  34  11.075   2.762  -6.325
  272   2HB   LYS  34          HB3       LYS  34   9.748   3.574  -7.137
  273   1HG   LYS  34          HG2       LYS  34   9.233   4.651  -5.281
  274   2HG   LYS  34          HG3       LYS  34   8.840   3.157  -4.444
  275   1HD   LYS  34          HD2       LYS  34  11.683   4.273  -4.673
  276   2HD   LYS  34          HD3       LYS  34  10.571   4.702  -3.364
  277   1HE   LYS  34          HE2       LYS  34  10.392   2.356  -2.657
  278   2HE   LYS  34          HE3       LYS  34  11.464   1.843  -3.974
  279   1HZ   LYS  34          HZ1       LYS  34  13.270   2.590  -2.959
  280   2HZ   LYS  34          HZ2       LYS  34  12.499   3.729  -1.988
  281   3HZ   LYS  34          HZ3       LYS  34  12.441   2.085  -1.742
  282    H    PHE  35           H        PHE  35   7.955   0.764  -4.483
  283    HA   PHE  35           HA       PHE  35  10.248  -0.298  -3.008
  284   1HB   PHE  35          HB2       PHE  35   8.352   1.038  -1.900
  285   2HB   PHE  35          HB3       PHE  35   7.263  -0.310  -2.269
  286    HD1  PHE  35           HD1      PHE  35   6.761  -1.662  -0.496
  287    HD2  PHE  35           HD2      PHE  35  10.719   0.033  -0.754
  288    HE1  PHE  35           HE1      PHE  35   7.438  -2.955   1.446
  289    HE2  PHE  35           HE2      PHE  35  11.430  -1.327   1.173
  290    HZ   PHE  35           HZ       PHE  35   9.816  -2.855   2.279
  291    H    LEU  36           H        LEU  36   7.546  -1.452  -4.907
  292    HA   LEU  36           HA       LEU  36   7.362  -4.151  -4.482
  293   1HB   LEU  36          HB2       LEU  36   7.867  -2.793  -7.169
  294   2HB   LEU  36          HB3       LEU  36   7.111  -4.352  -6.964
  295    HG   LEU  36           HG       LEU  36   5.960  -1.726  -6.179
  296   1HD1  LEU  36          HD11      LEU  36   4.999  -3.874  -8.077
  297   2HD1  LEU  36          HD12      LEU  36   4.290  -2.265  -7.847
  298   3HD1  LEU  36          HD13      LEU  36   5.896  -2.430  -8.573
  299   1HD2  LEU  36          HD21      LEU  36   4.934  -4.482  -5.483
  300   2HD2  LEU  36          HD22      LEU  36   5.285  -3.117  -4.398
  301   3HD2  LEU  36          HD23      LEU  36   3.915  -3.025  -5.509
  302    H    GLU  37           H        GLU  37  10.099  -2.534  -6.092
  303    HA   GLU  37           HA       GLU  37  11.689  -4.781  -6.715
  304   1HB   GLU  37          HB2       GLU  37  12.405  -1.889  -6.022
  305   2HB   GLU  37          HB3       GLU  37  13.508  -3.043  -6.737
  306   1HG   GLU  37          HG2       GLU  37  11.994  -3.265  -8.713
  307   2HG   GLU  37          HG3       GLU  37  10.887  -2.077  -8.000
  308    H    GLU  38           H        GLU  38  11.619  -2.728  -3.795
  309    HA   GLU  38           HA       GLU  38  14.044  -3.936  -2.678
  310   1HB   GLU  38          HB2       GLU  38  12.114  -1.805  -1.695
  311   2HB   GLU  38          HB3       GLU  38  13.644  -2.207  -0.905
  312   1HG   GLU  38          HG2       GLU  38  14.931  -1.443  -2.816
  313   2HG   GLU  38          HG3       GLU  38  13.476  -1.236  -3.799
  314    H    HIS  39           HN       HIS  39  10.573  -4.085  -2.198
  315    HA   HIS  39           HA       HIS  39  10.352  -4.728   0.441
  316   1HB   HIS  39          HB2       HIS  39   8.507  -4.120  -1.074
  317   2HB   HIS  39          HB3       HIS  39   8.664  -5.677  -1.893
  318    HD1  HIS  39           HD1      HIS  39   6.482  -6.907  -1.202
  319    HD2  HIS  39           HD2      HIS  39   8.493  -4.978   1.960
  320    HE1  HIS  39           HE1      HIS  39   5.129  -7.330   0.896
  321    HA   PRO  40           HA       PRO  40  12.104  -8.944   0.615
  322   1HB   PRO  40          HB2       PRO  40  10.635  -8.859   3.258
  323   2HB   PRO  40          HB3       PRO  40  12.247  -9.540   2.900
  324   1HG   PRO  40          HG2       PRO  40  12.097  -7.096   4.035
  325   2HG   PRO  40          HG3       PRO  40  13.176  -7.319   2.624
  326   1HD   PRO  40          HD2       PRO  40  10.351  -6.240   2.650
  327   2HD   PRO  40          HD3       PRO  40  11.819  -5.521   1.896
  328    H    GLY  41           H        GLY  41   8.698  -8.165   1.471
  329   1HA   GLY  41          HA1       GLY  41   7.583 -10.781   1.040
  330   2HA   GLY  41          HA2       GLY  41   6.737  -9.262   1.008
  331    H    GLY  42           H        GLY  42   9.016  -8.589  -1.263
  332   1HA   GLY  42          HA1       GLY  42   9.072  -8.584  -3.538
  333   2HA   GLY  42          HA2       GLY  42   8.196 -10.128  -3.523
  334    H    GLU  43           H        GLU  43   7.408  -8.898  -5.523
  335    HA   GLU  43           HA       GLU  43   5.379  -6.854  -5.023
  336   1HB   GLU  43          HB2       GLU  43   6.787  -6.488  -6.857
  337   2HB   GLU  43          HB3       GLU  43   6.471  -8.024  -7.600
  338   1HG   GLU  43          HG2       GLU  43   4.068  -7.475  -7.866
  339   2HG   GLU  43          HG3       GLU  43   4.369  -5.868  -7.211
  340    H    GLU  44           H        GLU  44   5.306 -10.139  -6.585
  341    HA   GLU  44           HA       GLU  44   2.819 -10.346  -7.330
  342   1HB   GLU  44          HB2       GLU  44   4.167 -12.537  -5.674
  343   2HB   GLU  44          HB3       GLU  44   2.794 -12.762  -6.768
  344   1HG   GLU  44          HG2       GLU  44   5.611 -11.900  -7.570
  345   2HG   GLU  44          HG3       GLU  44   4.842 -13.460  -7.862
  346    H    VAL  45           H        VAL  45   3.346 -11.477  -3.983
  347    HA   VAL  45           HA       VAL  45   0.584 -11.506  -3.373
  348    HB   VAL  45           HB       VAL  45   2.321 -12.852  -2.247
  349   1HG1  VAL  45          HG11      VAL  45   3.284 -10.310  -0.870
  350   2HG1  VAL  45          HG12      VAL  45   3.865 -11.957  -0.599
  351   3HG1  VAL  45          HG13      VAL  45   4.155 -11.170  -2.150
  352   1HG2  VAL  45          HG21      VAL  45   1.645 -12.641   0.100
  353   2HG2  VAL  45          HG22      VAL  45   0.896 -11.079  -0.234
  354   3HG2  VAL  45          HG23      VAL  45   0.247 -12.543  -0.999
  355    H    LEU  46           H        LEU  46   2.978  -8.911  -3.147
  356    HA   LEU  46           HA       LEU  46   1.409  -7.149  -1.467
  357   1HB   LEU  46          HB2       LEU  46   3.916  -7.102  -1.785
  358   2HB   LEU  46          HB3       LEU  46   3.645  -6.524  -3.431
  359    HG   LEU  46           HG       LEU  46   2.574  -4.489  -2.579
  360   1HD1  LEU  46          HD11      LEU  46   2.962  -4.058  -0.040
  361   2HD1  LEU  46          HD12      LEU  46   1.665  -5.190  -0.444
  362   3HD1  LEU  46          HD13      LEU  46   3.251  -5.794   0.086
  363   1HD2  LEU  46          HD21      LEU  46   4.626  -3.450  -2.183
  364   2HD2  LEU  46          HD22      LEU  46   5.194  -4.721  -1.105
  365   3HD2  LEU  46          HD23      LEU  46   5.196  -4.972  -2.859
  366    H    ARG  47           H        ARG  47   1.514  -8.026  -4.846
  367    HA   ARG  47           HA       ARG  47   0.044  -5.710  -5.824
  368   1HB   ARG  47          HB2       ARG  47   1.749  -7.254  -7.089
  369   2HB   ARG  47          HB3       ARG  47   0.364  -8.343  -7.298
  370   1HG   ARG  47          HG2       ARG  47  -0.899  -6.316  -8.218
  371   2HG   ARG  47          HG3       ARG  47   0.660  -5.467  -8.231
  372   1HD   ARG  47          HD2       ARG  47  -0.202  -7.890  -9.863
  373   2HD   ARG  47          HD3       ARG  47   0.328  -6.317 -10.432
  374    HE   ARG  47           HE       ARG  47   2.609  -6.768  -9.912
  375   1HH1  ARG  47          HH22      ARG  47   0.639  -9.688  -9.334
  376   2HH1  ARG  47          HH21      ARG  47   1.990 -10.746  -9.660
  377   1HH2  ARG  47          HH11      ARG  47   4.181  -8.047 -10.380
  378   2HH2  ARG  47          HH12      ARG  47   4.105  -9.816 -10.254
  379    H    GLU  48           H        GLU  48  -0.541  -9.182  -5.239
  380    HA   GLU  48           HA       GLU  48  -3.255  -9.463  -5.657
  381   1HB   GLU  48          HB2       GLU  48  -1.461 -11.148  -4.856
  382   2HB   GLU  48          HB3       GLU  48  -1.738 -10.488  -3.234
  383   1HG   GLU  48          HG2       GLU  48  -3.022 -12.514  -3.451
  384   2HG   GLU  48          HG3       GLU  48  -4.184 -11.182  -3.493
  385    H    GLN  49           H        GLN  49  -1.624  -8.150  -2.776
  386    HA   GLN  49           HA       GLN  49  -4.079  -7.715  -1.281
  387   1HB   GLN  49          HB2       GLN  49  -1.723  -8.391  -0.472
  388   2HB   GLN  49          HB3       GLN  49  -1.286  -6.694  -0.714
  389   1HG   GLN  49          HG2       GLN  49  -1.820  -6.574   1.415
  390   2HG   GLN  49          HG3       GLN  49  -3.472  -6.338   0.860
  391   1HE2  GLN  49          HE21      GLN  49  -4.952  -7.566   2.009
  392   2HE2  GLN  49          HE22      GLN  49  -4.606  -9.145   2.690
  393    H    ALA  50           H        ALA  50  -2.544  -5.963  -3.743
  394    HA   ALA  50           HA       ALA  50  -2.742  -3.273  -2.789
  395   1HB   ALA  50          HB1       ALA  50  -1.390  -4.077  -4.746
  396   2HB   ALA  50          HB2       ALA  50  -2.901  -4.238  -5.676
  397   3HB   ALA  50          HB3       ALA  50  -2.375  -2.651  -5.120
  398    H    GLY  51           H        GLY  51  -4.128  -1.639  -4.011
  399   1HA   GLY  51          HA1       GLY  51  -6.111  -0.770  -4.728
  400   2HA   GLY  51          HA2       GLY  51  -6.759  -2.345  -4.960
  401    H    GLY  52           H        GLY  52  -5.830  -2.577  -1.820
  402   1HA   GLY  52          HA1       GLY  52  -7.084  -0.525  -0.452
  403   2HA   GLY  52          HA2       GLY  52  -8.347  -1.742  -0.673
  404    H    ASP  53           H        ASP  53  -8.116  -3.751   0.203
  405    HA   ASP  53           HA       ASP  53  -7.579  -3.449   2.870
  406   1HB   ASP  53          HB2       ASP  53  -8.201  -6.034   1.401
  407   2HB   ASP  53          HB3       ASP  53  -8.501  -5.693   3.113
  408    H    ALA  54           H        ALA  54  -5.201  -2.925   2.820
  409    HA   ALA  54           HA       ALA  54  -3.509  -5.420   3.158
  410   1HB   ALA  54          HB1       ALA  54  -1.687  -3.828   2.532
  411   2HB   ALA  54          HB2       ALA  54  -2.884  -4.037   1.237
  412   3HB   ALA  54          HB3       ALA  54  -2.918  -2.585   2.249
  413    H    THR  55           H        THR  55  -5.077  -2.947   4.894
  414    HA   THR  55           HA       THR  55  -3.002  -2.166   6.651
  415    HB   THR  55           HB       THR  55  -5.992  -2.316   7.293
  416    HG1  THR  55           HG1      THR  55  -4.948  -0.980   5.368
  417   1HG2  THR  55          HG21      THR  55  -5.359  -0.398   8.757
  418   2HG2  THR  55          HG22      THR  55  -4.519  -1.885   9.234
  419   3HG2  THR  55          HG23      THR  55  -3.652  -0.649   8.286
  420    H    GLU  56           H        GLU  56  -5.487  -4.769   6.982
  421    HA   GLU  56           HA       GLU  56  -4.804  -5.745   9.477
  422   1HB   GLU  56          HB2       GLU  56  -5.737  -7.296   7.003
  423   2HB   GLU  56          HB3       GLU  56  -5.809  -7.841   8.681
  424   1HG   GLU  56          HG2       GLU  56  -7.284  -5.871   9.212
  425   2HG   GLU  56          HG3       GLU  56  -7.335  -5.477   7.482
  426    H    ASN  57           H        ASN  57  -3.637  -6.880   6.263
  427    HA   ASN  57           HA       ASN  57  -1.653  -8.635   7.041
  428   1HB   ASN  57          HB2       ASN  57  -2.340  -8.117   4.704
  429   2HB   ASN  57          HB3       ASN  57  -1.395  -6.622   4.761
  430   1HD2  ASN  57          HD21      ASN  57  -1.216  -9.591   3.514
  431   2HD2  ASN  57          HD22      ASN  57   0.447 -10.073   3.920
  432    H    PHE  58           H        PHE  58  -1.259  -5.087   6.599
  433    HA   PHE  58           HA       PHE  58   1.470  -5.067   7.224
  434   1HB   PHE  58          HB2       PHE  58   0.090  -3.291   6.083
  435   2HB   PHE  58          HB3       PHE  58  -0.469  -2.783   7.677
  436    HD1  PHE  58           HD1      PHE  58   0.595  -0.729   8.224
  437    HD2  PHE  58           HD2      PHE  58   2.823  -3.679   6.007
  438    HE1  PHE  58           HE1      PHE  58   2.609   0.709   8.320
  439    HE2  PHE  58           HE2      PHE  58   4.818  -2.236   6.094
  440    HZ   PHE  58           HZ       PHE  58   4.721  -0.044   7.231
  441    H    GLU  59           H        GLU  59  -1.339  -4.802   9.388
  442    HA   GLU  59           HA       GLU  59   0.209  -4.334  11.834
  443   1HB   GLU  59          HB2       GLU  59  -2.685  -5.162  11.259
  444   2HB   GLU  59          HB3       GLU  59  -1.998  -4.977  12.878
  445   1HG   GLU  59          HG2       GLU  59  -1.386  -2.686  12.377
  446   2HG   GLU  59          HG3       GLU  59  -2.045  -2.803  10.723
  447    H    ASP  60           H        ASP  60  -1.810  -6.999  10.906
  448    HA   ASP  60           HA       ASP  60  -1.302  -9.145  12.349
  449   1HB   ASP  60          HB2       ASP  60  -2.740  -9.087  10.312
  450   2HB   ASP  60          HB3       ASP  60  -1.297  -9.059   9.310
  451    H    HIS  61           H        HIS  61   0.788  -8.530   9.511
  452    HA   HIS  61           HA       HIS  61   2.625 -10.658  10.099
  453   1HB   HIS  61          HB2       HIS  61   2.818  -8.245   8.285
  454   2HB   HIS  61          HB3       HIS  61   4.045  -9.509   8.356
  455    HD1  HIS  61           HD1      HIS  61   0.503 -10.904   8.463
  456    HD2  HIS  61           HD2      HIS  61   3.530  -9.863   5.710
  457    HE1  HIS  61           HE1      HIS  61  -0.097 -12.000   6.262
  458    H    GLY  62           H        GLY  62   2.355  -7.617  11.635
  459   1HA   GLY  62          HA1       GLY  62   3.621  -6.636  13.242
  460   2HA   GLY  62          HA2       GLY  62   4.720  -8.026  13.197
  461    H    HIS  63           HN       HIS  63   3.845  -5.793  10.513
  462    HA   HIS  63           HA       HIS  63   6.534  -5.485   9.668
  463   1HB   HIS  63          HB2       HIS  63   4.003  -3.917   9.100
  464   2HB   HIS  63          HB3       HIS  63   5.564  -3.379   8.520
  465    HD1  HIS  63           HD1      HIS  63   3.087  -6.242   7.900
  466    HD2  HIS  63           HD2      HIS  63   6.673  -4.529   6.564
  467    HE1  HIS  63           HE1      HIS  63   3.470  -7.144   5.553
  468    H    SER  64           H        SER  64   8.152  -4.373  10.434
  469    HA   SER  64           HA       SER  64   8.102  -3.297  12.962
  470   1HB   SER  64          HB2       SER  64  10.201  -2.826  10.792
  471   2HB   SER  64          HB3       SER  64  10.461  -2.731  12.543
  472    HG   SER  64           HG       SER  64   9.887  -4.981  10.928
  473    H    THR  65           H        THR  65   8.973  -1.192  13.706
  474    HA   THR  65           HA       THR  65   7.532   1.131  13.205
  475    HB   THR  65           HB       THR  65   9.974   2.004  14.076
  476    HG1  THR  65           HG1      THR  65  11.137   0.057  13.685
  477   1HG2  THR  65          HG21      THR  65   8.166   0.151  15.695
  478   2HG2  THR  65          HG22      THR  65   9.354   1.291  16.360
  479   3HG2  THR  65          HG23      THR  65   7.941   1.903  15.478
  480    H    ASP  66           H        ASP  66  10.607   0.042  11.832
  481    HA   ASP  66           HA       ASP  66  11.262   2.236  10.307
  482   1HB   ASP  66          HB2       ASP  66  11.914  -0.703   9.772
  483   2HB   ASP  66          HB3       ASP  66  12.888   0.708   9.338
  484    H    ALA  67           H        ALA  67   9.421  -0.681   9.421
  485    HA   ALA  67           HA       ALA  67   9.046  -0.090   6.693
  486   1HB   ALA  67          HB1       ALA  67   7.427  -1.858   8.579
  487   2HB   ALA  67          HB2       ALA  67   7.281  -1.844   6.820
  488   3HB   ALA  67          HB3       ALA  67   8.799  -2.366   7.580
  489    H    ARG  68           H        ARG  68   7.218   0.406   9.691
  490    HA   ARG  68           HA       ARG  68   4.914   1.745   8.784
  491   1HB   ARG  68          HB2       ARG  68   6.282   1.244  11.289
  492   2HB   ARG  68          HB3       ARG  68   5.838   2.936  11.258
  493   1HG   ARG  68          HG2       ARG  68   3.986   1.901  12.223
  494   2HG   ARG  68          HG3       ARG  68   3.479   2.052  10.537
  495   1HD   ARG  68          HD2       ARG  68   4.524  -0.369  10.299
  496   2HD   ARG  68          HD3       ARG  68   4.482  -0.400  12.060
  497    HE   ARG  68           HE       ARG  68   1.929   0.448  11.160
  498   1HH1  ARG  68          HH22      ARG  68   3.864  -2.563  11.261
  499   2HH1  ARG  68          HH21      ARG  68   2.515  -3.544  10.737
  500   1HH2  ARG  68          HH11      ARG  68   0.176  -0.868  10.634
  501   2HH2  ARG  68          HH12      ARG  68   0.324  -2.602  10.727
  502    H    GLU  69           H        GLU  69   8.052   3.158   9.762
  503    HA   GLU  69           HA       GLU  69   7.543   5.826   9.141
  504   1HB   GLU  69          HB2       GLU  69   9.583   4.600  10.313
  505   2HB   GLU  69          HB3       GLU  69  10.279   4.596   8.692
  506   1HG   GLU  69          HG2       GLU  69  11.058   6.532   9.936
  507   2HG   GLU  69          HG3       GLU  69   9.998   7.095   8.634
  508    H    LEU  70           H        LEU  70   9.064   3.309   7.099
  509    HA   LEU  70           HA       LEU  70   9.209   4.726   4.723
  510   1HB   LEU  70          HB2       LEU  70   9.152   1.865   5.516
  511   2HB   LEU  70          HB3       LEU  70   8.386   2.068   4.020
  512    HG   LEU  70           HG       LEU  70  10.620   1.634   3.483
  513   1HD1  LEU  70          HD11      LEU  70  10.896   4.633   3.322
  514   2HD1  LEU  70          HD12      LEU  70  11.200   3.394   2.096
  515   3HD1  LEU  70          HD13      LEU  70   9.533   3.879   2.498
  516   1HD2  LEU  70          HD21      LEU  70  11.562   1.989   5.713
  517   2HD2  LEU  70          HD22      LEU  70  12.544   2.817   4.482
  518   3HD2  LEU  70          HD23      LEU  70  11.439   3.756   5.510
  519    H    SER  71           H        SER  71   6.367   3.128   6.092
  520    HA   SER  71           HA       SER  71   4.644   3.449   3.826
  521   1HB   SER  71          HB2       SER  71   4.392   2.191   6.220
  522   2HB   SER  71          HB3       SER  71   3.530   3.692   6.612
  523    HG   SER  71           HG       SER  71   2.091   2.233   5.724
  524    H    LYS  72           H        LYS  72   5.545   5.648   6.465
  525    HA   LYS  72           HA       LYS  72   3.630   7.704   5.819
  526   1HB   LYS  72          HB2       LYS  72   6.454   8.249   6.808
  527   2HB   LYS  72          HB3       LYS  72   5.012   9.246   6.989
  528   1HG   LYS  72          HG2       LYS  72   3.997   7.468   8.409
  529   2HG   LYS  72          HG3       LYS  72   5.491   6.528   8.281
  530   1HD   LYS  72          HD2       LYS  72   6.773   8.495   9.121
  531   2HD   LYS  72          HD3       LYS  72   5.255   9.333   9.483
  532   1HE   LYS  72          HE2       LYS  72   4.673   7.685  11.192
  533   2HE   LYS  72          HE3       LYS  72   5.929   6.581  10.615
  534   1HZ   LYS  72          HZ1       LYS  72   7.242   7.414  12.075
  535   2HZ   LYS  72          HZ2       LYS  72   7.399   8.679  11.184
  536   3HZ   LYS  72          HZ3       LYS  72   6.296   8.761  12.437
  537    H    THR  73           H        THR  73   6.944   7.075   4.802
  538    HA   THR  73           HA       THR  73   7.335   9.152   2.949
  539    HB   THR  73           HB       THR  73   8.473   6.379   2.504
  540    HG1  THR  73           HG1      THR  73   9.010   8.150   4.657
  541   1HG2  THR  73          HG21      THR  73   9.258   8.185   1.037
  542   2HG2  THR  73          HG22      THR  73   9.751   9.133   2.462
  543   3HG2  THR  73          HG23      THR  73  10.537   7.576   2.112
  544    H    PHE  74           H        PHE  74   5.696   6.013   2.553
  545    HA   PHE  74           HA       PHE  74   5.290   6.378  -0.331
  546   1HB   PHE  74          HB2       PHE  74   4.110   4.355   1.573
  547   2HB   PHE  74          HB3       PHE  74   4.131   4.252  -0.177
  548    HD1  PHE  74           HD1      PHE  74   7.186   5.170  -0.429
  549    HD2  PHE  74           HD2      PHE  74   5.055   2.186   1.833
  550    HE1  PHE  74           HE1      PHE  74   9.244   3.810  -0.269
  551    HE2  PHE  74           HE2      PHE  74   7.040   0.724   1.750
  552    HZ   PHE  74           HZ       PHE  74   9.203   1.633   0.974
  553    H    ILE  75           H        ILE  75   3.572   7.569   2.407
  554    HA   ILE  75           HA       ILE  75   0.921   7.370   1.485
  555    HB   ILE  75           HB       ILE  75   2.271   9.635   2.965
  556   1HG1  ILE  75          HG12      ILE  75   0.049   7.691   3.765
  557   2HG1  ILE  75          HG13      ILE  75   1.753   7.321   3.894
  558   1HG2  ILE  75          HG21      ILE  75   0.443  10.740   1.737
  559   2HG2  ILE  75          HG22      ILE  75  -0.686   9.452   2.218
  560   3HG2  ILE  75          HG23      ILE  75  -0.011  10.566   3.418
  561   1HD1  ILE  75          HD11      ILE  75   1.011   8.083   6.061
  562   2HD1  ILE  75          HD12      ILE  75   2.046   9.355   5.377
  563   3HD1  ILE  75          HD13      ILE  75   0.282   9.543   5.375
  564    H    ILE  76           H        ILE  76  -0.241   8.105  -0.141
  565    HA   ILE  76           HA       ILE  76   0.792  10.346  -1.877
  566    HB   ILE  76           HB       ILE  76  -0.372   9.017  -3.738
  567   1HG1  ILE  76          HG12      ILE  76   0.092   6.609  -1.962
  568   2HG1  ILE  76          HG13      ILE  76  -1.453   7.461  -1.873
  569   1HG2  ILE  76          HG21      ILE  76   2.118   7.756  -2.530
  570   2HG2  ILE  76          HG22      ILE  76   1.606   7.729  -4.230
  571   3HG2  ILE  76          HG23      ILE  76   2.088   9.250  -3.483
  572   1HD1  ILE  76          HD11      ILE  76  -1.112   5.420  -3.506
  573   2HD1  ILE  76          HD12      ILE  76  -2.177   6.771  -3.893
  574   3HD1  ILE  76          HD13      ILE  76  -0.550   6.709  -4.606
  575    H    GLY  77           H        GLY  77  -1.761   9.359   0.163
  576   1HA   GLY  77          HA1       GLY  77  -4.031  10.869  -0.996
  577   2HA   GLY  77          HA2       GLY  77  -3.806   9.231  -1.595
  578    H    GLU  78           H        GLU  78  -6.014   9.827  -0.226
  579    HA   GLU  78           HA       GLU  78  -5.699   8.005   2.045
  580   1HB   GLU  78          HB2       GLU  78  -7.372  10.556   1.978
  581   2HB   GLU  78          HB3       GLU  78  -7.057   9.564   3.400
  582   1HG   GLU  78          HG2       GLU  78  -5.607  11.313   3.898
  583   2HG   GLU  78          HG3       GLU  78  -4.547  10.130   3.189
  584    H    LEU  79           H        LEU  79  -7.605   7.026   2.682
  585    HA   LEU  79           HA       LEU  79  -9.474   6.336   0.624
  586   1HB   LEU  79          HB2       LEU  79  -8.693   5.023   2.634
  587   2HB   LEU  79          HB3       LEU  79  -9.725   5.992   3.656
  588    HG   LEU  79           HG       LEU  79 -10.348   3.555   2.609
  589   1HD1  LEU  79          HD11      LEU  79 -12.300   5.715   3.349
  590   2HD1  LEU  79          HD12      LEU  79 -12.663   3.977   3.175
  591   3HD1  LEU  79          HD13      LEU  79 -11.509   4.513   4.404
  592   1HD2  LEU  79          HD21      LEU  79 -10.484   4.322   0.272
  593   2HD2  LEU  79          HD22      LEU  79 -12.005   3.686   0.903
  594   3HD2  LEU  79          HD23      LEU  79 -11.797   5.437   0.740
  595    H    HIS  80           H        HIS  80 -11.123   7.537  -0.131
  596    HA   HIS  80           HA       HIS  80 -11.764   9.982   0.861
  597   1HB   HIS  80          HB2       HIS  80 -12.168   8.913  -1.403
  598   2HB   HIS  80          HB3       HIS  80 -13.621   8.169  -0.765
  599    HD1  HIS  80           HD1      HIS  80 -15.670   9.728  -1.455
  600    HD2  HIS  80           HD2      HIS  80 -11.959  11.665  -1.005
  601    HE1  HIS  80           HE1      HIS  80 -16.096  12.184  -1.967
  602    HA   PRO  81           HA       PRO  81 -14.715   9.149   4.011
  603   1HB   PRO  81          HB2       PRO  81 -16.544  11.407   3.137
  604   2HB   PRO  81          HB3       PRO  81 -15.766  11.194   4.706
  605   1HG   PRO  81          HG2       PRO  81 -14.837  13.038   2.888
  606   2HG   PRO  81          HG3       PRO  81 -13.643  12.008   3.741
  607   1HD   PRO  81          HD2       PRO  81 -14.974  11.483   1.064
  608   2HD   PRO  81          HD3       PRO  81 -13.238  11.575   1.381
  609    H    ASP  82           H        ASP  82 -16.401   9.924   0.995
  610    HA   ASP  82           HA       ASP  82 -18.934   9.097   1.791
  611   1HB   ASP  82          HB2       ASP  82 -18.412  10.388  -0.278
  612   2HB   ASP  82          HB3       ASP  82 -17.682   8.937  -1.004
  613    H    ASP  83           H        ASP  83 -16.298   7.475   0.360
  614    HA   ASP  83           HA       ASP  83 -16.631   4.814   0.094
  615   1HB   ASP  83          HB2       ASP  83 -14.552   6.774   0.715
  616   2HB   ASP  83          HB3       ASP  83 -14.202   5.354   1.619
  617    H    ARG  84           H        ARG  84 -15.699   6.241   3.251
  618    HA   ARG  84           HA       ARG  84 -16.165   3.613   4.525
  619   1HB   ARG  84          HB2       ARG  84 -15.010   4.568   6.482
  620   2HB   ARG  84          HB3       ARG  84 -14.091   4.452   4.998
  621   1HG   ARG  84          HG2       ARG  84 -13.399   6.424   5.974
  622   2HG   ARG  84          HG3       ARG  84 -14.408   6.936   4.637
  623   1HD   ARG  84          HD2       ARG  84 -15.298   6.747   7.548
  624   2HD   ARG  84          HD3       ARG  84 -14.676   8.239   6.792
  625    HE   ARG  84           HE       ARG  84 -16.737   7.435   5.118
  626   1HH1  ARG  84          HH22      ARG  84 -16.569   8.387   8.489
  627   2HH1  ARG  84          HH21      ARG  84 -18.299   8.467   8.705
  628   1HH2  ARG  84          HH11      ARG  84 -18.873   7.113   5.501
  629   2HH2  ARG  84          HH12      ARG  84 -19.709   7.908   6.812
  630    HHA  HEM 201           HGM      HEM 201   9.008  -9.168   5.406
  631    HHB  HEM 201           HDM      HEM 201   9.089  -2.777   4.781
  632    HHC  HEM 201           HAM      HEM 201   3.009  -2.911   2.739
  633    HHD  HEM 201           HBM      HEM 201   3.205  -9.403   2.647
  634   1HMA  HEM 201          HM81      HEM 201  11.928  -4.782   6.238
  635   2HMA  HEM 201          HM82      HEM 201  11.346  -3.671   4.998
  636   3HMA  HEM 201          HM83      HEM 201  10.678  -3.593   6.640
  637   1HAA  HEM 201          HP71      HEM 201  10.738  -8.385   6.523
  638   2HAA  HEM 201          HP72      HEM 201  11.715  -6.879   6.828
  639   1HBA  HEM 201          HP73      HEM 201  10.663  -7.862   8.860
  640   2HBA  HEM 201          HP74      HEM 201   9.021  -7.496   8.128
  641   1HMB  HEM 201          HM11      HEM 201   6.920   0.276   4.121
  642   2HMB  HEM 201          HM12      HEM 201   8.168  -0.684   4.904
  643   3HMB  HEM 201          HM13      HEM 201   8.247  -0.450   3.171
  644    HAB  HEM 201          HT2A      HEM 201   4.630  -1.025   1.525
  645   1HBB  HEM 201          HV2C      HEM 201   4.477   0.641   3.981
  646   2HBB  HEM 201          HV2T      HEM 201   3.140   0.494   2.655
  647   1HMC  HEM 201          HM31      HEM 201   0.977  -3.634   2.336
  648   2HMC  HEM 201          HM32      HEM 201   0.207  -5.042   1.575
  649   3HMC  HEM 201          HM33      HEM 201   0.200  -4.867   3.349
  650    HAC  HEM 201          HT4A      HEM 201   0.039  -7.593   2.230
  651   1HBC  HEM 201          HV4C      HEM 201   2.250  -8.594   0.376
  652   2HBC  HEM 201          HV4T      HEM 201   0.415  -8.938   0.297
  653   1HMD  HEM 201          HM51      HEM 201   5.300 -12.481   3.447
  654   2HMD  HEM 201          HM52      HEM 201   3.826 -11.577   3.777
  655   3HMD  HEM 201          HM53      HEM 201   4.531 -11.544   2.154
  656   1HAD  HEM 201          HP61      HEM 201   7.410 -12.350   3.992
  657   2HAD  HEM 201          HP62      HEM 201   8.732 -11.161   4.368
  658   1HBD  HEM 201          HP63      HEM 201   7.566 -10.896   6.667
  659   2HBD  HEM 201          HP64      HEM 201   6.684 -12.439   6.208
  Start of MODEL   18
    1   1H    ALA   3          H1        ALA   3 -10.012  19.373   0.738
    2   2H    ALA   3          H2        ALA   3 -10.321  17.917   1.397
    3   3H    ALA   3          H3        ALA   3 -10.872  19.304   2.161
    4    HA   ALA   3           HA       ALA   3  -9.040  18.605   3.384
    5   1HB   ALA   3          HB1       ALA   3  -7.893  20.493   1.266
    6   2HB   ALA   3          HB2       ALA   3  -8.839  21.010   2.679
    7   3HB   ALA   3          HB3       ALA   3  -7.263  20.242   2.907
    8    H    VAL   4           H        VAL   4  -6.322  18.355   2.692
    9    HA   VAL   4           HA       VAL   4  -4.765  17.251   1.509
   10    HB   VAL   4           HB       VAL   4  -4.979  14.787   1.552
   11   1HG1  VAL   4          HG11      VAL   4  -5.856  16.134   4.121
   12   2HG1  VAL   4          HG12      VAL   4  -5.094  14.545   3.937
   13   3HG1  VAL   4          HG13      VAL   4  -4.187  16.008   3.512
   14   1HG2  VAL   4          HG21      VAL   4  -6.888  13.678   2.541
   15   2HG2  VAL   4          HG22      VAL   4  -7.731  15.204   2.809
   16   3HG2  VAL   4          HG23      VAL   4  -7.495  14.593   1.162
   17    H    LYS   5           H        LYS   5  -5.982  14.765  -0.167
   18    HA   LYS   5           HA       LYS   5  -6.925  16.278  -2.544
   19   1HB   LYS   5          HB2       LYS   5  -4.555  15.736  -2.880
   20   2HB   LYS   5          HB3       LYS   5  -4.886  14.017  -2.611
   21   1HG   LYS   5          HG2       LYS   5  -6.403  13.960  -4.537
   22   2HG   LYS   5          HG3       LYS   5  -6.223  15.697  -4.795
   23   1HD   LYS   5          HD2       LYS   5  -3.936  13.677  -4.934
   24   2HD   LYS   5          HD3       LYS   5  -4.890  14.216  -6.331
   25   1HE   LYS   5          HE2       LYS   5  -4.182  16.576  -5.912
   26   2HE   LYS   5          HE3       LYS   5  -3.167  16.032  -4.565
   27   1HZ   LYS   5          HZ1       LYS   5  -2.825  15.238  -7.372
   28   2HZ   LYS   5          HZ2       LYS   5  -1.893  16.301  -6.536
   29   3HZ   LYS   5          HZ3       LYS   5  -1.905  14.713  -6.108
   30    H    TYR   6           H        TYR   6  -6.354  13.126  -1.031
   31    HA   TYR   6           HA       TYR   6  -7.497  11.225  -0.831
   32   1HB   TYR   6          HB2       TYR   6 -10.075  12.938  -1.162
   33   2HB   TYR   6          HB3       TYR   6  -9.967  11.207  -1.198
   34    HD1  TYR   6           HD1      TYR   6  -9.585   9.866   0.604
   35    HD2  TYR   6           HD2      TYR   6  -9.841  14.120   1.041
   36    HE1  TYR   6           HE1      TYR   6  -9.698   9.564   2.985
   37    HE2  TYR   6           HE2      TYR   6 -10.011  13.840   3.508
   38    HH   TYR   6           HH       TYR   6  -8.833  11.482   4.966
   39    H    TYR   7           H        TYR   7  -8.198   9.613  -1.761
   40    HA   TYR   7           HA       TYR   7  -8.348   9.478  -4.683
   41   1HB   TYR   7          HB2       TYR   7  -6.488   8.610  -2.474
   42   2HB   TYR   7          HB3       TYR   7  -6.803   7.433  -3.555
   43    HD1  TYR   7           HD1      TYR   7  -4.095   8.109  -3.204
   44    HD2  TYR   7           HD2      TYR   7  -6.829  10.400  -5.654
   45    HE1  TYR   7           HE1      TYR   7  -2.220   9.484  -4.098
   46    HE2  TYR   7           HE2      TYR   7  -5.014  11.753  -6.441
   47    HH   TYR   7           HH       TYR   7  -2.609  11.525  -6.866
   48    H    THR   8           H        THR   8  -9.731   8.079  -5.410
   49    HA   THR   8           HA       THR   8 -11.811   7.317  -3.550
   50    HB   THR   8           HB       THR   8 -12.908   6.652  -5.790
   51    HG1  THR   8           HG1      THR   8 -11.745   7.513  -7.602
   52   1HG2  THR   8          HG21      THR   8 -11.840   9.499  -5.467
   53   2HG2  THR   8          HG22      THR   8 -13.244   9.008  -6.437
   54   3HG2  THR   8          HG23      THR   8 -13.285   8.840  -4.671
   55    H    LEU   9           H        LEU   9 -12.592   5.143  -3.197
   56    HA   LEU   9           HA       LEU   9 -10.859   2.959  -3.285
   57   1HB   LEU   9          HB2       LEU   9 -12.656   2.833  -2.015
   58   2HB   LEU   9          HB3       LEU   9 -13.854   3.238  -3.256
   59    HG   LEU   9           HG       LEU   9 -13.984   0.947  -2.402
   60   1HD1  LEU   9          HD11      LEU   9 -14.222  -0.278  -4.409
   61   2HD1  LEU   9          HD12      LEU   9 -14.713   1.395  -4.717
   62   3HD1  LEU   9          HD13      LEU   9 -13.155   0.791  -5.315
   63   1HD2  LEU   9          HD21      LEU   9 -11.175   0.547  -3.473
   64   2HD2  LEU   9          HD22      LEU   9 -11.696   0.544  -1.781
   65   3HD2  LEU   9          HD23      LEU   9 -12.247  -0.735  -2.879
   66    H    GLU  10           H        GLU  10 -13.040   4.138  -5.875
   67    HA   GLU  10           HA       GLU  10 -12.578   2.369  -7.945
   68   1HB   GLU  10          HB2       GLU  10 -13.866   4.460  -8.211
   69   2HB   GLU  10          HB3       GLU  10 -12.415   5.423  -8.012
   70   1HG   GLU  10          HG2       GLU  10 -11.429   4.377 -10.052
   71   2HG   GLU  10          HG3       GLU  10 -12.943   3.499 -10.304
   72    H    GLU  11           H        GLU  11 -10.426   5.148  -7.131
   73    HA   GLU  11           HA       GLU  11  -8.452   4.288  -9.026
   74   1HB   GLU  11          HB2       GLU  11  -8.351   6.260  -6.673
   75   2HB   GLU  11          HB3       GLU  11  -6.895   5.765  -7.497
   76   1HG   GLU  11          HG2       GLU  11  -9.268   7.013  -8.944
   77   2HG   GLU  11          HG3       GLU  11  -7.912   7.924  -8.266
   78    H    ILE  12           H        ILE  12  -8.827   3.837  -5.518
   79    HA   ILE  12           HA       ILE  12  -6.213   2.897  -5.261
   80    HB   ILE  12           HB       ILE  12  -8.681   2.386  -3.533
   81   1HG1  ILE  12          HG12      ILE  12  -6.346   4.202  -2.838
   82   2HG1  ILE  12          HG13      ILE  12  -7.568   4.809  -3.952
   83   1HG2  ILE  12          HG21      ILE  12  -7.011   1.958  -1.698
   84   2HG2  ILE  12          HG22      ILE  12  -7.140   0.685  -2.920
   85   3HG2  ILE  12          HG23      ILE  12  -5.763   1.825  -2.954
   86   1HD1  ILE  12          HD11      ILE  12  -8.079   5.525  -1.777
   87   2HD1  ILE  12          HD12      ILE  12  -9.327   4.364  -2.244
   88   3HD1  ILE  12          HD13      ILE  12  -8.055   3.884  -1.100
   89    H    GLN  13           H        GLU  13  -9.243   1.133  -5.764
   90    HA   GLN  13           HA       GLU  13  -8.213  -1.520  -5.957
   91   1HB   GLN  13          HB2       GLU  13 -10.500  -0.013  -7.272
   92   2HB   GLN  13          HB3       GLU  13 -10.160  -1.667  -7.746
   93   1HG   GLN  13          HG2       GLU  13 -10.356  -1.088  -4.794
   94   2HG   GLN  13          HG3       GLU  13 -11.846  -1.032  -5.748
   95    H    LYS  14           H        LYS  14  -8.660   0.995  -8.438
   96    HA   LYS  14           HA       LYS  14  -7.702  -0.481 -10.643
   97   1HB   LYS  14          HB2       LYS  14  -9.158   1.453 -10.651
   98   2HB   LYS  14          HB3       LYS  14  -7.843   2.503 -10.109
   99   1HG   LYS  14          HG2       LYS  14  -6.941   2.696 -12.136
  100   2HG   LYS  14          HG3       LYS  14  -7.355   1.030 -12.633
  101   1HD   LYS  14          HD2       LYS  14  -8.679   2.596 -13.970
  102   2HD   LYS  14          HD3       LYS  14  -9.728   1.698 -12.868
  103   1HE   LYS  14          HE2       LYS  14  -9.495   3.767 -11.265
  104   2HE   LYS  14          HE3       LYS  14  -8.808   4.604 -12.658
  105   1HZ   LYS  14          HZ1       LYS  14 -11.200   4.970 -12.393
  106   2HZ   LYS  14          HZ2       LYS  14 -10.893   4.228 -13.818
  107   3HZ   LYS  14          HZ3       LYS  14 -11.498   3.402 -12.524
  108    H    HIS  15           H        HIS  15  -5.942   1.411  -8.230
  109    HA   HIS  15           HA       HIS  15  -3.332   1.140  -9.557
  110   1HB   HIS  15          HB2       HIS  15  -4.255   2.353  -6.958
  111   2HB   HIS  15          HB3       HIS  15  -2.559   1.997  -7.363
  112    HD1  HIS  15           HD1      HIS  15  -1.243   3.760  -8.692
  113    HD2  HIS  15           HD2      HIS  15  -5.396   4.401  -8.587
  114    HE1  HIS  15           HE1      HIS  15  -1.664   6.027  -9.716
  115    H    ASN  16           H        ASN  16  -4.045  -1.180  -9.684
  116    HA   ASN  16           HA       ASN  16  -1.983  -2.434  -8.045
  117   1HB   ASN  16          HB2       ASN  16  -3.186  -4.313  -7.209
  118   2HB   ASN  16          HB3       ASN  16  -3.995  -2.840  -6.675
  119   1HD2  ASN  16          HD21      ASN  16  -5.636  -4.672  -6.249
  120   2HD2  ASN  16          HD22      ASN  16  -6.824  -4.875  -7.529
  121    H    ASN  17           H        ASN  17  -2.437  -1.651 -10.849
  122    HA   ASN  17           HA       ASN  17  -1.849  -4.308 -12.110
  123   1HB   ASN  17          HB2       ASN  17  -4.143  -3.727 -12.640
  124   2HB   ASN  17          HB3       ASN  17  -3.662  -2.136 -13.231
  125   1HD2  ASN  17          HD21      ASN  17  -5.058  -3.446 -15.037
  126   2HD2  ASN  17          HD22      ASN  17  -4.037  -4.193 -16.254
  127    H    SER  18           H        SER  18  -1.935  -1.352 -13.984
  128    HA   SER  18           HA       SER  18   1.015  -0.997 -13.698
  129   1HB   SER  18          HB2       SER  18   0.555  -2.372 -15.717
  130   2HB   SER  18          HB3       SER  18  -0.524  -1.099 -16.327
  131    HG   SER  18           HG       SER  18   1.348   0.323 -16.110
  132    H    LYS  19           H        LYS  19  -1.399   0.291 -12.610
  133    HA   LYS  19           HA       LYS  19  -1.273   3.092 -13.608
  134   1HB   LYS  19          HB2       LYS  19  -2.766   1.475 -11.546
  135   2HB   LYS  19          HB3       LYS  19  -2.683   3.208 -11.348
  136   1HG   LYS  19          HG2       LYS  19  -3.682   1.906 -13.912
  137   2HG   LYS  19          HG3       LYS  19  -4.703   1.967 -12.494
  138   1HD   LYS  19          HD2       LYS  19  -3.695   4.396 -14.021
  139   2HD   LYS  19          HD3       LYS  19  -5.362   3.814 -13.857
  140   1HE   LYS  19          HE2       LYS  19  -4.875   4.080 -11.255
  141   2HE   LYS  19          HE3       LYS  19  -3.571   5.157 -11.833
  142   1HZ   LYS  19          HZ1       LYS  19  -5.423   6.453 -12.911
  143   2HZ   LYS  19          HZ2       LYS  19  -6.476   5.584 -11.944
  144   3HZ   LYS  19          HZ3       LYS  19  -5.384   6.459 -11.268
  145    H    SER  20           H        SER  20  -0.959   1.371 -10.456
  146    HA   SER  20           HA       SER  20   1.733   1.585 -10.060
  147   1HB   SER  20          HB2       SER  20   0.586   3.157  -7.829
  148   2HB   SER  20          HB3       SER  20   2.077   3.416  -8.722
  149    HG   SER  20           HG       SER  20   0.815   4.365 -10.389
  150    H    THR  21           H        THR  21   1.702   1.040  -7.412
  151    HA   THR  21           HA       THR  21  -0.513  -0.924  -6.930
  152    HB   THR  21           HB       THR  21   2.402  -1.190  -6.152
  153    HG1  THR  21           HG1      THR  21   0.854  -2.074  -8.362
  154   1HG2  THR  21          HG21      THR  21   1.737  -3.597  -5.882
  155   2HG2  THR  21          HG22      THR  21   0.915  -2.529  -4.727
  156   3HG2  THR  21          HG23      THR  21   0.055  -3.141  -6.169
  157    H    TRP  22           H        TRP  22  -1.813   0.088  -5.588
  158    HA   TRP  22           HA       TRP  22  -0.874   1.805  -3.351
  159   1HB   TRP  22          HB2       TRP  22  -3.338   1.575  -5.059
  160   2HB   TRP  22          HB3       TRP  22  -3.431   2.385  -3.550
  161    HD1  TRP  22           HD1      TRP  22  -0.153   2.942  -5.307
  162    HE1  TRP  22           HE1      TRP  22   0.022   5.156  -6.375
  163    HE3  TRP  22           HE3      TRP  22  -4.958   4.426  -4.549
  164    HZ2  TRP  22           HZ2      TRP  22  -1.876   7.382  -7.069
  165    HZ3  TRP  22           HZ3      TRP  22  -5.815   6.506  -5.574
  166    HH2  TRP  22           HH2      TRP  22  -4.334   7.926  -6.930
  167    H    LEU  23           H        LEU  23  -1.827   1.538  -1.228
  168    HA   LEU  23           HA       LEU  23  -3.964  -0.421  -0.962
  169   1HB   LEU  23          HB2       LEU  23  -2.334  -1.230   1.187
  170   2HB   LEU  23          HB3       LEU  23  -2.847  -2.111  -0.194
  171    HG   LEU  23           HG       LEU  23  -0.682  -1.246  -1.389
  172   1HD1  LEU  23          HD11      LEU  23   1.143  -0.956   0.170
  173   2HD1  LEU  23          HD12      LEU  23  -0.056   0.319   0.375
  174   3HD1  LEU  23          HD13      LEU  23   0.035  -1.010   1.559
  175   1HD2  LEU  23          HD21      LEU  23   0.482  -3.198  -0.380
  176   2HD2  LEU  23          HD22      LEU  23  -0.856  -3.346   0.787
  177   3HD2  LEU  23          HD23      LEU  23  -1.147  -3.576  -0.945
  178    H    ILE  24           H        ILE  24  -5.015  -0.380   1.142
  179    HA   ILE  24           HA       ILE  24  -4.723   2.302   2.406
  180    HB   ILE  24           HB       ILE  24  -6.969   0.345   2.960
  181   1HG1  ILE  24          HG12      ILE  24  -7.380   2.501   0.899
  182   2HG1  ILE  24          HG13      ILE  24  -6.777   0.916   0.421
  183   1HG2  ILE  24          HG21      ILE  24  -6.821   3.365   3.153
  184   2HG2  ILE  24          HG22      ILE  24  -8.207   2.353   3.606
  185   3HG2  ILE  24          HG23      ILE  24  -6.695   2.221   4.502
  186   1HD1  ILE  24          HD11      ILE  24  -9.229   1.067   0.229
  187   2HD1  ILE  24          HD12      ILE  24  -8.627  -0.272   1.222
  188   3HD1  ILE  24          HD13      ILE  24  -9.306   1.153   2.002
  189    H    LEU  25           H        LEU  25  -3.768   2.525   4.225
  190    HA   LEU  25           HA       LEU  25  -3.677   0.297   6.217
  191   1HB   LEU  25          HB2       LEU  25  -1.492   1.912   5.041
  192   2HB   LEU  25          HB3       LEU  25  -1.385   1.530   6.763
  193    HG   LEU  25           HG       LEU  25  -1.417  -0.870   6.205
  194   1HD1  LEU  25          HD11      LEU  25  -1.602   0.117   3.344
  195   2HD1  LEU  25          HD12      LEU  25  -0.897  -1.462   3.762
  196   3HD1  LEU  25          HD13      LEU  25  -2.558  -1.123   4.209
  197   1HD2  LEU  25          HD21      LEU  25   0.672   0.739   4.668
  198   2HD2  LEU  25          HD22      LEU  25   0.769   0.280   6.381
  199   3HD2  LEU  25          HD23      LEU  25   0.831  -0.971   5.117
  200    H    HIS  26           H        HIS  26  -5.221   1.153   7.603
  201    HA   HIS  26           HA       HIS  26  -6.129   2.547   9.154
  202   1HB   HIS  26          HB2       HIS  26  -3.529   4.122   9.198
  203   2HB   HIS  26          HB3       HIS  26  -4.709   3.948  10.487
  204    HD1  HIS  26           HD1      HIS  26  -4.548   1.642  11.925
  205    HD2  HIS  26           HD2      HIS  26  -1.621   2.343   8.985
  206    HE1  HIS  26           HE1      HIS  26  -2.597   0.094  12.452
  207    H    TYR  27           H        TYR  27  -7.031   3.159   6.752
  208    HA   TYR  27           HA       TYR  27  -8.101   4.773   5.547
  209   1HB   TYR  27          HB2       TYR  27  -8.005   6.299   8.185
  210   2HB   TYR  27          HB3       TYR  27  -9.022   6.685   6.806
  211    HD1  TYR  27           HD1      TYR  27  -8.410   4.051   9.399
  212    HD2  TYR  27           HD2      TYR  27 -11.136   5.715   6.492
  213    HE1  TYR  27           HE1      TYR  27 -10.221   2.610  10.263
  214    HE2  TYR  27           HE2      TYR  27 -12.968   4.419   7.479
  215    HH   TYR  27           HH       TYR  27 -12.476   2.076  10.138
  216    H    LYS  28           H        LYS  28  -5.110   4.857   5.571
  217    HA   LYS  28           HA       LYS  28  -5.119   7.358   3.992
  218   1HB   LYS  28          HB2       LYS  28  -2.680   6.444   5.566
  219   2HB   LYS  28          HB3       LYS  28  -2.766   7.819   4.467
  220   1HG   LYS  28          HG2       LYS  28  -4.322   7.470   7.070
  221   2HG   LYS  28          HG3       LYS  28  -2.765   8.287   6.883
  222   1HD   LYS  28          HD2       LYS  28  -3.606  10.094   5.702
  223   2HD   LYS  28          HD3       LYS  28  -5.034   9.219   5.162
  224   1HE   LYS  28          HE2       LYS  28  -4.861   9.522   8.122
  225   2HE   LYS  28          HE3       LYS  28  -5.016  11.041   7.230
  226   1HZ   LYS  28          HZ1       LYS  28  -6.808   8.785   6.676
  227   2HZ   LYS  28          HZ2       LYS  28  -7.159   9.949   7.814
  228   3HZ   LYS  28          HZ3       LYS  28  -6.954  10.352   6.234
  229    H    VAL  29           H        VAL  29  -3.360   7.159   2.268
  230    HA   VAL  29           HA       VAL  29  -3.594   4.387   1.142
  231    HB   VAL  29           HB       VAL  29  -3.975   7.051  -0.226
  232   1HG1  VAL  29          HG11      VAL  29  -2.672   5.640  -1.746
  233   2HG1  VAL  29          HG12      VAL  29  -3.797   4.292  -1.490
  234   3HG1  VAL  29          HG13      VAL  29  -4.351   5.791  -2.276
  235   1HG2  VAL  29          HG21      VAL  29  -5.912   5.910   1.006
  236   2HG2  VAL  29          HG22      VAL  29  -6.144   6.176  -0.743
  237   3HG2  VAL  29          HG23      VAL  29  -5.718   4.561  -0.128
  238    H    TYR  30           H        TYR  30  -1.896   3.456   0.325
  239    HA   TYR  30           HA       TYR  30   0.766   4.753   0.690
  240   1HB   TYR  30          HB2       TYR  30  -0.537   2.115   1.415
  241   2HB   TYR  30          HB3       TYR  30   1.187   2.228   1.407
  242    HD1  TYR  30           HD1      TYR  30   2.256   3.500   3.343
  243    HD2  TYR  30           HD2      TYR  30  -2.011   3.422   2.810
  244    HE1  TYR  30           HE1      TYR  30   1.910   4.563   5.590
  245    HE2  TYR  30           HE2      TYR  30  -2.298   4.517   4.955
  246    HH   TYR  30           HH       TYR  30   0.421   5.152   7.176
  247    H    ASP  31           H        ASP  31   1.849   4.821  -1.248
  248    HA   ASP  31           HA       ASP  31   1.213   2.832  -3.380
  249   1HB   ASP  31          HB2       ASP  31   1.217   5.310  -3.949
  250   2HB   ASP  31          HB3       ASP  31   2.959   5.305  -3.566
  251    H    LEU  32           H        LEU  32   2.762   1.262  -3.685
  252    HA   LEU  32           HA       LEU  32   5.481   1.871  -2.572
  253   1HB   LEU  32          HB2       LEU  32   4.791  -1.001  -2.577
  254   2HB   LEU  32          HB3       LEU  32   5.733   0.048  -1.512
  255    HG   LEU  32           HG       LEU  32   2.764  -0.275  -1.493
  256   1HD1  LEU  32          HD11      LEU  32   4.876  -1.438   0.410
  257   2HD1  LEU  32          HD12      LEU  32   3.151  -1.829   0.419
  258   3HD1  LEU  32          HD13      LEU  32   4.164  -2.364  -0.927
  259   1HD2  LEU  32          HD21      LEU  32   3.430   1.823  -0.319
  260   2HD2  LEU  32          HD22      LEU  32   2.866   0.613   0.830
  261   3HD2  LEU  32          HD23      LEU  32   4.619   0.869   0.586
  262    H    THR  33           H        THR  33   4.313   1.944  -5.257
  263    HA   THR  33           HA       THR  33   4.929  -0.302  -6.813
  264    HB   THR  33           HB       THR  33   5.213   2.549  -7.834
  265    HG1  THR  33           HG1      THR  33   3.292   2.392  -6.802
  266   1HG2  THR  33          HG21      THR  33   4.363   1.558  -9.936
  267   2HG2  THR  33          HG22      THR  33   5.882   0.774  -9.467
  268   3HG2  THR  33          HG23      THR  33   4.332  -0.050  -9.185
  269    H    LYS  34           H        LYS  34   7.243   2.365  -6.063
  270    HA   LYS  34           HA       LYS  34   9.418   1.021  -7.473
  271   1HB   LYS  34          HB2       LYS  34   9.344   3.439  -7.167
  272   2HB   LYS  34          HB3       LYS  34   9.457   3.275  -5.410
  273   1HG   LYS  34          HG2       LYS  34  11.548   1.990  -7.181
  274   2HG   LYS  34          HG3       LYS  34  11.599   3.733  -6.960
  275   1HD   LYS  34          HD2       LYS  34  12.104   3.666  -4.719
  276   2HD   LYS  34          HD3       LYS  34  11.373   2.096  -4.430
  277   1HE   LYS  34          HE2       LYS  34  13.970   2.518  -5.980
  278   2HE   LYS  34          HE3       LYS  34  13.835   2.025  -4.282
  279   1HZ   LYS  34          HZ1       LYS  34  14.124   0.089  -5.483
  280   2HZ   LYS  34          HZ2       LYS  34  12.594   0.048  -5.045
  281   3HZ   LYS  34          HZ3       LYS  34  12.945   0.423  -6.607
  282    H    PHE  35           H        PHE  35   7.961   0.615  -4.343
  283    HA   PHE  35           HA       PHE  35  10.385  -0.429  -3.082
  284   1HB   PHE  35          HB2       PHE  35   8.344   0.887  -1.940
  285   2HB   PHE  35          HB3       PHE  35   7.576  -0.702  -1.973
  286    HD1  PHE  35           HD1      PHE  35  11.017   0.706  -1.198
  287    HD2  PHE  35           HD2      PHE  35   7.763  -1.798   0.141
  288    HE1  PHE  35           HE1      PHE  35  12.314   0.098   0.812
  289    HE2  PHE  35           HE2      PHE  35   9.081  -2.387   2.155
  290    HZ   PHE  35           HZ       PHE  35  11.351  -1.456   2.496
  291    H    LEU  36           H        LEU  36   7.551  -1.577  -4.755
  292    HA   LEU  36           HA       LEU  36   7.404  -4.284  -4.297
  293   1HB   LEU  36          HB2       LEU  36   7.638  -2.931  -7.019
  294   2HB   LEU  36          HB3       LEU  36   6.931  -4.505  -6.764
  295    HG   LEU  36           HG       LEU  36   5.796  -1.946  -5.696
  296   1HD1  LEU  36          HD11      LEU  36   4.047  -2.357  -7.365
  297   2HD1  LEU  36          HD12      LEU  36   5.628  -2.220  -8.148
  298   3HD1  LEU  36          HD13      LEU  36   4.893  -3.800  -7.913
  299   1HD2  LEU  36          HD21      LEU  36   4.665  -4.747  -5.496
  300   2HD2  LEU  36          HD22      LEU  36   5.259  -3.764  -4.139
  301   3HD2  LEU  36          HD23      LEU  36   3.845  -3.241  -5.043
  302    H    GLU  37           H        GLU  37   9.986  -2.648  -6.103
  303    HA   GLU  37           HA       GLU  37  11.518  -4.849  -6.917
  304   1HB   GLU  37          HB2       GLU  37  12.420  -2.086  -6.010
  305   2HB   GLU  37          HB3       GLU  37  13.405  -3.233  -6.910
  306   1HG   GLU  37          HG2       GLU  37  11.712  -3.159  -8.770
  307   2HG   GLU  37          HG3       GLU  37  10.822  -1.910  -7.884
  308    H    GLU  38           H        GLU  38  12.205  -2.846  -3.939
  309    HA   GLU  38           HA       GLU  38  14.075  -4.763  -2.948
  310   1HB   GLU  38          HB2       GLU  38  12.583  -2.484  -1.563
  311   2HB   GLU  38          HB3       GLU  38  13.879  -3.438  -0.834
  312   1HG   GLU  38          HG2       GLU  38  14.899  -1.453  -1.615
  313   2HG   GLU  38          HG3       GLU  38  15.413  -2.746  -2.704
  314    H    HIS  39           HN       HIS  39  10.676  -4.201  -2.181
  315    HA   HIS  39           HA       HIS  39  10.464  -5.059   0.331
  316   1HB   HIS  39          HB2       HIS  39   8.683  -3.999  -0.850
  317   2HB   HIS  39          HB3       HIS  39   8.442  -5.418  -1.876
  318    HD1  HIS  39           HD1      HIS  39   7.251  -7.514  -0.755
  319    HD2  HIS  39           HD2      HIS  39   7.944  -4.262   1.789
  320    HE1  HIS  39           HE1      HIS  39   6.102  -8.064   1.440
  321    HA   PRO  40           HA       PRO  40  11.368  -9.566   0.153
  322   1HB   PRO  40          HB2       PRO  40  10.785  -9.126   3.088
  323   2HB   PRO  40          HB3       PRO  40  12.056 -10.131   2.338
  324   1HG   PRO  40          HG2       PRO  40  12.714  -7.707   3.338
  325   2HG   PRO  40          HG3       PRO  40  13.309  -8.160   1.714
  326   1HD   PRO  40          HD2       PRO  40  10.852  -6.507   2.382
  327   2HD   PRO  40          HD3       PRO  40  12.206  -6.109   1.271
  328    H    GLY  41           H        GLY  41   9.619 -10.555  -0.751
  329   1HA   GLY  41          HA1       GLY  41   7.069 -11.293   0.141
  330   2HA   GLY  41          HA2       GLY  41   6.974  -9.573  -0.161
  331    H    GLY  42           H        GLY  42   8.684  -9.029  -2.170
  332   1HA   GLY  42          HA1       GLY  42   8.864  -9.048  -4.479
  333   2HA   GLY  42          HA2       GLY  42   8.039 -10.622  -4.555
  334    H    GLU  43           H        GLU  43   7.327  -8.831  -6.407
  335    HA   GLU  43           HA       GLU  43   5.407  -6.916  -5.550
  336   1HB   GLU  43          HB2       GLU  43   6.618  -6.493  -7.499
  337   2HB   GLU  43          HB3       GLU  43   6.160  -7.966  -8.279
  338   1HG   GLU  43          HG2       GLU  43   3.807  -7.297  -8.387
  339   2HG   GLU  43          HG3       GLU  43   4.161  -5.795  -7.550
  340    H    GLU  44           H        GLU  44   4.778  -9.980  -7.448
  341    HA   GLU  44           HA       GLU  44   2.239 -10.285  -7.556
  342   1HB   GLU  44          HB2       GLU  44   4.333 -12.186  -6.502
  343   2HB   GLU  44          HB3       GLU  44   2.655 -12.736  -6.485
  344   1HG   GLU  44          HG2       GLU  44   4.062 -13.329  -8.554
  345   2HG   GLU  44          HG3       GLU  44   2.424 -12.708  -8.783
  346    H    VAL  45           H        VAL  45   3.582 -11.186  -4.322
  347    HA   VAL  45           HA       VAL  45   0.997 -11.497  -3.210
  348    HB   VAL  45           HB       VAL  45   3.130 -12.482  -2.374
  349   1HG1  VAL  45          HG11      VAL  45   4.538 -11.284  -0.830
  350   2HG1  VAL  45          HG12      VAL  45   4.483 -10.380  -2.355
  351   3HG1  VAL  45          HG13      VAL  45   3.553  -9.820  -0.956
  352   1HG2  VAL  45          HG21      VAL  45   1.385 -11.087  -0.312
  353   2HG2  VAL  45          HG22      VAL  45   1.081 -12.656  -1.076
  354   3HG2  VAL  45          HG23      VAL  45   2.476 -12.451  -0.002
  355    H    LEU  46           H        LEU  46   3.029  -8.600  -3.502
  356    HA   LEU  46           HA       LEU  46   1.320  -6.941  -1.807
  357   1HB   LEU  46          HB2       LEU  46   3.729  -6.535  -3.565
  358   2HB   LEU  46          HB3       LEU  46   2.613  -5.184  -3.468
  359    HG   LEU  46           HG       LEU  46   4.484  -5.064  -1.868
  360   1HD1  LEU  46          HD11      LEU  46   3.184  -4.350   0.045
  361   2HD1  LEU  46          HD12      LEU  46   2.357  -3.888  -1.458
  362   3HD1  LEU  46          HD13      LEU  46   1.771  -5.263  -0.492
  363   1HD2  LEU  46          HD21      LEU  46   3.153  -7.457  -0.545
  364   2HD2  LEU  46          HD22      LEU  46   4.764  -7.418  -1.287
  365   3HD2  LEU  46          HD23      LEU  46   4.401  -6.446   0.170
  366    H    ARG  47           H        ARG  47   1.517  -7.832  -5.229
  367    HA   ARG  47           HA       ARG  47  -0.217  -5.748  -6.193
  368   1HB   ARG  47          HB2       ARG  47   1.401  -6.854  -7.606
  369   2HB   ARG  47          HB3       ARG  47   0.628  -8.418  -7.388
  370   1HG   ARG  47          HG2       ARG  47  -1.028  -8.025  -8.870
  371   2HG   ARG  47          HG3       ARG  47  -1.248  -6.365  -8.366
  372   1HD   ARG  47          HD2       ARG  47  -0.448  -6.763 -10.787
  373   2HD   ARG  47          HD3       ARG  47   0.254  -5.476  -9.822
  374    HE   ARG  47           HE       ARG  47   2.295  -6.333 -10.270
  375   1HH1  ARG  47          HH22      ARG  47   0.265  -9.287  -9.903
  376   2HH1  ARG  47          HH21      ARG  47   1.706 -10.267 -10.274
  377   1HH2  ARG  47          HH11      ARG  47   3.856  -7.653 -10.823
  378   2HH2  ARG  47          HH12      ARG  47   3.637  -9.435 -10.735
  379    H    GLU  48           H        GLU  48  -0.643  -9.146  -5.348
  380    HA   GLU  48           HA       GLU  48  -3.364  -9.591  -5.686
  381   1HB   GLU  48          HB2       GLU  48  -1.551 -11.206  -5.043
  382   2HB   GLU  48          HB3       GLU  48  -1.489 -10.459  -3.447
  383   1HG   GLU  48          HG2       GLU  48  -2.758 -12.509  -3.292
  384   2HG   GLU  48          HG3       GLU  48  -3.925 -11.193  -3.131
  385    H    GLN  49           H        GLN  49  -1.701  -8.261  -2.788
  386    HA   GLN  49           HA       GLN  49  -4.176  -7.860  -1.311
  387   1HB   GLN  49          HB2       GLN  49  -2.168  -8.553  -0.194
  388   2HB   GLN  49          HB3       GLN  49  -1.246  -7.214  -0.888
  389   1HG   GLN  49          HG2       GLN  49  -1.595  -6.887   1.414
  390   2HG   GLN  49          HG3       GLN  49  -2.361  -5.596   0.522
  391   1HE2  GLN  49          HE21      GLN  49  -4.830  -5.797   0.288
  392   2HE2  GLN  49          HE22      GLN  49  -5.608  -6.250   1.797
  393    H    ALA  50           H        ALA  50  -2.121  -5.912  -3.413
  394    HA   ALA  50           HA       ALA  50  -2.899  -3.373  -2.441
  395   1HB   ALA  50          HB1       ALA  50  -0.881  -3.606  -3.710
  396   2HB   ALA  50          HB2       ALA  50  -1.761  -4.292  -5.103
  397   3HB   ALA  50          HB3       ALA  50  -1.964  -2.590  -4.679
  398    H    GLY  51           H        GLY  51  -4.032  -1.743  -3.673
  399   1HA   GLY  51          HA1       GLY  51  -6.114  -0.959  -4.066
  400   2HA   GLY  51          HA2       GLY  51  -6.130  -2.038  -5.469
  401    H    GLY  52           H        GLY  52  -5.888  -2.207  -1.908
  402   1HA   GLY  52          HA1       GLY  52  -8.608  -2.372  -1.363
  403   2HA   GLY  52          HA2       GLY  52  -7.884  -4.005  -1.206
  404    H    ASP  53           H        ASP  53  -8.452  -3.543   0.969
  405    HA   ASP  53           HA       ASP  53  -6.794  -1.693   2.539
  406   1HB   ASP  53          HB2       ASP  53  -9.313  -2.172   2.949
  407   2HB   ASP  53          HB3       ASP  53  -8.757  -3.641   3.760
  408    H    ALA  54           H        ALA  54  -5.012  -2.200   3.547
  409    HA   ALA  54           HA       ALA  54  -4.306  -5.083   4.096
  410   1HB   ALA  54          HB1       ALA  54  -2.084  -4.718   3.332
  411   2HB   ALA  54          HB2       ALA  54  -3.189  -4.207   2.031
  412   3HB   ALA  54          HB3       ALA  54  -2.391  -2.998   3.018
  413    H    THR  55           H        THR  55  -5.475  -2.627   5.687
  414    HA   THR  55           HA       THR  55  -3.369  -1.656   7.291
  415    HB   THR  55           HB       THR  55  -6.274  -2.086   8.172
  416    HG1  THR  55           HG1      THR  55  -6.296  -0.947   6.283
  417   1HG2  THR  55          HG21      THR  55  -4.063  -0.160   8.992
  418   2HG2  THR  55          HG22      THR  55  -5.759  -0.037   9.534
  419   3HG2  THR  55          HG23      THR  55  -4.770  -1.430  10.009
  420    H    GLU  56           H        GLU  56  -5.687  -4.306   8.034
  421    HA   GLU  56           HA       GLU  56  -4.493  -5.125  10.458
  422   1HB   GLU  56          HB2       GLU  56  -6.831  -5.614   9.678
  423   2HB   GLU  56          HB3       GLU  56  -6.190  -6.698   8.434
  424   1HG   GLU  56          HG2       GLU  56  -5.275  -8.174  10.181
  425   2HG   GLU  56          HG3       GLU  56  -5.794  -7.035  11.439
  426    H    ASN  57           H        ASN  57  -4.293  -6.484   7.113
  427    HA   ASN  57           HA       ASN  57  -2.437  -8.442   7.536
  428   1HB   ASN  57          HB2       ASN  57  -3.589  -7.922   5.387
  429   2HB   ASN  57          HB3       ASN  57  -2.438  -6.621   5.064
  430   1HD2  ASN  57          HD21      ASN  57  -0.122  -7.205   4.996
  431   2HD2  ASN  57          HD22      ASN  57   0.367  -8.890   4.736
  432    H    PHE  58           H        PHE  58  -1.611  -5.004   6.874
  433    HA   PHE  58           HA       PHE  58   1.200  -5.308   6.875
  434   1HB   PHE  58          HB2       PHE  58   0.048  -3.313   6.065
  435   2HB   PHE  58          HB3       PHE  58  -0.553  -2.956   7.676
  436    HD1  PHE  58           HD1      PHE  58   0.726  -1.590   9.159
  437    HD2  PHE  58           HD2      PHE  58   2.651  -3.444   5.777
  438    HE1  PHE  58           HE1      PHE  58   2.685  -0.141   9.492
  439    HE2  PHE  58           HE2      PHE  58   4.650  -2.004   6.142
  440    HZ   PHE  58           HZ       PHE  58   4.654  -0.318   7.965
  441    H    GLU  59           H        GLU  59  -0.979  -4.296   9.566
  442    HA   GLU  59           HA       GLU  59   1.098  -4.018  11.499
  443   1HB   GLU  59          HB2       GLU  59  -1.918  -4.444  11.656
  444   2HB   GLU  59          HB3       GLU  59  -0.927  -4.117  13.073
  445   1HG   GLU  59          HG2       GLU  59  -1.006  -2.267  10.624
  446   2HG   GLU  59          HG3       GLU  59  -2.062  -2.114  12.022
  447    H    ASP  60           H        ASP  60  -1.274  -6.557  11.014
  448    HA   ASP  60           HA       ASP  60  -0.832  -8.566  12.739
  449   1HB   ASP  60          HB2       ASP  60  -2.499  -8.670  10.917
  450   2HB   ASP  60          HB3       ASP  60  -1.213  -8.673   9.727
  451    H    HIS  61           H        HIS  61   1.019  -8.178   9.690
  452    HA   HIS  61           HA       HIS  61   2.770 -10.385  10.193
  453   1HB   HIS  61          HB2       HIS  61   3.090  -7.968   8.415
  454   2HB   HIS  61          HB3       HIS  61   4.150  -9.378   8.366
  455    HD1  HIS  61           HD1      HIS  61   0.573 -10.527   8.705
  456    HD2  HIS  61           HD2      HIS  61   3.281  -9.271   5.718
  457    HE1  HIS  61           HE1      HIS  61  -0.369 -11.296   6.483
  458    H    GLY  62           H        GLY  62   2.787  -7.404  11.854
  459   1HA   GLY  62          HA1       GLY  62   4.230  -6.638  13.437
  460   2HA   GLY  62          HA2       GLY  62   5.312  -8.005  13.131
  461    H    HIS  63           HN       HIS  63   4.199  -5.770  10.606
  462    HA   HIS  63           HA       HIS  63   6.792  -5.073   9.679
  463   1HB   HIS  63          HB2       HIS  63   4.057  -3.809   9.342
  464   2HB   HIS  63          HB3       HIS  63   5.518  -3.092   8.665
  465    HD1  HIS  63           HD1      HIS  63   3.144  -5.926   8.008
  466    HD2  HIS  63           HD2      HIS  63   6.801  -4.356   6.705
  467    HE1  HIS  63           HE1      HIS  63   3.567  -6.919   5.690
  468    H    SER  64           H        SER  64   8.248  -4.245  10.998
  469    HA   SER  64           HA       SER  64   7.558  -3.006  13.382
  470   1HB   SER  64          HB2       SER  64  10.349  -3.068  12.202
  471   2HB   SER  64          HB3       SER  64   9.838  -3.339  13.879
  472    HG   SER  64           HG       SER  64   8.589  -5.223  12.779
  473    H    THR  65           H        THR  65   9.285  -1.066  14.061
  474    HA   THR  65           HA       THR  65   8.041   1.313  13.499
  475    HB   THR  65           HB       THR  65  10.591   2.069  14.182
  476    HG1  THR  65           HG1      THR  65  11.612   0.054  13.769
  477   1HG2  THR  65          HG21      THR  65   8.663   2.128  15.726
  478   2HG2  THR  65          HG22      THR  65   8.807   0.373  15.992
  479   3HG2  THR  65          HG23      THR  65  10.102   1.466  16.525
  480    H    ASP  66           H        ASP  66  10.951   0.008  11.944
  481    HA   ASP  66           HA       ASP  66  11.604   2.167  10.362
  482   1HB   ASP  66          HB2       ASP  66  12.081  -0.805   9.820
  483   2HB   ASP  66          HB3       ASP  66  13.080   0.554   9.289
  484    H    ALA  67           H        ALA  67   9.606  -0.676   9.618
  485    HA   ALA  67           HA       ALA  67   9.028  -0.023   6.913
  486   1HB   ALA  67          HB1       ALA  67   8.852  -2.329   7.737
  487   2HB   ALA  67          HB2       ALA  67   7.593  -1.847   8.892
  488   3HB   ALA  67          HB3       ALA  67   7.266  -1.782   7.154
  489    H    ARG  68           H        ARG  68   7.464   0.486  10.051
  490    HA   ARG  68           HA       ARG  68   5.123   1.877   9.311
  491   1HB   ARG  68          HB2       ARG  68   6.756   1.468  11.691
  492   2HB   ARG  68          HB3       ARG  68   6.239   3.129  11.646
  493   1HG   ARG  68          HG2       ARG  68   4.546   2.164  12.826
  494   2HG   ARG  68          HG3       ARG  68   3.837   2.047  11.215
  495   1HD   ARG  68          HD2       ARG  68   4.649  -0.293  11.034
  496   2HD   ARG  68          HD3       ARG  68   5.461  -0.205  12.552
  497    HE   ARG  68           HE       ARG  68   2.588  -0.664  12.170
  498   1HH1  ARG  68          HH22      ARG  68   5.042   0.540  14.393
  499   2HH1  ARG  68          HH21      ARG  68   4.099   0.262  15.829
  500   1HH2  ARG  68          HH11      ARG  68   1.264  -0.894  14.028
  501   2HH2  ARG  68          HH12      ARG  68   1.896  -0.601  15.609
  502    H    GLU  69           H        GLU  69   8.378   3.256  10.040
  503    HA   GLU  69           HA       GLU  69   7.813   5.917   9.406
  504   1HB   GLU  69          HB2       GLU  69   9.928   4.696  10.471
  505   2HB   GLU  69          HB3       GLU  69  10.531   4.711   8.814
  506   1HG   GLU  69          HG2       GLU  69  11.350   6.654  10.032
  507   2HG   GLU  69          HG3       GLU  69  10.204   7.214   8.802
  508    H    LEU  70           H        LEU  70   9.187   3.350   7.343
  509    HA   LEU  70           HA       LEU  70   9.240   4.748   4.961
  510   1HB   LEU  70          HB2       LEU  70   9.250   1.906   5.769
  511   2HB   LEU  70          HB3       LEU  70   8.402   2.094   4.295
  512    HG   LEU  70           HG       LEU  70  10.571   1.649   3.635
  513   1HD1  LEU  70          HD11      LEU  70   9.586   3.942   2.745
  514   2HD1  LEU  70          HD12      LEU  70  10.957   4.642   3.613
  515   3HD1  LEU  70          HD13      LEU  70  11.249   3.448   2.338
  516   1HD2  LEU  70          HD21      LEU  70  12.596   2.689   4.616
  517   2HD2  LEU  70          HD22      LEU  70  11.573   3.581   5.765
  518   3HD2  LEU  70          HD23      LEU  70  11.635   1.807   5.818
  519    H    SER  71           H        SER  71   6.449   3.133   6.467
  520    HA   SER  71           HA       SER  71   4.672   3.488   4.249
  521   1HB   SER  71          HB2       SER  71   3.062   2.558   5.588
  522   2HB   SER  71          HB3       SER  71   4.470   2.005   6.467
  523    HG   SER  71           HG       SER  71   4.190   3.851   7.840
  524    H    LYS  72           H        LYS  72   5.682   5.648   6.846
  525    HA   LYS  72           HA       LYS  72   3.613   7.615   6.440
  526   1HB   LYS  72          HB2       LYS  72   6.492   8.240   7.226
  527   2HB   LYS  72          HB3       LYS  72   5.045   9.206   7.509
  528   1HG   LYS  72          HG2       LYS  72   4.160   7.385   8.961
  529   2HG   LYS  72          HG3       LYS  72   5.675   6.501   8.735
  530   1HD   LYS  72          HD2       LYS  72   6.931   8.521   9.516
  531   2HD   LYS  72          HD3       LYS  72   5.402   9.273   9.999
  532   1HE   LYS  72          HE2       LYS  72   5.026   7.569  11.710
  533   2HE   LYS  72          HE3       LYS  72   6.286   6.536  11.020
  534   1HZ   LYS  72          HZ1       LYS  72   7.707   8.675  11.523
  535   2HZ   LYS  72          HZ2       LYS  72   6.686   8.713  12.845
  536   3HZ   LYS  72          HZ3       LYS  72   7.654   7.402  12.415
  537    H    THR  73           H        THR  73   6.920   7.305   5.174
  538    HA   THR  73           HA       THR  73   6.574   9.559   3.403
  539    HB   THR  73           HB       THR  73   8.794   8.777   4.170
  540    HG1  THR  73           HG1      THR  73   8.357  10.190   2.315
  541   1HG2  THR  73          HG21      THR  73   8.469   6.644   2.022
  542   2HG2  THR  73          HG22      THR  73  10.016   7.172   2.716
  543   3HG2  THR  73          HG23      THR  73   8.796   6.449   3.762
  544    H    PHE  74           H        PHE  74   5.694   6.163   3.015
  545    HA   PHE  74           HA       PHE  74   5.160   6.412   0.157
  546   1HB   PHE  74          HB2       PHE  74   4.036   4.448   2.150
  547   2HB   PHE  74          HB3       PHE  74   4.025   4.288   0.403
  548    HD1  PHE  74           HD1      PHE  74   7.077   5.228   0.082
  549    HD2  PHE  74           HD2      PHE  74   4.960   2.240   2.344
  550    HE1  PHE  74           HE1      PHE  74   9.085   3.784   0.068
  551    HE2  PHE  74           HE2      PHE  74   6.847   0.687   2.008
  552    HZ   PHE  74           HZ       PHE  74   9.020   1.557   1.225
  553    H    ILE  75           H        ILE  75   3.442   7.595   2.946
  554    HA   ILE  75           HA       ILE  75   0.816   7.357   1.910
  555    HB   ILE  75           HB       ILE  75   1.987   9.500   3.684
  556   1HG1  ILE  75          HG12      ILE  75  -0.123   7.340   4.167
  557   2HG1  ILE  75          HG13      ILE  75   1.584   7.053   4.322
  558   1HG2  ILE  75          HG21      ILE  75  -0.908   9.193   2.756
  559   2HG2  ILE  75          HG22      ILE  75  -0.383  10.214   4.108
  560   3HG2  ILE  75          HG23      ILE  75   0.140  10.601   2.479
  561   1HD1  ILE  75          HD11      ILE  75   0.767   7.550   6.539
  562   2HD1  ILE  75          HD12      ILE  75   1.696   8.966   6.014
  563   3HD1  ILE  75          HD13      ILE  75  -0.080   8.998   5.978
  564    H    ILE  76           H        ILE  76   0.002   7.974   0.086
  565    HA   ILE  76           HA       ILE  76   1.080  10.371  -1.396
  566    HB   ILE  76           HB       ILE  76  -0.033   9.167  -3.353
  567   1HG1  ILE  76          HG12      ILE  76   0.259   6.634  -1.734
  568   2HG1  ILE  76          HG13      ILE  76  -1.242   7.559  -1.575
  569   1HG2  ILE  76          HG21      ILE  76   1.895   7.698  -3.736
  570   2HG2  ILE  76          HG22      ILE  76   2.393   9.260  -3.068
  571   3HG2  ILE  76          HG23      ILE  76   2.354   7.827  -2.026
  572   1HD1  ILE  76          HD11      ILE  76  -1.098   5.678  -3.337
  573   2HD1  ILE  76          HD12      ILE  76  -1.941   7.186  -3.696
  574   3HD1  ILE  76          HD13      ILE  76  -0.304   6.923  -4.340
  575    H    GLY  77           H        GLY  77  -1.639   9.284   0.419
  576   1HA   GLY  77          HA1       GLY  77  -3.737  11.022  -0.825
  577   2HA   GLY  77          HA2       GLY  77  -3.598   9.370  -1.411
  578    H    GLU  78           H        GLU  78  -5.891   9.943  -0.263
  579    HA   GLU  78           HA       GLU  78  -5.697   8.203   2.058
  580   1HB   GLU  78          HB2       GLU  78  -7.477  10.688   1.970
  581   2HB   GLU  78          HB3       GLU  78  -7.302   9.528   3.315
  582   1HG   GLU  78          HG2       GLU  78  -4.780  10.366   3.273
  583   2HG   GLU  78          HG3       GLU  78  -5.431  11.735   2.380
  584    H    LEU  79           H        LEU  79  -7.707   7.223   2.514
  585    HA   LEU  79           HA       LEU  79  -8.915   6.238   0.040
  586   1HB   LEU  79          HB2       LEU  79  -8.112   4.610   1.457
  587   2HB   LEU  79          HB3       LEU  79  -8.671   5.399   2.919
  588    HG   LEU  79           HG       LEU  79  -9.821   3.205   1.831
  589   1HD1  LEU  79          HD11      LEU  79 -11.184   5.274   3.494
  590   2HD1  LEU  79          HD12      LEU  79 -11.620   3.557   3.294
  591   3HD1  LEU  79          HD13      LEU  79 -10.075   3.974   4.056
  592   1HD2  LEU  79          HD21      LEU  79 -11.984   5.083   1.227
  593   2HD2  LEU  79          HD22      LEU  79 -10.806   4.709  -0.089
  594   3HD2  LEU  79          HD23      LEU  79 -11.683   3.419   0.723
  595    H    HIS  80           H        HIS  80 -10.540   7.221  -0.818
  596    HA   HIS  80           HA       HIS  80 -11.624   9.291   0.412
  597   1HB   HIS  80          HB2       HIS  80 -11.646   8.959  -2.043
  598   2HB   HIS  80          HB3       HIS  80 -12.993   7.806  -1.836
  599    HD1  HIS  80           HD1      HIS  80 -15.411   9.023  -1.668
  600    HD2  HIS  80           HD2      HIS  80 -12.064  11.447  -0.992
  601    HE1  HIS  80           HE1      HIS  80 -16.301  11.358  -1.139
  602    HA   PRO  81           HA       PRO  81 -13.943   7.555   3.289
  603   1HB   PRO  81          HB2       PRO  81 -15.649  10.152   3.348
  604   2HB   PRO  81          HB3       PRO  81 -14.967   9.330   4.730
  605   1HG   PRO  81          HG2       PRO  81 -13.749  11.608   3.597
  606   2HG   PRO  81          HG3       PRO  81 -12.658  10.217   3.934
  607   1HD   PRO  81          HD2       PRO  81 -14.164  10.885   1.420
  608   2HD   PRO  81          HD3       PRO  81 -12.428  10.645   1.652
  609    H    ASP  82           H        ASP  82 -15.725   8.671   0.736
  610    HA   ASP  82           HA       ASP  82 -18.363   8.049   1.542
  611   1HB   ASP  82          HB2       ASP  82 -17.794   9.311  -0.552
  612   2HB   ASP  82          HB3       ASP  82 -17.046   7.841  -1.230
  613    H    ASP  83           H        ASP  83 -15.615   6.212   0.519
  614    HA   ASP  83           HA       ASP  83 -16.356   3.604   0.132
  615   1HB   ASP  83          HB2       ASP  83 -14.095   4.735   0.234
  616   2HB   ASP  83          HB3       ASP  83 -14.086   4.729   1.912
  617    H    ARG  84           H        ARG  84 -15.509   4.971   3.284
  618    HA   ARG  84           HA       ARG  84 -16.003   2.493   4.509
  619   1HB   ARG  84          HB2       ARG  84 -15.113   5.181   5.564
  620   2HB   ARG  84          HB3       ARG  84 -15.218   3.755   6.610
  621   1HG   ARG  84          HG2       ARG  84 -13.777   3.634   3.965
  622   2HG   ARG  84          HG3       ARG  84 -12.926   4.265   5.334
  623   1HD   ARG  84          HD2       ARG  84 -12.935   2.191   6.478
  624   2HD   ARG  84          HD3       ARG  84 -14.363   1.607   5.644
  625    HE   ARG  84           HE       ARG  84 -13.004   1.603   3.529
  626   1HH1  ARG  84          HH22      ARG  84 -11.387   0.903   6.691
  627   2HH1  ARG  84          HH21      ARG  84 -10.137  -0.043   5.857
  628   1HH2  ARG  84          HH11      ARG  84 -11.358   0.226   2.670
  629   2HH2  ARG  84          HH12      ARG  84 -10.124  -0.401   3.799
  630    HHA  HEM 201           HGM      HEM 201   9.278  -9.005   5.399
  631    HHB  HEM 201           HDM      HEM 201   9.121  -2.604   4.774
  632    HHC  HEM 201           HAM      HEM 201   2.958  -2.982   2.931
  633    HHD  HEM 201           HBM      HEM 201   3.399  -9.433   2.807
  634   1HMA  HEM 201          HM81      HEM 201  11.844  -4.580   6.556
  635   2HMA  HEM 201          HM82      HEM 201  11.857  -3.893   4.917
  636   3HMA  HEM 201          HM83      HEM 201  10.812  -3.207   6.185
  637   1HAA  HEM 201          HP71      HEM 201  11.404  -8.203   5.313
  638   2HAA  HEM 201          HP72      HEM 201  12.281  -6.668   5.745
  639   1HBA  HEM 201          HP73      HEM 201  10.549  -8.480   7.480
  640   2HBA  HEM 201          HP74      HEM 201  11.094  -6.788   7.926
  641   1HMB  HEM 201          HM11      HEM 201   6.808   0.392   4.275
  642   2HMB  HEM 201          HM12      HEM 201   7.922  -0.587   5.201
  643   3HMB  HEM 201          HM13      HEM 201   8.238  -0.326   3.489
  644    HAB  HEM 201          HT2A      HEM 201   3.763  -0.973   2.302
  645   1HBB  HEM 201          HV2C      HEM 201   4.678   0.822   4.411
  646   2HBB  HEM 201          HV2T      HEM 201   2.904   0.420   3.910
  647   1HMC  HEM 201          HM31      HEM 201   0.644  -4.212   3.437
  648   2HMC  HEM 201          HM32      HEM 201   1.118  -3.902   1.764
  649   3HMC  HEM 201          HM33      HEM 201   0.061  -5.278   2.129
  650    HAC  HEM 201          HT4A      HEM 201   0.156  -7.622   2.514
  651   1HBC  HEM 201          HV4C      HEM 201   2.179  -9.027   0.745
  652   2HBC  HEM 201          HV4T      HEM 201   0.327  -8.960   0.559
  653   1HMD  HEM 201          HM51      HEM 201   5.390 -12.415   4.076
  654   2HMD  HEM 201          HM52      HEM 201   3.910 -11.458   4.109
  655   3HMD  HEM 201          HM53      HEM 201   4.804 -11.659   2.584
  656   1HAD  HEM 201          HP61      HEM 201   7.653 -12.167   4.069
  657   2HAD  HEM 201          HP62      HEM 201   8.887 -11.097   4.867
  658   1HBD  HEM 201          HP63      HEM 201   7.775 -11.317   6.997
  659   2HBD  HEM 201          HP64      HEM 201   6.407 -12.262   6.218
  Start of MODEL   19
    1   1H    ALA   3          H1        ALA   3  -4.250  20.338   3.651
    2   2H    ALA   3          H2        ALA   3  -5.227  21.622   4.095
    3   3H    ALA   3          H3        ALA   3  -5.402  20.117   4.781
    4    HA   ALA   3           HA       ALA   3  -5.998  20.907   2.031
    5   1HB   ALA   3          HB1       ALA   3  -8.198  19.901   2.497
    6   2HB   ALA   3          HB2       ALA   3  -7.654  19.387   4.106
    7   3HB   ALA   3          HB3       ALA   3  -7.831  21.115   3.729
    8    H    VAL   4           H        VAL   4  -7.184  18.563   1.135
    9    HA   VAL   4           HA       VAL   4  -4.908  16.815   0.766
   10    HB   VAL   4           HB       VAL   4  -6.290  14.774   1.253
   11   1HG1  VAL   4          HG11      VAL   4  -5.802  16.357   3.779
   12   2HG1  VAL   4          HG12      VAL   4  -5.842  14.594   3.557
   13   3HG1  VAL   4          HG13      VAL   4  -4.536  15.542   2.826
   14   1HG2  VAL   4          HG21      VAL   4  -8.131  15.012   2.949
   15   2HG2  VAL   4          HG22      VAL   4  -8.158  16.745   2.659
   16   3HG2  VAL   4          HG23      VAL   4  -8.552  15.616   1.339
   17    H    LYS   5           H        LYS   5  -5.931  14.976  -0.791
   18    HA   LYS   5           HA       LYS   5  -7.505  16.363  -2.950
   19   1HB   LYS   5          HB2       LYS   5  -5.413  14.148  -3.023
   20   2HB   LYS   5          HB3       LYS   5  -6.539  14.502  -4.345
   21   1HG   LYS   5          HG2       LYS   5  -5.625  16.755  -4.598
   22   2HG   LYS   5          HG3       LYS   5  -4.656  16.573  -3.139
   23   1HD   LYS   5          HD2       LYS   5  -3.311  16.297  -5.231
   24   2HD   LYS   5          HD3       LYS   5  -3.211  14.950  -4.103
   25   1HE   LYS   5          HE2       LYS   5  -3.361  14.187  -6.447
   26   2HE   LYS   5          HE3       LYS   5  -4.660  13.562  -5.435
   27   1HZ   LYS   5          HZ1       LYS   5  -4.901  15.836  -7.300
   28   2HZ   LYS   5          HZ2       LYS   5  -5.475  14.316  -7.553
   29   3HZ   LYS   5          HZ3       LYS   5  -6.112  15.239  -6.355
   30    H    TYR   6           H        TYR   6  -6.674  13.277  -1.516
   31    HA   TYR   6           HA       TYR   6  -7.734  11.488  -0.821
   32   1HB   TYR   6          HB2       TYR   6 -10.487  12.834  -1.127
   33   2HB   TYR   6          HB3       TYR   6 -10.016  11.329  -0.367
   34    HD1  TYR   6           HD1      TYR   6 -11.685  13.118   1.100
   35    HD2  TYR   6           HD2      TYR   6  -7.392  12.720   0.889
   36    HE1  TYR   6           HE1      TYR   6 -11.563  12.771   3.536
   37    HE2  TYR   6           HE2      TYR   6  -7.307  12.240   3.147
   38    HH   TYR   6           HH       TYR   6  -8.568  11.727   5.138
   39    H    TYR   7           H        TYR   7  -8.663   9.767  -1.353
   40    HA   TYR   7           HA       TYR   7  -8.857   9.297  -4.259
   41   1HB   TYR   7          HB2       TYR   7  -6.943   8.805  -2.035
   42   2HB   TYR   7          HB3       TYR   7  -7.182   7.449  -2.890
   43    HD1  TYR   7           HD1      TYR   7  -7.415  10.164  -5.375
   44    HD2  TYR   7           HD2      TYR   7  -4.547   8.149  -2.837
   45    HE1  TYR   7           HE1      TYR   7  -5.656  11.447  -6.374
   46    HE2  TYR   7           HE2      TYR   7  -2.747   9.537  -3.861
   47    HH   TYR   7           HH       TYR   7  -3.247  11.293  -6.809
   48    H    THR   8           H        THR   8 -10.296   8.006  -4.839
   49    HA   THR   8           HA       THR   8 -12.132   6.927  -2.824
   50    HB   THR   8           HB       THR   8 -13.481   6.456  -4.975
   51    HG1  THR   8           HG1      THR   8 -12.636   7.685  -6.785
   52   1HG2  THR   8          HG21      THR   8 -12.618   9.328  -4.386
   53   2HG2  THR   8          HG22      THR   8 -14.065   8.846  -5.296
   54   3HG2  THR   8          HG23      THR   8 -13.923   8.425  -3.584
   55    H    LEU   9           H        LEU   9 -12.845   4.676  -2.936
   56    HA   LEU   9           HA       LEU   9 -10.785   2.756  -3.299
   57   1HB   LEU   9          HB2       LEU   9 -12.311   2.101  -1.937
   58   2HB   LEU   9          HB3       LEU   9 -13.717   2.609  -2.875
   59    HG   LEU   9           HG       LEU   9 -11.935   0.273  -3.740
   60   1HD1  LEU   9          HD11      LEU   9 -14.263   0.159  -1.782
   61   2HD1  LEU   9          HD12      LEU   9 -13.437  -1.244  -2.496
   62   3HD1  LEU   9          HD13      LEU   9 -12.556  -0.161  -1.407
   63   1HD2  LEU   9          HD21      LEU   9 -14.068  -0.574  -4.723
   64   2HD2  LEU   9          HD22      LEU   9 -14.915   0.871  -4.136
   65   3HD2  LEU   9          HD23      LEU   9 -13.674   1.005  -5.395
   66    H    GLU  10           H        GLU  10 -13.172   3.961  -5.607
   67    HA   GLU  10           HA       GLU  10 -12.691   2.407  -7.851
   68   1HB   GLU  10          HB2       GLU  10 -14.230   4.203  -7.958
   69   2HB   GLU  10          HB3       GLU  10 -13.064   5.392  -7.425
   70   1HG   GLU  10          HG2       GLU  10 -13.694   5.682  -9.777
   71   2HG   GLU  10          HG3       GLU  10 -11.965   5.464  -9.549
   72    H    GLU  11           H        GLU  11 -10.844   5.301  -6.942
   73    HA   GLU  11           HA       GLU  11  -8.821   5.011  -8.932
   74   1HB   GLU  11          HB2       GLU  11  -9.375   7.128  -7.362
   75   2HB   GLU  11          HB3       GLU  11  -8.278   6.306  -6.249
   76   1HG   GLU  11          HG2       GLU  11  -7.150   7.994  -7.516
   77   2HG   GLU  11          HG3       GLU  11  -6.552   6.422  -8.113
   78    H    ILE  12           H        ILE  12  -9.096   3.941  -5.540
   79    HA   ILE  12           HA       ILE  12  -6.343   3.312  -5.379
   80    HB   ILE  12           HB       ILE  12  -8.691   2.472  -3.635
   81   1HG1  ILE  12          HG12      ILE  12  -6.537   4.453  -2.844
   82   2HG1  ILE  12          HG13      ILE  12  -7.844   5.018  -3.881
   83   1HG2  ILE  12          HG21      ILE  12  -5.732   2.056  -3.271
   84   2HG2  ILE  12          HG22      ILE  12  -6.824   2.175  -1.881
   85   3HG2  ILE  12          HG23      ILE  12  -7.092   0.905  -3.075
   86   1HD1  ILE  12          HD11      ILE  12  -8.161   3.771  -1.115
   87   2HD1  ILE  12          HD12      ILE  12  -8.273   5.476  -1.570
   88   3HD1  ILE  12          HD13      ILE  12  -9.482   4.322  -2.158
   89    H    GLN  13           H        GLU  13  -9.193   1.445  -6.186
   90    HA   GLN  13           HA       GLU  13  -7.876  -1.108  -6.400
   91   1HB   GLN  13          HB2       GLU  13 -10.468   0.126  -7.433
   92   2HB   GLN  13          HB3       GLU  13  -9.918  -1.383  -8.154
   93   1HG   GLN  13          HG2       GLU  13 -10.036  -1.144  -5.151
   94   2HG   GLN  13          HG3       GLU  13 -11.505  -1.446  -6.083
   95    H    LYS  14           H        LYS  14  -8.728   1.519  -8.650
   96    HA   LYS  14           HA       LYS  14  -7.797   0.569 -11.076
   97   1HB   LYS  14          HB2       LYS  14  -8.700   2.992 -10.134
   98   2HB   LYS  14          HB3       LYS  14  -7.027   3.348 -10.223
   99   1HG   LYS  14          HG2       LYS  14  -7.619   3.959 -12.352
  100   2HG   LYS  14          HG3       LYS  14  -7.480   2.235 -12.743
  101   1HD   LYS  14          HD2       LYS  14  -9.963   3.826 -11.920
  102   2HD   LYS  14          HD3       LYS  14  -9.644   3.163 -13.526
  103   1HE   LYS  14          HE2       LYS  14  -9.893   0.850 -12.649
  104   2HE   LYS  14          HE3       LYS  14 -10.088   1.469 -11.001
  105   1HZ   LYS  14          HZ1       LYS  14 -11.971   2.793 -12.428
  106   2HZ   LYS  14          HZ2       LYS  14 -12.121   1.199 -12.893
  107   3HZ   LYS  14          HZ3       LYS  14 -12.195   1.726 -11.314
  108    H    HIS  15           H        HIS  15  -5.931   2.100  -8.467
  109    HA   HIS  15           HA       HIS  15  -3.330   1.501  -9.674
  110   1HB   HIS  15          HB2       HIS  15  -4.326   2.872  -7.175
  111   2HB   HIS  15          HB3       HIS  15  -2.652   2.363  -7.409
  112    HD1  HIS  15           HD1      HIS  15  -1.127   3.856  -8.702
  113    HD2  HIS  15           HD2      HIS  15  -5.193   4.703  -9.290
  114    HE1  HIS  15           HE1      HIS  15  -1.232   5.987 -10.155
  115    H    ASN  16           H        ASN  16  -4.591  -0.817  -9.492
  116    HA   ASN  16           HA       ASN  16  -2.378  -2.198  -8.087
  117   1HB   ASN  16          HB2       ASN  16  -3.633  -4.079  -7.300
  118   2HB   ASN  16          HB3       ASN  16  -4.232  -2.563  -6.626
  119   1HD2  ASN  16          HD21      ASN  16  -6.088  -3.910  -6.014
  120   2HD2  ASN  16          HD22      ASN  16  -7.462  -3.827  -7.114
  121    H    ASN  17           H        ASN  17  -2.835  -1.264 -10.719
  122    HA   ASN  17           HA       ASN  17  -2.910  -3.809 -12.322
  123   1HB   ASN  17          HB2       ASN  17  -4.651  -2.341 -13.032
  124   2HB   ASN  17          HB3       ASN  17  -3.596  -0.930 -12.998
  125   1HD2  ASN  17          HD21      ASN  17  -3.929  -4.145 -14.641
  126   2HD2  ASN  17          HD22      ASN  17  -3.262  -3.583 -16.162
  127    H    SER  18           H        SER  18  -1.560  -0.801 -13.480
  128    HA   SER  18           HA       SER  18   1.173  -1.232 -12.686
  129   1HB   SER  18          HB2       SER  18   0.886  -3.019 -14.474
  130   2HB   SER  18          HB3       SER  18   0.485  -1.732 -15.622
  131    HG   SER  18           HG       SER  18   2.909  -2.127 -14.181
  132    H    LYS  19           H        LYS  19   0.128   0.798 -11.964
  133    HA   LYS  19           HA       LYS  19   0.537   3.029 -13.909
  134   1HB   LYS  19          HB2       LYS  19  -1.728   2.664 -11.889
  135   2HB   LYS  19          HB3       LYS  19  -1.324   4.224 -12.612
  136   1HG   LYS  19          HG2       LYS  19  -1.994   1.758 -14.283
  137   2HG   LYS  19          HG3       LYS  19  -3.221   2.856 -13.674
  138   1HD   LYS  19          HD2       LYS  19  -2.794   4.476 -15.142
  139   2HD   LYS  19          HD3       LYS  19  -1.049   4.353 -15.017
  140   1HE   LYS  19          HE2       LYS  19  -2.748   2.335 -16.568
  141   2HE   LYS  19          HE3       LYS  19  -2.108   3.814 -17.297
  142   1HZ   LYS  19          HZ1       LYS  19  -0.415   1.727 -16.070
  143   2HZ   LYS  19          HZ2       LYS  19  -0.675   1.917 -17.675
  144   3HZ   LYS  19          HZ3       LYS  19   0.105   3.081 -16.815
  145    H    SER  20           H        SER  20  -0.195   2.524 -10.414
  146    HA   SER  20           HA       SER  20   2.406   2.142  -9.825
  147   1HB   SER  20          HB2       SER  20   2.461   4.737  -9.872
  148   2HB   SER  20          HB3       SER  20   1.423   4.680  -8.439
  149    HG   SER  20           HG       SER  20   3.076   3.965  -7.308
  150    H    THR  21           H        THR  21   2.366   1.342  -7.550
  151    HA   THR  21           HA       THR  21  -0.143  -0.129  -7.344
  152    HB   THR  21           HB       THR  21   2.509  -0.678  -5.950
  153    HG1  THR  21           HG1      THR  21   2.984  -0.351  -8.103
  154   1HG2  THR  21          HG21      THR  21   0.646  -2.100  -5.276
  155   2HG2  THR  21          HG22      THR  21   0.255  -2.461  -6.977
  156   3HG2  THR  21          HG23      THR  21   1.776  -3.034  -6.269
  157    H    TRP  22           H        TRP  22  -1.633   0.611  -5.887
  158    HA   TRP  22           HA       TRP  22  -0.821   2.231  -3.553
  159   1HB   TRP  22          HB2       TRP  22  -3.364   1.892  -5.125
  160   2HB   TRP  22          HB3       TRP  22  -3.352   2.677  -3.576
  161    HD1  TRP  22           HD1      TRP  22  -0.286   3.483  -5.558
  162    HE1  TRP  22           HE1      TRP  22  -0.366   5.762  -6.558
  163    HE3  TRP  22           HE3      TRP  22  -5.054   4.599  -4.356
  164    HZ2  TRP  22           HZ2      TRP  22  -2.551   7.711  -7.287
  165    HZ3  TRP  22           HZ3      TRP  22  -6.214   6.562  -5.339
  166    HH2  TRP  22           HH2      TRP  22  -5.046   8.021  -6.927
  167    H    LEU  23           H        LEU  23  -1.763   1.748  -1.430
  168    HA   LEU  23           HA       LEU  23  -3.647  -0.479  -1.228
  169   1HB   LEU  23          HB2       LEU  23  -1.780  -0.886   0.935
  170   2HB   LEU  23          HB3       LEU  23  -2.394  -2.005  -0.205
  171    HG   LEU  23           HG       LEU  23  -0.436  -0.993  -1.782
  172   1HD1  LEU  23          HD11      LEU  23   1.499  -0.460  -0.406
  173   2HD1  LEU  23          HD12      LEU  23   0.177   0.681  -0.147
  174   3HD1  LEU  23          HD13      LEU  23   0.504  -0.583   1.070
  175   1HD2  LEU  23          HD21      LEU  23   0.025  -2.963   0.466
  176   2HD2  LEU  23          HD22      LEU  23  -0.597  -3.355  -1.157
  177   3HD2  LEU  23          HD23      LEU  23   1.048  -2.706  -0.968
  178    H    ILE  24           H        ILE  24  -4.803  -0.416   0.867
  179    HA   ILE  24           HA       ILE  24  -4.455   2.194   2.281
  180    HB   ILE  24           HB       ILE  24  -6.860   0.457   2.803
  181   1HG1  ILE  24          HG12      ILE  24  -7.186   2.432   0.570
  182   2HG1  ILE  24          HG13      ILE  24  -6.736   0.758   0.207
  183   1HG2  ILE  24          HG21      ILE  24  -6.378   2.466   4.130
  184   2HG2  ILE  24          HG22      ILE  24  -6.523   3.449   2.657
  185   3HG2  ILE  24          HG23      ILE  24  -7.929   2.577   3.301
  186   1HD1  ILE  24          HD11      ILE  24  -9.141   1.307   1.920
  187   2HD1  ILE  24          HD12      ILE  24  -9.186   1.143   0.143
  188   3HD1  ILE  24          HD13      ILE  24  -8.625  -0.189   1.155
  189    H    LEU  25           H        LEU  25  -3.830   2.297   4.219
  190    HA   LEU  25           HA       LEU  25  -3.978  -0.088   6.003
  191   1HB   LEU  25          HB2       LEU  25  -1.751   1.827   5.505
  192   2HB   LEU  25          HB3       LEU  25  -1.901   1.065   7.076
  193    HG   LEU  25           HG       LEU  25  -1.397  -1.064   6.234
  194   1HD1  LEU  25          HD11      LEU  25  -0.781  -1.475   3.810
  195   2HD1  LEU  25          HD12      LEU  25  -2.479  -1.397   4.225
  196   3HD1  LEU  25          HD13      LEU  25  -1.684   0.002   3.423
  197   1HD2  LEU  25          HD21      LEU  25   0.861  -0.717   5.233
  198   2HD2  LEU  25          HD22      LEU  25   0.433   0.948   4.829
  199   3HD2  LEU  25          HD23      LEU  25   0.552   0.455   6.530
  200    H    HIS  26           H        HIS  26  -5.621   0.603   7.326
  201    HA   HIS  26           HA       HIS  26  -7.025   1.910   8.533
  202   1HB   HIS  26          HB2       HIS  26  -5.891   3.187  10.316
  203   2HB   HIS  26          HB3       HIS  26  -5.274   1.553  10.105
  204    HD1  HIS  26           HD1      HIS  26  -4.286   5.119   9.140
  205    HD2  HIS  26           HD2      HIS  26  -2.680   1.273   9.436
  206    HE1  HIS  26           HE1      HIS  26  -1.742   5.355   8.840
  207    H    TYR  27           H        TYR  27  -7.694   2.790   6.418
  208    HA   TYR  27           HA       TYR  27  -8.583   4.406   5.165
  209   1HB   TYR  27          HB2       TYR  27  -7.944   6.224   7.513
  210   2HB   TYR  27          HB3       TYR  27  -8.480   6.843   5.966
  211    HD1  TYR  27           HD1      TYR  27 -10.625   6.188   4.926
  212    HD2  TYR  27           HD2      TYR  27  -9.650   5.514   9.069
  213    HE1  TYR  27           HE1      TYR  27 -12.983   6.573   5.541
  214    HE2  TYR  27           HE2      TYR  27 -12.011   5.908   9.684
  215    HH   TYR  27           HH       TYR  27 -14.062   6.692   8.943
  216    H    LYS  28           H        LYS  28  -5.311   5.256   6.388
  217    HA   LYS  28           HA       LYS  28  -4.908   7.172   4.254
  218   1HB   LYS  28          HB2       LYS  28  -2.823   5.794   5.970
  219   2HB   LYS  28          HB3       LYS  28  -2.613   7.255   4.994
  220   1HG   LYS  28          HG2       LYS  28  -4.129   6.813   7.582
  221   2HG   LYS  28          HG3       LYS  28  -2.798   7.928   7.176
  222   1HD   LYS  28          HD2       LYS  28  -4.307   9.214   5.749
  223   2HD   LYS  28          HD3       LYS  28  -5.666   8.149   6.151
  224   1HE   LYS  28          HE2       LYS  28  -6.178   9.688   7.674
  225   2HE   LYS  28          HE3       LYS  28  -4.969   8.868   8.672
  226   1HZ   LYS  28          HZ1       LYS  28  -3.379  10.554   7.828
  227   2HZ   LYS  28          HZ2       LYS  28  -4.589  11.226   6.940
  228   3HZ   LYS  28          HZ3       LYS  28  -4.673  11.272   8.576
  229    H    VAL  29           H        VAL  29  -3.455   6.998   2.506
  230    HA   VAL  29           HA       VAL  29  -3.509   4.271   1.269
  231    HB   VAL  29           HB       VAL  29  -4.101   6.923  -0.046
  232   1HG1  VAL  29          HG11      VAL  29  -2.751   5.550  -1.596
  233   2HG1  VAL  29          HG12      VAL  29  -3.831   4.174  -1.326
  234   3HG1  VAL  29          HG13      VAL  29  -4.436   5.654  -2.105
  235   1HG2  VAL  29          HG21      VAL  29  -5.722   4.352   0.107
  236   2HG2  VAL  29          HG22      VAL  29  -5.958   5.697   1.235
  237   3HG2  VAL  29          HG23      VAL  29  -6.250   5.937  -0.503
  238    H    TYR  30           H        TYR  30  -1.768   3.531   0.323
  239    HA   TYR  30           HA       TYR  30   0.788   5.013   0.696
  240   1HB   TYR  30          HB2       TYR  30  -0.263   2.216   1.241
  241   2HB   TYR  30          HB3       TYR  30   1.447   2.516   1.247
  242    HD1  TYR  30           HD1      TYR  30  -1.816   2.997   2.874
  243    HD2  TYR  30           HD2      TYR  30   2.355   4.005   3.124
  244    HE1  TYR  30           HE1      TYR  30  -2.176   3.989   5.094
  245    HE2  TYR  30           HE2      TYR  30   1.958   4.970   5.403
  246    HH   TYR  30           HH       TYR  30   0.476   5.301   7.068
  247    H    ASP  31           H        ASP  31   1.974   5.144  -1.247
  248    HA   ASP  31           HA       ASP  31   1.254   3.297  -3.496
  249   1HB   ASP  31          HB2       ASP  31   0.950   5.841  -3.781
  250   2HB   ASP  31          HB3       ASP  31   2.725   5.930  -3.740
  251    H    LEU  32           H        LEU  32   2.969   2.064  -4.294
  252    HA   LEU  32           HA       LEU  32   5.681   2.756  -3.269
  253   1HB   LEU  32          HB2       LEU  32   5.371  -0.142  -3.298
  254   2HB   LEU  32          HB3       LEU  32   6.081   0.934  -2.107
  255    HG   LEU  32           HG       LEU  32   3.139   0.218  -2.255
  256   1HD1  LEU  32          HD11      LEU  32   3.674  -1.221  -0.373
  257   2HD1  LEU  32          HD12      LEU  32   4.893  -1.572  -1.613
  258   3HD1  LEU  32          HD13      LEU  32   5.308  -0.550  -0.227
  259   1HD2  LEU  32          HD21      LEU  32   2.837   1.998  -0.903
  260   2HD2  LEU  32          HD22      LEU  32   3.734   1.122   0.335
  261   3HD2  LEU  32          HD23      LEU  32   4.601   2.239  -0.744
  262    H    THR  33           H        THR  33   4.396   0.095  -5.267
  263    HA   THR  33           HA       THR  33   5.137  -0.879  -7.110
  264    HB   THR  33           HB       THR  33   5.947   1.909  -8.066
  265    HG1  THR  33           HG1      THR  33   3.935   2.213  -8.285
  266   1HG2  THR  33          HG21      THR  33   5.204  -0.642  -9.585
  267   2HG2  THR  33          HG22      THR  33   5.456   0.959 -10.310
  268   3HG2  THR  33          HG23      THR  33   6.814   0.111  -9.553
  269    H    LYS  34           H        LYS  34   7.753   1.626  -6.729
  270    HA   LYS  34           HA       LYS  34   9.864  -0.055  -7.668
  271   1HB   LYS  34          HB2       LYS  34  10.086   2.394  -7.287
  272   2HB   LYS  34          HB3       LYS  34   9.906   2.131  -5.543
  273   1HG   LYS  34          HG2       LYS  34  11.999   0.602  -5.701
  274   2HG   LYS  34          HG3       LYS  34  12.235   1.245  -7.312
  275   1HD   LYS  34          HD2       LYS  34  12.112   2.708  -4.620
  276   2HD   LYS  34          HD3       LYS  34  13.565   2.393  -5.542
  277   1HE   LYS  34          HE2       LYS  34  11.271   4.282  -6.299
  278   2HE   LYS  34          HE3       LYS  34  12.898   4.739  -5.786
  279   1HZ   LYS  34          HZ1       LYS  34  13.753   3.681  -7.775
  280   2HZ   LYS  34          HZ2       LYS  34  12.227   3.289  -8.257
  281   3HZ   LYS  34          HZ3       LYS  34  12.677   4.869  -8.156
  282    H    PHE  35           H        PHE  35   8.254   0.243  -4.555
  283    HA   PHE  35           HA       PHE  35  10.399  -0.938  -3.039
  284   1HB   PHE  35          HB2       PHE  35   8.529   0.695  -2.188
  285   2HB   PHE  35          HB3       PHE  35   7.518  -0.771  -2.194
  286    HD1  PHE  35           HD1      PHE  35  10.921   0.398  -1.048
  287    HD2  PHE  35           HD2      PHE  35   7.511  -2.118  -0.221
  288    HE1  PHE  35           HE1      PHE  35  12.058  -0.478   0.943
  289    HE2  PHE  35           HE2      PHE  35   8.655  -2.983   1.769
  290    HZ   PHE  35           HZ       PHE  35  10.930  -2.164   2.386
  291    H    LEU  36           H        LEU  36   7.662  -2.080  -4.852
  292    HA   LEU  36           HA       LEU  36   7.089  -4.594  -3.745
  293   1HB   LEU  36          HB2       LEU  36   7.443  -3.794  -6.678
  294   2HB   LEU  36          HB3       LEU  36   6.632  -5.175  -6.088
  295    HG   LEU  36           HG       LEU  36   5.531  -2.478  -5.460
  296   1HD1  LEU  36          HD11      LEU  36   3.943  -3.026  -7.312
  297   2HD1  LEU  36          HD12      LEU  36   5.604  -3.032  -7.951
  298   3HD1  LEU  36          HD13      LEU  36   4.786  -4.548  -7.599
  299   1HD2  LEU  36          HD21      LEU  36   3.580  -3.680  -4.776
  300   2HD2  LEU  36          HD22      LEU  36   4.168  -5.205  -5.460
  301   3HD2  LEU  36          HD23      LEU  36   4.938  -4.539  -4.021
  302    H    GLU  37           H        GLU  37   9.836  -3.526  -5.726
  303    HA   GLU  37           HA       GLU  37  10.944  -6.167  -6.128
  304   1HB   GLU  37          HB2       GLU  37  11.178  -3.981  -7.511
  305   2HB   GLU  37          HB3       GLU  37  12.420  -3.506  -6.351
  306   1HG   GLU  37          HG2       GLU  37  12.423  -6.098  -7.978
  307   2HG   GLU  37          HG3       GLU  37  13.202  -4.596  -8.494
  308    H    GLU  38           H        GLU  38  11.740  -3.375  -4.065
  309    HA   GLU  38           HA       GLU  38  13.884  -4.451  -2.596
  310   1HB   GLU  38          HB2       GLU  38  11.797  -2.417  -1.696
  311   2HB   GLU  38          HB3       GLU  38  13.414  -2.614  -1.028
  312   1HG   GLU  38          HG2       GLU  38  14.434  -1.866  -3.122
  313   2HG   GLU  38          HG3       GLU  38  12.862  -1.761  -3.920
  314    H    HIS  39           HN       HIS  39  10.435  -4.760  -2.169
  315    HA   HIS  39           HA       HIS  39  10.152  -5.068   0.511
  316   1HB   HIS  39          HB2       HIS  39   8.351  -4.641  -1.078
  317   2HB   HIS  39          HB3       HIS  39   8.486  -6.279  -1.727
  318    HD1  HIS  39           HD1      HIS  39   6.093  -7.107  -1.025
  319    HD2  HIS  39           HD2      HIS  39   8.265  -5.153   2.001
  320    HE1  HIS  39           HE1      HIS  39   4.626  -7.121   1.053
  321    HA   PRO  40           HA       PRO  40  11.831  -9.263   1.290
  322   1HB   PRO  40          HB2       PRO  40  10.420  -8.530   3.896
  323   2HB   PRO  40          HB3       PRO  40  11.920  -9.465   3.653
  324   1HG   PRO  40          HG2       PRO  40  12.135  -6.831   4.245
  325   2HG   PRO  40          HG3       PRO  40  13.083  -7.479   2.881
  326   1HD   PRO  40          HD2       PRO  40  10.407  -6.053   2.756
  327   2HD   PRO  40          HD3       PRO  40  11.909  -5.705   1.851
  328    H    GLY  41           H        GLY  41   8.473  -8.110   1.754
  329   1HA   GLY  41          HA1       GLY  41   7.235 -10.718   1.748
  330   2HA   GLY  41          HA2       GLY  41   6.464  -9.167   1.448
  331    H    GLY  42           H        GLY  42   8.528  -8.700  -0.850
  332   1HA   GLY  42          HA1       GLY  42   8.770  -9.260  -3.047
  333   2HA   GLY  42          HA2       GLY  42   7.649 -10.617  -2.880
  334    H    GLU  43           H        GLU  43   7.334  -9.385  -5.099
  335    HA   GLU  43           HA       GLU  43   5.626  -7.038  -5.017
  336   1HB   GLU  43          HB2       GLU  43   7.465  -7.333  -6.662
  337   2HB   GLU  43          HB3       GLU  43   6.637  -8.705  -7.335
  338   1HG   GLU  43          HG2       GLU  43   4.753  -6.626  -7.409
  339   2HG   GLU  43          HG3       GLU  43   6.321  -5.978  -8.018
  340    H    GLU  44           H        GLU  44   5.161 -10.277  -6.576
  341    HA   GLU  44           HA       GLU  44   2.531 -10.367  -7.134
  342   1HB   GLU  44          HB2       GLU  44   4.532 -12.289  -6.554
  343   2HB   GLU  44          HB3       GLU  44   3.291 -12.775  -5.486
  344   1HG   GLU  44          HG2       GLU  44   3.099 -13.997  -7.573
  345   2HG   GLU  44          HG3       GLU  44   1.637 -13.154  -7.047
  346    H    VAL  45           H        VAL  45   3.748 -11.416  -4.105
  347    HA   VAL  45           HA       VAL  45   1.452 -11.751  -2.621
  348    HB   VAL  45           HB       VAL  45   4.214 -10.766  -1.757
  349   1HG1  VAL  45          HG11      VAL  45   2.899 -10.017   0.066
  350   2HG1  VAL  45          HG12      VAL  45   1.914 -11.508   0.082
  351   3HG1  VAL  45          HG13      VAL  45   3.614 -11.529   0.586
  352   1HG2  VAL  45          HG21      VAL  45   4.170 -13.086  -2.595
  353   2HG2  VAL  45          HG22      VAL  45   4.485 -13.046  -0.841
  354   3HG2  VAL  45          HG23      VAL  45   2.872 -13.484  -1.441
  355    H    LEU  46           H        LEU  46   2.977  -8.651  -3.400
  356    HA   LEU  46           HA       LEU  46   1.286  -7.269  -1.442
  357   1HB   LEU  46          HB2       LEU  46   3.745  -6.813  -1.750
  358   2HB   LEU  46          HB3       LEU  46   3.350  -6.094  -3.314
  359    HG   LEU  46           HG       LEU  46   1.960  -4.402  -2.189
  360   1HD1  LEU  46          HD11      LEU  46   1.044  -5.523  -0.249
  361   2HD1  LEU  46          HD12      LEU  46   2.672  -5.968   0.322
  362   3HD1  LEU  46          HD13      LEU  46   2.111  -4.290   0.392
  363   1HD2  LEU  46          HD21      LEU  46   4.088  -3.541  -2.325
  364   2HD2  LEU  46          HD22      LEU  46   3.901  -3.500  -0.575
  365   3HD2  LEU  46          HD23      LEU  46   4.822  -4.806  -1.319
  366    H    ARG  47           H        ARG  47   1.674  -7.606  -4.977
  367    HA   ARG  47           HA       ARG  47  -0.335  -5.717  -5.759
  368   1HB   ARG  47          HB2       ARG  47   0.782  -8.228  -7.046
  369   2HB   ARG  47          HB3       ARG  47  -0.623  -7.382  -7.722
  370   1HG   ARG  47          HG2       ARG  47   0.715  -5.250  -7.706
  371   2HG   ARG  47          HG3       ARG  47   2.158  -6.206  -7.346
  372   1HD   ARG  47          HD2       ARG  47   0.344  -6.738  -9.781
  373   2HD   ARG  47          HD3       ARG  47   1.631  -5.550  -9.786
  374    HE   ARG  47           HE       ARG  47   3.263  -7.077  -9.885
  375   1HH1  ARG  47          HH22      ARG  47   0.251  -8.840  -9.267
  376   2HH1  ARG  47          HH21      ARG  47   1.008 -10.412  -9.469
  377   1HH2  ARG  47          HH11      ARG  47   4.242  -9.149 -10.040
  378   2HH2  ARG  47          HH12      ARG  47   3.276 -10.578  -9.979
  379    H    GLU  48           H        GLU  48  -0.477  -9.116  -4.839
  380    HA   GLU  48           HA       GLU  48  -3.148  -9.807  -5.042
  381   1HB   GLU  48          HB2       GLU  48  -1.274 -11.244  -4.406
  382   2HB   GLU  48          HB3       GLU  48  -1.054 -10.282  -2.935
  383   1HG   GLU  48          HG2       GLU  48  -2.999 -11.201  -1.921
  384   2HG   GLU  48          HG3       GLU  48  -3.576 -11.891  -3.458
  385    H    GLN  49           H        GLN  49  -1.749  -7.489  -2.759
  386    HA   GLN  49           HA       GLN  49  -4.384  -7.205  -1.324
  387   1HB   GLN  49          HB2       GLN  49  -1.518  -6.541  -0.544
  388   2HB   GLN  49          HB3       GLN  49  -2.925  -6.179   0.434
  389   1HG   GLN  49          HG2       GLN  49  -1.956  -8.981  -0.415
  390   2HG   GLN  49          HG3       GLN  49  -1.752  -8.209   1.151
  391   1HE2  GLN  49          HE21      GLN  49  -4.441  -9.310  -1.063
  392   2HE2  GLN  49          HE22      GLN  49  -5.453  -9.769   0.291
  393    H    ALA  50           H        ALA  50  -2.018  -5.603  -3.254
  394    HA   ALA  50           HA       ALA  50  -2.570  -2.916  -2.716
  395   1HB   ALA  50          HB1       ALA  50  -0.758  -3.702  -4.201
  396   2HB   ALA  50          HB2       ALA  50  -1.974  -4.176  -5.421
  397   3HB   ALA  50          HB3       ALA  50  -1.764  -2.471  -5.008
  398    H    GLY  51           H        GLY  51  -3.876  -1.345  -3.769
  399   1HA   GLY  51          HA1       GLY  51  -5.989  -0.535  -4.225
  400   2HA   GLY  51          HA2       GLY  51  -6.011  -1.693  -5.532
  401    H    GLY  52           H        GLY  52  -5.639  -2.185  -1.990
  402   1HA   GLY  52          HA1       GLY  52  -8.434  -2.271  -1.465
  403   2HA   GLY  52          HA2       GLY  52  -7.658  -3.883  -1.393
  404    H    ASP  53           H        ASP  53  -8.586  -3.018   0.740
  405    HA   ASP  53           HA       ASP  53  -6.733  -1.611   2.492
  406   1HB   ASP  53          HB2       ASP  53  -9.229  -1.658   2.913
  407   2HB   ASP  53          HB3       ASP  53  -9.052  -3.363   3.377
  408    H    ALA  54           H        ALA  54  -4.955  -2.416   3.284
  409    HA   ALA  54           HA       ALA  54  -4.715  -5.379   3.773
  410   1HB   ALA  54          HB1       ALA  54  -2.467  -5.308   3.034
  411   2HB   ALA  54          HB2       ALA  54  -3.420  -4.485   1.780
  412   3HB   ALA  54          HB3       ALA  54  -2.469  -3.525   2.925
  413    H    THR  55           H        THR  55  -5.645  -3.105   5.553
  414    HA   THR  55           HA       THR  55  -3.504  -2.231   7.159
  415    HB   THR  55           HB       THR  55  -6.364  -2.664   8.154
  416    HG1  THR  55           HG1      THR  55  -6.595  -1.542   6.309
  417   1HG2  THR  55          HG21      THR  55  -4.210  -0.584   8.774
  418   2HG2  THR  55          HG22      THR  55  -5.843  -0.649   9.478
  419   3HG2  THR  55          HG23      THR  55  -4.668  -1.925   9.846
  420    H    GLU  56           H        GLU  56  -5.831  -4.950   7.757
  421    HA   GLU  56           HA       GLU  56  -4.750  -5.818  10.180
  422   1HB   GLU  56          HB2       GLU  56  -6.192  -7.415   7.997
  423   2HB   GLU  56          HB3       GLU  56  -5.959  -7.905   9.679
  424   1HG   GLU  56          HG2       GLU  56  -7.233  -5.869  10.414
  425   2HG   GLU  56          HG3       GLU  56  -7.586  -5.500   8.717
  426    H    ASN  57           H        ASN  57  -4.181  -6.996   6.826
  427    HA   ASN  57           HA       ASN  57  -2.247  -8.910   7.382
  428   1HB   ASN  57          HB2       ASN  57  -3.417  -8.386   5.213
  429   2HB   ASN  57          HB3       ASN  57  -2.250  -7.088   4.938
  430   1HD2  ASN  57          HD21      ASN  57  -2.748  -9.552   3.335
  431   2HD2  ASN  57          HD22      ASN  57  -1.234 -10.449   3.377
  432    H    PHE  58           H        PHE  58  -1.678  -5.405   6.740
  433    HA   PHE  58           HA       PHE  58   1.127  -5.449   6.970
  434   1HB   PHE  58          HB2       PHE  58  -0.198  -3.564   6.098
  435   2HB   PHE  58          HB3       PHE  58  -0.813  -3.232   7.709
  436    HD1  PHE  58           HD1      PHE  58   0.391  -1.756   9.166
  437    HD2  PHE  58           HD2      PHE  58   2.389  -3.499   5.760
  438    HE1  PHE  58           HE1      PHE  58   2.257  -0.165   9.439
  439    HE2  PHE  58           HE2      PHE  58   4.268  -1.905   6.049
  440    HZ   PHE  58           HZ       PHE  58   4.218  -0.242   7.895
  441    H    GLU  59           H        GLU  59  -1.313  -4.759   9.530
  442    HA   GLU  59           HA       GLU  59   0.592  -4.306  11.613
  443   1HB   GLU  59          HB2       GLU  59  -2.381  -5.045  11.594
  444   2HB   GLU  59          HB3       GLU  59  -1.482  -4.671  13.066
  445   1HG   GLU  59          HG2       GLU  59  -1.817  -2.767  10.692
  446   2HG   GLU  59          HG3       GLU  59  -2.739  -2.707  12.200
  447    H    ASP  60           H        ASP  60  -1.521  -7.026  10.974
  448    HA   ASP  60           HA       ASP  60  -0.904  -9.048  12.646
  449   1HB   ASP  60          HB2       ASP  60  -2.557  -9.176  10.778
  450   2HB   ASP  60          HB3       ASP  60  -1.239  -9.113   9.623
  451    H    HIS  61           H        HIS  61   0.875  -8.402   9.587
  452    HA   HIS  61           HA       HIS  61   2.888 -10.374  10.112
  453   1HB   HIS  61          HB2       HIS  61   2.655  -8.075   8.161
  454   2HB   HIS  61          HB3       HIS  61   4.085  -9.107   8.222
  455    HD1  HIS  61           HD1      HIS  61   0.611 -10.784   8.637
  456    HD2  HIS  61           HD2      HIS  61   3.776 -10.211   5.916
  457    HE1  HIS  61           HE1      HIS  61   0.216 -12.377   6.715
  458    H    GLY  62           H        GLY  62   2.555  -7.412  11.716
  459   1HA   GLY  62          HA1       GLY  62   3.896  -6.414  13.249
  460   2HA   GLY  62          HA2       GLY  62   4.958  -7.829  13.145
  461    H    HIS  63           HN       HIS  63   4.103  -5.530  10.562
  462    HA   HIS  63           HA       HIS  63   6.644  -5.261   9.487
  463   1HB   HIS  63          HB2       HIS  63   4.153  -3.540   9.444
  464   2HB   HIS  63          HB3       HIS  63   5.636  -2.967   8.682
  465    HD1  HIS  63           HD1      HIS  63   3.099  -5.834   8.247
  466    HD2  HIS  63           HD2      HIS  63   6.459  -4.042   6.494
  467    HE1  HIS  63           HE1      HIS  63   3.297  -6.826   5.895
  468    H    SER  64           H        SER  64   8.499  -4.359  10.101
  469    HA   SER  64           HA       SER  64   8.709  -3.285  12.694
  470   1HB   SER  64          HB2       SER  64  10.798  -3.240  10.480
  471   2HB   SER  64          HB3       SER  64  11.100  -3.145  12.220
  472    HG   SER  64           HG       SER  64  10.024  -5.328  10.759
  473    H    THR  65           H        THR  65  10.225  -1.316  13.122
  474    HA   THR  65           HA       THR  65   8.884   1.098  12.848
  475    HB   THR  65           HB       THR  65  11.453   1.868  13.228
  476    HG1  THR  65           HG1      THR  65  12.547  -0.004  12.632
  477   1HG2  THR  65          HG21      THR  65   9.755   1.770  15.023
  478   2HG2  THR  65          HG22      THR  65   9.997   0.013  15.172
  479   3HG2  THR  65          HG23      THR  65  11.313   1.130  15.583
  480    H    ASP  66           H        ASP  66  11.701  -0.022  10.915
  481    HA   ASP  66           HA       ASP  66  11.851   2.251   9.333
  482   1HB   ASP  66          HB2       ASP  66  12.719  -0.608   8.664
  483   2HB   ASP  66          HB3       ASP  66  13.433   0.895   8.060
  484    H    ALA  67           H        ALA  67   9.881  -0.670   8.845
  485    HA   ALA  67           HA       ALA  67   8.991  -0.038   6.200
  486   1HB   ALA  67          HB1       ALA  67   8.813  -2.323   7.111
  487   2HB   ALA  67          HB2       ALA  67   7.723  -1.756   8.381
  488   3HB   ALA  67          HB3       ALA  67   7.207  -1.689   6.695
  489    H    ARG  68           H        ARG  68   7.859   0.523   9.529
  490    HA   ARG  68           HA       ARG  68   5.507   2.000   9.024
  491   1HB   ARG  68          HB2       ARG  68   7.229   1.367  11.262
  492   2HB   ARG  68          HB3       ARG  68   6.936   3.085  11.328
  493   1HG   ARG  68          HG2       ARG  68   5.174   2.204  12.560
  494   2HG   ARG  68          HG3       ARG  68   4.403   2.326  10.972
  495   1HD   ARG  68          HD2       ARG  68   5.241  -0.132  10.615
  496   2HD   ARG  68          HD3       ARG  68   5.666  -0.108  12.325
  497    HE   ARG  68           HE       ARG  68   2.914   0.721  11.734
  498   1HH1  ARG  68          HH22      ARG  68   4.878  -2.177  12.461
  499   2HH1  ARG  68          HH21      ARG  68   3.609  -2.897  13.406
  500   1HH2  ARG  68          HH11      ARG  68   1.153  -0.584  12.521
  501   2HH2  ARG  68          HH12      ARG  68   1.446  -1.888  13.480
  502    H    GLU  69           H        GLU  69   8.824   3.272   9.542
  503    HA   GLU  69           HA       GLU  69   8.483   5.942   8.839
  504   1HB   GLU  69          HB2       GLU  69  10.819   4.053   8.450
  505   2HB   GLU  69          HB3       GLU  69  10.934   5.769   8.201
  506   1HG   GLU  69          HG2       GLU  69  10.288   4.383  10.832
  507   2HG   GLU  69          HG3       GLU  69  11.739   5.269  10.379
  508    H    LEU  70           H        LEU  70   9.475   3.325   6.661
  509    HA   LEU  70           HA       LEU  70   9.208   4.782   4.332
  510   1HB   LEU  70          HB2       LEU  70   9.243   1.875   4.975
  511   2HB   LEU  70          HB3       LEU  70   8.225   2.181   3.664
  512    HG   LEU  70           HG       LEU  70  10.265   1.760   2.660
  513   1HD1  LEU  70          HD11      LEU  70  10.723   4.741   2.779
  514   2HD1  LEU  70          HD12      LEU  70  10.770   3.641   1.396
  515   3HD1  LEU  70          HD13      LEU  70   9.208   4.143   2.097
  516   1HD2  LEU  70          HD21      LEU  70  11.585   3.547   4.734
  517   2HD2  LEU  70          HD22      LEU  70  11.611   1.767   4.678
  518   3HD2  LEU  70          HD23      LEU  70  12.422   2.708   3.407
  519    H    SER  71           H        SER  71   6.510   3.348   6.184
  520    HA   SER  71           HA       SER  71   4.662   3.583   3.988
  521   1HB   SER  71          HB2       SER  71   3.069   2.762   5.425
  522   2HB   SER  71          HB3       SER  71   4.519   2.168   6.217
  523    HG   SER  71           HG       SER  71   3.174   3.136   7.729
  524    H    LYS  72           H        LYS  72   5.723   5.747   6.558
  525    HA   LYS  72           HA       LYS  72   3.777   7.823   6.055
  526   1HB   LYS  72          HB2       LYS  72   6.657   8.134   6.999
  527   2HB   LYS  72          HB3       LYS  72   5.380   9.351   7.103
  528   1HG   LYS  72          HG2       LYS  72   4.011   7.817   8.432
  529   2HG   LYS  72          HG3       LYS  72   5.300   6.614   8.469
  530   1HD   LYS  72          HD2       LYS  72   5.696   9.478   9.505
  531   2HD   LYS  72          HD3       LYS  72   5.109   8.157  10.547
  532   1HE   LYS  72          HE2       LYS  72   7.041   6.799  10.061
  533   2HE   LYS  72          HE3       LYS  72   7.690   8.010   8.918
  534   1HZ   LYS  72          HZ1       LYS  72   8.073   7.752  11.642
  535   2HZ   LYS  72          HZ2       LYS  72   8.876   8.547  10.574
  536   3HZ   LYS  72          HZ3       LYS  72   7.578   9.339  11.290
  537    H    THR  73           H        THR  73   7.058   7.314   4.890
  538    HA   THR  73           HA       THR  73   7.300   9.354   3.002
  539    HB   THR  73           HB       THR  73   8.400   6.544   2.625
  540    HG1  THR  73           HG1      THR  73   9.948   7.120   4.140
  541   1HG2  THR  73          HG21      THR  73   9.617   9.270   2.065
  542   2HG2  THR  73          HG22      THR  73  10.383   7.685   1.800
  543   3HG2  THR  73          HG23      THR  73   8.963   8.154   0.844
  544    H    PHE  74           H        PHE  74   5.681   6.192   2.680
  545    HA   PHE  74           HA       PHE  74   5.095   6.567  -0.169
  546   1HB   PHE  74          HB2       PHE  74   4.134   4.525   1.844
  547   2HB   PHE  74          HB3       PHE  74   3.925   4.418   0.107
  548    HD1  PHE  74           HD1      PHE  74   5.120   2.327   1.922
  549    HD2  PHE  74           HD2      PHE  74   6.870   5.353  -0.601
  550    HE1  PHE  74           HE1      PHE  74   7.023   0.822   1.366
  551    HE2  PHE  74           HE2      PHE  74   8.906   3.974  -0.832
  552    HZ   PHE  74           HZ       PHE  74   9.051   1.790   0.394
  553    H    ILE  75           H        ILE  75   3.531   7.709   2.696
  554    HA   ILE  75           HA       ILE  75   0.852   7.416   1.833
  555    HB   ILE  75           HB       ILE  75   2.118   9.548   3.546
  556   1HG1  ILE  75          HG12      ILE  75  -0.055   7.447   4.056
  557   2HG1  ILE  75          HG13      ILE  75   1.653   7.139   4.201
  558   1HG2  ILE  75          HG21      ILE  75   0.282  10.749   2.425
  559   2HG2  ILE  75          HG22      ILE  75  -0.827   9.393   2.747
  560   3HG2  ILE  75          HG23      ILE  75  -0.180  10.377   4.074
  561   1HD1  ILE  75          HD11      ILE  75   0.865   7.614   6.419
  562   2HD1  ILE  75          HD12      ILE  75   1.778   9.048   5.906
  563   3HD1  ILE  75          HD13      ILE  75   0.000   9.062   5.886
  564    H    ILE  76           H        ILE  76  -0.312   8.164   0.241
  565    HA   ILE  76           HA       ILE  76   0.575  10.610  -1.293
  566    HB   ILE  76           HB       ILE  76  -0.553   9.431  -3.233
  567   1HG1  ILE  76          HG12      ILE  76  -0.052   6.846  -1.742
  568   2HG1  ILE  76          HG13      ILE  76  -1.593   7.671  -1.496
  569   1HG2  ILE  76          HG21      ILE  76   1.425   8.158  -3.827
  570   2HG2  ILE  76          HG22      ILE  76   1.891   9.650  -3.007
  571   3HG2  ILE  76          HG23      ILE  76   1.954   8.110  -2.132
  572   1HD1  ILE  76          HD11      ILE  76  -2.357   7.304  -3.609
  573   2HD1  ILE  76          HD12      ILE  76  -0.735   7.229  -4.327
  574   3HD1  ILE  76          HD13      ILE  76  -1.365   5.868  -3.364
  575    H    GLY  77           H        GLY  77  -1.974   9.249   0.620
  576   1HA   GLY  77          HA1       GLY  77  -4.179  11.008  -0.340
  577   2HA   GLY  77          HA2       GLY  77  -4.044   9.441  -1.118
  578    H    GLU  78           H        GLU  78  -6.258   9.754   0.152
  579    HA   GLU  78           HA       GLU  78  -6.005   7.786   2.266
  580   1HB   GLU  78          HB2       GLU  78  -7.794  10.226   2.595
  581   2HB   GLU  78          HB3       GLU  78  -7.487   8.963   3.794
  582   1HG   GLU  78          HG2       GLU  78  -5.014   9.591   3.752
  583   2HG   GLU  78          HG3       GLU  78  -5.439  11.059   2.888
  584    H    LEU  79           H        LEU  79  -7.834   6.645   2.492
  585    HA   LEU  79           HA       LEU  79  -9.423   6.088   0.149
  586   1HB   LEU  79          HB2       LEU  79  -8.576   4.420   1.781
  587   2HB   LEU  79          HB3       LEU  79  -9.599   5.126   3.021
  588    HG   LEU  79           HG       LEU  79 -10.158   3.048   1.129
  589   1HD1  LEU  79          HD11      LEU  79 -12.203   2.794   2.503
  590   2HD1  LEU  79          HD12      LEU  79 -10.744   3.018   3.497
  591   3HD1  LEU  79          HD13      LEU  79 -11.873   4.382   3.229
  592   1HD2  LEU  79          HD21      LEU  79 -12.236   3.517   0.202
  593   2HD2  LEU  79          HD22      LEU  79 -12.264   5.144   0.889
  594   3HD2  LEU  79          HD23      LEU  79 -11.097   4.716  -0.409
  595    H    HIS  80           H        HIS  80 -11.152   7.161  -0.438
  596    HA   HIS  80           HA       HIS  80 -11.847   9.388   0.794
  597   1HB   HIS  80          HB2       HIS  80 -12.285   8.723  -1.535
  598   2HB   HIS  80          HB3       HIS  80 -13.700   7.816  -1.028
  599    HD1  HIS  80           HD1      HIS  80 -15.872   9.446  -1.142
  600    HD2  HIS  80           HD2      HIS  80 -12.145  11.298  -0.658
  601    HE1  HIS  80           HE1      HIS  80 -16.337  11.965  -1.046
  602    HA   PRO  81           HA       PRO  81 -14.519   8.234   3.973
  603   1HB   PRO  81          HB2       PRO  81 -15.962  10.936   3.685
  604   2HB   PRO  81          HB3       PRO  81 -15.298  10.254   5.168
  605   1HG   PRO  81          HG2       PRO  81 -13.981  12.246   3.743
  606   2HG   PRO  81          HG3       PRO  81 -13.008  10.860   4.349
  607   1HD   PRO  81          HD2       PRO  81 -14.276  11.242   1.641
  608   2HD   PRO  81          HD3       PRO  81 -12.579  10.853   2.049
  609    H    ASP  82           H        ASP  82 -16.229   9.703   1.301
  610    HA   ASP  82           HA       ASP  82 -18.791   8.851   2.178
  611   1HB   ASP  82          HB2       ASP  82 -18.274  10.628   0.432
  612   2HB   ASP  82          HB3       ASP  82 -17.853   9.315  -0.695
  613    H    ASP  83           H        ASP  83 -16.154   7.102   1.270
  614    HA   ASP  83           HA       ASP  83 -17.235   4.985  -0.378
  615   1HB   ASP  83          HB2       ASP  83 -14.754   6.383   0.208
  616   2HB   ASP  83          HB3       ASP  83 -14.454   4.758   0.634
  617    H    ARG  84           H        ARG  84 -15.502   5.386   2.683
  618    HA   ARG  84           HA       ARG  84 -15.369   2.675   3.319
  619   1HB   ARG  84          HB2       ARG  84 -13.885   4.535   4.060
  620   2HB   ARG  84          HB3       ARG  84 -15.114   5.063   5.206
  621   1HG   ARG  84          HG2       ARG  84 -14.241   2.172   5.273
  622   2HG   ARG  84          HG3       ARG  84 -13.092   3.389   5.840
  623   1HD   ARG  84          HD2       ARG  84 -14.578   4.178   7.538
  624   2HD   ARG  84          HD3       ARG  84 -15.966   3.343   6.897
  625    HE   ARG  84           HE       ARG  84 -13.794   2.254   8.536
  626   1HH1  ARG  84          HH22      ARG  84 -16.477   1.380   6.335
  627   2HH1  ARG  84          HH21      ARG  84 -16.762  -0.149   7.073
  628   1HH2  ARG  84          HH11      ARG  84 -14.131   0.175   9.464
  629   2HH2  ARG  84          HH12      ARG  84 -15.373  -0.870   8.851
  630    HHA  HEM 201           HGM      HEM 201   8.832  -8.633   5.511
  631    HHB  HEM 201           HDM      HEM 201   8.735  -2.408   4.426
  632    HHC  HEM 201           HAM      HEM 201   2.488  -2.765   2.896
  633    HHD  HEM 201           HBM      HEM 201   2.829  -9.232   3.052
  634   1HMA  HEM 201          HM81      HEM 201  11.134  -3.672   4.258
  635   2HMA  HEM 201          HM82      HEM 201  10.703  -3.121   5.889
  636   3HMA  HEM 201          HM83      HEM 201  11.735  -4.541   5.667
  637   1HAA  HEM 201          HP71      HEM 201   9.603  -7.675   7.089
  638   2HAA  HEM 201          HP72      HEM 201  11.065  -7.672   6.002
  639   1HBA  HEM 201          HP73      HEM 201  11.940  -6.043   7.216
  640   2HBA  HEM 201          HP74      HEM 201  11.180  -7.230   8.395
  641   1HMB  HEM 201          HM11      HEM 201   8.011  -0.307   3.192
  642   2HMB  HEM 201          HM12      HEM 201   6.503   0.591   3.493
  643   3HMB  HEM 201          HM13      HEM 201   7.312  -0.210   4.814
  644    HAB  HEM 201          HT2A      HEM 201   3.405  -0.869   1.848
  645   1HBB  HEM 201          HV2C      HEM 201   4.377   1.062   3.904
  646   2HBB  HEM 201          HV2T      HEM 201   2.611   0.805   3.274
  647   1HMC  HEM 201          HM31      HEM 201   0.438  -3.510   3.010
  648   2HMC  HEM 201          HM32      HEM 201  -0.260  -4.812   2.013
  649   3HMC  HEM 201          HM33      HEM 201  -0.296  -4.911   3.790
  650    HAC  HEM 201          HT4A      HEM 201  -0.272  -7.748   2.976
  651   1HBC  HEM 201          HV4C      HEM 201   1.660  -8.254   0.667
  652   2HBC  HEM 201          HV4T      HEM 201   0.268  -9.368   1.212
  653   1HMD  HEM 201          HM51      HEM 201   5.018 -11.693   2.422
  654   2HMD  HEM 201          HM52      HEM 201   4.895 -12.178   4.131
  655   3HMD  HEM 201          HM53      HEM 201   3.582 -11.291   3.379
  656   1HAD  HEM 201          HP61      HEM 201   7.191 -12.043   4.315
  657   2HAD  HEM 201          HP62      HEM 201   8.504 -10.782   4.190
  658   1HBD  HEM 201          HP63      HEM 201   7.668 -10.321   6.736
  659   2HBD  HEM 201          HP64      HEM 201   7.280 -12.106   6.575
  Start of MODEL   20
    1   1H    ALA   3          H1        ALA   3 -10.329  17.241   0.073
    2   2H    ALA   3          H2        ALA   3 -10.985  17.085   1.554
    3   3H    ALA   3          H3        ALA   3 -11.282  18.471   0.687
    4    HA   ALA   3           HA       ALA   3  -9.502  18.562   2.505
    5   1HB   ALA   3          HB1       ALA   3  -9.730  20.346   0.789
    6   2HB   ALA   3          HB2       ALA   3  -8.025  19.992   1.122
    7   3HB   ALA   3          HB3       ALA   3  -8.783  19.368  -0.356
    8    H    VAL   4           H        VAL   4  -6.990  18.201   2.560
    9    HA   VAL   4           HA       VAL   4  -5.158  16.901   2.354
   10    HB   VAL   4           HB       VAL   4  -7.038  14.524   1.855
   11   1HG1  VAL   4          HG11      VAL   4  -5.310  13.288   3.044
   12   2HG1  VAL   4          HG12      VAL   4  -4.486  14.178   1.761
   13   3HG1  VAL   4          HG13      VAL   4  -4.425  14.776   3.428
   14   1HG2  VAL   4          HG21      VAL   4  -7.208  14.264   4.243
   15   2HG2  VAL   4          HG22      VAL   4  -6.482  15.881   4.473
   16   3HG2  VAL   4          HG23      VAL   4  -8.043  15.688   3.626
   17    H    LYS   5           H        LYS   5  -5.926  14.416   0.264
   18    HA   LYS   5           HA       LYS   5  -6.848  16.150  -1.820
   19   1HB   LYS   5          HB2       LYS   5  -4.556  15.603  -2.588
   20   2HB   LYS   5          HB3       LYS   5  -4.895  13.867  -2.466
   21   1HG   LYS   5          HG2       LYS   5  -6.175  13.842  -4.414
   22   2HG   LYS   5          HG3       LYS   5  -6.862  15.419  -4.070
   23   1HD   LYS   5          HD2       LYS   5  -5.665  15.806  -5.990
   24   2HD   LYS   5          HD3       LYS   5  -4.688  16.516  -4.720
   25   1HE   LYS   5          HE2       LYS   5  -4.205  13.920  -6.274
   26   2HE   LYS   5          HE3       LYS   5  -3.270  15.415  -6.326
   27   1HZ   LYS   5          HZ1       LYS   5  -3.292  13.361  -4.249
   28   2HZ   LYS   5          HZ2       LYS   5  -2.041  14.033  -5.018
   29   3HZ   LYS   5          HZ3       LYS   5  -2.833  14.914  -3.871
   30    H    TYR   6           H        TYR   6  -6.383  12.857  -0.673
   31    HA   TYR   6           HA       TYR   6  -7.710  11.063  -0.468
   32   1HB   TYR   6          HB2       TYR   6 -10.137  12.947  -0.887
   33   2HB   TYR   6          HB3       TYR   6 -10.159  11.225  -0.850
   34    HD1  TYR   6           HD1      TYR   6  -9.936   9.911   0.991
   35    HD2  TYR   6           HD2      TYR   6  -9.673  14.177   1.320
   36    HE1  TYR   6           HE1      TYR   6 -10.109   9.688   3.350
   37    HE2  TYR   6           HE2      TYR   6 -10.009  13.990   3.782
   38    HH   TYR   6           HH       TYR   6  -9.435  11.220   5.401
   39    H    TYR   7           H        TYR   7  -8.667   9.559  -1.473
   40    HA   TYR   7           HA       TYR   7  -8.620   9.457  -4.407
   41   1HB   TYR   7          HB2       TYR   7  -6.937   8.513  -2.120
   42   2HB   TYR   7          HB3       TYR   7  -7.248   7.312  -3.179
   43    HD1  TYR   7           HD1      TYR   7  -4.572   7.766  -2.765
   44    HD2  TYR   7           HD2      TYR   7  -6.979  10.353  -5.252
   45    HE1  TYR   7           HE1      TYR   7  -2.645   9.213  -3.179
   46    HE2  TYR   7           HE2      TYR   7  -5.079  11.792  -5.606
   47    HH   TYR   7           HH       TYR   7  -2.229  11.423  -3.488
   48    H    THR   8           H        THR   8 -10.164   8.281  -5.148
   49    HA   THR   8           HA       THR   8 -12.187   7.244  -3.331
   50    HB   THR   8           HB       THR   8 -13.301   6.798  -5.634
   51    HG1  THR   8           HG1      THR   8 -12.177   7.968  -7.331
   52   1HG2  THR   8          HG21      THR   8 -13.752   8.830  -4.280
   53   2HG2  THR   8          HG22      THR   8 -12.330   9.624  -5.001
   54   3HG2  THR   8          HG23      THR   8 -13.725   9.202  -6.015
   55    H    LEU   9           H        LEU   9 -12.902   4.986  -3.317
   56    HA   LEU   9           HA       LEU   9 -10.979   2.967  -3.647
   57   1HB   LEU   9          HB2       LEU   9 -12.647   2.451  -2.370
   58   2HB   LEU   9          HB3       LEU   9 -13.950   2.997  -3.427
   59    HG   LEU   9           HG       LEU   9 -12.167   0.588  -4.084
   60   1HD1  LEU   9          HD11      LEU   9 -13.035   0.240  -1.807
   61   2HD1  LEU   9          HD12      LEU   9 -14.685   0.569  -2.372
   62   3HD1  LEU   9          HD13      LEU   9 -13.809  -0.866  -2.953
   63   1HD2  LEU   9          HD21      LEU   9 -15.067   1.269  -4.802
   64   2HD2  LEU   9          HD22      LEU   9 -13.699   1.272  -5.933
   65   3HD2  LEU   9          HD23      LEU   9 -14.241  -0.242  -5.225
   66    H    GLU  10           H        GLU  10 -13.366   4.212  -5.956
   67    HA   GLU  10           HA       GLU  10 -12.999   2.825  -8.244
   68   1HB   GLU  10          HB2       GLU  10 -14.324   4.920  -7.963
   69   2HB   GLU  10          HB3       GLU  10 -12.843   5.869  -7.983
   70   1HG   GLU  10          HG2       GLU  10 -13.933   5.976 -10.147
   71   2HG   GLU  10          HG3       GLU  10 -12.382   5.150 -10.309
   72    H    GLU  11           H        GLU  11 -10.769   5.449  -7.202
   73    HA   GLU  11           HA       GLU  11  -8.790   4.806  -9.248
   74   1HB   GLU  11          HB2       GLU  11  -8.884   6.525  -6.700
   75   2HB   GLU  11          HB3       GLU  11  -7.329   6.135  -7.410
   76   1HG   GLU  11          HG2       GLU  11  -9.527   7.530  -8.953
   77   2HG   GLU  11          HG3       GLU  11  -8.227   8.335  -8.050
   78    H    ILE  12           H        ILE  12  -9.048   4.160  -5.752
   79    HA   ILE  12           HA       ILE  12  -6.486   3.162  -5.488
   80    HB   ILE  12           HB       ILE  12  -8.964   2.457  -3.898
   81   1HG1  ILE  12          HG12      ILE  12  -6.675   4.237  -2.992
   82   2HG1  ILE  12          HG13      ILE  12  -7.945   4.921  -4.002
   83   1HG2  ILE  12          HG21      ILE  12  -6.057   1.852  -3.311
   84   2HG2  ILE  12          HG22      ILE  12  -7.337   1.815  -2.082
   85   3HG2  ILE  12          HG23      ILE  12  -7.425   0.709  -3.447
   86   1HD1  ILE  12          HD11      ILE  12  -8.415   5.350  -1.687
   87   2HD1  ILE  12          HD12      ILE  12  -9.638   4.234  -2.299
   88   3HD1  ILE  12          HD13      ILE  12  -8.325   3.637  -1.263
   89    H    GLN  13           H        GLU  13  -9.408   1.284  -6.411
   90    HA   GLN  13           HA       GLU  13  -8.171  -1.299  -6.243
   91   1HB   GLN  13          HB2       GLU  13  -9.995  -0.325  -8.508
   92   2HB   GLN  13          HB3       GLU  13  -9.756  -2.006  -8.065
   93   1HG   GLN  13          HG2       GLU  13 -11.204  -1.762  -6.168
   94   2HG   GLN  13          HG3       GLU  13 -11.279  -0.009  -6.363
   95    H    LYS  14           H        LYS  14  -8.332   1.143  -8.639
   96    HA   LYS  14           HA       LYS  14  -7.469  -0.273 -10.945
   97   1HB   LYS  14          HB2       LYS  14  -8.891   1.988 -10.271
   98   2HB   LYS  14          HB3       LYS  14  -7.391   2.735 -10.661
   99   1HG   LYS  14          HG2       LYS  14  -8.900   2.790 -12.511
  100   2HG   LYS  14          HG3       LYS  14  -7.677   1.574 -12.942
  101   1HD   LYS  14          HD2       LYS  14  -9.604   0.487 -13.556
  102   2HD   LYS  14          HD3       LYS  14  -9.428  -0.188 -11.949
  103   1HE   LYS  14          HE2       LYS  14 -11.219   2.209 -12.599
  104   2HE   LYS  14          HE3       LYS  14 -11.768   0.543 -12.751
  105   1HZ   LYS  14          HZ1       LYS  14 -12.402   1.662 -10.743
  106   2HZ   LYS  14          HZ2       LYS  14 -11.646   0.274 -10.347
  107   3HZ   LYS  14          HZ3       LYS  14 -10.901   1.742 -10.201
  108    H    HIS  15           H        HIS  15  -5.975   1.878  -8.574
  109    HA   HIS  15           HA       HIS  15  -3.257   1.606  -9.617
  110   1HB   HIS  15          HB2       HIS  15  -4.503   2.672  -7.078
  111   2HB   HIS  15          HB3       HIS  15  -2.764   2.345  -7.272
  112    HD1  HIS  15           HD1      HIS  15  -1.361   3.784  -8.852
  113    HD2  HIS  15           HD2      HIS  15  -5.410   4.840  -8.536
  114    HE1  HIS  15           HE1      HIS  15  -1.607   6.108  -9.964
  115    H    ASN  16           H        ASN  16  -3.821  -0.751  -9.905
  116    HA   ASN  16           HA       ASN  16  -2.050  -1.995  -7.854
  117   1HB   ASN  16          HB2       ASN  16  -3.149  -4.063  -7.800
  118   2HB   ASN  16          HB3       ASN  16  -4.462  -2.895  -7.707
  119   1HD2  ASN  16          HD21      ASN  16  -5.870  -2.652  -9.546
  120   2HD2  ASN  16          HD22      ASN  16  -5.745  -3.699 -10.963
  121    H    ASN  17           H        ASN  17  -2.326  -1.150 -11.059
  122    HA   ASN  17           HA       ASN  17   0.054  -2.449 -11.906
  123   1HB   ASN  17          HB2       ASN  17  -0.836  -4.000 -13.493
  124   2HB   ASN  17          HB3       ASN  17  -1.580  -4.422 -11.955
  125   1HD2  ASN  17          HD21      ASN  17  -2.307  -4.318 -15.145
  126   2HD2  ASN  17          HD22      ASN  17  -3.979  -3.806 -15.047
  127    H    SER  18           H        SER  18   0.644  -1.570 -13.931
  128    HA   SER  18           HA       SER  18   0.826   0.142 -15.450
  129   1HB   SER  18          HB2       SER  18  -1.994  -0.796 -16.109
  130   2HB   SER  18          HB3       SER  18  -0.823  -0.055 -17.214
  131    HG   SER  18           HG       SER  18  -0.547  -2.541 -15.855
  132    H    LYS  19           H        LYS  19   0.371   1.415 -13.177
  133    HA   LYS  19           HA       LYS  19  -1.139   3.814 -13.703
  134   1HB   LYS  19          HB2       LYS  19  -2.960   1.998 -13.231
  135   2HB   LYS  19          HB3       LYS  19  -2.300   1.919 -11.623
  136   1HG   LYS  19          HG2       LYS  19  -3.823   3.460 -11.143
  137   2HG   LYS  19          HG3       LYS  19  -2.679   4.630 -11.868
  138   1HD   LYS  19          HD2       LYS  19  -3.896   4.205 -14.077
  139   2HD   LYS  19          HD3       LYS  19  -5.133   3.373 -13.135
  140   1HE   LYS  19          HE2       LYS  19  -4.320   6.328 -12.992
  141   2HE   LYS  19          HE3       LYS  19  -5.856   5.652 -13.544
  142   1HZ   LYS  19          HZ1       LYS  19  -4.894   5.902 -10.766
  143   2HZ   LYS  19          HZ2       LYS  19  -6.285   6.438 -11.393
  144   3HZ   LYS  19          HZ3       LYS  19  -6.122   4.868 -11.165
  145    H    SER  20           H        SER  20  -0.143   1.540 -11.252
  146    HA   SER  20           HA       SER  20   2.055   1.851 -10.144
  147   1HB   SER  20          HB2       SER  20   2.167   4.320 -10.328
  148   2HB   SER  20          HB3       SER  20   0.836   4.477  -9.161
  149    HG   SER  20           HG       SER  20   2.217   3.459  -7.626
  150    H    THR  21           H        THR  21   2.088   0.725  -8.150
  151    HA   THR  21           HA       THR  21  -0.397  -0.425  -7.391
  152    HB   THR  21           HB       THR  21   2.303  -0.615  -6.000
  153    HG1  THR  21           HG1      THR  21   1.524  -1.944  -8.373
  154   1HG2  THR  21          HG21      THR  21   0.533  -1.907  -4.960
  155   2HG2  THR  21          HG22      THR  21   0.102  -2.658  -6.522
  156   3HG2  THR  21          HG23      THR  21   1.664  -3.007  -5.760
  157    H    TRP  22           H        TRP  22  -1.806   0.370  -5.854
  158    HA   TRP  22           HA       TRP  22  -0.831   2.197  -3.726
  159   1HB   TRP  22          HB2       TRP  22  -3.409   1.980  -5.240
  160   2HB   TRP  22          HB3       TRP  22  -3.435   2.664  -3.682
  161    HD1  TRP  22           HD1      TRP  22  -0.305   3.612  -5.569
  162    HE1  TRP  22           HE1      TRP  22  -0.436   5.935  -6.547
  163    HE3  TRP  22           HE3      TRP  22  -5.201   4.595  -4.587
  164    HZ2  TRP  22           HZ2      TRP  22  -2.490   7.919  -7.084
  165    HZ3  TRP  22           HZ3      TRP  22  -6.275   6.635  -5.491
  166    HH2  TRP  22           HH2      TRP  22  -4.947   8.256  -6.831
  167    H    LEU  23           H        LEU  23  -1.881   1.833  -1.565
  168    HA   LEU  23           HA       LEU  23  -3.645  -0.464  -1.275
  169   1HB   LEU  23          HB2       LEU  23  -1.736  -0.651   0.874
  170   2HB   LEU  23          HB3       LEU  23  -2.331  -1.882  -0.096
  171    HG   LEU  23           HG       LEU  23  -0.305  -0.697  -1.724
  172   1HD1  LEU  23          HD11      LEU  23   1.552  -0.692  -0.175
  173   2HD1  LEU  23          HD12      LEU  23   0.325   0.466   0.365
  174   3HD1  LEU  23          HD13      LEU  23   0.482  -1.119   1.181
  175   1HD2  LEU  23          HD21      LEU  23  -0.239  -3.138   0.093
  176   2HD2  LEU  23          HD22      LEU  23  -0.847  -3.132  -1.568
  177   3HD2  LEU  23          HD23      LEU  23   0.859  -2.790  -1.267
  178    H    ILE  24           H        ILE  24  -4.623  -0.453   0.949
  179    HA   ILE  24           HA       ILE  24  -4.432   2.222   2.263
  180    HB   ILE  24           HB       ILE  24  -6.791   0.370   2.725
  181   1HG1  ILE  24          HG12      ILE  24  -6.685   2.242   0.339
  182   2HG1  ILE  24          HG13      ILE  24  -6.660   0.469   0.276
  183   1HG2  ILE  24          HG21      ILE  24  -7.952   2.338   3.323
  184   2HG2  ILE  24          HG22      ILE  24  -6.359   2.471   4.059
  185   3HG2  ILE  24          HG23      ILE  24  -6.728   3.384   2.576
  186   1HD1  ILE  24          HD11      ILE  24  -8.843   0.338   1.383
  187   2HD1  ILE  24          HD12      ILE  24  -8.960   2.109   1.341
  188   3HD1  ILE  24          HD13      ILE  24  -8.897   1.192  -0.170
  189    H    LEU  25           H        LEU  25  -3.707   2.390   4.194
  190    HA   LEU  25           HA       LEU  25  -3.533   0.018   6.020
  191   1HB   LEU  25          HB2       LEU  25  -1.313   1.707   4.998
  192   2HB   LEU  25          HB3       LEU  25  -1.272   1.228   6.691
  193    HG   LEU  25           HG       LEU  25  -1.260  -1.113   6.057
  194   1HD1  LEU  25          HD11      LEU  25  -2.335  -1.432   4.078
  195   2HD1  LEU  25          HD12      LEU  25  -1.527  -0.063   3.246
  196   3HD1  LEU  25          HD13      LEU  25  -0.659  -1.577   3.562
  197   1HD2  LEU  25          HD21      LEU  25   0.891   0.089   6.319
  198   2HD2  LEU  25          HD22      LEU  25   1.023  -1.154   5.062
  199   3HD2  LEU  25          HD23      LEU  25   0.859   0.549   4.605
  200    H    HIS  26           H        HIS  26  -5.191   0.829   7.358
  201    HA   HIS  26           HA       HIS  26  -6.162   2.115   8.959
  202   1HB   HIS  26          HB2       HIS  26  -3.741   3.920   9.167
  203   2HB   HIS  26          HB3       HIS  26  -4.906   3.476  10.400
  204    HD1  HIS  26           HD1      HIS  26  -4.478   0.961  11.523
  205    HD2  HIS  26           HD2      HIS  26  -1.552   2.536   8.936
  206    HE1  HIS  26           HE1      HIS  26  -2.337  -0.365  11.936
  207    H    TYR  27           H        TYR  27  -6.993   2.622   6.512
  208    HA   TYR  27           HA       TYR  27  -8.287   4.019   5.338
  209   1HB   TYR  27          HB2       TYR  27  -7.935   6.006   7.611
  210   2HB   TYR  27          HB3       TYR  27  -9.056   6.150   6.274
  211    HD1  TYR  27           HD1      TYR  27  -8.494   4.572   9.516
  212    HD2  TYR  27           HD2      TYR  27 -10.835   4.421   5.906
  213    HE1  TYR  27           HE1      TYR  27 -10.122   3.059  10.626
  214    HE2  TYR  27           HE2      TYR  27 -12.401   2.838   6.971
  215    HH   TYR  27           HH       TYR  27 -12.928   1.673   8.907
  216    H    LYS  28           H        LYS  28  -5.277   5.524   6.403
  217    HA   LYS  28           HA       LYS  28  -4.957   7.378   4.265
  218   1HB   LYS  28          HB2       LYS  28  -3.101   5.760   6.012
  219   2HB   LYS  28          HB3       LYS  28  -2.422   6.750   4.702
  220   1HG   LYS  28          HG2       LYS  28  -4.292   7.865   6.811
  221   2HG   LYS  28          HG3       LYS  28  -2.539   7.722   7.042
  222   1HD   LYS  28          HD2       LYS  28  -1.968   9.291   5.475
  223   2HD   LYS  28          HD3       LYS  28  -3.416   9.031   4.514
  224   1HE   LYS  28          HE2       LYS  28  -4.761  10.079   6.413
  225   2HE   LYS  28          HE3       LYS  28  -3.236  10.563   7.164
  226   1HZ   LYS  28          HZ1       LYS  28  -3.864  11.243   4.379
  227   2HZ   LYS  28          HZ2       LYS  28  -4.560  12.072   5.554
  228   3HZ   LYS  28          HZ3       LYS  28  -2.888  12.083   5.430
  229    H    VAL  29           H        VAL  29  -3.612   7.146   2.404
  230    HA   VAL  29           HA       VAL  29  -3.689   4.442   1.148
  231    HB   VAL  29           HB       VAL  29  -4.381   7.053  -0.196
  232   1HG1  VAL  29          HG11      VAL  29  -3.681   4.341  -1.400
  233   2HG1  VAL  29          HG12      VAL  29  -4.625   5.579  -2.241
  234   3HG1  VAL  29          HG13      VAL  29  -2.968   5.927  -1.758
  235   1HG2  VAL  29          HG21      VAL  29  -5.763   4.362  -0.219
  236   2HG2  VAL  29          HG22      VAL  29  -6.180   5.607   0.985
  237   3HG2  VAL  29          HG23      VAL  29  -6.393   5.933  -0.760
  238    H    TYR  30           H        TYR  30  -1.972   3.787   0.106
  239    HA   TYR  30           HA       TYR  30   0.581   5.271   0.481
  240   1HB   TYR  30          HB2       TYR  30  -0.344   2.434   0.990
  241   2HB   TYR  30          HB3       TYR  30   1.334   2.859   1.089
  242    HD1  TYR  30           HD1      TYR  30  -2.038   3.146   2.527
  243    HD2  TYR  30           HD2      TYR  30   2.058   4.333   3.090
  244    HE1  TYR  30           HE1      TYR  30  -2.567   3.972   4.762
  245    HE2  TYR  30           HE2      TYR  30   1.497   5.071   5.417
  246    HH   TYR  30           HH       TYR  30  -1.659   4.259   6.831
  247    H    ASP  31           H        ASP  31   1.845   5.274  -1.508
  248    HA   ASP  31           HA       ASP  31   1.027   3.571  -3.769
  249   1HB   ASP  31          HB2       ASP  31   3.090   4.390  -4.807
  250   2HB   ASP  31          HB3       ASP  31   2.169   5.753  -4.208
  251    H    LEU  32           H        LEU  32   2.808   2.055  -4.491
  252    HA   LEU  32           HA       LEU  32   5.079   2.574  -3.046
  253   1HB   LEU  32          HB2       LEU  32   4.978  -0.456  -3.300
  254   2HB   LEU  32          HB3       LEU  32   5.969   0.544  -2.261
  255    HG   LEU  32           HG       LEU  32   2.999   0.243  -1.748
  256   1HD1  LEU  32          HD11      LEU  32   3.829  -2.053  -2.027
  257   2HD1  LEU  32          HD12      LEU  32   5.200  -1.695  -0.936
  258   3HD1  LEU  32          HD13      LEU  32   3.551  -1.683  -0.310
  259   1HD2  LEU  32          HD21      LEU  32   3.476   0.756   0.445
  260   2HD2  LEU  32          HD22      LEU  32   5.178   0.209   0.351
  261   3HD2  LEU  32          HD23      LEU  32   4.733   1.741  -0.368
  262    H    THR  33           H        THR  33   4.198  -0.157  -5.172
  263    HA   THR  33           HA       THR  33   5.077  -1.031  -7.000
  264    HB   THR  33           HB       THR  33   5.449   1.848  -7.864
  265    HG1  THR  33           HG1      THR  33   3.596  -0.278  -8.241
  266   1HG2  THR  33          HG21      THR  33   7.007   0.496  -9.222
  267   2HG2  THR  33          HG22      THR  33   5.753  -0.742  -9.465
  268   3HG2  THR  33          HG23      THR  33   5.557   0.880 -10.160
  269    H    LYS  34           H        LYS  34   7.380   1.686  -6.369
  270    HA   LYS  34           HA       LYS  34   9.647   0.339  -7.382
  271   1HB   LYS  34          HB2       LYS  34   9.104   2.857  -6.798
  272   2HB   LYS  34          HB3       LYS  34   9.810   2.479  -5.235
  273   1HG   LYS  34          HG2       LYS  34  11.157   2.319  -7.989
  274   2HG   LYS  34          HG3       LYS  34  11.333   3.587  -6.785
  275   1HD   LYS  34          HD2       LYS  34  13.202   2.490  -6.185
  276   2HD   LYS  34          HD3       LYS  34  12.084   1.524  -5.229
  277   1HE   LYS  34          HE2       LYS  34  11.998   0.147  -7.628
  278   2HE   LYS  34          HE3       LYS  34  13.600   0.873  -7.773
  279   1HZ   LYS  34          HZ1       LYS  34  13.704  -1.258  -6.767
  280   2HZ   LYS  34          HZ2       LYS  34  14.091  -0.185  -5.592
  281   3HZ   LYS  34          HZ3       LYS  34  12.565  -0.857  -5.648
  282    H    PHE  35           H        PHE  35   8.060   0.149  -4.276
  283    HA   PHE  35           HA       PHE  35  10.393  -0.871  -2.798
  284   1HB   PHE  35          HB2       PHE  35   8.333   0.549  -1.907
  285   2HB   PHE  35          HB3       PHE  35   7.531  -1.037  -1.902
  286    HD1  PHE  35           HD1      PHE  35  10.444   0.926  -0.625
  287    HD2  PHE  35           HD2      PHE  35   8.223  -2.745  -0.246
  288    HE1  PHE  35           HE1      PHE  35  11.771   0.329   1.376
  289    HE2  PHE  35           HE2      PHE  35   9.728  -3.414   1.604
  290    HZ   PHE  35           HZ       PHE  35  11.437  -1.876   2.450
  291    H    LEU  36           H        LEU  36   7.660  -2.089  -4.659
  292    HA   LEU  36           HA       LEU  36   7.218  -4.631  -3.549
  293   1HB   LEU  36          HB2       LEU  36   7.333  -3.827  -6.492
  294   2HB   LEU  36          HB3       LEU  36   6.585  -5.241  -5.830
  295    HG   LEU  36           HG       LEU  36   5.542  -2.484  -5.252
  296   1HD1  LEU  36          HD11      LEU  36   3.781  -3.217  -6.876
  297   2HD1  LEU  36          HD12      LEU  36   5.380  -3.233  -7.657
  298   3HD1  LEU  36          HD13      LEU  36   4.646  -4.738  -7.123
  299   1HD2  LEU  36          HD21      LEU  36   4.979  -4.095  -3.476
  300   2HD2  LEU  36          HD22      LEU  36   3.553  -3.727  -4.454
  301   3HD2  LEU  36          HD23      LEU  36   4.406  -5.260  -4.695
  302    H    GLU  37           H        GLU  37   9.667  -3.525  -5.820
  303    HA   GLU  37           HA       GLU  37  10.976  -5.915  -6.507
  304   1HB   GLU  37          HB2       GLU  37  11.172  -3.508  -7.413
  305   2HB   GLU  37          HB3       GLU  37  12.242  -3.180  -6.051
  306   1HG   GLU  37          HG2       GLU  37  13.778  -4.975  -6.870
  307   2HG   GLU  37          HG3       GLU  37  12.686  -5.245  -8.245
  308    H    GLU  38           H        GLU  38  11.396  -3.722  -3.780
  309    HA   GLU  38           HA       GLU  38  13.799  -4.921  -2.671
  310   1HB   GLU  38          HB2       GLU  38  12.978  -2.492  -2.526
  311   2HB   GLU  38          HB3       GLU  38  11.795  -3.027  -1.331
  312   1HG   GLU  38          HG2       GLU  38  14.801  -3.343  -1.068
  313   2HG   GLU  38          HG3       GLU  38  13.867  -1.996  -0.410
  314    H    HIS  39           HN       HIS  39  10.370  -4.845  -1.964
  315    HA   HIS  39           HA       HIS  39  10.109  -5.624   0.470
  316   1HB   HIS  39          HB2       HIS  39   8.291  -5.036  -1.100
  317   2HB   HIS  39          HB3       HIS  39   8.311  -6.686  -1.741
  318    HD1  HIS  39           HD1      HIS  39   6.282  -8.006  -0.628
  319    HD2  HIS  39           HD2      HIS  39   8.230  -5.210   1.874
  320    HE1  HIS  39           HE1      HIS  39   5.135  -8.101   1.613
  321    HA   PRO  40           HA       PRO  40  11.954  -9.803   0.809
  322   1HB   PRO  40          HB2       PRO  40  10.802  -9.280   3.567
  323   2HB   PRO  40          HB3       PRO  40  12.322 -10.120   3.140
  324   1HG   PRO  40          HG2       PRO  40  12.431  -7.527   3.904
  325   2HG   PRO  40          HG3       PRO  40  13.334  -8.036   2.448
  326   1HD   PRO  40          HD2       PRO  40  10.648  -6.651   2.575
  327   2HD   PRO  40          HD3       PRO  40  12.062  -6.325   1.526
  328    H    GLY  41           H        GLY  41   8.708  -8.822   2.010
  329   1HA   GLY  41          HA1       GLY  41   7.538 -11.421   2.143
  330   2HA   GLY  41          HA2       GLY  41   6.688  -9.907   1.963
  331    H    GLY  42           H        GLY  42   8.459  -9.535  -0.671
  332   1HA   GLY  42          HA1       GLY  42   8.437 -10.333  -2.829
  333   2HA   GLY  42          HA2       GLY  42   7.099 -11.437  -2.484
  334    H    GLU  43           H        GLU  43   7.249  -9.739  -4.745
  335    HA   GLU  43           HA       GLU  43   5.656  -7.358  -4.382
  336   1HB   GLU  43          HB2       GLU  43   7.316  -7.457  -6.114
  337   2HB   GLU  43          HB3       GLU  43   6.580  -8.849  -6.863
  338   1HG   GLU  43          HG2       GLU  43   4.636  -6.759  -6.717
  339   2HG   GLU  43          HG3       GLU  43   6.119  -6.290  -7.628
  340    H    GLU  44           H        GLU  44   4.962 -10.504  -6.007
  341    HA   GLU  44           HA       GLU  44   2.386 -10.200  -6.686
  342   1HB   GLU  44          HB2       GLU  44   3.573 -12.721  -5.418
  343   2HB   GLU  44          HB3       GLU  44   2.104 -12.649  -6.399
  344   1HG   GLU  44          HG2       GLU  44   3.436 -11.810  -8.325
  345   2HG   GLU  44          HG3       GLU  44   4.918 -11.954  -7.369
  346    H    VAL  45           H        VAL  45   3.368 -11.421  -3.501
  347    HA   VAL  45           HA       VAL  45   0.814 -11.678  -2.373
  348    HB   VAL  45           HB       VAL  45   1.876 -12.303  -0.476
  349   1HG1  VAL  45          HG11      VAL  45   4.497 -11.901  -1.958
  350   2HG1  VAL  45          HG12      VAL  45   4.119 -13.098  -0.714
  351   3HG1  VAL  45          HG13      VAL  45   3.369 -13.253  -2.307
  352   1HG2  VAL  45          HG21      VAL  45   2.374 -10.084   0.426
  353   2HG2  VAL  45          HG22      VAL  45   3.739 -11.163   0.668
  354   3HG2  VAL  45          HG23      VAL  45   3.807  -9.953  -0.622
  355    H    LEU  46           H        LEU  46   2.767  -8.813  -2.847
  356    HA   LEU  46           HA       LEU  46   1.161  -7.243  -0.991
  357   1HB   LEU  46          HB2       LEU  46   3.649  -7.129  -1.238
  358   2HB   LEU  46          HB3       LEU  46   3.446  -6.393  -2.824
  359    HG   LEU  46           HG       LEU  46   2.669  -4.362  -1.895
  360   1HD1  LEU  46          HD11      LEU  46   2.084  -4.147   0.563
  361   2HD1  LEU  46          HD12      LEU  46   0.936  -5.138  -0.349
  362   3HD1  LEU  46          HD13      LEU  46   2.168  -5.922   0.661
  363   1HD2  LEU  46          HD21      LEU  46   5.102  -4.902  -1.363
  364   2HD2  LEU  46          HD22      LEU  46   4.368  -3.826  -0.154
  365   3HD2  LEU  46          HD23      LEU  46   4.560  -5.529   0.204
  366    H    ARG  47           H        ARG  47   1.449  -7.906  -4.456
  367    HA   ARG  47           HA       ARG  47  -0.234  -5.716  -5.309
  368   1HB   ARG  47          HB2       ARG  47   1.194  -6.912  -6.913
  369   2HB   ARG  47          HB3       ARG  47   0.186  -8.366  -6.730
  370   1HG   ARG  47          HG2       ARG  47  -1.835  -7.061  -7.444
  371   2HG   ARG  47          HG3       ARG  47  -0.842  -5.614  -7.619
  372   1HD   ARG  47          HD2       ARG  47  -0.635  -8.178  -9.266
  373   2HD   ARG  47          HD3       ARG  47  -1.459  -6.694  -9.719
  374    HE   ARG  47           HE       ARG  47   0.486  -5.530 -10.030
  375   1HH1  ARG  47          HH22      ARG  47   1.225  -8.761  -8.778
  376   2HH1  ARG  47          HH21      ARG  47   2.931  -8.659  -9.070
  377   1HH2  ARG  47          HH11      ARG  47   2.733  -5.477 -10.674
  378   2HH2  ARG  47          HH12      ARG  47   3.782  -6.791 -10.214
  379    H    GLU  48           H        GLU  48  -0.731  -9.127  -4.472
  380    HA   GLU  48           HA       GLU  48  -3.412  -9.543  -4.864
  381   1HB   GLU  48          HB2       GLU  48  -1.760 -11.172  -4.034
  382   2HB   GLU  48          HB3       GLU  48  -1.660 -10.298  -2.510
  383   1HG   GLU  48          HG2       GLU  48  -3.012 -12.281  -2.195
  384   2HG   GLU  48          HG3       GLU  48  -4.104 -10.896  -2.101
  385    H    GLN  49           H        GLN  49  -1.956  -7.829  -2.064
  386    HA   GLN  49           HA       GLN  49  -4.583  -7.098  -0.954
  387   1HB   GLN  49          HB2       GLN  49  -1.750  -6.203  -0.294
  388   2HB   GLN  49          HB3       GLN  49  -3.199  -5.735   0.587
  389   1HG   GLN  49          HG2       GLN  49  -2.163  -8.588   0.298
  390   2HG   GLN  49          HG3       GLN  49  -1.917  -7.526   1.685
  391   1HE2  GLN  49          HE21      GLN  49  -4.872  -6.452   1.500
  392   2HE2  GLN  49          HE22      GLN  49  -5.731  -7.797   2.193
  393    H    ALA  50           H        ALA  50  -2.152  -5.652  -3.079
  394    HA   ALA  50           HA       ALA  50  -2.776  -2.924  -2.634
  395   1HB   ALA  50          HB1       ALA  50  -1.674  -2.526  -4.809
  396   2HB   ALA  50          HB2       ALA  50  -0.754  -3.742  -3.900
  397   3HB   ALA  50          HB3       ALA  50  -1.837  -4.217  -5.241
  398    H    GLY  51           H        GLY  51  -3.759  -1.434  -4.245
  399   1HA   GLY  51          HA1       GLY  51  -5.913  -0.649  -4.479
  400   2HA   GLY  51          HA2       GLY  51  -5.956  -1.765  -5.841
  401    H    GLY  52           H        GLY  52  -5.616  -1.881  -2.249
  402   1HA   GLY  52          HA1       GLY  52  -8.323  -2.162  -1.588
  403   2HA   GLY  52          HA2       GLY  52  -7.543  -3.768  -1.639
  404    H    ASP  53           H        ASP  53  -8.204  -3.252   0.595
  405    HA   ASP  53           HA       ASP  53  -6.512  -1.779   2.427
  406   1HB   ASP  53          HB2       ASP  53  -8.690  -2.494   3.238
  407   2HB   ASP  53          HB3       ASP  53  -8.308  -4.197   2.884
  408    H    ALA  54           H        ALA  54  -4.707  -2.391   3.505
  409    HA   ALA  54           HA       ALA  54  -4.146  -5.278   3.690
  410   1HB   ALA  54          HB1       ALA  54  -1.719  -3.576   3.238
  411   2HB   ALA  54          HB2       ALA  54  -2.015  -5.301   2.923
  412   3HB   ALA  54          HB3       ALA  54  -2.652  -4.055   1.824
  413    H    THR  55           H        THR  55  -5.170  -2.932   5.440
  414    HA   THR  55           HA       THR  55  -3.120  -2.126   7.150
  415    HB   THR  55           HB       THR  55  -6.040  -2.539   8.006
  416    HG1  THR  55           HG1      THR  55  -6.037  -1.327   6.136
  417   1HG2  THR  55          HG21      THR  55  -3.840  -0.599   8.838
  418   2HG2  THR  55          HG22      THR  55  -5.520  -0.560   9.427
  419   3HG2  THR  55          HG23      THR  55  -4.470  -1.932   9.832
  420    H    GLU  56           H        GLU  56  -5.481  -4.858   7.632
  421    HA   GLU  56           HA       GLU  56  -4.401  -5.668  10.127
  422   1HB   GLU  56          HB2       GLU  56  -6.078  -7.178   8.043
  423   2HB   GLU  56          HB3       GLU  56  -5.763  -7.697   9.701
  424   1HG   GLU  56          HG2       GLU  56  -6.837  -5.555  10.513
  425   2HG   GLU  56          HG3       GLU  56  -7.291  -5.193   8.837
  426    H    ASN  57           H        ASN  57  -4.011  -6.878   6.760
  427    HA   ASN  57           HA       ASN  57  -2.272  -8.957   7.392
  428   1HB   ASN  57          HB2       ASN  57  -3.427  -8.333   5.164
  429   2HB   ASN  57          HB3       ASN  57  -1.984  -7.389   4.804
  430   1HD2  ASN  57          HD21      ASN  57  -2.920  -9.809   3.327
  431   2HD2  ASN  57          HD22      ASN  57  -1.679 -11.014   3.584
  432    H    PHE  58           H        PHE  58  -1.462  -5.539   6.754
  433    HA   PHE  58           HA       PHE  58   1.371  -5.753   6.859
  434   1HB   PHE  58          HB2       PHE  58   0.175  -3.782   6.044
  435   2HB   PHE  58          HB3       PHE  58  -0.496  -3.482   7.635
  436    HD1  PHE  58           HD1      PHE  58   0.680  -2.167   9.228
  437    HD2  PHE  58           HD2      PHE  58   2.715  -3.641   5.743
  438    HE1  PHE  58           HE1      PHE  58   2.508  -0.556   9.630
  439    HE2  PHE  58           HE2      PHE  58   4.516  -1.944   6.074
  440    HZ   PHE  58           HZ       PHE  58   4.444  -0.429   8.064
  441    H    GLU  59           H        GLU  59  -0.959  -4.847   9.493
  442    HA   GLU  59           HA       GLU  59   1.038  -4.787  11.535
  443   1HB   GLU  59          HB2       GLU  59  -1.993  -5.195  11.612
  444   2HB   GLU  59          HB3       GLU  59  -1.011  -4.883  13.042
  445   1HG   GLU  59          HG2       GLU  59  -1.264  -2.978  10.658
  446   2HG   GLU  59          HG3       GLU  59  -2.116  -2.842  12.197
  447    H    ASP  60           H        ASP  60  -0.949  -7.351  10.348
  448    HA   ASP  60           HA       ASP  60  -0.650  -9.365  12.275
  449   1HB   ASP  60          HB2       ASP  60  -2.246  -9.378  10.300
  450   2HB   ASP  60          HB3       ASP  60  -0.852  -9.575   9.241
  451    H    HIS  61           H        HIS  61   1.290  -8.492   9.419
  452    HA   HIS  61           HA       HIS  61   3.493 -10.319  10.156
  453   1HB   HIS  61          HB2       HIS  61   2.993  -8.412   7.865
  454   2HB   HIS  61          HB3       HIS  61   4.495  -9.340   8.037
  455    HD1  HIS  61           HD1      HIS  61   0.737  -9.913   7.353
  456    HD2  HIS  61           HD2      HIS  61   4.418 -11.960   7.579
  457    HE1  HIS  61           HE1      HIS  61   0.319 -12.286   6.515
  458    H    GLY  62           H        GLY  62   2.693  -7.793  11.844
  459   1HA   GLY  62          HA1       GLY  62   3.889  -6.603  13.335
  460   2HA   GLY  62          HA2       GLY  62   5.374  -7.341  12.729
  461    H    HIS  63           HN       HIS  63   6.009  -6.486  10.480
  462    HA   HIS  63           HA       HIS  63   7.115  -4.824   9.458
  463   1HB   HIS  63          HB2       HIS  63   4.323  -3.691   9.536
  464   2HB   HIS  63          HB3       HIS  63   5.662  -2.903   8.693
  465    HD1  HIS  63           HD1      HIS  63   3.479  -6.002   8.425
  466    HD2  HIS  63           HD2      HIS  63   6.771  -4.153   6.583
  467    HE1  HIS  63           HE1      HIS  63   3.775  -7.138   6.167
  468    H    SER  64           H        SER  64   8.663  -4.336  10.765
  469    HA   SER  64           HA       SER  64   8.944  -2.934  12.991
  470   1HB   SER  64          HB2       SER  64  10.872  -2.875  10.630
  471   2HB   SER  64          HB3       SER  64  11.280  -3.007  12.350
  472    HG   SER  64           HG       SER  64  11.163  -5.019  10.892
  473    H    THR  65           H        THR  65  10.340  -0.967  13.269
  474    HA   THR  65           HA       THR  65   9.135   1.464  12.934
  475    HB   THR  65           HB       THR  65  11.778   2.099  13.111
  476    HG1  THR  65           HG1      THR  65  12.656   0.071  12.558
  477   1HG2  THR  65          HG21      THR  65  11.706   1.518  15.512
  478   2HG2  THR  65          HG22      THR  65  10.176   2.244  14.985
  479   3HG2  THR  65          HG23      THR  65  10.289   0.486  15.235
  480    H    ASP  66           H        ASP  66  11.700   0.075  10.908
  481    HA   ASP  66           HA       ASP  66  12.073   2.183   9.204
  482   1HB   ASP  66          HB2       ASP  66  12.409  -0.796   8.617
  483   2HB   ASP  66          HB3       ASP  66  13.302   0.543   7.883
  484    H    ALA  67           H        ALA  67   9.915  -0.613   8.771
  485    HA   ALA  67           HA       ALA  67   8.868   0.097   6.194
  486   1HB   ALA  67          HB1       ALA  67   7.155  -1.595   6.700
  487   2HB   ALA  67          HB2       ALA  67   8.787  -2.204   7.046
  488   3HB   ALA  67          HB3       ALA  67   7.729  -1.692   8.378
  489    H    ARG  68           H        ARG  68   7.838   0.559   9.572
  490    HA   ARG  68           HA       ARG  68   5.448   1.993   9.305
  491   1HB   ARG  68          HB2       ARG  68   7.487   1.536  11.294
  492   2HB   ARG  68          HB3       ARG  68   7.111   3.247  11.344
  493   1HG   ARG  68          HG2       ARG  68   5.649   2.464  12.866
  494   2HG   ARG  68          HG3       ARG  68   4.604   2.322  11.441
  495   1HD   ARG  68          HD2       ARG  68   5.339  -0.060  11.219
  496   2HD   ARG  68          HD3       ARG  68   6.356   0.096  12.651
  497    HE   ARG  68           HE       ARG  68   4.192   0.821  13.841
  498   1HH1  ARG  68          HH22      ARG  68   4.490  -2.069  11.745
  499   2HH1  ARG  68          HH21      ARG  68   2.732  -2.323  11.780
  500   1HH2  ARG  68          HH11      ARG  68   2.041   0.104  14.207
  501   2HH2  ARG  68          HH12      ARG  68   1.441  -1.277  13.355
  502    H    GLU  69           H        GLU  69   8.674   3.467   9.685
  503    HA   GLU  69           HA       GLU  69   8.174   6.064   9.051
  504   1HB   GLU  69          HB2       GLU  69  10.337   4.863   9.839
  505   2HB   GLU  69          HB3       GLU  69  10.691   4.595   8.139
  506   1HG   GLU  69          HG2       GLU  69  11.889   6.541   8.901
  507   2HG   GLU  69          HG3       GLU  69  10.627   7.086   7.788
  508    H    LEU  70           H        LEU  70   9.250   3.534   6.750
  509    HA   LEU  70           HA       LEU  70   8.999   5.037   4.441
  510   1HB   LEU  70          HB2       LEU  70   9.177   2.151   5.045
  511   2HB   LEU  70          HB3       LEU  70   8.079   2.384   3.785
  512    HG   LEU  70           HG       LEU  70  10.064   2.084   2.659
  513   1HD1  LEU  70          HD11      LEU  70  10.616   4.013   1.472
  514   2HD1  LEU  70          HD12      LEU  70   9.028   4.470   2.136
  515   3HD1  LEU  70          HD13      LEU  70  10.515   5.068   2.883
  516   1HD2  LEU  70          HD21      LEU  70  11.477   2.009   4.622
  517   2HD2  LEU  70          HD22      LEU  70  12.245   3.009   3.367
  518   3HD2  LEU  70          HD23      LEU  70  11.450   3.789   4.755
  519    H    SER  71           H        SER  71   6.381   3.365   6.167
  520    HA   SER  71           HA       SER  71   4.389   3.788   4.110
  521   1HB   SER  71          HB2       SER  71   3.937   3.500   7.114
  522   2HB   SER  71          HB3       SER  71   2.783   3.198   5.815
  523    HG   SER  71           HG       SER  71   5.203   1.761   6.192
  524    H    LYS  72           H        LYS  72   5.637   5.824   6.743
  525    HA   LYS  72           HA       LYS  72   3.624   7.872   6.418
  526   1HB   LYS  72          HB2       LYS  72   6.494   8.473   7.116
  527   2HB   LYS  72          HB3       LYS  72   5.034   9.360   7.562
  528   1HG   LYS  72          HG2       LYS  72   4.327   7.311   8.911
  529   2HG   LYS  72          HG3       LYS  72   5.933   6.650   8.612
  530   1HD   LYS  72          HD2       LYS  72   5.220   9.120  10.227
  531   2HD   LYS  72          HD3       LYS  72   6.072   7.648  10.737
  532   1HE   LYS  72          HE2       LYS  72   7.830   8.375   8.880
  533   2HE   LYS  72          HE3       LYS  72   7.094   9.974   9.047
  534   1HZ   LYS  72          HZ1       LYS  72   8.431   8.337  11.105
  535   2HZ   LYS  72          HZ2       LYS  72   9.058   9.562  10.362
  536   3HZ   LYS  72          HZ3       LYS  72   7.789   9.865  11.424
  537    H    THR  73           H        THR  73   6.894   7.392   5.058
  538    HA   THR  73           HA       THR  73   7.036   9.535   3.302
  539    HB   THR  73           HB       THR  73   8.127   6.768   2.678
  540    HG1  THR  73           HG1      THR  73   9.758   7.283   4.180
  541   1HG2  THR  73          HG21      THR  73   8.645   8.531   1.039
  542   2HG2  THR  73          HG22      THR  73   9.341   9.528   2.339
  543   3HG2  THR  73          HG23      THR  73  10.086   7.968   1.913
  544    H    PHE  74           H        PHE  74   5.442   6.362   2.812
  545    HA   PHE  74           HA       PHE  74   4.769   6.971   0.035
  546   1HB   PHE  74          HB2       PHE  74   3.774   4.758   1.829
  547   2HB   PHE  74          HB3       PHE  74   3.606   4.821   0.083
  548    HD1  PHE  74           HD1      PHE  74   6.211   5.434  -0.991
  549    HD2  PHE  74           HD2      PHE  74   5.018   2.811   2.198
  550    HE1  PHE  74           HE1      PHE  74   8.379   4.237  -1.162
  551    HE2  PHE  74           HE2      PHE  74   7.096   1.526   1.911
  552    HZ   PHE  74           HZ       PHE  74   8.885   2.371   0.469
  553    H    ILE  75           H        ILE  75   3.334   8.005   2.995
  554    HA   ILE  75           HA       ILE  75   0.605   7.822   2.251
  555    HB   ILE  75           HB       ILE  75   2.017   9.932   3.877
  556   1HG1  ILE  75          HG12      ILE  75  -0.142   7.873   4.562
  557   2HG1  ILE  75          HG13      ILE  75   1.545   7.488   4.539
  558   1HG2  ILE  75          HG21      ILE  75  -0.259  10.750   4.542
  559   2HG2  ILE  75          HG22      ILE  75   0.131  11.145   2.882
  560   3HG2  ILE  75          HG23      ILE  75  -0.961   9.786   3.223
  561   1HD1  ILE  75          HD11      ILE  75   1.942   9.367   6.232
  562   2HD1  ILE  75          HD12      ILE  75   0.185   9.509   6.380
  563   3HD1  ILE  75          HD13      ILE  75   0.981   7.993   6.828
  564    H    ILE  76           H        ILE  76  -0.184   8.202   0.364
  565    HA   ILE  76           HA       ILE  76   0.524  10.706  -1.141
  566    HB   ILE  76           HB       ILE  76  -0.453   9.383  -3.082
  567   1HG1  ILE  76          HG12      ILE  76   0.084   6.949  -1.350
  568   2HG1  ILE  76          HG13      ILE  76  -1.526   7.674  -1.411
  569   1HG2  ILE  76          HG21      ILE  76   1.637   8.146  -3.478
  570   2HG2  ILE  76          HG22      ILE  76   1.927   9.769  -2.842
  571   3HG2  ILE  76          HG23      ILE  76   2.094   8.363  -1.782
  572   1HD1  ILE  76          HD11      ILE  76  -1.193   5.716  -2.930
  573   2HD1  ILE  76          HD12      ILE  76  -1.819   7.173  -3.692
  574   3HD1  ILE  76          HD13      ILE  76  -0.105   6.718  -3.905
  575    H    GLY  77           H        GLY  77  -2.022   9.203   0.691
  576   1HA   GLY  77          HA1       GLY  77  -4.252  10.913  -0.378
  577   2HA   GLY  77          HA2       GLY  77  -4.095   9.284  -1.000
  578    H    GLU  78           H        GLU  78  -6.320   9.423   0.035
  579    HA   GLU  78           HA       GLU  78  -6.131   7.646   2.278
  580   1HB   GLU  78          HB2       GLU  78  -7.882  10.117   2.329
  581   2HB   GLU  78          HB3       GLU  78  -7.870   8.856   3.583
  582   1HG   GLU  78          HG2       GLU  78  -5.529   9.528   4.123
  583   2HG   GLU  78          HG3       GLU  78  -5.685  10.898   2.996
  584    H    LEU  79           H        LEU  79  -8.130   6.569   2.537
  585    HA   LEU  79           HA       LEU  79  -9.655   5.902   0.169
  586   1HB   LEU  79          HB2       LEU  79  -9.291   4.333   2.053
  587   2HB   LEU  79          HB3       LEU  79 -10.075   5.460   3.165
  588    HG   LEU  79           HG       LEU  79 -12.231   5.210   1.931
  589   1HD1  LEU  79          HD11      LEU  79 -10.537   3.358   0.223
  590   2HD1  LEU  79          HD12      LEU  79 -12.271   3.115   0.397
  591   3HD1  LEU  79          HD13      LEU  79 -11.669   4.633  -0.289
  592   1HD2  LEU  79          HD21      LEU  79 -11.108   2.539   2.790
  593   2HD2  LEU  79          HD22      LEU  79 -11.685   3.822   3.891
  594   3HD2  LEU  79          HD23      LEU  79 -12.811   3.092   2.757
  595    H    HIS  80           H        HIS  80 -11.085   7.253  -0.800
  596    HA   HIS  80           HA       HIS  80 -11.970   9.475   0.400
  597   1HB   HIS  80          HB2       HIS  80 -12.089   9.040  -2.024
  598   2HB   HIS  80          HB3       HIS  80 -13.505   7.994  -1.734
  599    HD1  HIS  80           HD1      HIS  80 -15.820   9.451  -1.444
  600    HD2  HIS  80           HD2      HIS  80 -12.222  11.472  -0.851
  601    HE1  HIS  80           HE1      HIS  80 -16.434  11.807  -0.670
  602    HA   PRO  81           HA       PRO  81 -14.352   7.695   3.288
  603   1HB   PRO  81          HB2       PRO  81 -15.705  10.477   3.728
  604   2HB   PRO  81          HB3       PRO  81 -15.050   9.438   4.962
  605   1HG   PRO  81          HG2       PRO  81 -13.643  11.663   3.978
  606   2HG   PRO  81          HG3       PRO  81 -12.710  10.126   4.075
  607   1HD   PRO  81          HD2       PRO  81 -14.341  11.206   1.768
  608   2HD   PRO  81          HD3       PRO  81 -12.628  10.791   1.789
  609    H    ASP  82           H        ASP  82 -16.031   8.903   0.940
  610    HA   ASP  82           HA       ASP  82 -18.723   8.569   1.927
  611   1HB   ASP  82          HB2       ASP  82 -18.145  10.008  -0.085
  612   2HB   ASP  82          HB3       ASP  82 -17.697   8.529  -0.971
  613    H    ASP  83           H        ASP  83 -16.045   6.577   1.105
  614    HA   ASP  83           HA       ASP  83 -17.296   4.120   0.430
  615   1HB   ASP  83          HB2       ASP  83 -14.973   5.234  -0.037
  616   2HB   ASP  83          HB3       ASP  83 -14.517   4.914   1.557
  617    H    ARG  84           H        ARG  84 -15.195   3.397   2.596
  618    HA   ARG  84           HA       ARG  84 -15.097   2.443   4.694
  619   1HB   ARG  84          HB2       ARG  84 -16.820   4.821   5.324
  620   2HB   ARG  84          HB3       ARG  84 -16.010   3.842   6.559
  621   1HG   ARG  84          HG2       ARG  84 -13.869   4.557   5.953
  622   2HG   ARG  84          HG3       ARG  84 -14.368   5.205   4.387
  623   1HD   ARG  84          HD2       ARG  84 -13.913   6.854   6.387
  624   2HD   ARG  84          HD3       ARG  84 -15.268   7.140   5.320
  625    HE   ARG  84           HE       ARG  84 -15.367   6.137   8.101
  626   1HH1  ARG  84          HH22      ARG  84 -17.276   7.169   5.221
  627   2HH1  ARG  84          HH21      ARG  84 -18.771   7.100   6.062
  628   1HH2  ARG  84          HH11      ARG  84 -17.391   6.066   9.162
  629   2HH2  ARG  84          HH12      ARG  84 -18.841   6.516   8.325
  630    HHA  HEM 201           HGM      HEM 201   9.345  -8.939   5.851
  631    HHB  HEM 201           HDM      HEM 201   9.108  -2.731   4.179
  632    HHC  HEM 201           HAM      HEM 201   2.818  -3.337   2.997
  633    HHD  HEM 201           HBM      HEM 201   3.296  -9.744   3.765
  634   1HMA  HEM 201          HM81      HEM 201  11.868  -3.988   4.495
  635   2HMA  HEM 201          HM82      HEM 201  10.826  -3.011   5.558
  636   3HMA  HEM 201          HM83      HEM 201  11.848  -4.252   6.252
  637   1HAA  HEM 201          HP71      HEM 201  11.356  -8.037   6.246
  638   2HAA  HEM 201          HP72      HEM 201  12.204  -6.427   6.262
  639   1HBA  HEM 201          HP73      HEM 201  10.460  -7.773   8.295
  640   2HBA  HEM 201          HP74      HEM 201  10.257  -5.967   8.059
  641   1HMB  HEM 201          HM11      HEM 201   8.262  -0.721   4.018
  642   2HMB  HEM 201          HM12      HEM 201   7.743  -0.548   2.340
  643   3HMB  HEM 201          HM13      HEM 201   6.772   0.131   3.677
  644    HAB  HEM 201          HT2A      HEM 201   3.625  -1.562   1.821
  645   1HBB  HEM 201          HV2C      HEM 201   4.622   0.661   3.489
  646   2HBB  HEM 201          HV2T      HEM 201   2.831   0.202   3.115
  647   1HMC  HEM 201          HM31      HEM 201   0.096  -5.377   4.020
  648   2HMC  HEM 201          HM32      HEM 201   0.802  -4.108   3.001
  649   3HMC  HEM 201          HM33      HEM 201   0.136  -5.570   2.247
  650    HAC  HEM 201          HT4A      HEM 201   0.899  -8.969   4.076
  651   1HBC  HEM 201          HV4C      HEM 201   0.612  -8.057   1.175
  652   2HBC  HEM 201          HV4T      HEM 201   0.087  -9.680   1.926
  653   1HMD  HEM 201          HM51      HEM 201   4.001 -11.670   4.640
  654   2HMD  HEM 201          HM52      HEM 201   5.289 -12.210   3.546
  655   3HMD  HEM 201          HM53      HEM 201   5.422 -12.475   5.297
  656   1HAD  HEM 201          HP61      HEM 201   7.709 -12.329   5.024
  657   2HAD  HEM 201          HP62      HEM 201   9.057 -11.106   5.091
  658   1HBD  HEM 201          HP63      HEM 201   8.529 -10.673   7.453
  659   2HBD  HEM 201          HP64      HEM 201   7.171 -11.906   7.356
  Start of MODEL   21
    1   1H    ALA   3          H1        ALA   3  -4.736  21.136   1.020
    2   2H    ALA   3          H2        ALA   3  -6.294  21.361   0.597
    3   3H    ALA   3          H3        ALA   3  -5.685  22.202   1.898
    4    HA   ALA   3           HA       ALA   3  -5.477  20.278   3.186
    5   1HB   ALA   3          HB1       ALA   3  -8.040  19.910   1.555
    6   2HB   ALA   3          HB2       ALA   3  -7.736  19.309   3.199
    7   3HB   ALA   3          HB3       ALA   3  -7.860  21.048   2.909
    8    H    VAL   4           H        VAL   4  -6.619  17.658   2.582
    9    HA   VAL   4           HA       VAL   4  -4.632  16.478   0.826
   10    HB   VAL   4           HB       VAL   4  -6.018  14.440   1.053
   11   1HG1  VAL   4          HG11      VAL   4  -4.321  14.956   2.759
   12   2HG1  VAL   4          HG12      VAL   4  -5.553  15.791   3.733
   13   3HG1  VAL   4          HG13      VAL   4  -5.702  14.053   3.405
   14   1HG2  VAL   4          HG21      VAL   4  -7.908  16.117   2.768
   15   2HG2  VAL   4          HG22      VAL   4  -8.274  15.458   1.159
   16   3HG2  VAL   4          HG23      VAL   4  -7.949  14.369   2.521
   17    H    LYS   5           H        LYS   5  -5.786  14.955  -0.934
   18    HA   LYS   5           HA       LYS   5  -7.453  16.651  -2.760
   19   1HB   LYS   5          HB2       LYS   5  -6.089  14.041  -3.513
   20   2HB   LYS   5          HB3       LYS   5  -6.786  15.284  -4.549
   21   1HG   LYS   5          HG2       LYS   5  -4.874  16.806  -3.833
   22   2HG   LYS   5          HG3       LYS   5  -4.199  15.421  -2.950
   23   1HD   LYS   5          HD2       LYS   5  -4.573  14.173  -5.315
   24   2HD   LYS   5          HD3       LYS   5  -4.599  15.816  -5.933
   25   1HE   LYS   5          HE2       LYS   5  -2.373  15.033  -6.201
   26   2HE   LYS   5          HE3       LYS   5  -2.315  16.172  -4.848
   27   1HZ   LYS   5          HZ1       LYS   5  -2.401  13.201  -4.629
   28   2HZ   LYS   5          HZ2       LYS   5  -1.080  14.146  -4.420
   29   3HZ   LYS   5          HZ3       LYS   5  -2.331  14.242  -3.363
   30    H    TYR   6           H        TYR   6  -6.716  13.524  -1.404
   31    HA   TYR   6           HA       TYR   6  -7.756  11.740  -0.715
   32   1HB   TYR   6          HB2       TYR   6 -10.516  13.071  -1.172
   33   2HB   TYR   6          HB3       TYR   6 -10.079  11.474  -0.626
   34    HD1  TYR   6           HD1      TYR   6 -11.170  14.511   0.637
   35    HD2  TYR   6           HD2      TYR   6  -8.628  11.138   1.266
   36    HE1  TYR   6           HE1      TYR   6 -11.653  14.611   3.056
   37    HE2  TYR   6           HE2      TYR   6  -9.267  11.060   3.602
   38    HH   TYR   6           HH       TYR   6 -11.327  13.623   5.119
   39    H    TYR   7           H        TYR   7  -8.480   9.955  -1.418
   40    HA   TYR   7           HA       TYR   7  -8.454   9.582  -4.337
   41   1HB   TYR   7          HB2       TYR   7  -6.748   9.034  -1.998
   42   2HB   TYR   7          HB3       TYR   7  -7.110   7.631  -2.741
   43    HD1  TYR   7           HD1      TYR   7  -4.479   7.791  -2.809
   44    HD2  TYR   7           HD2      TYR   7  -6.844  10.629  -5.058
   45    HE1  TYR   7           HE1      TYR   7  -2.470   9.080  -3.373
   46    HE2  TYR   7           HE2      TYR   7  -4.849  11.859  -5.618
   47    HH   TYR   7           HH       TYR   7  -1.892  11.209  -3.753
   48    H    THR   8           H        THR   8  -9.974   8.487  -5.010
   49    HA   THR   8           HA       THR   8 -12.059   7.501  -3.236
   50    HB   THR   8           HB       THR   8 -13.136   7.124  -5.600
   51    HG1  THR   8           HG1      THR   8 -10.905   7.201  -6.586
   52   1HG2  THR   8          HG21      THR   8 -13.573   9.130  -4.195
   53   2HG2  THR   8          HG22      THR   8 -12.092   9.888  -4.838
   54   3HG2  THR   8          HG23      THR   8 -13.456   9.549  -5.920
   55    H    LEU   9           H        LEU   9 -12.697   5.239  -3.050
   56    HA   LEU   9           HA       LEU   9 -10.924   3.154  -3.492
   57   1HB   LEU   9          HB2       LEU   9 -12.728   3.019  -2.102
   58   2HB   LEU   9          HB3       LEU   9 -13.950   3.271  -3.358
   59    HG   LEU   9           HG       LEU   9 -13.935   1.037  -2.444
   60   1HD1  LEU   9          HD11      LEU   9 -12.886   0.761  -5.275
   61   2HD1  LEU   9          HD12      LEU   9 -13.993  -0.285  -4.388
   62   3HD1  LEU   9          HD13      LEU   9 -14.509   1.342  -4.852
   63   1HD2  LEU   9          HD21      LEU   9 -11.704   0.828  -1.637
   64   2HD2  LEU   9          HD22      LEU   9 -12.013  -0.513  -2.755
   65   3HD2  LEU   9          HD23      LEU   9 -11.021   0.873  -3.268
   66    H    GLU  10           H        GLU  10 -13.380   4.417  -5.710
   67    HA   GLU  10           HA       GLU  10 -13.188   2.987  -8.003
   68   1HB   GLU  10          HB2       GLU  10 -14.421   5.143  -7.594
   69   2HB   GLU  10          HB3       GLU  10 -12.917   6.033  -7.806
   70   1HG   GLU  10          HG2       GLU  10 -14.247   6.106  -9.837
   71   2HG   GLU  10          HG3       GLU  10 -12.736   5.251 -10.140
   72    H    GLU  11           H        GLU  11 -10.804   5.318  -6.865
   73    HA   GLU  11           HA       GLU  11  -8.902   4.742  -9.053
   74   1HB   GLU  11          HB2       GLU  11  -8.731   6.521  -6.528
   75   2HB   GLU  11          HB3       GLU  11  -7.327   6.119  -7.446
   76   1HG   GLU  11          HG2       GLU  11  -9.689   7.489  -8.735
   77   2HG   GLU  11          HG3       GLU  11  -8.368   8.330  -7.911
   78    H    ILE  12           H        ILE  12  -9.108   4.192  -5.529
   79    HA   ILE  12           HA       ILE  12  -6.503   3.239  -5.403
   80    HB   ILE  12           HB       ILE  12  -8.783   2.534  -3.520
   81   1HG1  ILE  12          HG12      ILE  12  -6.652   4.646  -3.019
   82   2HG1  ILE  12          HG13      ILE  12  -8.069   5.092  -3.953
   83   1HG2  ILE  12          HG21      ILE  12  -5.761   2.447  -3.139
   84   2HG2  ILE  12          HG22      ILE  12  -6.950   2.239  -1.852
   85   3HG2  ILE  12          HG23      ILE  12  -6.865   1.046  -3.147
   86   1HD1  ILE  12          HD11      ILE  12  -9.542   4.482  -2.101
   87   2HD1  ILE  12          HD12      ILE  12  -8.152   3.945  -1.133
   88   3HD1  ILE  12          HD13      ILE  12  -8.290   5.638  -1.611
   89    H    GLN  13           H        GLU  13  -9.474   1.362  -6.007
   90    HA   GLN  13           HA       GLU  13  -8.058  -1.184  -5.951
   91   1HB   GLN  13          HB2       GLU  13 -10.619  -0.297  -7.404
   92   2HB   GLN  13          HB3       GLU  13 -10.002  -1.950  -7.451
   93   1HG   GLN  13          HG2       GLU  13 -10.177  -2.062  -4.956
   94   2HG   GLN  13          HG3       GLU  13 -10.893  -0.440  -4.988
   95    H    LYS  14           H        LYS  14  -8.480   1.312  -8.309
   96    HA   LYS  14           HA       LYS  14  -7.979  -0.285 -10.654
   97   1HB   LYS  14          HB2       LYS  14  -9.319   1.921 -10.157
   98   2HB   LYS  14          HB3       LYS  14  -7.806   2.742 -10.376
   99   1HG   LYS  14          HG2       LYS  14  -9.009   2.906 -12.391
  100   2HG   LYS  14          HG3       LYS  14  -7.760   1.697 -12.721
  101   1HD   LYS  14          HD2       LYS  14 -10.007   1.089 -13.642
  102   2HD   LYS  14          HD3       LYS  14  -9.350  -0.124 -12.556
  103   1HE   LYS  14          HE2       LYS  14 -11.820   0.314 -12.320
  104   2HE   LYS  14          HE3       LYS  14 -10.912   0.399 -10.813
  105   1HZ   LYS  14          HZ1       LYS  14 -11.621   2.826 -12.349
  106   2HZ   LYS  14          HZ2       LYS  14 -12.572   2.224 -11.188
  107   3HZ   LYS  14          HZ3       LYS  14 -11.104   2.712 -10.778
  108    H    HIS  15           H        HIS  15  -6.207   1.806  -8.435
  109    HA   HIS  15           HA       HIS  15  -3.635   1.692  -9.782
  110   1HB   HIS  15          HB2       HIS  15  -4.620   2.491  -7.039
  111   2HB   HIS  15          HB3       HIS  15  -2.913   2.090  -7.296
  112    HD1  HIS  15           HD1      HIS  15  -1.474   3.608  -8.800
  113    HD2  HIS  15           HD2      HIS  15  -5.484   4.767  -8.409
  114    HE1  HIS  15           HE1      HIS  15  -1.660   5.954  -9.857
  115    H    ASN  16           H        ASN  16  -2.037   0.301  -9.383
  116    HA   ASN  16           HA       ASN  16  -1.093  -1.728  -8.880
  117   1HB   ASN  16          HB2       ASN  16  -2.764  -2.385  -7.130
  118   2HB   ASN  16          HB3       ASN  16  -3.808  -2.984  -8.437
  119   1HD2  ASN  16          HD21      ASN  16  -0.248  -3.100  -7.593
  120   2HD2  ASN  16          HD22      ASN  16  -0.156  -4.840  -7.700
  121    H    ASN  17           H        ASN  17  -3.469  -0.849 -10.980
  122    HA   ASN  17           HA       ASN  17  -3.073  -3.115 -12.862
  123   1HB   ASN  17          HB2       ASN  17  -5.332  -2.110 -12.603
  124   2HB   ASN  17          HB3       ASN  17  -4.703  -0.583 -13.258
  125   1HD2  ASN  17          HD21      ASN  17  -6.486  -0.999 -14.893
  126   2HD2  ASN  17          HD22      ASN  17  -6.064  -2.001 -16.271
  127    H    SER  18           H        SER  18  -0.762  -2.296 -12.494
  128    HA   SER  18           HA       SER  18   1.202  -1.736 -13.350
  129   1HB   SER  18          HB2       SER  18   1.592  -1.139 -15.608
  130   2HB   SER  18          HB3       SER  18   0.346  -2.396 -15.577
  131    HG   SER  18           HG       SER  18  -1.193  -0.628 -15.818
  132    H    LYS  19           H        LYS  19  -1.216   0.756 -13.905
  133    HA   LYS  19           HA       LYS  19   0.183   2.880 -14.412
  134   1HB   LYS  19          HB2       LYS  19  -1.628   4.181 -13.823
  135   2HB   LYS  19          HB3       LYS  19  -2.207   2.572 -14.354
  136   1HG   LYS  19          HG2       LYS  19  -2.823   2.118 -11.975
  137   2HG   LYS  19          HG3       LYS  19  -2.356   3.800 -11.589
  138   1HD   LYS  19          HD2       LYS  19  -3.924   4.505 -13.548
  139   2HD   LYS  19          HD3       LYS  19  -4.451   2.830 -13.564
  140   1HE   LYS  19          HE2       LYS  19  -6.141   3.675 -12.341
  141   2HE   LYS  19          HE3       LYS  19  -5.056   3.311 -11.002
  142   1HZ   LYS  19          HZ1       LYS  19  -4.521   5.633 -10.868
  143   2HZ   LYS  19          HZ2       LYS  19  -5.324   5.990 -12.277
  144   3HZ   LYS  19          HZ3       LYS  19  -6.123   5.519 -10.943
  145    H    SER  20           H        SER  20  -0.650   2.211 -11.085
  146    HA   SER  20           HA       SER  20   1.968   2.174 -10.223
  147   1HB   SER  20          HB2       SER  20   0.453   4.642  -9.206
  148   2HB   SER  20          HB3       SER  20   1.826   3.911  -8.382
  149    HG   SER  20           HG       SER  20   2.068   4.629 -11.085
  150    H    THR  21           H        THR  21   1.944   1.124  -8.206
  151    HA   THR  21           HA       THR  21  -0.589  -0.246  -7.542
  152    HB   THR  21           HB       THR  21   2.346  -0.762  -6.891
  153    HG1  THR  21           HG1      THR  21   1.944  -2.561  -8.119
  154   1HG2  THR  21          HG21      THR  21  -0.125  -1.956  -5.646
  155   2HG2  THR  21          HG22      THR  21   1.352  -2.921  -5.780
  156   3HG2  THR  21          HG23      THR  21   1.347  -1.424  -4.829
  157    H    TRP  22           H        TRP  22  -1.824   0.272  -5.887
  158    HA   TRP  22           HA       TRP  22  -0.756   1.950  -3.664
  159   1HB   TRP  22          HB2       TRP  22  -3.390   1.821  -5.124
  160   2HB   TRP  22          HB3       TRP  22  -3.305   2.497  -3.547
  161    HD1  TRP  22           HD1      TRP  22  -0.193   3.353  -5.462
  162    HE1  TRP  22           HE1      TRP  22  -0.177   5.591  -6.405
  163    HE3  TRP  22           HE3      TRP  22  -5.054   4.473  -4.522
  164    HZ2  TRP  22           HZ2      TRP  22  -2.234   7.727  -6.986
  165    HZ3  TRP  22           HZ3      TRP  22  -6.075   6.545  -5.438
  166    HH2  TRP  22           HH2      TRP  22  -4.703   8.133  -6.735
  167    H    LEU  23           H        LEU  23  -1.662   1.569  -1.555
  168    HA   LEU  23           HA       LEU  23  -3.728  -0.434  -1.331
  169   1HB   LEU  23          HB2       LEU  23  -2.376  -1.312   0.880
  170   2HB   LEU  23          HB3       LEU  23  -2.491  -2.093  -0.640
  171    HG   LEU  23           HG       LEU  23  -0.268  -1.071  -1.330
  172   1HD1  LEU  23          HD11      LEU  23   0.630  -1.043   1.446
  173   2HD1  LEU  23          HD12      LEU  23   0.821   0.195   0.172
  174   3HD1  LEU  23          HD13      LEU  23  -0.624   0.170   1.196
  175   1HD2  LEU  23          HD21      LEU  23  -0.622  -3.144   0.872
  176   2HD2  LEU  23          HD22      LEU  23  -0.642  -3.437  -0.878
  177   3HD2  LEU  23          HD23      LEU  23   0.856  -2.953  -0.085
  178    H    ILE  24           H        ILE  24  -4.708  -0.438   0.837
  179    HA   ILE  24           HA       ILE  24  -4.398   2.212   2.135
  180    HB   ILE  24           HB       ILE  24  -6.804   0.441   2.615
  181   1HG1  ILE  24          HG12      ILE  24  -6.716   2.492   0.405
  182   2HG1  ILE  24          HG13      ILE  24  -6.691   0.729   0.170
  183   1HG2  ILE  24          HG21      ILE  24  -6.635   3.450   2.700
  184   2HG2  ILE  24          HG22      ILE  24  -7.891   2.392   3.375
  185   3HG2  ILE  24          HG23      ILE  24  -6.293   2.404   4.100
  186   1HD1  ILE  24          HD11      ILE  24  -8.934   1.530  -0.173
  187   2HD1  ILE  24          HD12      ILE  24  -8.851   0.467   1.242
  188   3HD1  ILE  24          HD13      ILE  24  -8.980   2.222   1.456
  189    H    LEU  25           H        LEU  25  -3.626   2.377   4.058
  190    HA   LEU  25           HA       LEU  25  -3.522   0.021   5.902
  191   1HB   LEU  25          HB2       LEU  25  -1.256   1.574   4.792
  192   2HB   LEU  25          HB3       LEU  25  -1.192   1.163   6.504
  193    HG   LEU  25           HG       LEU  25  -1.321  -1.200   5.954
  194   1HD1  LEU  25          HD11      LEU  25  -1.636  -0.225   3.132
  195   2HD1  LEU  25          HD12      LEU  25  -0.771  -1.749   3.440
  196   3HD1  LEU  25          HD13      LEU  25  -2.428  -1.571   3.994
  197   1HD2  LEU  25          HD21      LEU  25   0.803   0.320   4.368
  198   2HD2  LEU  25          HD22      LEU  25   0.885  -0.041   6.103
  199   3HD2  LEU  25          HD23      LEU  25   0.943  -1.362   4.915
  200    H    HIS  26           H        HIS  26  -5.154   0.903   7.136
  201    HA   HIS  26           HA       HIS  26  -5.990   2.026   8.876
  202   1HB   HIS  26          HB2       HIS  26  -3.580   3.865   9.071
  203   2HB   HIS  26          HB3       HIS  26  -4.697   3.388  10.334
  204    HD1  HIS  26           HD1      HIS  26  -4.275   0.836  11.363
  205    HD2  HIS  26           HD2      HIS  26  -1.405   2.408   8.712
  206    HE1  HIS  26           HE1      HIS  26  -2.182  -0.601  11.603
  207    H    TYR  27           H        TYR  27  -7.095   2.571   6.678
  208    HA   TYR  27           HA       TYR  27  -8.251   4.061   5.402
  209   1HB   TYR  27          HB2       TYR  27  -8.336   5.701   7.954
  210   2HB   TYR  27          HB3       TYR  27  -9.469   5.781   6.610
  211    HD1  TYR  27           HD1      TYR  27  -9.400   4.860   9.842
  212    HD2  TYR  27           HD2      TYR  27 -10.366   3.144   6.000
  213    HE1  TYR  27           HE1      TYR  27 -11.201   3.528  10.875
  214    HE2  TYR  27           HE2      TYR  27 -12.117   1.788   7.041
  215    HH   TYR  27           HH       TYR  27 -13.366   1.450   9.010
  216    H    LYS  28           H        LYS  28  -5.520   4.274   5.111
  217    HA   LYS  28           HA       LYS  28  -5.306   7.027   4.079
  218   1HB   LYS  28          HB2       LYS  28  -4.287   6.703   6.489
  219   2HB   LYS  28          HB3       LYS  28  -3.055   5.770   5.700
  220   1HG   LYS  28          HG2       LYS  28  -2.175   7.932   5.951
  221   2HG   LYS  28          HG3       LYS  28  -2.564   7.797   4.235
  222   1HD   LYS  28          HD2       LYS  28  -3.215   9.979   5.128
  223   2HD   LYS  28          HD3       LYS  28  -4.622   9.096   4.577
  224   1HE   LYS  28          HE2       LYS  28  -3.923   8.803   7.497
  225   2HE   LYS  28          HE3       LYS  28  -4.433  10.410   6.968
  226   1HZ   LYS  28          HZ1       LYS  28  -6.266   9.016   7.738
  227   2HZ   LYS  28          HZ2       LYS  28  -6.468   9.625   6.243
  228   3HZ   LYS  28          HZ3       LYS  28  -6.112   8.042   6.420
  229    H    VAL  29           H        VAL  29  -3.644   7.032   2.242
  230    HA   VAL  29           HA       VAL  29  -3.526   4.306   1.042
  231    HB   VAL  29           HB       VAL  29  -4.017   6.964  -0.303
  232   1HG1  VAL  29          HG11      VAL  29  -3.631   4.179  -1.481
  233   2HG1  VAL  29          HG12      VAL  29  -4.313   5.563  -2.349
  234   3HG1  VAL  29          HG13      VAL  29  -2.639   5.616  -1.796
  235   1HG2  VAL  29          HG21      VAL  29  -5.675   4.425  -0.311
  236   2HG2  VAL  29          HG22      VAL  29  -5.963   5.713   0.875
  237   3HG2  VAL  29          HG23      VAL  29  -6.139   6.048  -0.866
  238    H    TYR  30           H        TYR  30  -1.802   3.617   0.047
  239    HA   TYR  30           HA       TYR  30   0.798   4.993   0.535
  240   1HB   TYR  30          HB2       TYR  30  -0.368   2.255   0.983
  241   2HB   TYR  30          HB3       TYR  30   1.335   2.432   1.072
  242    HD1  TYR  30           HD1      TYR  30  -1.954   3.110   2.511
  243    HD2  TYR  30           HD2      TYR  30   2.239   3.830   3.105
  244    HE1  TYR  30           HE1      TYR  30  -2.405   3.987   4.738
  245    HE2  TYR  30           HE2      TYR  30   1.726   4.699   5.414
  246    HH   TYR  30           HH       TYR  30  -1.502   4.236   6.793
  247    H    ASP  31           H        ASP  31   1.919   5.199  -1.450
  248    HA   ASP  31           HA       ASP  31   1.255   3.295  -3.648
  249   1HB   ASP  31          HB2       ASP  31   1.696   5.855  -4.014
  250   2HB   ASP  31          HB3       ASP  31   3.407   5.371  -3.844
  251    H    LEU  32           H        LEU  32   2.610   1.636  -4.140
  252    HA   LEU  32           HA       LEU  32   5.231   1.520  -2.705
  253   1HB   LEU  32          HB2       LEU  32   3.382  -0.814  -3.375
  254   2HB   LEU  32          HB3       LEU  32   4.910  -0.892  -2.531
  255    HG   LEU  32           HG       LEU  32   2.301   0.260  -1.612
  256   1HD1  LEU  32          HD11      LEU  32   2.623  -2.199  -1.403
  257   2HD1  LEU  32          HD12      LEU  32   4.090  -1.891  -0.420
  258   3HD1  LEU  32          HD13      LEU  32   2.514  -1.422   0.197
  259   1HD2  LEU  32          HD21      LEU  32   3.994   1.758  -0.634
  260   2HD2  LEU  32          HD22      LEU  32   3.217   0.743   0.574
  261   3HD2  LEU  32          HD23      LEU  32   4.861   0.339  -0.001
  262    H    THR  33           H        THR  33   4.175   2.019  -5.673
  263    HA   THR  33           HA       THR  33   4.866  -0.159  -7.276
  264    HB   THR  33           HB       THR  33   5.384   2.751  -8.060
  265    HG1  THR  33           HG1      THR  33   3.368   2.694  -7.217
  266   1HG2  THR  33          HG21      THR  33   4.470   0.311  -9.664
  267   2HG2  THR  33          HG22      THR  33   4.618   1.967 -10.283
  268   3HG2  THR  33          HG23      THR  33   6.067   1.082  -9.779
  269    H    LYS  34           H        LYS  34   7.304   2.248  -6.124
  270    HA   LYS  34           HA       LYS  34   9.453   0.800  -7.465
  271   1HB   LYS  34          HB2       LYS  34  10.965   2.126  -6.210
  272   2HB   LYS  34          HB3       LYS  34   9.669   3.167  -6.813
  273   1HG   LYS  34          HG2       LYS  34   8.622   3.130  -4.530
  274   2HG   LYS  34          HG3       LYS  34   9.937   2.099  -3.967
  275   1HD   LYS  34          HD2       LYS  34  11.234   4.324  -5.178
  276   2HD   LYS  34          HD3       LYS  34   9.859   5.000  -4.303
  277   1HE   LYS  34          HE2       LYS  34  11.704   4.946  -2.738
  278   2HE   LYS  34          HE3       LYS  34  10.588   3.655  -2.267
  279   1HZ   LYS  34          HZ1       LYS  34  13.186   3.353  -3.642
  280   2HZ   LYS  34          HZ2       LYS  34  12.673   2.583  -2.266
  281   3HZ   LYS  34          HZ3       LYS  34  12.055   2.163  -3.644
  282    H    PHE  35           H        PHE  35   7.761   0.506  -4.399
  283    HA   PHE  35           HA       PHE  35   9.933  -0.824  -3.030
  284   1HB   PHE  35          HB2       PHE  35   8.050   0.712  -2.002
  285   2HB   PHE  35          HB3       PHE  35   7.018  -0.732  -2.109
  286    HD1  PHE  35           HD1      PHE  35   6.983  -2.172  -0.253
  287    HD2  PHE  35           HD2      PHE  35  10.469   0.284  -0.930
  288    HE1  PHE  35           HE1      PHE  35   8.070  -3.163   1.690
  289    HE2  PHE  35           HE2      PHE  35  11.572  -0.737   1.029
  290    HZ   PHE  35           HZ       PHE  35  10.409  -2.517   2.323
  291    H    LEU  36           H        LEU  36   7.148  -1.746  -4.854
  292    HA   LEU  36           HA       LEU  36   6.874  -4.475  -4.590
  293   1HB   LEU  36          HB2       LEU  36   7.490  -2.921  -7.147
  294   2HB   LEU  36          HB3       LEU  36   6.714  -4.475  -7.086
  295    HG   LEU  36           HG       LEU  36   5.582  -1.867  -6.316
  296   1HD1  LEU  36          HD11      LEU  36   3.859  -2.542  -7.866
  297   2HD1  LEU  36          HD12      LEU  36   5.422  -2.890  -8.627
  298   3HD1  LEU  36          HD13      LEU  36   4.487  -4.207  -7.892
  299   1HD2  LEU  36          HD21      LEU  36   4.979  -3.102  -4.371
  300   2HD2  LEU  36          HD22      LEU  36   3.572  -3.039  -5.423
  301   3HD2  LEU  36          HD23      LEU  36   4.530  -4.532  -5.339
  302    H    GLU  37           H        GLU  37   9.753  -2.828  -6.005
  303    HA   GLU  37           HA       GLU  37  11.212  -5.262  -6.526
  304   1HB   GLU  37          HB2       GLU  37  12.126  -2.362  -6.157
  305   2HB   GLU  37          HB3       GLU  37  13.128  -3.681  -6.721
  306   1HG   GLU  37          HG2       GLU  37  11.597  -4.001  -8.674
  307   2HG   GLU  37          HG3       GLU  37  10.609  -2.641  -8.108
  308    H    GLU  38           H        GLU  38  11.527  -2.747  -4.007
  309    HA   GLU  38           HA       GLU  38  13.706  -3.911  -2.646
  310   1HB   GLU  38          HB2       GLU  38  11.564  -1.953  -1.790
  311   2HB   GLU  38          HB3       GLU  38  13.026  -2.244  -0.843
  312   1HG   GLU  38          HG2       GLU  38  14.413  -1.159  -2.353
  313   2HG   GLU  38          HG3       GLU  38  13.396  -1.512  -3.749
  314    H    HIS  39           HN       HIS  39  10.244  -4.382  -2.187
  315    HA   HIS  39           HA       HIS  39  10.115  -4.978   0.463
  316   1HB   HIS  39          HB2       HIS  39   8.185  -4.598  -1.015
  317   2HB   HIS  39          HB3       HIS  39   8.440  -6.176  -1.779
  318    HD1  HIS  39           HD1      HIS  39   6.330  -7.594  -0.843
  319    HD2  HIS  39           HD2      HIS  39   8.412  -5.270   2.017
  320    HE1  HIS  39           HE1      HIS  39   5.100  -7.819   1.331
  321    HA   PRO  40           HA       PRO  40  12.296  -9.000   0.659
  322   1HB   PRO  40          HB2       PRO  40  11.019  -8.862   3.402
  323   2HB   PRO  40          HB3       PRO  40  12.646  -9.458   2.957
  324   1HG   PRO  40          HG2       PRO  40  12.425  -6.962   3.955
  325   2HG   PRO  40          HG3       PRO  40  13.387  -7.199   2.469
  326   1HD   PRO  40          HD2       PRO  40  10.497  -6.306   2.671
  327   2HD   PRO  40          HD3       PRO  40  11.847  -5.542   1.772
  328    H    GLY  41           H        GLY  41   8.920  -8.421   1.748
  329   1HA   GLY  41          HA1       GLY  41   7.856 -11.054   1.538
  330   2HA   GLY  41          HA2       GLY  41   6.994  -9.571   1.299
  331    H    GLY  42           H        GLY  42   8.843  -8.701  -0.983
  332   1HA   GLY  42          HA1       GLY  42   8.944  -8.909  -3.272
  333   2HA   GLY  42          HA2       GLY  42   8.180 -10.509  -3.179
  334    H    GLU  43           H        GLU  43   7.485  -8.843  -5.172
  335    HA   GLU  43           HA       GLU  43   5.336  -7.064  -4.573
  336   1HB   GLU  43          HB2       GLU  43   6.587  -6.652  -6.478
  337   2HB   GLU  43          HB3       GLU  43   6.366  -8.218  -7.187
  338   1HG   GLU  43          HG2       GLU  43   3.953  -7.883  -7.490
  339   2HG   GLU  43          HG3       GLU  43   4.103  -6.246  -6.845
  340    H    GLU  44           H        GLU  44   5.284 -10.455  -5.871
  341    HA   GLU  44           HA       GLU  44   2.665 -10.717  -6.450
  342   1HB   GLU  44          HB2       GLU  44   4.332 -12.812  -4.983
  343   2HB   GLU  44          HB3       GLU  44   2.855 -13.111  -5.908
  344   1HG   GLU  44          HG2       GLU  44   3.982 -12.195  -7.952
  345   2HG   GLU  44          HG3       GLU  44   5.494 -12.053  -7.035
  346    H    VAL  45           H        VAL  45   3.881 -11.426  -3.179
  347    HA   VAL  45           HA       VAL  45   1.377 -11.909  -1.963
  348    HB   VAL  45           HB       VAL  45   2.513 -12.094   0.021
  349   1HG1  VAL  45          HG11      VAL  45   4.798 -12.818  -0.251
  350   2HG1  VAL  45          HG12      VAL  45   3.930 -13.282  -1.728
  351   3HG1  VAL  45          HG13      VAL  45   4.992 -11.839  -1.706
  352   1HG2  VAL  45          HG21      VAL  45   4.411 -10.727   0.821
  353   2HG2  VAL  45          HG22      VAL  45   4.343  -9.751  -0.652
  354   3HG2  VAL  45          HG23      VAL  45   2.991  -9.736   0.508
  355    H    LEU  46           H        LEU  46   3.107  -8.921  -2.592
  356    HA   LEU  46           HA       LEU  46   1.483  -7.215  -0.938
  357   1HB   LEU  46          HB2       LEU  46   3.933  -7.028  -1.865
  358   2HB   LEU  46          HB3       LEU  46   3.171  -6.393  -3.325
  359    HG   LEU  46           HG       LEU  46   2.396  -4.459  -2.162
  360   1HD1  LEU  46          HD11      LEU  46   1.788  -5.271   0.048
  361   2HD1  LEU  46          HD12      LEU  46   3.437  -5.866   0.347
  362   3HD1  LEU  46          HD13      LEU  46   3.113  -4.124   0.281
  363   1HD2  LEU  46          HD21      LEU  46   4.599  -3.510  -1.805
  364   2HD2  LEU  46          HD22      LEU  46   5.235  -5.043  -1.194
  365   3HD2  LEU  46          HD23      LEU  46   4.865  -4.857  -2.908
  366    H    ARG  47           H        ARG  47   1.524  -8.395  -4.250
  367    HA   ARG  47           HA       ARG  47  -0.253  -6.519  -5.410
  368   1HB   ARG  47          HB2       ARG  47   1.484  -8.379  -6.406
  369   2HB   ARG  47          HB3       ARG  47  -0.036  -9.268  -6.621
  370   1HG   ARG  47          HG2       ARG  47  -0.952  -7.179  -7.755
  371   2HG   ARG  47          HG3       ARG  47   0.675  -6.480  -7.502
  372   1HD   ARG  47          HD2       ARG  47   1.232  -8.874  -8.798
  373   2HD   ARG  47          HD3       ARG  47  -0.224  -8.327  -9.628
  374    HE   ARG  47           HE       ARG  47   2.475  -7.145  -9.635
  375   1HH1  ARG  47          HH22      ARG  47  -0.918  -6.154  -9.932
  376   2HH1  ARG  47          HH21      ARG  47  -0.543  -4.648 -10.695
  377   1HH2  ARG  47          HH11      ARG  47   2.984  -5.314 -10.438
  378   2HH2  ARG  47          HH12      ARG  47   1.836  -4.128 -11.086
  379    H    GLU  48           H        GLU  48  -0.603  -9.798  -4.186
  380    HA   GLU  48           HA       GLU  48  -3.282 -10.411  -4.473
  381   1HB   GLU  48          HB2       GLU  48  -1.418 -11.776  -3.492
  382   2HB   GLU  48          HB3       GLU  48  -1.465 -10.711  -2.080
  383   1HG   GLU  48          HG2       GLU  48  -2.559 -12.848  -1.598
  384   2HG   GLU  48          HG3       GLU  48  -3.777 -11.574  -1.567
  385    H    GLN  49           H        GLN  49  -1.884  -7.939  -2.351
  386    HA   GLN  49           HA       GLN  49  -4.556  -7.415  -1.069
  387   1HB   GLN  49          HB2       GLN  49  -1.720  -6.730  -0.215
  388   2HB   GLN  49          HB3       GLN  49  -3.200  -6.364   0.660
  389   1HG   GLN  49          HG2       GLN  49  -2.150  -9.185   0.030
  390   2HG   GLN  49          HG3       GLN  49  -1.982  -8.320   1.554
  391   1HE2  GLN  49          HE21      GLN  49  -4.658  -9.496  -0.677
  392   2HE2  GLN  49          HE22      GLN  49  -5.684  -9.896   0.680
  393    H    ALA  50           H        ALA  50  -2.052  -6.079  -3.035
  394    HA   ALA  50           HA       ALA  50  -2.528  -3.341  -2.805
  395   1HB   ALA  50          HB1       ALA  50  -0.680  -4.257  -4.129
  396   2HB   ALA  50          HB2       ALA  50  -1.856  -4.937  -5.298
  397   3HB   ALA  50          HB3       ALA  50  -1.713  -3.188  -5.115
  398    H    GLY  51           H        GLY  51  -3.494  -1.870  -4.410
  399   1HA   GLY  51          HA1       GLY  51  -5.595  -0.892  -4.432
  400   2HA   GLY  51          HA2       GLY  51  -5.784  -1.874  -5.864
  401    H    GLY  52           H        GLY  52  -5.529  -2.127  -2.310
  402   1HA   GLY  52          HA1       GLY  52  -8.277  -2.351  -1.775
  403   2HA   GLY  52          HA2       GLY  52  -7.462  -3.940  -1.633
  404    H    ASP  53           H        ASP  53  -8.270  -3.162   0.563
  405    HA   ASP  53           HA       ASP  53  -6.360  -1.546   2.117
  406   1HB   ASP  53          HB2       ASP  53  -8.852  -1.462   2.596
  407   2HB   ASP  53          HB3       ASP  53  -8.725  -3.126   3.194
  408    H    ALA  54           H        ALA  54  -4.657  -2.337   3.143
  409    HA   ALA  54           HA       ALA  54  -4.508  -5.285   3.720
  410   1HB   ALA  54          HB1       ALA  54  -2.140  -3.578   2.901
  411   2HB   ALA  54          HB2       ALA  54  -2.249  -5.344   3.039
  412   3HB   ALA  54          HB3       ALA  54  -3.101  -4.484   1.733
  413    H    THR  55           H        THR  55  -5.411  -2.918   5.371
  414    HA   THR  55           HA       THR  55  -3.320  -2.050   7.034
  415    HB   THR  55           HB       THR  55  -6.273  -2.317   7.838
  416    HG1  THR  55           HG1      THR  55  -6.244  -1.171   5.992
  417   1HG2  THR  55          HG21      THR  55  -5.670  -0.329   9.209
  418   2HG2  THR  55          HG22      THR  55  -4.704  -1.738   9.685
  419   3HG2  THR  55          HG23      THR  55  -3.984  -0.487   8.644
  420    H    GLU  56           H        GLU  56  -5.785  -4.595   7.733
  421    HA   GLU  56           HA       GLU  56  -4.792  -5.567  10.121
  422   1HB   GLU  56          HB2       GLU  56  -6.973  -6.120   9.060
  423   2HB   GLU  56          HB3       GLU  56  -6.149  -7.074   7.820
  424   1HG   GLU  56          HG2       GLU  56  -5.327  -8.625   9.566
  425   2HG   GLU  56          HG3       GLU  56  -6.085  -7.624  10.819
  426    H    ASN  57           H        ASN  57  -4.172  -6.878   6.829
  427    HA   ASN  57           HA       ASN  57  -2.292  -8.758   7.468
  428   1HB   ASN  57          HB2       ASN  57  -3.421  -8.237   5.253
  429   2HB   ASN  57          HB3       ASN  57  -2.132  -7.066   4.941
  430   1HD2  ASN  57          HD21      ASN  57  -2.846  -9.612   3.522
  431   2HD2  ASN  57          HD22      ASN  57  -1.395 -10.609   3.621
  432    H    PHE  58           H        PHE  58  -1.532  -5.317   6.674
  433    HA   PHE  58           HA       PHE  58   1.280  -5.540   6.915
  434   1HB   PHE  58          HB2       PHE  58   0.128  -3.596   5.938
  435   2HB   PHE  58          HB3       PHE  58  -0.539  -3.175   7.509
  436    HD1  PHE  58           HD1      PHE  58   2.794  -3.859   5.880
  437    HD2  PHE  58           HD2      PHE  58   0.629  -1.571   8.827
  438    HE1  PHE  58           HE1      PHE  58   4.814  -2.483   6.297
  439    HE2  PHE  58           HE2      PHE  58   2.651  -0.204   9.241
  440    HZ   PHE  58           HZ       PHE  58   4.762  -0.676   7.992
  441    H    GLU  59           H        GLU  59  -1.173  -4.647   9.357
  442    HA   GLU  59           HA       GLU  59   0.631  -4.074  11.484
  443   1HB   GLU  59          HB2       GLU  59  -1.735  -3.314  11.249
  444   2HB   GLU  59          HB3       GLU  59  -2.318  -4.943  11.526
  445   1HG   GLU  59          HG2       GLU  59  -2.502  -3.567  13.552
  446   2HG   GLU  59          HG3       GLU  59  -1.389  -4.918  13.812
  447    H    ASP  60           H        ASP  60  -1.529  -6.757  11.009
  448    HA   ASP  60           HA       ASP  60  -0.986  -8.785  12.676
  449   1HB   ASP  60          HB2       ASP  60  -2.615  -8.884  10.788
  450   2HB   ASP  60          HB3       ASP  60  -1.284  -8.883   9.655
  451    H    HIS  61           H        HIS  61   0.870  -8.364   9.617
  452    HA   HIS  61           HA       HIS  61   2.806 -10.373  10.210
  453   1HB   HIS  61          HB2       HIS  61   2.677  -8.076   8.264
  454   2HB   HIS  61          HB3       HIS  61   4.091  -9.132   8.361
  455    HD1  HIS  61           HD1      HIS  61   0.568 -10.722   8.704
  456    HD2  HIS  61           HD2      HIS  61   3.804 -10.241   6.043
  457    HE1  HIS  61           HE1      HIS  61   0.186 -12.329   6.789
  458    H    GLY  62           H        GLY  62   2.583  -7.404  11.835
  459   1HA   GLY  62          HA1       GLY  62   3.932  -6.520  13.429
  460   2HA   GLY  62          HA2       GLY  62   4.879  -8.015  13.353
  461    H    HIS  63           HN       HIS  63   4.350  -5.681  10.733
  462    HA   HIS  63           HA       HIS  63   7.003  -5.617   9.863
  463   1HB   HIS  63          HB2       HIS  63   4.617  -3.779   9.504
  464   2HB   HIS  63          HB3       HIS  63   6.178  -3.374   8.801
  465    HD1  HIS  63           HD1      HIS  63   3.373  -5.933   8.338
  466    HD2  HIS  63           HD2      HIS  63   7.066  -4.693   6.778
  467    HE1  HIS  63           HE1      HIS  63   3.590  -7.033   6.044
  468    H    SER  64           H        SER  64   8.812  -4.481  10.324
  469    HA   SER  64           HA       SER  64   9.106  -3.449  12.899
  470   1HB   SER  64          HB2       SER  64  10.927  -3.072  10.476
  471   2HB   SER  64          HB3       SER  64  11.403  -2.882  12.175
  472    HG   SER  64           HG       SER  64  10.574  -5.208  10.796
  473    H    THR  65           H        THR  65  10.088  -1.335  13.511
  474    HA   THR  65           HA       THR  65   8.538   0.960  13.192
  475    HB   THR  65           HB       THR  65  11.042   1.885  13.788
  476    HG1  THR  65           HG1      THR  65  12.186  -0.046  13.250
  477   1HG2  THR  65          HG21      THR  65   9.469  -0.010  15.592
  478   2HG2  THR  65          HG22      THR  65  10.698   1.156  16.123
  479   3HG2  THR  65          HG23      THR  65   9.181   1.736  15.407
  480    H    ASP  66           H        ASP  66  11.435  -0.085  11.454
  481    HA   ASP  66           HA       ASP  66  11.884   2.143   9.898
  482   1HB   ASP  66          HB2       ASP  66  12.518  -0.780   9.261
  483   2HB   ASP  66          HB3       ASP  66  13.414   0.650   8.737
  484    H    ALA  67           H        ALA  67  10.023  -0.802   9.190
  485    HA   ALA  67           HA       ALA  67   9.249  -0.189   6.527
  486   1HB   ALA  67          HB1       ALA  67   9.177  -2.479   7.383
  487   2HB   ALA  67          HB2       ALA  67   8.011  -2.014   8.629
  488   3HB   ALA  67          HB3       ALA  67   7.537  -1.971   6.926
  489    H    ARG  68           H        ARG  68   7.818   0.237   9.753
  490    HA   ARG  68           HA       ARG  68   5.410   1.532   9.130
  491   1HB   ARG  68          HB2       ARG  68   7.116   1.098  11.443
  492   2HB   ARG  68          HB3       ARG  68   6.550   2.746  11.497
  493   1HG   ARG  68          HG2       ARG  68   4.896   1.623  12.651
  494   2HG   ARG  68          HG3       ARG  68   4.180   1.640  11.035
  495   1HD   ARG  68          HD2       ARG  68   5.247  -0.696  10.713
  496   2HD   ARG  68          HD3       ARG  68   5.739  -0.606  12.400
  497    HE   ARG  68           HE       ARG  68   2.858  -0.217  11.756
  498   1HH1  ARG  68          HH22      ARG  68   5.209  -2.617  12.921
  499   2HH1  ARG  68          HH21      ARG  68   4.098  -3.288  14.080
  500   1HH2  ARG  68          HH11      ARG  68   1.298  -1.407  13.074
  501   2HH2  ARG  68          HH12      ARG  68   1.840  -2.596  14.097
  502    H    GLU  69           H        GLU  69   8.497   3.224   9.977
  503    HA   GLU  69           HA       GLU  69   7.936   5.773   9.170
  504   1HB   GLU  69          HB2       GLU  69  10.138   4.521  10.096
  505   2HB   GLU  69          HB3       GLU  69  10.608   4.602   8.400
  506   1HG   GLU  69          HG2       GLU  69  11.472   6.524   9.628
  507   2HG   GLU  69          HG3       GLU  69  10.241   7.089   8.487
  508    H    LEU  70           H        LEU  70   9.202   3.156   7.041
  509    HA   LEU  70           HA       LEU  70   9.095   4.579   4.670
  510   1HB   LEU  70          HB2       LEU  70   9.175   1.714   5.420
  511   2HB   LEU  70          HB3       LEU  70   8.292   1.927   3.984
  512    HG   LEU  70           HG       LEU  70  10.437   1.550   3.222
  513   1HD1  LEU  70          HD11      LEU  70   9.400   3.879   2.456
  514   2HD1  LEU  70          HD12      LEU  70  10.801   4.547   3.295
  515   3HD1  LEU  70          HD13      LEU  70  11.046   3.404   1.966
  516   1HD2  LEU  70          HD21      LEU  70  11.557   1.657   5.371
  517   2HD2  LEU  70          HD22      LEU  70  12.474   2.590   4.166
  518   3HD2  LEU  70          HD23      LEU  70  11.473   3.438   5.368
  519    H    SER  71           H        SER  71   6.342   2.870   6.233
  520    HA   SER  71           HA       SER  71   4.508   3.281   4.093
  521   1HB   SER  71          HB2       SER  71   3.816   3.287   7.064
  522   2HB   SER  71          HB3       SER  71   2.821   2.748   5.702
  523    HG   SER  71           HG       SER  71   3.681   0.944   6.652
  524    H    LYS  72           H        LYS  72   5.620   5.405   6.719
  525    HA   LYS  72           HA       LYS  72   3.689   7.503   6.234
  526   1HB   LYS  72          HB2       LYS  72   6.554   8.039   7.079
  527   2HB   LYS  72          HB3       LYS  72   5.108   8.988   7.390
  528   1HG   LYS  72          HG2       LYS  72   4.245   7.169   8.849
  529   2HG   LYS  72          HG3       LYS  72   5.728   6.245   8.558
  530   1HD   LYS  72          HD2       LYS  72   7.065   8.218   9.327
  531   2HD   LYS  72          HD3       LYS  72   5.575   9.014   9.853
  532   1HE   LYS  72          HE2       LYS  72   5.192   7.311  11.563
  533   2HE   LYS  72          HE3       LYS  72   6.418   6.254  10.848
  534   1HZ   LYS  72          HZ1       LYS  72   7.862   7.113  12.174
  535   2HZ   LYS  72          HZ2       LYS  72   7.855   8.422  11.334
  536   3HZ   LYS  72          HZ3       LYS  72   6.888   8.382  12.696
  537    H    THR  73           H        THR  73   6.976   6.892   5.077
  538    HA   THR  73           HA       THR  73   7.298   9.017   3.274
  539    HB   THR  73           HB       THR  73   8.380   6.227   2.744
  540    HG1  THR  73           HG1      THR  73   9.043   8.046   4.812
  541   1HG2  THR  73          HG21      THR  73  10.412   7.408   2.144
  542   2HG2  THR  73          HG22      THR  73   9.048   7.982   1.158
  543   3HG2  THR  73          HG23      THR  73   9.653   8.976   2.505
  544    H    PHE  74           H        PHE  74   5.619   5.905   2.821
  545    HA   PHE  74           HA       PHE  74   5.138   6.384  -0.034
  546   1HB   PHE  74          HB2       PHE  74   4.034   4.303   1.857
  547   2HB   PHE  74          HB3       PHE  74   3.913   4.264   0.106
  548    HD1  PHE  74           HD1      PHE  74   6.949   5.180  -0.338
  549    HD2  PHE  74           HD2      PHE  74   4.987   2.088   1.945
  550    HE1  PHE  74           HE1      PHE  74   9.034   3.869  -0.306
  551    HE2  PHE  74           HE2      PHE  74   7.001   0.669   1.709
  552    HZ   PHE  74           HZ       PHE  74   9.109   1.680   0.886
  553    H    ILE  75           H        ILE  75   3.516   7.459   2.829
  554    HA   ILE  75           HA       ILE  75   0.866   7.324   1.880
  555    HB   ILE  75           HB       ILE  75   2.170   9.349   3.691
  556   1HG1  ILE  75          HG12      ILE  75  -0.110   7.339   4.077
  557   2HG1  ILE  75          HG13      ILE  75   1.572   6.930   4.229
  558   1HG2  ILE  75          HG21      ILE  75  -0.753   9.349   2.802
  559   2HG2  ILE  75          HG22      ILE  75  -0.109  10.255   4.183
  560   3HG2  ILE  75          HG23      ILE  75   0.423  10.664   2.564
  561   1HD1  ILE  75          HD11      ILE  75   0.747   7.362   6.456
  562   2HD1  ILE  75          HD12      ILE  75   1.794   8.732   6.024
  563   3HD1  ILE  75          HD13      ILE  75   0.033   8.907   5.969
  564    H    ILE  76           H        ILE  76  -0.243   8.180   0.322
  565    HA   ILE  76           HA       ILE  76   0.796  10.580  -1.181
  566    HB   ILE  76           HB       ILE  76  -0.239   9.342  -3.191
  567   1HG1  ILE  76          HG12      ILE  76   0.290   6.850  -1.545
  568   2HG1  ILE  76          HG13      ILE  76  -1.310   7.600  -1.499
  569   1HG2  ILE  76          HG21      ILE  76   2.165   9.692  -2.889
  570   2HG2  ILE  76          HG22      ILE  76   2.282   8.207  -1.933
  571   3HG2  ILE  76          HG23      ILE  76   1.826   8.134  -3.645
  572   1HD1  ILE  76          HD11      ILE  76  -0.199   7.049  -4.213
  573   2HD1  ILE  76          HD12      ILE  76  -0.744   5.679  -3.211
  574   3HD1  ILE  76          HD13      ILE  76  -1.865   6.981  -3.598
  575    H    GLY  77           H        GLY  77  -1.854   9.340   0.614
  576   1HA   GLY  77          HA1       GLY  77  -3.987  11.139  -0.373
  577   2HA   GLY  77          HA2       GLY  77  -3.897   9.600  -1.204
  578    H    GLU  78           H        GLU  78  -6.139   9.842   0.008
  579    HA   GLU  78           HA       GLU  78  -5.877   7.783   2.025
  580   1HB   GLU  78          HB2       GLU  78  -7.937   9.795   2.697
  581   2HB   GLU  78          HB3       GLU  78  -6.913   8.856   3.766
  582   1HG   GLU  78          HG2       GLU  78  -5.029  10.622   3.022
  583   2HG   GLU  78          HG3       GLU  78  -6.405  11.575   2.478
  584    H    LEU  79           H        LEU  79  -7.698   6.558   2.224
  585    HA   LEU  79           HA       LEU  79  -9.517   6.028   0.135
  586   1HB   LEU  79          HB2       LEU  79  -9.019   4.534   2.058
  587   2HB   LEU  79          HB3       LEU  79  -9.688   5.740   3.163
  588    HG   LEU  79           HG       LEU  79 -11.932   5.503   2.028
  589   1HD1  LEU  79          HD11      LEU  79 -11.739   4.639  -0.093
  590   2HD1  LEU  79          HD12      LEU  79 -10.318   3.655   0.297
  591   3HD1  LEU  79          HD13      LEU  79 -11.917   3.100   0.775
  592   1HD2  LEU  79          HD21      LEU  79 -12.536   3.601   3.164
  593   2HD2  LEU  79          HD22      LEU  79 -10.895   2.876   3.075
  594   3HD2  LEU  79          HD23      LEU  79 -11.231   4.306   4.097
  595    H    HIS  80           H        HIS  80 -10.981   7.376  -0.716
  596    HA   HIS  80           HA       HIS  80 -11.740   9.654   0.509
  597   1HB   HIS  80          HB2       HIS  80 -12.028   9.239  -1.889
  598   2HB   HIS  80          HB3       HIS  80 -13.414   8.173  -1.540
  599    HD1  HIS  80           HD1      HIS  80 -15.720   9.606  -1.219
  600    HD2  HIS  80           HD2      HIS  80 -12.144  11.577  -0.495
  601    HE1  HIS  80           HE1      HIS  80 -16.342  11.917  -0.303
  602    HA   PRO  81           HA       PRO  81 -13.845   7.998   3.773
  603   1HB   PRO  81          HB2       PRO  81 -15.219  10.786   3.870
  604   2HB   PRO  81          HB3       PRO  81 -14.643   9.886   5.269
  605   1HG   PRO  81          HG2       PRO  81 -13.210  11.967   4.021
  606   2HG   PRO  81          HG3       PRO  81 -12.312  10.530   4.641
  607   1HD   PRO  81          HD2       PRO  81 -13.081  11.299   1.889
  608   2HD   PRO  81          HD3       PRO  81 -11.696  10.345   2.491
  609    H    ASP  82           H        ASP  82 -15.764   9.390   1.375
  610    HA   ASP  82           HA       ASP  82 -18.368   8.898   2.431
  611   1HB   ASP  82          HB2       ASP  82 -17.898  10.265   0.383
  612   2HB   ASP  82          HB3       ASP  82 -17.393   8.781  -0.469
  613    H    ASP  83           H        ASP  83 -15.815   6.891   1.214
  614    HA   ASP  83           HA       ASP  83 -16.831   4.455   0.538
  615   1HB   ASP  83          HB2       ASP  83 -14.482   5.402   0.587
  616   2HB   ASP  83          HB3       ASP  83 -14.388   5.265   2.257
  617    H    ARG  84           H        ARG  84 -16.463   5.884   3.797
  618    HA   ARG  84           HA       ARG  84 -16.489   3.226   5.031
  619   1HB   ARG  84          HB2       ARG  84 -16.073   6.005   6.154
  620   2HB   ARG  84          HB3       ARG  84 -15.858   4.456   7.007
  621   1HG   ARG  84          HG2       ARG  84 -14.010   3.857   5.487
  622   2HG   ARG  84          HG3       ARG  84 -14.266   5.321   4.537
  623   1HD   ARG  84          HD2       ARG  84 -12.390   5.637   6.045
  624   2HD   ARG  84          HD3       ARG  84 -13.679   6.752   6.460
  625    HE   ARG  84           HE       ARG  84 -12.657   4.424   7.960
  626   1HH1  ARG  84          HH22      ARG  84 -15.157   6.904   7.870
  627   2HH1  ARG  84          HH21      ARG  84 -15.793   6.559   9.441
  628   1HH2  ARG  84          HH11      ARG  84 -13.675   3.731   9.915
  629   2HH2  ARG  84          HH12      ARG  84 -14.833   4.773  10.687
  630    HHA  HEM 201           HGM      HEM 201   9.410  -9.097   5.647
  631    HHB  HEM 201           HDM      HEM 201   9.052  -2.765   4.600
  632    HHC  HEM 201           HAM      HEM 201   2.833  -3.399   3.037
  633    HHD  HEM 201           HBM      HEM 201   3.470  -9.844   3.308
  634   1HMA  HEM 201          HM81      HEM 201  11.331  -3.490   4.579
  635   2HMA  HEM 201          HM82      HEM 201  11.067  -3.526   6.338
  636   3HMA  HEM 201          HM83      HEM 201  12.235  -4.617   5.582
  637   1HAA  HEM 201          HP71      HEM 201  11.367  -8.198   6.170
  638   2HAA  HEM 201          HP72      HEM 201  12.184  -6.595   6.451
  639   1HBA  HEM 201          HP73      HEM 201  11.583  -7.719   8.542
  640   2HBA  HEM 201          HP74      HEM 201   9.816  -7.655   8.047
  641   1HMB  HEM 201          HM11      HEM 201   6.665   0.134   3.925
  642   2HMB  HEM 201          HM12      HEM 201   7.786  -0.704   4.968
  643   3HMB  HEM 201          HM13      HEM 201   8.117  -0.631   3.240
  644    HAB  HEM 201          HT2A      HEM 201   3.915  -1.569   1.833
  645   1HBB  HEM 201          HV2C      HEM 201   4.504   0.529   3.873
  646   2HBB  HEM 201          HV2T      HEM 201   2.856   0.184   3.010
  647   1HMC  HEM 201          HM31      HEM 201   0.410  -4.875   3.800
  648   2HMC  HEM 201          HM32      HEM 201   0.902  -4.440   2.156
  649   3HMC  HEM 201          HM33      HEM 201  -0.012  -5.931   2.435
  650    HAC  HEM 201          HT4A      HEM 201   1.115  -9.209   3.670
  651   1HBC  HEM 201          HV4C      HEM 201   0.512  -7.952   0.969
  652   2HBC  HEM 201          HV4T      HEM 201   0.279  -9.723   1.504
  653   1HMD  HEM 201          HM51      HEM 201   4.147 -11.808   4.098
  654   2HMD  HEM 201          HM52      HEM 201   5.483 -12.283   3.028
  655   3HMD  HEM 201          HM53      HEM 201   5.554 -12.618   4.771
  656   1HAD  HEM 201          HP61      HEM 201   7.883 -12.439   4.602
  657   2HAD  HEM 201          HP62      HEM 201   9.167 -11.192   4.932
  658   1HBD  HEM 201          HP63      HEM 201   8.028 -10.895   7.230
  659   2HBD  HEM 201          HP64      HEM 201   7.142 -12.448   6.823
  Start of MODEL   22
    1   1H    ALA   3          H1        ALA   3  -2.708  19.921   3.746
    2   2H    ALA   3          H2        ALA   3  -3.242  20.108   2.222
    3   3H    ALA   3          H3        ALA   3  -3.532  21.309   3.347
    4    HA   ALA   3           HA       ALA   3  -4.842  19.576   4.581
    5   1HB   ALA   3          HB1       ALA   3  -6.830  19.796   3.123
    6   2HB   ALA   3          HB2       ALA   3  -5.976  21.343   3.245
    7   3HB   ALA   3          HB3       ALA   3  -5.806  20.343   1.784
    8    H    VAL   4           H        VAL   4  -6.288  17.589   3.881
    9    HA   VAL   4           HA       VAL   4  -4.688  15.525   2.582
   10    HB   VAL   4           HB       VAL   4  -6.739  14.175   2.818
   11   1HG1  VAL   4          HG11      VAL   4  -6.795  14.064   5.233
   12   2HG1  VAL   4          HG12      VAL   4  -5.135  14.322   4.671
   13   3HG1  VAL   4          HG13      VAL   4  -6.059  15.673   5.370
   14   1HG2  VAL   4          HG21      VAL   4  -8.467  15.838   2.436
   15   2HG2  VAL   4          HG22      VAL   4  -8.694  14.968   3.954
   16   3HG2  VAL   4          HG23      VAL   4  -8.083  16.631   3.985
   17    H    LYS   5           H        LYS   5  -6.008  14.262   0.746
   18    HA   LYS   5           HA       LYS   5  -6.947  16.253  -1.292
   19   1HB   LYS   5          HB2       LYS   5  -4.604  15.550  -1.817
   20   2HB   LYS   5          HB3       LYS   5  -5.082  13.869  -1.611
   21   1HG   LYS   5          HG2       LYS   5  -5.050  14.005  -3.873
   22   2HG   LYS   5          HG3       LYS   5  -6.753  14.298  -3.604
   23   1HD   LYS   5          HD2       LYS   5  -4.555  16.341  -4.198
   24   2HD   LYS   5          HD3       LYS   5  -5.803  15.748  -5.307
   25   1HE   LYS   5          HE2       LYS   5  -7.542  16.730  -3.672
   26   2HE   LYS   5          HE3       LYS   5  -6.176  17.547  -2.874
   27   1HZ   LYS   5          HZ1       LYS   5  -7.215  18.958  -4.465
   28   2HZ   LYS   5          HZ2       LYS   5  -5.681  18.623  -4.952
   29   3HZ   LYS   5          HZ3       LYS   5  -6.961  17.887  -5.685
   30    H    TYR   6           H        TYR   6  -6.784  12.939  -0.116
   31    HA   TYR   6           HA       TYR   6  -7.913  11.140  -0.348
   32   1HB   TYR   6          HB2       TYR   6 -10.395  12.971  -0.564
   33   2HB   TYR   6          HB3       TYR   6 -10.334  11.222  -0.671
   34    HD1  TYR   6           HD1      TYR   6  -9.862   9.755   0.995
   35    HD2  TYR   6           HD2      TYR   6 -10.162  13.950   1.805
   36    HE1  TYR   6           HE1      TYR   6  -9.798   9.252   3.340
   37    HE2  TYR   6           HE2      TYR   6 -10.379  13.448   4.232
   38    HH   TYR   6           HH       TYR   6 -10.154  11.835   5.867
   39    H    TYR   7           H        TYR   7  -8.587   9.650  -1.418
   40    HA   TYR   7           HA       TYR   7  -8.636   9.738  -4.347
   41   1HB   TYR   7          HB2       TYR   7  -6.912   8.638  -2.128
   42   2HB   TYR   7          HB3       TYR   7  -7.103   7.674  -3.443
   43    HD1  TYR   7           HD1      TYR   7  -6.139   8.718  -5.756
   44    HD2  TYR   7           HD2      TYR   7  -5.923  10.882  -2.067
   45    HE1  TYR   7           HE1      TYR   7  -3.994   9.783  -6.499
   46    HE2  TYR   7           HE2      TYR   7  -3.922  12.070  -2.864
   47    HH   TYR   7           HH       TYR   7  -2.027  11.433  -4.069
   48    H    THR   8           H        THR   8 -10.093   8.338  -5.141
   49    HA   THR   8           HA       THR   8 -12.121   7.368  -3.331
   50    HB   THR   8           HB       THR   8 -13.121   6.862  -5.763
   51    HG1  THR   8           HG1      THR   8 -11.120   7.183  -6.883
   52   1HG2  THR   8          HG21      THR   8 -12.432   9.651  -4.735
   53   2HG2  THR   8          HG22      THR   8 -13.703   9.265  -5.916
   54   3HG2  THR   8          HG23      THR   8 -13.844   8.682  -4.239
   55    H    LEU   9           H        LEU   9 -12.934   5.202  -3.166
   56    HA   LEU   9           HA       LEU   9 -11.048   3.146  -3.228
   57   1HB   LEU   9          HB2       LEU   9 -12.722   2.936  -1.870
   58   2HB   LEU   9          HB3       LEU   9 -14.035   3.202  -3.028
   59    HG   LEU   9           HG       LEU   9 -13.975   0.955  -2.112
   60   1HD1  LEU   9          HD11      LEU   9 -14.703   1.239  -4.485
   61   2HD1  LEU   9          HD12      LEU   9 -13.121   0.611  -4.996
   62   3HD1  LEU   9          HD13      LEU   9 -14.186  -0.388  -4.014
   63   1HD2  LEU   9          HD21      LEU   9 -11.130   0.737  -3.148
   64   2HD2  LEU   9          HD22      LEU   9 -11.684   0.743  -1.467
   65   3HD2  LEU   9          HD23      LEU   9 -12.102  -0.614  -2.529
   66    H    GLU  10           H        GLU  10 -13.398   4.021  -5.781
   67    HA   GLU  10           HA       GLU  10 -12.880   2.150  -7.749
   68   1HB   GLU  10          HB2       GLU  10 -14.370   4.077  -8.000
   69   2HB   GLU  10          HB3       GLU  10 -13.026   5.210  -7.981
   70   1HG   GLU  10          HG2       GLU  10 -12.186   4.398 -10.100
   71   2HG   GLU  10          HG3       GLU  10 -13.322   3.042 -10.091
   72    H    GLU  11           H        GLU  11 -10.961   5.061  -7.091
   73    HA   GLU  11           HA       GLU  11  -8.945   4.485  -9.028
   74   1HB   GLU  11          HB2       GLU  11  -8.970   6.285  -6.505
   75   2HB   GLU  11          HB3       GLU  11  -7.518   6.018  -7.392
   76   1HG   GLU  11          HG2       GLU  11 -10.001   7.146  -8.742
   77   2HG   GLU  11          HG3       GLU  11  -8.815   8.146  -7.873
   78    H    ILE  12           H        ILE  12  -9.190   3.949  -5.526
   79    HA   ILE  12           HA       ILE  12  -6.539   3.111  -5.316
   80    HB   ILE  12           HB       ILE  12  -8.964   2.573  -3.563
   81   1HG1  ILE  12          HG12      ILE  12  -6.581   4.324  -2.878
   82   2HG1  ILE  12          HG13      ILE  12  -7.835   4.960  -3.946
   83   1HG2  ILE  12          HG21      ILE  12  -6.065   1.893  -2.984
   84   2HG2  ILE  12          HG22      ILE  12  -7.333   1.998  -1.742
   85   3HG2  ILE  12          HG23      ILE  12  -7.469   0.791  -3.021
   86   1HD1  ILE  12          HD11      ILE  12  -8.269   3.974  -1.104
   87   2HD1  ILE  12          HD12      ILE  12  -8.258   5.646  -1.700
   88   3HD1  ILE  12          HD13      ILE  12  -9.538   4.543  -2.212
   89    H    GLN  13           H        GLU  13  -9.510   1.218  -5.821
   90    HA   GLN  13           HA       GLU  13  -8.276  -1.362  -5.891
   91   1HB   GLN  13          HB2       GLU  13 -10.732  -0.213  -7.314
   92   2HB   GLN  13          HB3       GLU  13 -10.198  -1.879  -7.552
   93   1HG   GLN  13          HG2       GLU  13 -10.388  -2.291  -5.101
   94   2HG   GLN  13          HG3       GLU  13 -11.008  -0.646  -4.901
   95    H    LYS  14           H        LYS  14  -8.918   1.035  -8.431
   96    HA   LYS  14           HA       LYS  14  -7.931  -0.361 -10.649
   97   1HB   LYS  14          HB2       LYS  14  -9.282   1.583 -10.752
   98   2HB   LYS  14          HB3       LYS  14  -8.130   2.580  -9.929
   99   1HG   LYS  14          HG2       LYS  14  -7.390   1.394 -12.593
  100   2HG   LYS  14          HG3       LYS  14  -8.502   2.771 -12.463
  101   1HD   LYS  14          HD2       LYS  14  -5.691   2.867 -11.295
  102   2HD   LYS  14          HD3       LYS  14  -6.134   3.428 -12.919
  103   1HE   LYS  14          HE2       LYS  14  -7.935   4.897 -11.817
  104   2HE   LYS  14          HE3       LYS  14  -7.188   4.490 -10.269
  105   1HZ   LYS  14          HZ1       LYS  14  -6.452   6.513 -10.932
  106   2HZ   LYS  14          HZ2       LYS  14  -5.163   5.529 -11.004
  107   3HZ   LYS  14          HZ3       LYS  14  -5.923   6.022 -12.410
  108    H    HIS  15           H        HIS  15  -6.217   1.585  -8.209
  109    HA   HIS  15           HA       HIS  15  -3.600   1.171  -9.443
  110   1HB   HIS  15          HB2       HIS  15  -4.597   2.533  -6.938
  111   2HB   HIS  15          HB3       HIS  15  -2.889   2.087  -7.199
  112    HD1  HIS  15           HD1      HIS  15  -1.561   3.094  -9.023
  113    HD2  HIS  15           HD2      HIS  15  -5.472   4.522  -8.750
  114    HE1  HIS  15           HE1      HIS  15  -1.752   5.054 -10.737
  115    H    ASN  16           H        ASN  16  -4.138  -1.142  -9.555
  116    HA   ASN  16           HA       ASN  16  -2.055  -2.212  -7.768
  117   1HB   ASN  16          HB2       ASN  16  -3.140  -4.249  -7.145
  118   2HB   ASN  16          HB3       ASN  16  -4.117  -2.872  -6.661
  119   1HD2  ASN  16          HD21      ASN  16  -5.681  -4.672  -6.402
  120   2HD2  ASN  16          HD22      ASN  16  -6.685  -5.048  -7.802
  121    H    ASN  17           H        ASN  17  -2.301  -1.222 -10.489
  122    HA   ASN  17           HA       ASN  17  -1.823  -3.578 -12.201
  123   1HB   ASN  17          HB2       ASN  17  -3.880  -2.051 -12.524
  124   2HB   ASN  17          HB3       ASN  17  -2.741  -0.776 -12.957
  125   1HD2  ASN  17          HD21      ASN  17  -4.057  -3.970 -13.853
  126   2HD2  ASN  17          HD22      ASN  17  -3.521  -3.935 -15.518
  127    H    SER  18           H        SER  18  -0.568  -2.202 -14.219
  128    HA   SER  18           HA       SER  18   2.116  -1.808 -12.968
  129   1HB   SER  18          HB2       SER  18   1.788  -3.571 -14.769
  130   2HB   SER  18          HB3       SER  18   1.481  -2.249 -15.913
  131    HG   SER  18           HG       SER  18   3.837  -2.668 -14.359
  132    H    LYS  19           H        LYS  19   0.917   0.157 -12.238
  133    HA   LYS  19           HA       LYS  19   1.145   2.484 -14.078
  134   1HB   LYS  19          HB2       LYS  19  -1.418   1.671 -12.599
  135   2HB   LYS  19          HB3       LYS  19  -1.204   3.107 -13.593
  136   1HG   LYS  19          HG2       LYS  19  -1.079   0.267 -14.625
  137   2HG   LYS  19          HG3       LYS  19  -2.521   1.274 -14.634
  138   1HD   LYS  19          HD2       LYS  19  -1.677   2.747 -16.265
  139   2HD   LYS  19          HD3       LYS  19  -0.001   2.289 -15.982
  140   1HE   LYS  19          HE2       LYS  19  -0.956   1.429 -18.139
  141   2HE   LYS  19          HE3       LYS  19  -0.173   0.228 -17.111
  142   1HZ   LYS  19          HZ1       LYS  19  -2.265  -0.575 -16.410
  143   2HZ   LYS  19          HZ2       LYS  19  -3.088   0.618 -17.212
  144   3HZ   LYS  19          HZ3       LYS  19  -2.256  -0.532 -18.045
  145    H    SER  20           H        SER  20  -0.194   1.474 -10.904
  146    HA   SER  20           HA       SER  20   2.100   2.013  -9.550
  147   1HB   SER  20          HB2       SER  20   0.600   4.438  -9.773
  148   2HB   SER  20          HB3       SER  20   0.346   3.853  -8.121
  149    HG   SER  20           HG       SER  20   2.452   3.973  -7.725
  150    H    THR  21           H        THR  21   1.884   0.980  -7.604
  151    HA   THR  21           HA       THR  21  -0.624  -0.579  -7.165
  152    HB   THR  21           HB       THR  21   2.285  -1.060  -6.469
  153    HG1  THR  21           HG1      THR  21   1.907  -2.803  -7.909
  154   1HG2  THR  21          HG21      THR  21   0.824  -1.950  -4.614
  155   2HG2  THR  21          HG22      THR  21  -0.127  -2.800  -5.859
  156   3HG2  THR  21          HG23      THR  21   1.562  -3.243  -5.561
  157    H    TRP  22           H        TRP  22  -1.917   0.214  -5.635
  158    HA   TRP  22           HA       TRP  22  -0.868   1.992  -3.493
  159   1HB   TRP  22          HB2       TRP  22  -3.410   1.769  -5.061
  160   2HB   TRP  22          HB3       TRP  22  -3.432   2.564  -3.560
  161    HD1  TRP  22           HD1      TRP  22  -0.225   3.331  -5.343
  162    HE1  TRP  22           HE1      TRP  22  -0.339   5.507  -6.640
  163    HE3  TRP  22           HE3      TRP  22  -5.095   4.442  -4.527
  164    HZ2  TRP  22           HZ2      TRP  22  -2.452   7.316  -7.592
  165    HZ3  TRP  22           HZ3      TRP  22  -6.183   6.337  -5.680
  166    HH2  TRP  22           HH2      TRP  22  -4.938   7.612  -7.416
  167    H    LEU  23           H        LEU  23  -1.744   1.708  -1.332
  168    HA   LEU  23           HA       LEU  23  -3.838  -0.292  -1.008
  169   1HB   LEU  23          HB2       LEU  23  -2.290  -1.150   1.108
  170   2HB   LEU  23          HB3       LEU  23  -2.595  -1.961  -0.380
  171    HG   LEU  23           HG       LEU  23  -0.445  -0.937  -1.331
  172   1HD1  LEU  23          HD11      LEU  23   0.600  -1.010   1.441
  173   2HD1  LEU  23          HD12      LEU  23   0.920   0.154   0.120
  174   3HD1  LEU  23          HD13      LEU  23  -0.521   0.320   1.139
  175   1HD2  LEU  23          HD21      LEU  23  -0.814  -3.309  -0.924
  176   2HD2  LEU  23          HD22      LEU  23   0.793  -2.857  -0.359
  177   3HD2  LEU  23          HD23      LEU  23  -0.523  -3.082   0.810
  178    H    ILE  24           H        ILE  24  -4.763  -0.310   1.139
  179    HA   ILE  24           HA       ILE  24  -4.527   2.367   2.437
  180    HB   ILE  24           HB       ILE  24  -6.720   0.309   2.899
  181   1HG1  ILE  24          HG12      ILE  24  -7.277   2.540   0.973
  182   2HG1  ILE  24          HG13      ILE  24  -6.634   0.997   0.393
  183   1HG2  ILE  24          HG21      ILE  24  -6.685   3.321   3.242
  184   2HG2  ILE  24          HG22      ILE  24  -8.025   2.242   3.676
  185   3HG2  ILE  24          HG23      ILE  24  -6.491   2.120   4.536
  186   1HD1  ILE  24          HD11      ILE  24  -9.121   1.063   2.108
  187   2HD1  ILE  24          HD12      ILE  24  -9.111   1.078   0.329
  188   3HD1  ILE  24          HD13      ILE  24  -8.421  -0.283   1.226
  189    H    LEU  25           H        LEU  25  -3.586   2.545   4.263
  190    HA   LEU  25           HA       LEU  25  -3.393   0.232   6.152
  191   1HB   LEU  25          HB2       LEU  25  -1.198   1.764   4.929
  192   2HB   LEU  25          HB3       LEU  25  -1.062   1.432   6.659
  193    HG   LEU  25           HG       LEU  25  -1.300  -0.990   6.167
  194   1HD1  LEU  25          HD11      LEU  25  -0.663  -1.601   3.720
  195   2HD1  LEU  25          HD12      LEU  25  -2.330  -1.247   4.143
  196   3HD1  LEU  25          HD13      LEU  25  -1.350  -0.010   3.313
  197   1HD2  LEU  25          HD21      LEU  25   0.986  -1.267   5.198
  198   2HD2  LEU  25          HD22      LEU  25   0.981   0.457   4.759
  199   3HD2  LEU  25          HD23      LEU  25   0.937  -0.023   6.470
  200    H    HIS  26           H        HIS  26  -5.031   1.128   7.380
  201    HA   HIS  26           HA       HIS  26  -5.946   2.393   9.025
  202   1HB   HIS  26          HB2       HIS  26  -3.463   4.127   9.208
  203   2HB   HIS  26          HB3       HIS  26  -4.651   3.763  10.446
  204    HD1  HIS  26           HD1      HIS  26  -4.379   1.274  11.628
  205    HD2  HIS  26           HD2      HIS  26  -1.403   2.466   8.893
  206    HE1  HIS  26           HE1      HIS  26  -2.387  -0.286  11.973
  207    H    TYR  27           H        TYR  27  -6.745   2.878   6.579
  208    HA   TYR  27           HA       TYR  27  -7.944   4.249   5.282
  209   1HB   TYR  27          HB2       TYR  27  -7.900   6.153   7.635
  210   2HB   TYR  27          HB3       TYR  27  -8.991   6.226   6.260
  211    HD1  TYR  27           HD1      TYR  27  -9.565   3.115   6.101
  212    HD2  TYR  27           HD2      TYR  27  -9.640   6.029   9.293
  213    HE1  TYR  27           HE1      TYR  27 -11.536   2.037   7.024
  214    HE2  TYR  27           HE2      TYR  27 -11.561   4.833  10.303
  215    HH   TYR  27           HH       TYR  27 -13.163   2.077   8.708
  216    H    LYS  28           H        LYS  28  -4.966   5.696   6.397
  217    HA   LYS  28           HA       LYS  28  -4.854   7.590   4.183
  218   1HB   LYS  28          HB2       LYS  28  -2.688   6.194   5.781
  219   2HB   LYS  28          HB3       LYS  28  -2.417   7.445   4.563
  220   1HG   LYS  28          HG2       LYS  28  -4.045   7.821   7.100
  221   2HG   LYS  28          HG3       LYS  28  -2.317   8.144   6.942
  222   1HD   LYS  28          HD2       LYS  28  -4.472   9.534   5.326
  223   2HD   LYS  28          HD3       LYS  28  -3.728  10.168   6.775
  224   1HE   LYS  28          HE2       LYS  28  -2.140  11.145   5.555
  225   2HE   LYS  28          HE3       LYS  28  -1.475   9.548   5.240
  226   1HZ   LYS  28          HZ1       LYS  28  -2.975   9.565   3.182
  227   2HZ   LYS  28          HZ2       LYS  28  -3.298  11.121   3.504
  228   3HZ   LYS  28          HZ3       LYS  28  -1.791  10.690   3.205
  229    H    VAL  29           H        VAL  29  -3.333   7.239   2.358
  230    HA   VAL  29           HA       VAL  29  -3.471   4.466   1.268
  231    HB   VAL  29           HB       VAL  29  -4.295   7.019  -0.083
  232   1HG1  VAL  29          HG11      VAL  29  -4.643   5.795  -2.099
  233   2HG1  VAL  29          HG12      VAL  29  -2.919   5.786  -1.714
  234   3HG1  VAL  29          HG13      VAL  29  -3.890   4.331  -1.415
  235   1HG2  VAL  29          HG21      VAL  29  -5.634   4.310   0.204
  236   2HG2  VAL  29          HG22      VAL  29  -5.983   5.692   1.274
  237   3HG2  VAL  29          HG23      VAL  29  -6.348   5.795  -0.460
  238    H    TYR  30           H        TYR  30  -1.857   3.741   0.159
  239    HA   TYR  30           HA       TYR  30   0.776   5.115   0.476
  240   1HB   TYR  30          HB2       TYR  30  -0.419   2.408   1.069
  241   2HB   TYR  30          HB3       TYR  30   1.287   2.571   1.110
  242    HD1  TYR  30           HD1      TYR  30   2.271   3.883   3.099
  243    HD2  TYR  30           HD2      TYR  30  -1.970   3.380   2.609
  244    HE1  TYR  30           HE1      TYR  30   1.868   4.643   5.465
  245    HE2  TYR  30           HE2      TYR  30  -2.339   4.252   4.845
  246    HH   TYR  30           HH       TYR  30  -1.360   4.381   6.911
  247    H    ASP  31           H        ASP  31   1.859   5.200  -1.527
  248    HA   ASP  31           HA       ASP  31   1.236   3.167  -3.640
  249   1HB   ASP  31          HB2       ASP  31   1.536   5.538  -4.422
  250   2HB   ASP  31          HB3       ASP  31   3.153   5.483  -3.603
  251    H    LEU  32           H        LEU  32   2.653   1.494  -3.962
  252    HA   LEU  32           HA       LEU  32   5.228   1.665  -2.486
  253   1HB   LEU  32          HB2       LEU  32   3.767  -0.860  -3.414
  254   2HB   LEU  32          HB3       LEU  32   5.226  -0.830  -2.435
  255    HG   LEU  32           HG       LEU  32   2.490   0.136  -1.712
  256   1HD1  LEU  32          HD11      LEU  32   2.586  -1.533   0.075
  257   2HD1  LEU  32          HD12      LEU  32   2.855  -2.307  -1.503
  258   3HD1  LEU  32          HD13      LEU  32   4.225  -1.976  -0.390
  259   1HD2  LEU  32          HD21      LEU  32   3.239   0.630   0.539
  260   2HD2  LEU  32          HD22      LEU  32   4.940   0.317   0.060
  261   3HD2  LEU  32          HD23      LEU  32   4.034   1.699  -0.597
  262    H    THR  33           H        THR  33   3.950   0.144  -5.461
  263    HA   THR  33           HA       THR  33   5.084  -0.484  -7.348
  264    HB   THR  33           HB       THR  33   5.354   2.565  -7.398
  265    HG1  THR  33           HG1      THR  33   3.319   2.365  -6.873
  266   1HG2  THR  33          HG21      THR  33   4.732   0.504  -9.573
  267   2HG2  THR  33          HG22      THR  33   4.747   2.269  -9.771
  268   3HG2  THR  33          HG23      THR  33   6.257   1.406  -9.425
  269    H    LYS  34           H        LYS  34   7.322   2.268  -6.796
  270    HA   LYS  34           HA       LYS  34   9.623   0.960  -7.683
  271   1HB   LYS  34          HB2       LYS  34  10.832   2.728  -6.774
  272   2HB   LYS  34          HB3       LYS  34   9.303   3.419  -7.282
  273   1HG   LYS  34          HG2       LYS  34   9.188   2.696  -4.416
  274   2HG   LYS  34          HG3       LYS  34  10.654   3.571  -4.775
  275   1HD   LYS  34          HD2       LYS  34   9.215   5.265  -4.190
  276   2HD   LYS  34          HD3       LYS  34   9.101   5.316  -5.958
  277   1HE   LYS  34          HE2       LYS  34   7.010   3.873  -5.768
  278   2HE   LYS  34          HE3       LYS  34   7.167   3.937  -4.001
  279   1HZ   LYS  34          HZ1       LYS  34   6.681   6.228  -4.063
  280   2HZ   LYS  34          HZ2       LYS  34   6.718   6.270  -5.725
  281   3HZ   LYS  34          HZ3       LYS  34   5.568   5.403  -4.960
  282    H    PHE  35           H        PHE  35   7.959   0.611  -4.656
  283    HA   PHE  35           HA       PHE  35  10.248  -0.440  -3.180
  284   1HB   PHE  35          HB2       PHE  35   8.356   0.993  -2.162
  285   2HB   PHE  35          HB3       PHE  35   7.265  -0.383  -2.483
  286    HD1  PHE  35           HD1      PHE  35   6.716  -1.610  -0.598
  287    HD2  PHE  35           HD2      PHE  35  10.676   0.076  -0.920
  288    HE1  PHE  35           HE1      PHE  35   7.332  -2.662   1.512
  289    HE2  PHE  35           HE2      PHE  35  11.344  -1.091   1.147
  290    HZ   PHE  35           HZ       PHE  35   9.693  -2.476   2.381
  291    H    LEU  36           H        LEU  36   7.650  -1.639  -5.133
  292    HA   LEU  36           HA       LEU  36   7.282  -4.275  -4.159
  293   1HB   LEU  36          HB2       LEU  36   7.460  -3.249  -7.032
  294   2HB   LEU  36          HB3       LEU  36   6.728  -4.734  -6.542
  295    HG   LEU  36           HG       LEU  36   5.657  -2.034  -5.767
  296   1HD1  LEU  36          HD11      LEU  36   3.857  -2.651  -7.337
  297   2HD1  LEU  36          HD12      LEU  36   5.417  -2.722  -8.183
  298   3HD1  LEU  36          HD13      LEU  36   4.636  -4.210  -7.644
  299   1HD2  LEU  36          HD21      LEU  36   3.735  -3.201  -4.880
  300   2HD2  LEU  36          HD22      LEU  36   4.495  -4.774  -5.198
  301   3HD2  LEU  36          HD23      LEU  36   5.200  -3.653  -4.017
  302    H    GLU  37           H        GLU  37   9.816  -2.878  -6.188
  303    HA   GLU  37           HA       GLU  37  11.392  -5.171  -6.687
  304   1HB   GLU  37          HB2       GLU  37  12.097  -2.216  -6.352
  305   2HB   GLU  37          HB3       GLU  37  13.184  -3.423  -6.998
  306   1HG   GLU  37          HG2       GLU  37  11.578  -3.897  -8.846
  307   2HG   GLU  37          HG3       GLU  37  10.454  -2.692  -8.196
  308    H    GLU  38           H        GLU  38  11.496  -2.817  -3.982
  309    HA   GLU  38           HA       GLU  38  13.914  -3.883  -2.812
  310   1HB   GLU  38          HB2       GLU  38  11.784  -2.051  -1.648
  311   2HB   GLU  38          HB3       GLU  38  13.430  -2.249  -1.046
  312   1HG   GLU  38          HG2       GLU  38  14.324  -1.218  -3.099
  313   2HG   GLU  38          HG3       GLU  38  12.691  -1.054  -3.768
  314    H    HIS  39           HN       HIS  39  10.463  -4.201  -2.215
  315    HA   HIS  39           HA       HIS  39  10.442  -4.702   0.448
  316   1HB   HIS  39          HB2       HIS  39   8.495  -4.060  -0.864
  317   2HB   HIS  39          HB3       HIS  39   8.514  -5.624  -1.682
  318    HD1  HIS  39           HD1      HIS  39   6.799  -7.232  -0.737
  319    HD2  HIS  39           HD2      HIS  39   8.412  -4.597   2.121
  320    HE1  HIS  39           HE1      HIS  39   5.671  -7.763   1.483
  321    HA   PRO  40           HA       PRO  40  12.225  -8.863   0.752
  322   1HB   PRO  40          HB2       PRO  40  10.785  -8.690   3.416
  323   2HB   PRO  40          HB3       PRO  40  12.395  -9.384   3.063
  324   1HG   PRO  40          HG2       PRO  40  12.247  -6.881   4.066
  325   2HG   PRO  40          HG3       PRO  40  13.305  -7.180   2.654
  326   1HD   PRO  40          HD2       PRO  40  10.502  -6.052   2.677
  327   2HD   PRO  40          HD3       PRO  40  11.963  -5.450   1.820
  328    H    GLY  41           H        GLY  41   8.797  -8.267   1.684
  329   1HA   GLY  41          HA1       GLY  41   7.957 -11.022   1.415
  330   2HA   GLY  41          HA2       GLY  41   6.935  -9.622   1.516
  331    H    GLY  42           H        GLY  42   8.957  -8.879  -1.080
  332   1HA   GLY  42          HA1       GLY  42   8.871  -9.281  -3.331
  333   2HA   GLY  42          HA2       GLY  42   7.639 -10.528  -3.108
  334    H    GLU  43           H        GLU  43   6.859  -9.407  -5.080
  335    HA   GLU  43           HA       GLU  43   5.416  -6.818  -4.707
  336   1HB   GLU  43          HB2       GLU  43   6.943  -6.921  -6.597
  337   2HB   GLU  43          HB3       GLU  43   6.257  -8.393  -7.199
  338   1HG   GLU  43          HG2       GLU  43   4.303  -6.218  -7.007
  339   2HG   GLU  43          HG3       GLU  43   5.641  -6.019  -8.186
  340    H    GLU  44           H        GLU  44   5.128 -10.186  -5.677
  341    HA   GLU  44           HA       GLU  44   2.598 -10.488  -6.492
  342   1HB   GLU  44          HB2       GLU  44   3.875 -12.505  -4.580
  343   2HB   GLU  44          HB3       GLU  44   2.781 -12.783  -5.935
  344   1HG   GLU  44          HG2       GLU  44   4.792 -13.389  -6.876
  345   2HG   GLU  44          HG3       GLU  44   4.770 -11.691  -7.355
  346    H    VAL  45           H        VAL  45   3.477 -11.020  -3.049
  347    HA   VAL  45           HA       VAL  45   0.784 -11.213  -2.161
  348    HB   VAL  45           HB       VAL  45   2.874 -12.130  -1.073
  349   1HG1  VAL  45          HG11      VAL  45   3.077  -9.398   0.254
  350   2HG1  VAL  45          HG12      VAL  45   4.118 -10.808   0.492
  351   3HG1  VAL  45          HG13      VAL  45   4.146  -9.938  -1.057
  352   1HG2  VAL  45          HG21      VAL  45   0.882 -10.648   0.682
  353   2HG2  VAL  45          HG22      VAL  45   0.711 -12.280   0.017
  354   3HG2  VAL  45          HG23      VAL  45   1.970 -11.943   1.217
  355    H    LEU  46           H        LEU  46   2.882  -8.410  -2.665
  356    HA   LEU  46           HA       LEU  46   1.233  -6.550  -1.110
  357   1HB   LEU  46          HB2       LEU  46   3.575  -6.360  -2.988
  358   2HB   LEU  46          HB3       LEU  46   2.477  -4.977  -2.942
  359    HG   LEU  46           HG       LEU  46   2.780  -4.661  -0.606
  360   1HD1  LEU  46          HD11      LEU  46   4.213  -6.051   0.755
  361   2HD1  LEU  46          HD12      LEU  46   2.848  -6.994   0.205
  362   3HD1  LEU  46          HD13      LEU  46   4.416  -7.221  -0.588
  363   1HD2  LEU  46          HD21      LEU  46   5.476  -5.263  -1.902
  364   2HD2  LEU  46          HD22      LEU  46   4.584  -3.733  -1.965
  365   3HD2  LEU  46          HD23      LEU  46   5.241  -4.300  -0.429
  366    H    ARG  47           H        ARG  47   1.374  -7.643  -4.511
  367    HA   ARG  47           HA       ARG  47  -0.648  -5.719  -5.214
  368   1HB   ARG  47          HB2       ARG  47   0.737  -7.919  -6.718
  369   2HB   ARG  47          HB3       ARG  47  -0.628  -7.013  -7.406
  370   1HG   ARG  47          HG2       ARG  47   0.574  -4.850  -6.863
  371   2HG   ARG  47          HG3       ARG  47   1.952  -5.813  -6.272
  372   1HD   ARG  47          HD2       ARG  47   2.499  -5.274  -8.531
  373   2HD   ARG  47          HD3       ARG  47   1.894  -6.957  -8.507
  374    HE   ARG  47           HE       ARG  47  -0.228  -5.059  -9.054
  375   1HH1  ARG  47          HH22      ARG  47   2.542  -6.766 -10.506
  376   2HH1  ARG  47          HH21      ARG  47   1.746  -7.046 -12.024
  377   1HH2  ARG  47          HH11      ARG  47  -1.258  -5.349 -10.935
  378   2HH2  ARG  47          HH12      ARG  47  -0.556  -6.208 -12.306
  379    H    GLU  48           H        GLU  48  -0.654  -9.172  -4.604
  380    HA   GLU  48           HA       GLU  48  -3.296  -9.947  -4.997
  381   1HB   GLU  48          HB2       GLU  48  -1.480 -11.367  -4.137
  382   2HB   GLU  48          HB3       GLU  48  -1.408 -10.411  -2.656
  383   1HG   GLU  48          HG2       GLU  48  -3.732 -11.183  -2.096
  384   2HG   GLU  48          HG3       GLU  48  -3.724 -12.179  -3.567
  385    H    GLN  49           H        GLN  49  -1.959  -8.138  -2.211
  386    HA   GLN  49           HA       GLN  49  -4.573  -7.598  -1.018
  387   1HB   GLN  49          HB2       GLN  49  -1.666  -7.047  -0.422
  388   2HB   GLN  49          HB3       GLN  49  -2.863  -5.962   0.266
  389   1HG   GLN  49          HG2       GLN  49  -2.250  -7.830   1.775
  390   2HG   GLN  49          HG3       GLN  49  -3.978  -7.651   1.439
  391   1HE2  GLN  49          HE21      GLN  49  -1.211  -9.423  -0.178
  392   2HE2  GLN  49          HE22      GLN  49  -2.060 -10.958  -0.233
  393    H    ALA  50           H        ALA  50  -2.275  -5.826  -3.029
  394    HA   ALA  50           HA       ALA  50  -3.030  -3.246  -2.450
  395   1HB   ALA  50          HB1       ALA  50  -1.013  -3.800  -3.752
  396   2HB   ALA  50          HB2       ALA  50  -2.077  -4.212  -5.140
  397   3HB   ALA  50          HB3       ALA  50  -1.996  -2.564  -4.548
  398    H    GLY  51           H        GLY  51  -4.066  -1.622  -3.608
  399   1HA   GLY  51          HA1       GLY  51  -6.107  -0.739  -4.094
  400   2HA   GLY  51          HA2       GLY  51  -6.119  -1.858  -5.487
  401    H    GLY  52           H        GLY  52  -5.944  -1.894  -1.904
  402   1HA   GLY  52          HA1       GLY  52  -8.639  -2.100  -1.295
  403   2HA   GLY  52          HA2       GLY  52  -7.937  -3.748  -1.300
  404    H    ASP  53           H        ASP  53  -8.431  -3.440   0.928
  405    HA   ASP  53           HA       ASP  53  -6.791  -1.829   2.698
  406   1HB   ASP  53          HB2       ASP  53  -8.903  -2.755   3.602
  407   2HB   ASP  53          HB3       ASP  53  -8.258  -4.407   3.417
  408    H    ALA  54           H        ALA  54  -4.772  -2.169   3.370
  409    HA   ALA  54           HA       ALA  54  -4.054  -5.005   3.817
  410   1HB   ALA  54          HB1       ALA  54  -2.746  -4.415   1.849
  411   2HB   ALA  54          HB2       ALA  54  -2.100  -2.990   2.664
  412   3HB   ALA  54          HB3       ALA  54  -1.713  -4.613   3.278
  413    H    THR  55           H        THR  55  -5.183  -2.498   5.351
  414    HA   THR  55           HA       THR  55  -3.187  -1.826   7.228
  415    HB   THR  55           HB       THR  55  -6.182  -2.075   7.858
  416    HG1  THR  55           HG1      THR  55  -6.064  -0.888   6.034
  417   1HG2  THR  55          HG21      THR  55  -4.656  -1.584   9.762
  418   2HG2  THR  55          HG22      THR  55  -3.913  -0.274   8.821
  419   3HG2  THR  55          HG23      THR  55  -5.613  -0.149   9.345
  420    H    GLU  56           H        GLU  56  -5.775  -4.409   7.277
  421    HA   GLU  56           HA       GLU  56  -4.867  -5.508   9.767
  422   1HB   GLU  56          HB2       GLU  56  -7.144  -5.822   8.757
  423   2HB   GLU  56          HB3       GLU  56  -6.445  -6.813   7.472
  424   1HG   GLU  56          HG2       GLU  56  -5.710  -8.477   9.141
  425   2HG   GLU  56          HG3       GLU  56  -6.274  -7.431  10.459
  426    H    ASN  57           H        ASN  57  -4.421  -6.581   6.369
  427    HA   ASN  57           HA       ASN  57  -2.727  -8.680   6.795
  428   1HB   ASN  57          HB2       ASN  57  -3.539  -7.115   4.565
  429   2HB   ASN  57          HB3       ASN  57  -1.792  -7.212   4.447
  430   1HD2  ASN  57          HD21      ASN  57  -4.653  -8.740   3.592
  431   2HD2  ASN  57          HD22      ASN  57  -3.980 -10.317   3.251
  432    H    PHE  58           H        PHE  58  -1.629  -5.273   6.554
  433    HA   PHE  58           HA       PHE  58   1.164  -5.739   6.735
  434   1HB   PHE  58          HB2       PHE  58   0.137  -3.624   6.056
  435   2HB   PHE  58          HB3       PHE  58  -0.555  -3.406   7.655
  436    HD1  PHE  58           HD1      PHE  58   0.637  -2.153   9.281
  437    HD2  PHE  58           HD2      PHE  58   2.727  -3.690   5.838
  438    HE1  PHE  58           HE1      PHE  58   2.453  -0.532   9.663
  439    HE2  PHE  58           HE2      PHE  58   4.549  -2.051   6.218
  440    HZ   PHE  58           HZ       PHE  58   4.419  -0.458   8.130
  441    H    GLU  59           H        GLU  59  -1.253  -5.029   9.309
  442    HA   GLU  59           HA       GLU  59   0.671  -5.137  11.453
  443   1HB   GLU  59          HB2       GLU  59  -2.383  -5.229  11.307
  444   2HB   GLU  59          HB3       GLU  59  -1.497  -5.154  12.819
  445   1HG   GLU  59          HG2       GLU  59  -1.379  -3.067  10.575
  446   2HG   GLU  59          HG3       GLU  59  -2.291  -2.921  12.078
  447    H    ASP  60           H        ASP  60  -1.869  -7.339  10.481
  448    HA   ASP  60           HA       ASP  60  -1.625  -9.654  11.875
  449   1HB   ASP  60          HB2       ASP  60  -3.178  -9.281   9.949
  450   2HB   ASP  60          HB3       ASP  60  -1.803  -9.172   8.880
  451    H    HIS  61           H        HIS  61   0.357  -8.849   8.982
  452    HA   HIS  61           HA       HIS  61   2.222 -11.034   9.367
  453   1HB   HIS  61          HB2       HIS  61   2.281  -8.501   7.704
  454   2HB   HIS  61          HB3       HIS  61   3.623  -9.645   7.765
  455    HD1  HIS  61           HD1      HIS  61  -0.079 -10.897   7.614
  456    HD2  HIS  61           HD2      HIS  61   3.524 -10.685   5.430
  457    HE1  HIS  61           HE1      HIS  61  -0.402 -12.298   5.536
  458    H    GLY  62           H        GLY  62   2.315  -7.577  10.281
  459   1HA   GLY  62          HA1       GLY  62   3.390  -6.756  12.201
  460   2HA   GLY  62          HA2       GLY  62   4.439  -8.180  12.290
  461    H    HIS  63           HN       HIS  63   4.730  -5.040  11.872
  462    HA   HIS  63           HA       HIS  63   6.861  -5.127   9.826
  463   1HB   HIS  63          HB2       HIS  63   4.162  -3.784   9.568
  464   2HB   HIS  63          HB3       HIS  63   5.590  -3.053   8.845
  465    HD1  HIS  63           HD1      HIS  63   3.279  -6.032   8.293
  466    HD2  HIS  63           HD2      HIS  63   6.811  -4.272   6.859
  467    HE1  HIS  63           HE1      HIS  63   3.682  -7.016   5.976
  468    H    SER  64           H        SER  64   8.501  -4.085  10.602
  469    HA   SER  64           HA       SER  64   8.470  -2.905  13.146
  470   1HB   SER  64          HB2       SER  64  10.679  -2.928  11.028
  471   2HB   SER  64          HB3       SER  64  10.910  -2.736  12.770
  472    HG   SER  64           HG       SER  64  10.059  -4.987  11.307
  473    H    THR  65           H        THR  65   9.864  -0.873  13.605
  474    HA   THR  65           HA       THR  65   8.569   1.497  12.908
  475    HB   THR  65           HB       THR  65   9.861   1.540  14.745
  476    HG1  THR  65           HG1      THR  65   9.958   3.424  13.259
  477   1HG2  THR  65          HG21      THR  65  12.336   1.345  14.843
  478   2HG2  THR  65          HG22      THR  65  11.642  -0.172  14.260
  479   3HG2  THR  65          HG23      THR  65  12.390   0.963  13.118
  480    H    ASP  66           H        ASP  66  11.366  -0.074  11.363
  481    HA   ASP  66           HA       ASP  66  12.110   1.745   9.446
  482   1HB   ASP  66          HB2       ASP  66  11.801  -1.260   8.930
  483   2HB   ASP  66          HB3       ASP  66  13.019  -0.157   8.285
  484    H    ALA  67           H        ALA  67   9.639  -0.790   9.132
  485    HA   ALA  67           HA       ALA  67   8.789  -0.155   6.529
  486   1HB   ALA  67          HB1       ALA  67   8.543  -2.392   7.523
  487   2HB   ALA  67          HB2       ALA  67   7.434  -1.743   8.742
  488   3HB   ALA  67          HB3       ALA  67   6.954  -1.759   7.033
  489    H    ARG  68           H        ARG  68   7.574   0.583   9.775
  490    HA   ARG  68           HA       ARG  68   5.262   2.119   9.231
  491   1HB   ARG  68          HB2       ARG  68   7.229   1.759  11.355
  492   2HB   ARG  68          HB3       ARG  68   6.672   3.423  11.328
  493   1HG   ARG  68          HG2       ARG  68   5.273   2.438  12.825
  494   2HG   ARG  68          HG3       ARG  68   4.280   2.410  11.361
  495   1HD   ARG  68          HD2       ARG  68   4.866   0.026  11.024
  496   2HD   ARG  68          HD3       ARG  68   5.965   0.062  12.410
  497    HE   ARG  68           HE       ARG  68   3.764   0.903  13.629
  498   1HH1  ARG  68          HH22      ARG  68   4.298  -2.095  11.780
  499   2HH1  ARG  68          HH21      ARG  68   2.557  -2.497  11.840
  500   1HH2  ARG  68          HH11      ARG  68   1.689   0.037  14.102
  501   2HH2  ARG  68          HH12      ARG  68   1.208  -1.472  13.405
  502    H    GLU  69           H        GLU  69   8.539   3.491   9.851
  503    HA   GLU  69           HA       GLU  69   8.055   6.041   8.923
  504   1HB   GLU  69          HB2       GLU  69  10.217   4.767   9.982
  505   2HB   GLU  69          HB3       GLU  69  10.763   4.884   8.312
  506   1HG   GLU  69          HG2       GLU  69  11.529   6.795   9.655
  507   2HG   GLU  69          HG3       GLU  69  10.382   7.363   8.431
  508    H    LEU  70           H        LEU  70   9.282   3.307   6.962
  509    HA   LEU  70           HA       LEU  70   9.361   4.622   4.521
  510   1HB   LEU  70          HB2       LEU  70   9.032   1.757   5.396
  511   2HB   LEU  70          HB3       LEU  70   8.468   2.066   3.826
  512    HG   LEU  70           HG       LEU  70  10.616   1.388   3.430
  513   1HD1  LEU  70          HD11      LEU  70   9.983   3.733   2.442
  514   2HD1  LEU  70          HD12      LEU  70  11.253   4.341   3.513
  515   3HD1  LEU  70          HD13      LEU  70  11.651   3.132   2.282
  516   1HD2  LEU  70          HD21      LEU  70  11.585   3.160   5.703
  517   2HD2  LEU  70          HD22      LEU  70  11.525   1.379   5.657
  518   3HD2  LEU  70          HD23      LEU  70  12.638   2.252   4.595
  519    H    SER  71           H        SER  71   6.520   3.129   6.059
  520    HA   SER  71           HA       SER  71   4.811   3.498   3.792
  521   1HB   SER  71          HB2       SER  71   3.094   2.674   5.137
  522   2HB   SER  71          HB3       SER  71   4.512   1.925   5.838
  523    HG   SER  71           HG       SER  71   4.502   3.678   7.384
  524    H    LYS  72           H        LYS  72   5.880   5.658   6.344
  525    HA   LYS  72           HA       LYS  72   3.876   7.729   5.850
  526   1HB   LYS  72          HB2       LYS  72   6.759   8.245   6.698
  527   2HB   LYS  72          HB3       LYS  72   5.338   9.259   6.934
  528   1HG   LYS  72          HG2       LYS  72   4.368   7.491   8.394
  529   2HG   LYS  72          HG3       LYS  72   5.857   6.560   8.228
  530   1HD   LYS  72          HD2       LYS  72   7.162   8.530   9.031
  531   2HD   LYS  72          HD3       LYS  72   5.648   9.350   9.450
  532   1HE   LYS  72          HE2       LYS  72   5.126   7.663  11.143
  533   2HE   LYS  72          HE3       LYS  72   6.385   6.587  10.518
  534   1HZ   LYS  72          HZ1       LYS  72   7.818   8.730  11.106
  535   2HZ   LYS  72          HZ2       LYS  72   6.756   8.700  12.396
  536   3HZ   LYS  72          HZ3       LYS  72   7.740   7.415  11.934
  537    H    THR  73           H        THR  73   7.197   7.223   4.659
  538    HA   THR  73           HA       THR  73   6.922   9.445   2.826
  539    HB   THR  73           HB       THR  73   9.135   8.643   3.633
  540    HG1  THR  73           HG1      THR  73   8.523   9.129   0.919
  541   1HG2  THR  73          HG21      THR  73   8.842   6.554   1.427
  542   2HG2  THR  73          HG22      THR  73  10.350   7.025   2.231
  543   3HG2  THR  73          HG23      THR  73   9.059   6.274   3.167
  544    H    PHE  74           H        PHE  74   5.940   6.112   2.537
  545    HA   PHE  74           HA       PHE  74   5.398   6.249  -0.336
  546   1HB   PHE  74          HB2       PHE  74   4.336   4.428   1.831
  547   2HB   PHE  74          HB3       PHE  74   4.147   4.166   0.120
  548    HD1  PHE  74           HD1      PHE  74   7.336   5.239  -0.174
  549    HD2  PHE  74           HD2      PHE  74   5.150   2.050   1.744
  550    HE1  PHE  74           HE1      PHE  74   9.369   3.850  -0.154
  551    HE2  PHE  74           HE2      PHE  74   7.152   0.591   1.518
  552    HZ   PHE  74           HZ       PHE  74   9.303   1.578   0.871
  553    H    ILE  75           H        ILE  75   3.747   7.612   2.377
  554    HA   ILE  75           HA       ILE  75   1.095   7.385   1.516
  555    HB   ILE  75           HB       ILE  75   2.578   9.652   2.886
  556   1HG1  ILE  75          HG12      ILE  75   2.173   7.736   4.284
  557   2HG1  ILE  75          HG13      ILE  75   1.127   9.078   4.765
  558   1HG2  ILE  75          HG21      ILE  75   0.367  10.723   3.371
  559   2HG2  ILE  75          HG22      ILE  75   0.939  10.914   1.721
  560   3HG2  ILE  75          HG23      ILE  75  -0.338   9.733   2.065
  561   1HD1  ILE  75          HD11      ILE  75  -0.712   7.970   3.379
  562   2HD1  ILE  75          HD12      ILE  75   0.328   6.541   3.320
  563   3HD1  ILE  75          HD13      ILE  75  -0.204   7.163   4.887
  564    H    ILE  76           H        ILE  76  -0.142   8.024  -0.083
  565    HA   ILE  76           HA       ILE  76   0.730  10.359  -1.759
  566    HB   ILE  76           HB       ILE  76  -0.111   9.311  -3.735
  567   1HG1  ILE  76          HG12      ILE  76  -0.485   6.591  -3.288
  568   2HG1  ILE  76          HG13      ILE  76  -1.221   7.286  -1.859
  569   1HG2  ILE  76          HG21      ILE  76   2.254   8.945  -2.995
  570   2HG2  ILE  76          HG22      ILE  76   1.762   7.331  -2.436
  571   3HG2  ILE  76          HG23      ILE  76   1.613   7.773  -4.151
  572   1HD1  ILE  76          HD11      ILE  76  -1.846   8.066  -4.744
  573   2HD1  ILE  76          HD12      ILE  76  -2.829   6.992  -3.732
  574   3HD1  ILE  76          HD13      ILE  76  -2.676   8.698  -3.312
  575    H    GLY  77           H        GLY  77  -1.834   9.025   0.180
  576   1HA   GLY  77          HA1       GLY  77  -3.977  10.845  -0.830
  577   2HA   GLY  77          HA2       GLY  77  -3.972   9.167  -1.390
  578    H    GLU  78           H        GLU  78  -6.152   9.857  -0.134
  579    HA   GLU  78           HA       GLU  78  -5.887   8.229   2.264
  580   1HB   GLU  78          HB2       GLU  78  -7.690  10.685   1.938
  581   2HB   GLU  78          HB3       GLU  78  -7.496   9.712   3.407
  582   1HG   GLU  78          HG2       GLU  78  -6.544  11.856   3.763
  583   2HG   GLU  78          HG3       GLU  78  -5.292  10.630   3.755
  584    H    LEU  79           H        LEU  79  -7.872   7.179   2.727
  585    HA   LEU  79           HA       LEU  79  -9.175   6.197   0.287
  586   1HB   LEU  79          HB2       LEU  79  -8.204   4.746   1.996
  587   2HB   LEU  79          HB3       LEU  79  -9.242   5.454   3.226
  588    HG   LEU  79           HG       LEU  79  -9.644   3.133   1.769
  589   1HD1  LEU  79          HD11      LEU  79 -11.672   4.669   3.382
  590   2HD1  LEU  79          HD12      LEU  79 -11.599   2.902   3.113
  591   3HD1  LEU  79          HD13      LEU  79 -10.340   3.688   4.058
  592   1HD2  LEU  79          HD21      LEU  79 -10.662   4.482  -0.138
  593   2HD2  LEU  79          HD22      LEU  79 -11.622   3.194   0.596
  594   3HD2  LEU  79          HD23      LEU  79 -11.975   4.871   1.014
  595    H    HIS  80           H        HIS  80 -10.843   7.253  -0.522
  596    HA   HIS  80           HA       HIS  80 -11.925   9.332   0.684
  597   1HB   HIS  80          HB2       HIS  80 -12.094   8.942  -1.694
  598   2HB   HIS  80          HB3       HIS  80 -13.357   7.725  -1.423
  599    HD1  HIS  80           HD1      HIS  80 -15.814   8.869  -0.907
  600    HD2  HIS  80           HD2      HIS  80 -12.488  11.403  -0.670
  601    HE1  HIS  80           HE1      HIS  80 -16.680  11.151  -0.146
  602    HA   PRO  81           HA       PRO  81 -13.988   7.455   3.752
  603   1HB   PRO  81          HB2       PRO  81 -15.597  10.094   4.128
  604   2HB   PRO  81          HB3       PRO  81 -14.826   9.150   5.381
  605   1HG   PRO  81          HG2       PRO  81 -13.637  11.441   4.334
  606   2HG   PRO  81          HG3       PRO  81 -12.590   9.977   4.463
  607   1HD   PRO  81          HD2       PRO  81 -14.280  10.899   2.126
  608   2HD   PRO  81          HD3       PRO  81 -12.550  10.580   2.155
  609    H    ASP  82           H        ASP  82 -15.974   8.607   1.434
  610    HA   ASP  82           HA       ASP  82 -18.535   7.963   2.538
  611   1HB   ASP  82          HB2       ASP  82 -18.233   9.215   0.377
  612   2HB   ASP  82          HB3       ASP  82 -17.569   7.741  -0.373
  613    H    ASP  83           H        ASP  83 -15.871   6.211   1.175
  614    HA   ASP  83           HA       ASP  83 -16.578   3.612   0.797
  615   1HB   ASP  83          HB2       ASP  83 -14.355   4.789   0.580
  616   2HB   ASP  83          HB3       ASP  83 -14.082   4.727   2.247
  617    H    ARG  84           H        ARG  84 -15.120   4.647   3.812
  618    HA   ARG  84           HA       ARG  84 -15.369   2.032   4.768
  619   1HB   ARG  84          HB2       ARG  84 -13.947   2.869   6.641
  620   2HB   ARG  84          HB3       ARG  84 -13.309   3.041   5.011
  621   1HG   ARG  84          HG2       ARG  84 -12.879   5.007   6.616
  622   2HG   ARG  84          HG3       ARG  84 -13.554   5.427   5.029
  623   1HD   ARG  84          HD2       ARG  84 -15.707   5.458   5.804
  624   2HD   ARG  84          HD3       ARG  84 -15.298   4.840   7.468
  625    HE   ARG  84           HE       ARG  84 -14.217   7.404   7.101
  626   1HH1  ARG  84          HH22      ARG  84 -17.323   5.622   6.859
  627   2HH1  ARG  84          HH21      ARG  84 -18.320   6.970   7.283
  628   1HH2  ARG  84          HH11      ARG  84 -15.597   9.248   7.729
  629   2HH2  ARG  84          HH12      ARG  84 -17.323   9.065   7.801
  630    HHA  HEM 201           HGM      HEM 201   9.488  -8.638   5.869
  631    HHB  HEM 201           HDM      HEM 201   8.906  -2.320   4.810
  632    HHC  HEM 201           HAM      HEM 201   2.824  -3.251   2.942
  633    HHD  HEM 201           HBM      HEM 201   3.667  -9.629   3.210
  634   1HMA  HEM 201          HM81      HEM 201  11.220  -2.956   4.929
  635   2HMA  HEM 201          HM82      HEM 201  10.813  -2.970   6.660
  636   3HMA  HEM 201          HM83      HEM 201  12.091  -4.015   6.032
  637   1HAA  HEM 201          HP71      HEM 201  11.384  -7.637   6.494
  638   2HAA  HEM 201          HP72      HEM 201  12.079  -5.999   6.875
  639   1HBA  HEM 201          HP73      HEM 201  11.414  -7.229   8.891
  640   2HBA  HEM 201          HP74      HEM 201   9.683  -7.252   8.280
  641   1HMB  HEM 201          HM11      HEM 201   6.516   0.442   3.624
  642   2HMB  HEM 201          HM12      HEM 201   7.207  -0.193   5.092
  643   3HMB  HEM 201          HM13      HEM 201   8.097  -0.368   3.564
  644    HAB  HEM 201          HT2A      HEM 201   3.743  -1.411   1.855
  645   1HBB  HEM 201          HV2C      HEM 201   4.361   0.819   3.689
  646   2HBB  HEM 201          HV2T      HEM 201   2.667   0.338   3.002
  647   1HMC  HEM 201          HM31      HEM 201   0.741  -4.340   3.416
  648   2HMC  HEM 201          HM32      HEM 201   0.867  -4.715   1.672
  649   3HMC  HEM 201          HM33      HEM 201   0.043  -5.849   2.766
  650    HAC  HEM 201          HT4A      HEM 201   1.170  -8.429   1.432
  651   1HBC  HEM 201          HV4C      HEM 201   0.822  -8.800   4.456
  652   2HBC  HEM 201          HV4T      HEM 201   0.238  -9.932   3.091
  653   1HMD  HEM 201          HM51      HEM 201   5.433 -12.204   4.822
  654   2HMD  HEM 201          HM52      HEM 201   4.631 -11.576   3.374
  655   3HMD  HEM 201          HM53      HEM 201   6.282 -12.178   3.266
  656   1HAD  HEM 201          HP61      HEM 201   8.207 -12.026   4.664
  657   2HAD  HEM 201          HP62      HEM 201   9.346 -10.756   5.298
  658   1HBD  HEM 201          HP63      HEM 201   7.922 -10.719   7.406
  659   2HBD  HEM 201          HP64      HEM 201   7.076 -12.198   6.727
  Start of MODEL   23
    1   1H    ALA   3          H1        ALA   3  -3.533  20.470   1.270
    2   2H    ALA   3          H2        ALA   3  -4.840  20.724   0.331
    3   3H    ALA   3          H3        ALA   3  -4.431  21.871   1.467
    4    HA   ALA   3           HA       ALA   3  -4.976  20.460   3.240
    5   1HB   ALA   3          HB1       ALA   3  -7.325  19.864   2.811
    6   2HB   ALA   3          HB2       ALA   3  -6.975  21.410   2.033
    7   3HB   ALA   3          HB3       ALA   3  -7.055  19.929   1.056
    8    H    VAL   4           H        VAL   4  -6.487  17.992   3.029
    9    HA   VAL   4           HA       VAL   4  -4.565  15.948   2.257
   10    HB   VAL   4           HB       VAL   4  -6.585  14.469   2.452
   11   1HG1  VAL   4          HG11      VAL   4  -6.071  16.240   4.849
   12   2HG1  VAL   4          HG12      VAL   4  -6.775  14.605   4.849
   13   3HG1  VAL   4          HG13      VAL   4  -5.107  14.836   4.323
   14   1HG2  VAL   4          HG21      VAL   4  -8.314  16.064   1.766
   15   2HG2  VAL   4          HG22      VAL   4  -8.675  15.319   3.311
   16   3HG2  VAL   4          HG23      VAL   4  -8.102  16.978   3.284
   17    H    LYS   5           H        LYS   5  -5.799  14.206   0.568
   18    HA   LYS   5           HA       LYS   5  -6.256  15.826  -1.928
   19   1HB   LYS   5          HB2       LYS   5  -4.038  14.937  -2.055
   20   2HB   LYS   5          HB3       LYS   5  -4.539  13.373  -1.412
   21   1HG   LYS   5          HG2       LYS   5  -4.085  13.294  -3.819
   22   2HG   LYS   5          HG3       LYS   5  -5.732  12.808  -3.425
   23   1HD   LYS   5          HD2       LYS   5  -6.553  15.080  -4.099
   24   2HD   LYS   5          HD3       LYS   5  -4.883  15.538  -4.508
   25   1HE   LYS   5          HE2       LYS   5  -4.819  13.717  -6.203
   26   2HE   LYS   5          HE3       LYS   5  -6.451  13.200  -5.719
   27   1HZ   LYS   5          HZ1       LYS   5  -7.294  15.288  -6.483
   28   2HZ   LYS   5          HZ2       LYS   5  -5.790  15.792  -6.939
   29   3HZ   LYS   5          HZ3       LYS   5  -6.498  14.512  -7.693
   30    H    TYR   6           H        TYR   6  -6.560  12.723  -0.257
   31    HA   TYR   6           HA       TYR   6  -7.792  10.980  -0.476
   32   1HB   TYR   6          HB2       TYR   6 -10.087  12.988  -0.796
   33   2HB   TYR   6          HB3       TYR   6 -10.224  11.263  -0.804
   34    HD1  TYR   6           HD1      TYR   6 -10.073   9.890   0.993
   35    HD2  TYR   6           HD2      TYR   6  -8.730  13.826   1.469
   36    HE1  TYR   6           HE1      TYR   6 -10.039   9.518   3.359
   37    HE2  TYR   6           HE2      TYR   6  -8.504  13.351   3.940
   38    HH   TYR   6           HH       TYR   6  -9.723  10.425   5.448
   39    H    TYR   7           H        TYR   7  -8.653   9.525  -1.467
   40    HA   TYR   7           HA       TYR   7  -8.703   9.382  -4.412
   41   1HB   TYR   7          HB2       TYR   7  -6.965   8.416  -2.163
   42   2HB   TYR   7          HB3       TYR   7  -7.320   7.234  -3.258
   43    HD1  TYR   7           HD1      TYR   7  -4.653   7.588  -2.849
   44    HD2  TYR   7           HD2      TYR   7  -7.024  10.171  -5.367
   45    HE1  TYR   7           HE1      TYR   7  -2.646   8.861  -3.473
   46    HE2  TYR   7           HE2      TYR   7  -4.989  11.347  -6.050
   47    HH   TYR   7           HH       TYR   7  -2.119  11.076  -3.979
   48    H    THR   8           H        THR   8 -10.244   8.069  -5.102
   49    HA   THR   8           HA       THR   8 -12.178   7.104  -3.130
   50    HB   THR   8           HB       THR   8 -13.465   6.641  -5.320
   51    HG1  THR   8           HG1      THR   8 -12.511   7.654  -7.146
   52   1HG2  THR   8          HG21      THR   8 -13.824   8.665  -3.971
   53   2HG2  THR   8          HG22      THR   8 -12.409   9.450  -4.720
   54   3HG2  THR   8          HG23      THR   8 -13.847   9.079  -5.699
   55    H    LEU   9           H        LEU   9 -12.936   4.889  -3.036
   56    HA   LEU   9           HA       LEU   9 -11.031   2.848  -3.358
   57   1HB   LEU   9          HB2       LEU   9 -12.592   2.345  -1.984
   58   2HB   LEU   9          HB3       LEU   9 -13.966   2.931  -2.924
   59    HG   LEU   9           HG       LEU   9 -12.343   0.459  -3.740
   60   1HD1  LEU   9          HD11      LEU   9 -13.891  -0.944  -2.443
   61   2HD1  LEU   9          HD12      LEU   9 -12.987   0.144  -1.380
   62   3HD1  LEU   9          HD13      LEU   9 -14.676   0.507  -1.785
   63   1HD2  LEU   9          HD21      LEU   9 -15.277   1.245  -4.143
   64   2HD2  LEU   9          HD22      LEU   9 -14.037   1.219  -5.412
   65   3HD2  LEU   9          HD23      LEU   9 -14.550  -0.287  -4.664
   66    H    GLU  10           H        GLU  10 -13.488   4.031  -5.626
   67    HA   GLU  10           HA       GLU  10 -13.198   2.513  -7.872
   68   1HB   GLU  10          HB2       GLU  10 -14.560   4.541  -7.726
   69   2HB   GLU  10          HB3       GLU  10 -13.136   5.562  -7.643
   70   1HG   GLU  10          HG2       GLU  10 -12.489   5.038  -9.909
   71   2HG   GLU  10          HG3       GLU  10 -13.726   3.776 -10.026
   72    H    GLU  11           H        GLU  11 -11.013   5.264  -7.090
   73    HA   GLU  11           HA       GLU  11  -9.140   4.610  -9.184
   74   1HB   GLU  11          HB2       GLU  11  -8.974   6.259  -6.585
   75   2HB   GLU  11          HB3       GLU  11  -7.589   6.048  -7.626
   76   1HG   GLU  11          HG2       GLU  11 -10.232   7.128  -8.714
   77   2HG   GLU  11          HG3       GLU  11  -9.081   8.179  -7.881
   78    H    ILE  12           H        ILE  12  -9.181   4.037  -5.669
   79    HA   ILE  12           HA       ILE  12  -6.608   3.113  -5.553
   80    HB   ILE  12           HB       ILE  12  -9.014   2.458  -3.807
   81   1HG1  ILE  12          HG12      ILE  12  -6.670   4.155  -2.938
   82   2HG1  ILE  12          HG13      ILE  12  -7.921   4.872  -3.963
   83   1HG2  ILE  12          HG21      ILE  12  -6.143   1.668  -3.325
   84   2HG2  ILE  12          HG22      ILE  12  -7.330   1.801  -2.016
   85   3HG2  ILE  12          HG23      ILE  12  -7.617   0.657  -3.317
   86   1HD1  ILE  12          HD11      ILE  12  -8.375   5.348  -1.640
   87   2HD1  ILE  12          HD12      ILE  12  -9.625   4.251  -2.232
   88   3HD1  ILE  12          HD13      ILE  12  -8.319   3.638  -1.202
   89    H    GLN  13           H        GLU  13  -9.535   1.226  -6.179
   90    HA   GLN  13           HA       GLU  13  -8.634  -1.440  -6.166
   91   1HB   GLN  13          HB2       GLU  13 -10.314   0.140  -8.178
   92   2HB   GLN  13          HB3       GLU  13 -10.105  -1.605  -8.330
   93   1HG   GLN  13          HG2       GLU  13 -11.440  -2.023  -6.399
   94   2HG   GLN  13          HG3       GLU  13 -11.551  -0.302  -6.019
   95    H    LYS  14           H        LYS  14  -8.270   1.125  -8.462
   96    HA   LYS  14           HA       LYS  14  -7.768  -0.516 -10.757
   97   1HB   LYS  14          HB2       LYS  14  -9.107   1.760 -10.163
   98   2HB   LYS  14          HB3       LYS  14  -7.603   2.508 -10.533
   99   1HG   LYS  14          HG2       LYS  14  -8.999   2.619 -12.432
  100   2HG   LYS  14          HG3       LYS  14  -7.840   1.334 -12.822
  101   1HD   LYS  14          HD2       LYS  14  -9.856   0.416 -13.502
  102   2HD   LYS  14          HD3       LYS  14  -9.685  -0.337 -11.927
  103   1HE   LYS  14          HE2       LYS  14 -11.357   2.183 -12.434
  104   2HE   LYS  14          HE3       LYS  14 -11.996   0.555 -12.660
  105   1HZ   LYS  14          HZ1       LYS  14 -11.730   0.128 -10.273
  106   2HZ   LYS  14          HZ2       LYS  14 -11.051   1.607 -10.068
  107   3HZ   LYS  14          HZ3       LYS  14 -12.584   1.455 -10.538
  108    H    HIS  15           H        HIS  15  -6.012   1.758  -8.685
  109    HA   HIS  15           HA       HIS  15  -3.401   1.367  -9.973
  110   1HB   HIS  15          HB2       HIS  15  -4.334   2.605  -7.369
  111   2HB   HIS  15          HB3       HIS  15  -2.628   2.398  -7.840
  112    HD1  HIS  15           HD1      HIS  15  -1.713   4.584  -8.698
  113    HD2  HIS  15           HD2      HIS  15  -5.750   3.969  -9.695
  114    HE1  HIS  15           HE1      HIS  15  -2.428   6.578 -10.144
  115    H    ASN  16           H        ASN  16  -3.667  -1.010 -10.017
  116    HA   ASN  16           HA       ASN  16  -2.186  -2.102  -7.651
  117   1HB   ASN  16          HB2       ASN  16  -3.416  -4.051  -7.460
  118   2HB   ASN  16          HB3       ASN  16  -4.620  -2.765  -7.510
  119   1HD2  ASN  16          HD21      ASN  16  -5.468  -5.290  -7.914
  120   2HD2  ASN  16          HD22      ASN  16  -5.855  -5.568  -9.602
  121    H    ASN  17           H        ASN  17  -1.254  -1.112 -10.334
  122    HA   ASN  17           HA       ASN  17  -0.378  -3.647 -11.562
  123   1HB   ASN  17          HB2       ASN  17  -2.880  -2.648 -12.157
  124   2HB   ASN  17          HB3       ASN  17  -1.919  -1.790 -13.341
  125   1HD2  ASN  17          HD21      ASN  17  -3.456  -4.725 -12.508
  126   2HD2  ASN  17          HD22      ASN  17  -2.827  -5.712 -13.822
  127    H    SER  18           H        SER  18   0.054  -2.645 -14.000
  128    HA   SER  18           HA       SER  18   2.783  -1.783 -13.691
  129   1HB   SER  18          HB2       SER  18   1.220  -2.225 -16.277
  130   2HB   SER  18          HB3       SER  18   2.953  -2.430 -15.982
  131    HG   SER  18           HG       SER  18   0.776  -4.037 -15.065
  132    H    LYS  19           H        LYS  19   1.776   0.176 -12.678
  133    HA   LYS  19           HA       LYS  19   1.131   2.529 -14.313
  134   1HB   LYS  19          HB2       LYS  19  -0.912   0.867 -12.710
  135   2HB   LYS  19          HB3       LYS  19  -1.189   2.513 -13.236
  136   1HG   LYS  19          HG2       LYS  19  -0.921   0.076 -15.011
  137   2HG   LYS  19          HG3       LYS  19  -2.381   0.971 -14.615
  138   1HD   LYS  19          HD2       LYS  19  -1.478   3.018 -15.685
  139   2HD   LYS  19          HD3       LYS  19  -0.020   2.126 -16.167
  140   1HE   LYS  19          HE2       LYS  19  -1.419   0.527 -17.464
  141   2HE   LYS  19          HE3       LYS  19  -2.867   1.459 -17.041
  142   1HZ   LYS  19          HZ1       LYS  19  -2.030   2.047 -19.200
  143   2HZ   LYS  19          HZ2       LYS  19  -1.905   3.341 -18.194
  144   3HZ   LYS  19          HZ3       LYS  19  -0.565   2.466 -18.582
  145    H    SER  20           H        SER  20   0.656   0.837 -11.168
  146    HA   SER  20           HA       SER  20   2.021   2.352  -9.390
  147   1HB   SER  20          HB2       SER  20   1.043   4.409  -9.935
  148   2HB   SER  20          HB3       SER  20  -0.536   3.667 -10.255
  149    HG   SER  20           HG       SER  20   0.682   3.782  -7.669
  150    H    THR  21           H        THR  21   1.637   1.361  -7.375
  151    HA   THR  21           HA       THR  21  -0.709  -0.494  -7.210
  152    HB   THR  21           HB       THR  21   2.145  -1.005  -6.331
  153    HG1  THR  21           HG1      THR  21   1.480  -1.232  -8.612
  154   1HG2  THR  21          HG21      THR  21   1.289  -3.253  -5.712
  155   2HG2  THR  21          HG22      THR  21   0.505  -2.009  -4.733
  156   3HG2  THR  21          HG23      THR  21  -0.349  -2.736  -6.121
  157    H    TRP  22           H        TRP  22  -2.072   0.323  -5.817
  158    HA   TRP  22           HA       TRP  22  -1.246   2.115  -3.624
  159   1HB   TRP  22          HB2       TRP  22  -3.643   1.807  -5.399
  160   2HB   TRP  22          HB3       TRP  22  -3.886   2.509  -3.851
  161    HD1  TRP  22           HD1      TRP  22  -0.621   3.343  -5.548
  162    HE1  TRP  22           HE1      TRP  22  -0.649   5.575  -6.705
  163    HE3  TRP  22           HE3      TRP  22  -5.462   4.599  -4.658
  164    HZ2  TRP  22           HZ2      TRP  22  -2.627   7.656  -7.333
  165    HZ3  TRP  22           HZ3      TRP  22  -6.468   6.597  -5.713
  166    HH2  TRP  22           HH2      TRP  22  -5.090   8.077  -7.141
  167    H    LEU  23           H        LEU  23  -2.028   1.659  -1.478
  168    HA   LEU  23           HA       LEU  23  -4.002  -0.476  -1.115
  169   1HB   LEU  23          HB2       LEU  23  -1.995  -0.921   0.905
  170   2HB   LEU  23          HB3       LEU  23  -2.711  -2.029  -0.183
  171    HG   LEU  23           HG       LEU  23  -0.882  -1.055  -1.908
  172   1HD1  LEU  23          HD11      LEU  23   1.077  -0.272  -0.842
  173   2HD1  LEU  23          HD12      LEU  23  -0.285   0.715  -0.296
  174   3HD1  LEU  23          HD13      LEU  23   0.383  -0.523   0.789
  175   1HD2  LEU  23          HD21      LEU  23  -0.870  -3.396  -1.178
  176   2HD2  LEU  23          HD22      LEU  23   0.764  -2.694  -1.116
  177   3HD2  LEU  23          HD23      LEU  23  -0.166  -2.912   0.383
  178    H    ILE  24           H        ILE  24  -4.990  -0.375   1.003
  179    HA   ILE  24           HA       ILE  24  -4.664   2.316   2.260
  180    HB   ILE  24           HB       ILE  24  -7.054   0.511   2.741
  181   1HG1  ILE  24          HG12      ILE  24  -6.789   2.357   0.344
  182   2HG1  ILE  24          HG13      ILE  24  -6.908   0.590   0.306
  183   1HG2  ILE  24          HG21      ILE  24  -6.821   3.531   2.626
  184   2HG2  ILE  24          HG22      ILE  24  -8.152   2.555   3.291
  185   3HG2  ILE  24          HG23      ILE  24  -6.587   2.567   4.099
  186   1HD1  ILE  24          HD11      ILE  24  -9.084   2.482   1.224
  187   2HD1  ILE  24          HD12      ILE  24  -9.075   1.433  -0.199
  188   3HD1  ILE  24          HD13      ILE  24  -9.135   0.714   1.420
  189    H    LEU  25           H        LEU  25  -3.872   2.537   4.178
  190    HA   LEU  25           HA       LEU  25  -3.723   0.212   6.064
  191   1HB   LEU  25          HB2       LEU  25  -1.556   1.941   5.011
  192   2HB   LEU  25          HB3       LEU  25  -1.486   1.485   6.713
  193    HG   LEU  25           HG       LEU  25  -1.394  -0.867   6.089
  194   1HD1  LEU  25          HD11      LEU  25  -2.533  -1.163   4.119
  195   2HD1  LEU  25          HD12      LEU  25  -1.688   0.165   3.262
  196   3HD1  LEU  25          HD13      LEU  25  -0.855  -1.362   3.613
  197   1HD2  LEU  25          HD21      LEU  25   0.647   0.847   4.582
  198   2HD2  LEU  25          HD22      LEU  25   0.734   0.394   6.297
  199   3HD2  LEU  25          HD23      LEU  25   0.875  -0.847   5.039
  200    H    HIS  26           H        HIS  26  -5.301   0.982   7.487
  201    HA   HIS  26           HA       HIS  26  -6.296   2.301   9.041
  202   1HB   HIS  26          HB2       HIS  26  -3.896   4.148   9.122
  203   2HB   HIS  26          HB3       HIS  26  -5.010   3.723  10.414
  204    HD1  HIS  26           HD1      HIS  26  -4.531   1.177  11.514
  205    HD2  HIS  26           HD2      HIS  26  -1.711   2.783   8.833
  206    HE1  HIS  26           HE1      HIS  26  -2.394  -0.185  11.795
  207    H    TYR  27           H        TYR  27  -6.993   2.770   6.439
  208    HA   TYR  27           HA       TYR  27  -8.162   4.165   5.111
  209   1HB   TYR  27          HB2       TYR  27  -8.292   6.017   7.498
  210   2HB   TYR  27          HB3       TYR  27  -9.277   6.106   6.047
  211    HD1  TYR  27           HD1      TYR  27 -10.341   5.996   8.845
  212    HD2  TYR  27           HD2      TYR  27  -9.626   2.847   5.968
  213    HE1  TYR  27           HE1      TYR  27 -12.337   4.766   9.655
  214    HE2  TYR  27           HE2      TYR  27 -11.655   1.706   6.716
  215    HH   TYR  27           HH       TYR  27 -13.656   1.991   7.902
  216    H    LYS  28           H        LYS  28  -5.231   5.569   6.424
  217    HA   LYS  28           HA       LYS  28  -4.952   7.466   4.228
  218   1HB   LYS  28          HB2       LYS  28  -3.053   6.086   6.153
  219   2HB   LYS  28          HB3       LYS  28  -2.430   6.964   4.750
  220   1HG   LYS  28          HG2       LYS  28  -4.085   8.136   7.018
  221   2HG   LYS  28          HG3       LYS  28  -2.343   8.303   6.730
  222   1HD   LYS  28          HD2       LYS  28  -3.157   9.167   4.337
  223   2HD   LYS  28          HD3       LYS  28  -4.660   9.487   5.247
  224   1HE   LYS  28          HE2       LYS  28  -3.630  11.113   6.621
  225   2HE   LYS  28          HE3       LYS  28  -1.995  10.557   6.221
  226   1HZ   LYS  28          HZ1       LYS  28  -2.526  12.601   5.078
  227   2HZ   LYS  28          HZ2       LYS  28  -2.280  11.399   3.996
  228   3HZ   LYS  28          HZ3       LYS  28  -3.771  11.939   4.268
  229    H    VAL  29           H        VAL  29  -3.619   7.131   2.341
  230    HA   VAL  29           HA       VAL  29  -3.753   4.356   1.265
  231    HB   VAL  29           HB       VAL  29  -4.260   6.973  -0.169
  232   1HG1  VAL  29          HG11      VAL  29  -4.131   4.120  -1.202
  233   2HG1  VAL  29          HG12      VAL  29  -4.824   5.503  -2.070
  234   3HG1  VAL  29          HG13      VAL  29  -3.095   5.479  -1.692
  235   1HG2  VAL  29          HG21      VAL  29  -6.171   5.925   1.216
  236   2HG2  VAL  29          HG22      VAL  29  -6.455   6.088  -0.537
  237   3HG2  VAL  29          HG23      VAL  29  -6.002   4.512   0.149
  238    H    TYR  30           H        TYR  30  -2.022   3.587   0.138
  239    HA   TYR  30           HA       TYR  30   0.564   5.041   0.483
  240   1HB   TYR  30          HB2       TYR  30  -0.523   2.282   1.167
  241   2HB   TYR  30          HB3       TYR  30   1.181   2.530   1.113
  242    HD1  TYR  30           HD1      TYR  30  -2.053   3.373   2.711
  243    HD2  TYR  30           HD2      TYR  30   2.215   3.705   3.115
  244    HE1  TYR  30           HE1      TYR  30  -2.330   4.439   4.903
  245    HE2  TYR  30           HE2      TYR  30   1.879   4.699   5.392
  246    HH   TYR  30           HH       TYR  30   0.403   5.338   6.987
  247    H    ASP  31           H        ASP  31   1.872   4.883  -1.428
  248    HA   ASP  31           HA       ASP  31   1.136   2.779  -3.415
  249   1HB   ASP  31          HB2       ASP  31   0.935   4.952  -4.564
  250   2HB   ASP  31          HB3       ASP  31   2.576   5.370  -4.041
  251    H    LEU  32           H        LEU  32   2.821   1.409  -3.888
  252    HA   LEU  32           HA       LEU  32   5.517   2.330  -3.248
  253   1HB   LEU  32          HB2       LEU  32   6.036   0.194  -1.900
  254   2HB   LEU  32          HB3       LEU  32   5.420   1.674  -1.227
  255    HG   LEU  32           HG       LEU  32   3.176  -0.093  -1.838
  256   1HD1  LEU  32          HD11      LEU  32   5.261  -1.113   0.165
  257   2HD1  LEU  32          HD12      LEU  32   3.670  -1.828  -0.177
  258   3HD1  LEU  32          HD13      LEU  32   4.941  -1.868  -1.418
  259   1HD2  LEU  32          HD21      LEU  32   2.750   0.375   0.584
  260   2HD2  LEU  32          HD22      LEU  32   4.416   0.965   0.698
  261   3HD2  LEU  32          HD23      LEU  32   3.222   1.869  -0.255
  262    H    THR  33           H        THR  33   4.633   2.158  -5.461
  263    HA   THR  33           HA       THR  33   5.051   0.070  -7.274
  264    HB   THR  33           HB       THR  33   6.361   2.019  -8.583
  265    HG1  THR  33           HG1      THR  33   5.076   3.552  -6.561
  266   1HG2  THR  33          HG21      THR  33   4.215   3.144  -9.060
  267   2HG2  THR  33          HG22      THR  33   4.117   1.366  -9.133
  268   3HG2  THR  33          HG23      THR  33   3.485   2.235  -7.712
  269    H    LYS  34           H        LYS  34   7.603   2.018  -5.615
  270    HA   LYS  34           HA       LYS  34   9.775   0.661  -7.013
  271   1HB   LYS  34          HB2       LYS  34  10.009   2.958  -6.021
  272   2HB   LYS  34          HB3       LYS  34   9.819   2.245  -4.411
  273   1HG   LYS  34          HG2       LYS  34  11.843   0.722  -5.076
  274   2HG   LYS  34          HG3       LYS  34  12.101   1.865  -6.398
  275   1HD   LYS  34          HD2       LYS  34  12.402   3.688  -4.732
  276   2HD   LYS  34          HD3       LYS  34  11.927   2.573  -3.437
  277   1HE   LYS  34          HE2       LYS  34  13.989   1.144  -4.598
  278   2HE   LYS  34          HE3       LYS  34  14.559   2.792  -4.866
  279   1HZ   LYS  34          HZ1       LYS  34  15.156   1.553  -2.734
  280   2HZ   LYS  34          HZ2       LYS  34  14.535   3.087  -2.467
  281   3HZ   LYS  34          HZ3       LYS  34  13.673   1.673  -2.269
  282    H    PHE  35           H        PHE  35   8.014   0.274  -3.937
  283    HA   PHE  35           HA       PHE  35  10.157  -1.339  -2.828
  284   1HB   PHE  35          HB2       PHE  35   8.214   0.223  -1.635
  285   2HB   PHE  35          HB3       PHE  35   7.457  -1.367  -1.591
  286    HD1  PHE  35           HD1      PHE  35   8.053  -2.756   0.335
  287    HD2  PHE  35           HD2      PHE  35  10.742   0.369  -0.944
  288    HE1  PHE  35           HE1      PHE  35   9.725  -3.439   2.045
  289    HE2  PHE  35           HE2      PHE  35  12.292  -0.211   0.873
  290    HZ   PHE  35           HZ       PHE  35  11.802  -2.136   2.364
  291    H    LEU  36           H        LEU  36   7.112  -1.906  -4.474
  292    HA   LEU  36           HA       LEU  36   6.718  -4.599  -4.591
  293   1HB   LEU  36          HB2       LEU  36   7.460  -2.823  -6.950
  294   2HB   LEU  36          HB3       LEU  36   6.659  -4.334  -7.098
  295    HG   LEU  36           HG       LEU  36   5.481  -1.800  -6.169
  296   1HD1  LEU  36          HD11      LEU  36   5.360  -2.648  -8.524
  297   2HD1  LEU  36          HD12      LEU  36   4.515  -4.087  -7.919
  298   3HD1  LEU  36          HD13      LEU  36   3.763  -2.488  -7.764
  299   1HD2  LEU  36          HD21      LEU  36   3.490  -2.992  -5.347
  300   2HD2  LEU  36          HD22      LEU  36   4.367  -4.534  -5.435
  301   3HD2  LEU  36          HD23      LEU  36   4.888  -3.244  -4.313
  302    H    GLU  37           H        GLU  37   9.687  -3.073  -5.985
  303    HA   GLU  37           HA       GLU  37  10.935  -5.620  -6.625
  304   1HB   GLU  37          HB2       GLU  37  11.986  -2.758  -6.359
  305   2HB   GLU  37          HB3       GLU  37  12.936  -4.113  -6.919
  306   1HG   GLU  37          HG2       GLU  37  10.349  -3.191  -8.275
  307   2HG   GLU  37          HG3       GLU  37  11.969  -2.663  -8.744
  308    H    GLU  38           H        GLU  38  11.336  -3.152  -4.132
  309    HA   GLU  38           HA       GLU  38  13.695  -4.295  -2.994
  310   1HB   GLU  38          HB2       GLU  38  12.704  -1.841  -3.191
  311   2HB   GLU  38          HB3       GLU  38  12.002  -2.205  -1.613
  312   1HG   GLU  38          HG2       GLU  38  14.190  -2.362  -0.628
  313   2HG   GLU  38          HG3       GLU  38  14.973  -2.486  -2.216
  314    H    HIS  39           HN       HIS  39  10.377  -4.909  -2.416
  315    HA   HIS  39           HA       HIS  39  10.348  -5.297   0.372
  316   1HB   HIS  39          HB2       HIS  39   8.428  -4.647  -0.963
  317   2HB   HIS  39          HB3       HIS  39   8.459  -6.176  -1.847
  318    HD1  HIS  39           HD1      HIS  39   6.245  -7.264  -1.029
  319    HD2  HIS  39           HD2      HIS  39   8.448  -5.280   1.953
  320    HE1  HIS  39           HE1      HIS  39   4.887  -7.422   1.110
  321    HA   PRO  40           HA       PRO  40  11.912  -9.615   0.500
  322   1HB   PRO  40          HB2       PRO  40  10.543  -9.290   3.183
  323   2HB   PRO  40          HB3       PRO  40  12.063 -10.152   2.807
  324   1HG   PRO  40          HG2       PRO  40  12.208  -7.659   3.837
  325   2HG   PRO  40          HG3       PRO  40  13.209  -8.058   2.412
  326   1HD   PRO  40          HD2       PRO  40  10.543  -6.619   2.459
  327   2HD   PRO  40          HD3       PRO  40  12.053  -6.173   1.607
  328    H    GLY  41           H        GLY  41   8.621  -8.537   1.487
  329   1HA   GLY  41          HA1       GLY  41   7.257 -11.032   1.246
  330   2HA   GLY  41          HA2       GLY  41   6.557  -9.447   1.112
  331    H    GLY  42           H        GLY  42   8.552  -8.869  -1.271
  332   1HA   GLY  42          HA1       GLY  42   8.573  -9.183  -3.547
  333   2HA   GLY  42          HA2       GLY  42   7.444 -10.535  -3.405
  334    H    GLU  43           H        GLU  43   6.974  -9.066  -5.440
  335    HA   GLU  43           HA       GLU  43   5.260  -6.750  -4.980
  336   1HB   GLU  43          HB2       GLU  43   6.763  -6.504  -6.702
  337   2HB   GLU  43          HB3       GLU  43   6.524  -8.066  -7.383
  338   1HG   GLU  43          HG2       GLU  43   4.161  -6.258  -7.484
  339   2HG   GLU  43          HG3       GLU  43   5.562  -5.931  -8.535
  340    H    GLU  44           H        GLU  44   4.692  -9.665  -7.002
  341    HA   GLU  44           HA       GLU  44   2.294  -9.981  -7.378
  342   1HB   GLU  44          HB2       GLU  44   3.666 -12.195  -5.772
  343   2HB   GLU  44          HB3       GLU  44   2.228 -12.394  -6.782
  344   1HG   GLU  44          HG2       GLU  44   3.564 -11.641  -8.764
  345   2HG   GLU  44          HG3       GLU  44   5.007 -11.590  -7.741
  346    H    VAL  45           H        VAL  45   3.088 -11.022  -4.035
  347    HA   VAL  45           HA       VAL  45   0.395 -11.133  -3.155
  348    HB   VAL  45           HB       VAL  45   2.326 -12.345  -2.175
  349   1HG1  VAL  45          HG11      VAL  45   3.839 -11.303  -0.598
  350   2HG1  VAL  45          HG12      VAL  45   3.999 -10.502  -2.171
  351   3HG1  VAL  45          HG13      VAL  45   3.115  -9.712  -0.852
  352   1HG2  VAL  45          HG21      VAL  45   1.709 -12.158   0.200
  353   2HG2  VAL  45          HG22      VAL  45   0.804 -10.676  -0.141
  354   3HG2  VAL  45          HG23      VAL  45   0.282 -12.209  -0.861
  355    H    LEU  46           H        LEU  46   2.676  -8.366  -3.196
  356    HA   LEU  46           HA       LEU  46   1.024  -6.683  -1.475
  357   1HB   LEU  46          HB2       LEU  46   3.126  -6.006  -3.583
  358   2HB   LEU  46          HB3       LEU  46   2.180  -4.801  -2.736
  359    HG   LEU  46           HG       LEU  46   3.966  -6.793  -1.299
  360   1HD1  LEU  46          HD11      LEU  46   5.324  -5.356  -2.768
  361   2HD1  LEU  46          HD12      LEU  46   4.417  -3.926  -2.234
  362   3HD1  LEU  46          HD13      LEU  46   5.494  -4.752  -1.109
  363   1HD2  LEU  46          HD21      LEU  46   3.793  -5.079   0.518
  364   2HD2  LEU  46          HD22      LEU  46   2.612  -4.182  -0.447
  365   3HD2  LEU  46          HD23      LEU  46   2.224  -5.806   0.148
  366    H    ARG  47           H        ARG  47   1.178  -7.515  -4.955
  367    HA   ARG  47           HA       ARG  47  -0.660  -5.374  -5.652
  368   1HB   ARG  47          HB2       ARG  47   0.484  -7.692  -7.194
  369   2HB   ARG  47          HB3       ARG  47  -0.789  -6.642  -7.852
  370   1HG   ARG  47          HG2       ARG  47   0.622  -4.640  -7.494
  371   2HG   ARG  47          HG3       ARG  47   1.885  -5.654  -6.753
  372   1HD   ARG  47          HD2       ARG  47   2.481  -5.266  -9.081
  373   2HD   ARG  47          HD3       ARG  47   1.995  -6.962  -8.829
  374    HE   ARG  47           HE       ARG  47  -0.213  -5.253  -9.669
  375   1HH1  ARG  47          HH22      ARG  47   2.629  -7.050 -10.856
  376   2HH1  ARG  47          HH21      ARG  47   1.911  -7.487 -12.370
  377   1HH2  ARG  47          HH11      ARG  47  -1.211  -5.889 -11.627
  378   2HH2  ARG  47          HH12      ARG  47  -0.318  -6.744 -12.853
  379    H    GLU  48           H        GLU  48  -0.923  -8.866  -5.157
  380    HA   GLU  48           HA       GLU  48  -3.630  -9.370  -5.598
  381   1HB   GLU  48          HB2       GLU  48  -1.814 -10.981  -4.932
  382   2HB   GLU  48          HB3       GLU  48  -1.819 -10.258  -3.317
  383   1HG   GLU  48          HG2       GLU  48  -3.050 -12.350  -3.271
  384   2HG   GLU  48          HG3       GLU  48  -4.215 -11.040  -3.051
  385    H    GLN  49           H        GLN  49  -2.018  -8.000  -2.707
  386    HA   GLN  49           HA       GLN  49  -4.502  -7.622  -1.244
  387   1HB   GLN  49          HB2       GLN  49  -2.240  -8.303  -0.332
  388   2HB   GLN  49          HB3       GLN  49  -1.672  -6.668  -0.695
  389   1HG   GLN  49          HG2       GLN  49  -2.159  -6.692   1.561
  390   2HG   GLN  49          HG3       GLN  49  -3.534  -5.830   0.839
  391   1HE2  GLN  49          HE21      GLN  49  -5.542  -6.477   1.574
  392   2HE2  GLN  49          HE22      GLN  49  -5.868  -8.046   2.294
  393    H    ALA  50           H        ALA  50  -2.463  -5.712  -3.386
  394    HA   ALA  50           HA       ALA  50  -3.203  -3.094  -2.558
  395   1HB   ALA  50          HB1       ALA  50  -2.278  -2.399  -4.730
  396   2HB   ALA  50          HB2       ALA  50  -1.234  -3.587  -3.954
  397   3HB   ALA  50          HB3       ALA  50  -2.327  -4.057  -5.292
  398    H    GLY  51           H        GLY  51  -4.262  -1.598  -4.268
  399   1HA   GLY  51          HA1       GLY  51  -6.396  -0.812  -4.422
  400   2HA   GLY  51          HA2       GLY  51  -6.512  -1.967  -5.748
  401    H    GLY  52           H        GLY  52  -6.114  -1.874  -2.190
  402   1HA   GLY  52          HA1       GLY  52  -8.766  -2.150  -1.403
  403   2HA   GLY  52          HA2       GLY  52  -8.008  -3.768  -1.439
  404    H    ASP  53           H        ASP  53  -8.537  -3.240   0.802
  405    HA   ASP  53           HA       ASP  53  -6.812  -1.685   2.539
  406   1HB   ASP  53          HB2       ASP  53  -8.967  -2.382   3.414
  407   2HB   ASP  53          HB3       ASP  53  -8.594  -4.093   3.096
  408    H    ALA  54           H        ALA  54  -4.945  -2.231   3.549
  409    HA   ALA  54           HA       ALA  54  -4.316  -5.099   3.816
  410   1HB   ALA  54          HB1       ALA  54  -2.065  -4.962   3.175
  411   2HB   ALA  54          HB2       ALA  54  -2.906  -4.070   1.881
  412   3HB   ALA  54          HB3       ALA  54  -2.061  -3.191   3.144
  413    H    THR  55           H        THR  55  -5.397  -2.795   5.551
  414    HA   THR  55           HA       THR  55  -3.340  -1.844   7.181
  415    HB   THR  55           HB       THR  55  -6.244  -2.308   8.074
  416    HG1  THR  55           HG1      THR  55  -6.244  -1.125   6.192
  417   1HG2  THR  55          HG21      THR  55  -4.699  -1.665   9.904
  418   2HG2  THR  55          HG22      THR  55  -4.051  -0.355   8.889
  419   3HG2  THR  55          HG23      THR  55  -5.737  -0.296   9.466
  420    H    GLU  56           H        GLU  56  -5.659  -4.552   7.992
  421    HA   GLU  56           HA       GLU  56  -4.376  -5.350  10.330
  422   1HB   GLU  56          HB2       GLU  56  -5.960  -7.045   8.325
  423   2HB   GLU  56          HB3       GLU  56  -5.580  -7.471   9.997
  424   1HG   GLU  56          HG2       GLU  56  -6.811  -5.382  10.736
  425   2HG   GLU  56          HG3       GLU  56  -7.354  -5.169   9.059
  426    H    ASN  57           H        ASN  57  -4.019  -6.716   7.012
  427    HA   ASN  57           HA       ASN  57  -2.078  -8.615   7.488
  428   1HB   ASN  57          HB2       ASN  57  -3.205  -8.161   5.323
  429   2HB   ASN  57          HB3       ASN  57  -2.170  -6.747   5.079
  430   1HD2  ASN  57          HD21      ASN  57  -2.438  -9.365   3.483
  431   2HD2  ASN  57          HD22      ASN  57  -0.804 -10.008   3.501
  432    H    PHE  58           H        PHE  58  -1.418  -5.151   6.734
  433    HA   PHE  58           HA       PHE  58   1.381  -5.278   6.916
  434   1HB   PHE  58          HB2       PHE  58   0.159  -3.350   6.022
  435   2HB   PHE  58          HB3       PHE  58  -0.490  -2.984   7.615
  436    HD1  PHE  58           HD1      PHE  58   0.832  -1.793   9.270
  437    HD2  PHE  58           HD2      PHE  58   2.707  -3.300   5.700
  438    HE1  PHE  58           HE1      PHE  58   2.926  -0.673   9.893
  439    HE2  PHE  58           HE2      PHE  58   4.777  -2.046   6.254
  440    HZ   PHE  58           HZ       PHE  58   4.910  -0.766   8.373
  441    H    GLU  59           H        GLU  59  -0.956  -4.373   9.539
  442    HA   GLU  59           HA       GLU  59   1.173  -3.946  11.408
  443   1HB   GLU  59          HB2       GLU  59  -1.325  -3.094  11.392
  444   2HB   GLU  59          HB3       GLU  59  -1.650  -4.584  12.274
  445   1HG   GLU  59          HG2       GLU  59  -1.249  -3.066  13.991
  446   2HG   GLU  59          HG3       GLU  59   0.345  -3.805  13.826
  447    H    ASP  60           H        ASP  60  -1.190  -6.510  11.093
  448    HA   ASP  60           HA       ASP  60  -0.651  -8.496  12.858
  449   1HB   ASP  60          HB2       ASP  60  -2.393  -8.649  11.104
  450   2HB   ASP  60          HB3       ASP  60  -1.145  -8.719   9.864
  451    H    HIS  61           H        HIS  61   1.045  -8.198   9.693
  452    HA   HIS  61           HA       HIS  61   2.872 -10.321  10.213
  453   1HB   HIS  61          HB2       HIS  61   2.874  -8.021   8.251
  454   2HB   HIS  61          HB3       HIS  61   4.128  -9.266   8.267
  455    HD1  HIS  61           HD1      HIS  61   0.598 -10.604   8.918
  456    HD2  HIS  61           HD2      HIS  61   3.385  -9.997   5.806
  457    HE1  HIS  61           HE1      HIS  61  -0.172 -12.009   6.959
  458    H    GLY  62           H        GLY  62   2.893  -7.347  11.835
  459   1HA   GLY  62          HA1       GLY  62   4.379  -6.537  13.344
  460   2HA   GLY  62          HA2       GLY  62   5.296  -8.042  13.171
  461    H    HIS  63           HN       HIS  63   4.538  -5.596  10.697
  462    HA   HIS  63           HA       HIS  63   7.152  -5.481   9.615
  463   1HB   HIS  63          HB2       HIS  63   4.700  -3.701   9.463
  464   2HB   HIS  63          HB3       HIS  63   6.212  -3.243   8.680
  465    HD1  HIS  63           HD1      HIS  63   3.400  -5.796   8.261
  466    HD2  HIS  63           HD2      HIS  63   7.027  -4.537   6.595
  467    HE1  HIS  63           HE1      HIS  63   3.481  -6.790   5.908
  468    H    SER  64           H        SER  64   8.951  -4.410  10.147
  469    HA   SER  64           HA       SER  64   9.266  -3.451  12.747
  470   1HB   SER  64          HB2       SER  64  11.084  -3.028  10.331
  471   2HB   SER  64          HB3       SER  64  11.567  -2.906  12.035
  472    HG   SER  64           HG       SER  64  10.713  -5.171  10.575
  473    H    THR  65           H        THR  65  10.280  -1.359  13.427
  474    HA   THR  65           HA       THR  65   8.672   0.877  13.234
  475    HB   THR  65           HB       THR  65  11.075   1.970  13.802
  476    HG1  THR  65           HG1      THR  65  12.523   0.392  13.239
  477   1HG2  THR  65          HG21      THR  65   9.818  -0.219  15.524
  478   2HG2  THR  65          HG22      THR  65  10.940   1.036  16.087
  479   3HG2  THR  65          HG23      THR  65   9.333   1.493  15.489
  480    H    ASP  66           H        ASP  66  11.835   0.551  11.584
  481    HA   ASP  66           HA       ASP  66  11.675   2.709   9.934
  482   1HB   ASP  66          HB2       ASP  66  13.038   0.031   9.374
  483   2HB   ASP  66          HB3       ASP  66  13.525   1.620   8.769
  484    H    ALA  67           H        ALA  67  10.152  -0.458   9.365
  485    HA   ALA  67           HA       ALA  67   9.571  -0.073   6.567
  486   1HB   ALA  67          HB1       ALA  67   8.035  -1.932   6.843
  487   2HB   ALA  67          HB2       ALA  67   9.577  -2.306   7.638
  488   3HB   ALA  67          HB3       ALA  67   8.158  -1.847   8.593
  489    H    ARG  68           H        ARG  68   8.017   0.465   9.711
  490    HA   ARG  68           HA       ARG  68   5.540   1.514   8.830
  491   1HB   ARG  68          HB2       ARG  68   6.624   0.665  11.180
  492   2HB   ARG  68          HB3       ARG  68   6.656   2.398  11.477
  493   1HG   ARG  68          HG2       ARG  68   4.404   2.526  11.676
  494   2HG   ARG  68          HG3       ARG  68   4.067   1.320  10.429
  495   1HD   ARG  68          HD2       ARG  68   4.705  -0.521  11.905
  496   2HD   ARG  68          HD3       ARG  68   5.136   0.581  13.197
  497    HE   ARG  68           HE       ARG  68   2.509  -0.445  12.560
  498   1HH1  ARG  68          HH22      ARG  68   4.170   2.354  13.867
  499   2HH1  ARG  68          HH21      ARG  68   2.804   2.950  14.772
  500   1HH2  ARG  68          HH11      ARG  68   0.644   0.359  13.620
  501   2HH2  ARG  68          HH12      ARG  68   0.730   1.775  14.612
  502    H    GLU  69           H        GLU  69   8.465   3.308  10.038
  503    HA   GLU  69           HA       GLU  69   7.916   5.906   9.257
  504   1HB   GLU  69          HB2       GLU  69  10.508   4.356   8.830
  505   2HB   GLU  69          HB3       GLU  69  10.352   6.091   8.890
  506   1HG   GLU  69          HG2       GLU  69   9.952   4.169  11.209
  507   2HG   GLU  69          HG3       GLU  69  11.201   5.377  10.975
  508    H    LEU  70           H        LEU  70   9.284   3.333   7.145
  509    HA   LEU  70           HA       LEU  70   9.222   4.768   4.806
  510   1HB   LEU  70          HB2       LEU  70   9.425   1.929   5.449
  511   2HB   LEU  70          HB3       LEU  70   8.361   2.097   4.124
  512    HG   LEU  70           HG       LEU  70  10.410   1.784   3.134
  513   1HD1  LEU  70          HD11      LEU  70   9.294   4.085   2.471
  514   2HD1  LEU  70          HD12      LEU  70  10.744   4.782   3.214
  515   3HD1  LEU  70          HD13      LEU  70  10.910   3.657   1.860
  516   1HD2  LEU  70          HD21      LEU  70  11.759   1.846   5.145
  517   2HD2  LEU  70          HD22      LEU  70  12.534   2.824   3.884
  518   3HD2  LEU  70          HD23      LEU  70  11.657   3.619   5.214
  519    H    SER  71           H        SER  71   6.444   2.943   6.228
  520    HA   SER  71           HA       SER  71   4.568   3.423   4.176
  521   1HB   SER  71          HB2       SER  71   3.800   3.509   7.101
  522   2HB   SER  71          HB3       SER  71   2.958   2.758   5.734
  523    HG   SER  71           HG       SER  71   3.913   1.143   6.927
  524    H    LYS  72           H        LYS  72   5.627   5.543   6.800
  525    HA   LYS  72           HA       LYS  72   3.626   7.569   6.394
  526   1HB   LYS  72          HB2       LYS  72   6.506   8.165   7.200
  527   2HB   LYS  72          HB3       LYS  72   5.043   9.080   7.564
  528   1HG   LYS  72          HG2       LYS  72   4.215   7.141   8.896
  529   2HG   LYS  72          HG3       LYS  72   5.743   6.302   8.600
  530   1HD   LYS  72          HD2       LYS  72   6.992   8.216   9.579
  531   2HD   LYS  72          HD3       LYS  72   5.460   8.986  10.040
  532   1HE   LYS  72          HE2       LYS  72   4.941   7.152  11.589
  533   2HE   LYS  72          HE3       LYS  72   6.246   6.167  10.908
  534   1HZ   LYS  72          HZ1       LYS  72   6.594   8.451  12.714
  535   2HZ   LYS  72          HZ2       LYS  72   7.267   6.903  12.697
  536   3HZ   LYS  72          HZ3       LYS  72   7.780   7.942  11.655
  537    H    THR  73           H        THR  73   6.908   7.222   5.065
  538    HA   THR  73           HA       THR  73   6.520   9.543   3.357
  539    HB   THR  73           HB       THR  73   8.778   8.817   4.113
  540    HG1  THR  73           HG1      THR  73   8.114   9.352   1.420
  541   1HG2  THR  73          HG21      THR  73   8.533   6.773   1.859
  542   2HG2  THR  73          HG22      THR  73  10.040   7.301   2.633
  543   3HG2  THR  73          HG23      THR  73   8.808   6.480   3.590
  544    H    PHE  74           H        PHE  74   5.564   6.217   2.974
  545    HA   PHE  74           HA       PHE  74   5.155   6.455   0.070
  546   1HB   PHE  74          HB2       PHE  74   4.059   4.475   2.064
  547   2HB   PHE  74          HB3       PHE  74   3.997   4.318   0.321
  548    HD1  PHE  74           HD1      PHE  74   5.004   2.332   2.344
  549    HD2  PHE  74           HD2      PHE  74   6.987   5.160  -0.222
  550    HE1  PHE  74           HE1      PHE  74   6.799   0.716   1.919
  551    HE2  PHE  74           HE2      PHE  74   8.948   3.651  -0.347
  552    HZ   PHE  74           HZ       PHE  74   8.910   1.470   0.921
  553    H    ILE  75           H        ILE  75   3.403   7.556   2.866
  554    HA   ILE  75           HA       ILE  75   0.777   7.304   1.902
  555    HB   ILE  75           HB       ILE  75   2.046   9.461   3.584
  556   1HG1  ILE  75          HG12      ILE  75  -0.204   7.485   4.156
  557   2HG1  ILE  75          HG13      ILE  75   1.484   7.056   4.255
  558   1HG2  ILE  75          HG21      ILE  75  -0.241  10.350   4.041
  559   2HG2  ILE  75          HG22      ILE  75   0.262  10.674   2.391
  560   3HG2  ILE  75          HG23      ILE  75  -0.884   9.352   2.721
  561   1HD1  ILE  75          HD11      ILE  75   0.052   9.164   5.932
  562   2HD1  ILE  75          HD12      ILE  75   0.774   7.650   6.490
  563   3HD1  ILE  75          HD13      ILE  75   1.815   8.966   5.915
  564    H    ILE  76           H        ILE  76  -0.328   7.997   0.244
  565    HA   ILE  76           HA       ILE  76   0.698  10.272  -1.451
  566    HB   ILE  76           HB       ILE  76  -0.431   8.937  -3.316
  567   1HG1  ILE  76          HG12      ILE  76  -0.043   6.556  -1.488
  568   2HG1  ILE  76          HG13      ILE  76  -1.592   7.409  -1.484
  569   1HG2  ILE  76          HG21      ILE  76   1.983   9.129  -3.123
  570   2HG2  ILE  76          HG22      ILE  76   2.037   7.749  -2.017
  571   3HG2  ILE  76          HG23      ILE  76   1.521   7.522  -3.695
  572   1HD1  ILE  76          HD11      ILE  76  -0.551   6.565  -4.142
  573   2HD1  ILE  76          HD12      ILE  76  -1.210   5.327  -3.042
  574   3HD1  ILE  76          HD13      ILE  76  -2.217   6.680  -3.536
  575    H    GLY  77           H        GLY  77  -1.937   9.233   0.503
  576   1HA   GLY  77          HA1       GLY  77  -4.119  10.887  -0.721
  577   2HA   GLY  77          HA2       GLY  77  -3.956   9.228  -1.264
  578    H    GLU  78           H        GLU  78  -6.185   9.879  -0.088
  579    HA   GLU  78           HA       GLU  78  -6.066   8.107   2.237
  580   1HB   GLU  78          HB2       GLU  78  -7.739  10.684   1.968
  581   2HB   GLU  78          HB3       GLU  78  -7.601   9.628   3.399
  582   1HG   GLU  78          HG2       GLU  78  -6.289  11.345   4.090
  583   2HG   GLU  78          HG3       GLU  78  -5.107  10.247   3.362
  584    H    LEU  79           H        LEU  79  -8.059   7.156   2.740
  585    HA   LEU  79           HA       LEU  79  -9.546   6.126   0.465
  586   1HB   LEU  79          HB2       LEU  79  -9.094   4.669   2.358
  587   2HB   LEU  79          HB3       LEU  79  -9.756   5.844   3.503
  588    HG   LEU  79           HG       LEU  79 -12.028   5.499   2.704
  589   1HD1  LEU  79          HD11      LEU  79 -12.021   3.272   1.112
  590   2HD1  LEU  79          HD12      LEU  79 -12.269   4.939   0.564
  591   3HD1  LEU  79          HD13      LEU  79 -10.667   4.160   0.430
  592   1HD2  LEU  79          HD21      LEU  79 -11.298   4.099   4.462
  593   2HD2  LEU  79          HD22      LEU  79 -12.431   3.277   3.385
  594   3HD2  LEU  79          HD23      LEU  79 -10.696   2.872   3.307
  595    H    HIS  80           H        HIS  80 -11.033   7.324  -0.612
  596    HA   HIS  80           HA       HIS  80 -12.005   9.567   0.425
  597   1HB   HIS  80          HB2       HIS  80 -12.096   8.998  -1.948
  598   2HB   HIS  80          HB3       HIS  80 -13.475   7.916  -1.606
  599    HD1  HIS  80           HD1      HIS  80 -15.840   9.284  -1.254
  600    HD2  HIS  80           HD2      HIS  80 -12.313  11.511  -1.034
  601    HE1  HIS  80           HE1      HIS  80 -16.517  11.646  -0.567
  602    HA   PRO  81           HA       PRO  81 -14.451   7.873   3.403
  603   1HB   PRO  81          HB2       PRO  81 -15.695  10.694   3.800
  604   2HB   PRO  81          HB3       PRO  81 -15.049   9.562   4.971
  605   1HG   PRO  81          HG2       PRO  81 -13.583  11.784   4.027
  606   2HG   PRO  81          HG3       PRO  81 -12.714  10.204   4.107
  607   1HD   PRO  81          HD2       PRO  81 -14.336  11.345   1.809
  608   2HD   PRO  81          HD3       PRO  81 -12.639  10.886   1.809
  609    H    ASP  82           H        ASP  82 -16.029   8.537   0.981
  610    HA   ASP  82           HA       ASP  82 -18.748   8.348   2.046
  611   1HB   ASP  82          HB2       ASP  82 -18.331   9.320  -0.268
  612   2HB   ASP  82          HB3       ASP  82 -17.765   7.719  -0.798
  613    H    ASP  83           H        ASP  83 -15.879   6.454   1.564
  614    HA   ASP  83           HA       ASP  83 -17.017   3.851   1.394
  615   1HB   ASP  83          HB2       ASP  83 -14.935   5.102   0.381
  616   2HB   ASP  83          HB3       ASP  83 -14.172   4.938   1.893
  617    H    ARG  84           H        ARG  84 -14.556   3.436   3.135
  618    HA   ARG  84           HA       ARG  84 -13.690   3.456   5.295
  619   1HB   ARG  84          HB2       ARG  84 -16.415   4.212   6.315
  620   2HB   ARG  84          HB3       ARG  84 -14.967   4.058   7.276
  621   1HG   ARG  84          HG2       ARG  84 -14.043   6.011   6.629
  622   2HG   ARG  84          HG3       ARG  84 -14.657   5.939   4.962
  623   1HD   ARG  84          HD2       ARG  84 -16.824   6.681   5.621
  624   2HD   ARG  84          HD3       ARG  84 -16.623   6.181   7.293
  625    HE   ARG  84           HE       ARG  84 -14.830   8.045   7.391
  626   1HH1  ARG  84          HH22      ARG  84 -17.701   8.523   5.457
  627   2HH1  ARG  84          HH21      ARG  84 -18.407   9.777   6.432
  628   1HH2  ARG  84          HH11      ARG  84 -15.509   9.959   8.524
  629   2HH2  ARG  84          HH12      ARG  84 -16.961  10.781   8.045
  630    HHA  HEM 201           HGM      HEM 201   8.999  -9.207   5.389
  631    HHB  HEM 201           HDM      HEM 201   9.151  -2.819   4.500
  632    HHC  HEM 201           HAM      HEM 201   2.908  -2.933   3.018
  633    HHD  HEM 201           HBM      HEM 201   3.023  -9.393   2.987
  634   1HMA  HEM 201          HM81      HEM 201  12.120  -4.860   5.670
  635   2HMA  HEM 201          HM82      HEM 201  11.383  -3.723   4.544
  636   3HMA  HEM 201          HM83      HEM 201  10.947  -3.676   6.265
  637   1HAA  HEM 201          HP71      HEM 201  10.965  -8.457   6.049
  638   2HAA  HEM 201          HP72      HEM 201  11.986  -6.961   6.223
  639   1HBA  HEM 201          HP73      HEM 201  11.312  -7.972   8.381
  640   2HBA  HEM 201          HP74      HEM 201   9.561  -7.620   7.951
  641   1HMB  HEM 201          HM11      HEM 201   6.936   0.239   4.110
  642   2HMB  HEM 201          HM12      HEM 201   8.147  -0.755   4.881
  643   3HMB  HEM 201          HM13      HEM 201   8.260  -0.482   3.143
  644    HAB  HEM 201          HT2A      HEM 201   3.894  -1.097   2.026
  645   1HBB  HEM 201          HV2C      HEM 201   4.719   0.680   4.254
  646   2HBB  HEM 201          HV2T      HEM 201   2.989   0.450   3.521
  647   1HMC  HEM 201          HM31      HEM 201   0.942  -3.615   2.322
  648   2HMC  HEM 201          HM32      HEM 201   0.000  -5.079   2.021
  649   3HMC  HEM 201          HM33      HEM 201   0.227  -4.486   3.690
  650    HAC  HEM 201          HT4A      HEM 201  -0.122  -7.543   2.701
  651   1HBC  HEM 201          HV4C      HEM 201   1.909  -8.331   0.574
  652   2HBC  HEM 201          HV4T      HEM 201   0.048  -8.432   0.496
  653   1HMD  HEM 201          HM51      HEM 201   5.042 -12.463   3.986
  654   2HMD  HEM 201          HM52      HEM 201   3.593 -11.475   3.862
  655   3HMD  HEM 201          HM53      HEM 201   4.603 -11.723   2.429
  656   1HAD  HEM 201          HP61      HEM 201   7.282 -12.345   4.005
  657   2HAD  HEM 201          HP62      HEM 201   8.641 -11.203   4.395
  658   1HBD  HEM 201          HP63      HEM 201   7.732 -11.083   6.750
  659   2HBD  HEM 201          HP64      HEM 201   6.592 -12.442   6.277
  Start of MODEL   24
    1   1H    ALA   3          H1        ALA   3  -4.468  20.667   0.237
    2   2H    ALA   3          H2        ALA   3  -5.974  20.870  -0.350
    3   3H    ALA   3          H3        ALA   3  -5.450  21.864   0.879
    4    HA   ALA   3           HA       ALA   3  -5.428  20.133   2.426
    5   1HB   ALA   3          HB1       ALA   3  -7.706  19.209   2.353
    6   2HB   ALA   3          HB2       ALA   3  -7.752  20.895   1.824
    7   3HB   ALA   3          HB3       ALA   3  -7.839  19.588   0.622
    8    H    VAL   4           H        VAL   4  -6.552  17.479   2.122
    9    HA   VAL   4           HA       VAL   4  -4.450  16.085   0.635
   10    HB   VAL   4           HB       VAL   4  -5.613  14.058   1.335
   11   1HG1  VAL   4          HG11      VAL   4  -5.399  15.996   3.660
   12   2HG1  VAL   4          HG12      VAL   4  -5.331  14.224   3.707
   13   3HG1  VAL   4          HG13      VAL   4  -4.044  15.132   2.895
   14   1HG2  VAL   4          HG21      VAL   4  -7.972  14.824   1.181
   15   2HG2  VAL   4          HG22      VAL   4  -7.585  14.099   2.750
   16   3HG2  VAL   4          HG23      VAL   4  -7.728  15.857   2.606
   17    H    LYS   5           H        LYS   5  -5.929  14.073  -0.632
   18    HA   LYS   5           HA       LYS   5  -7.234  15.517  -2.915
   19   1HB   LYS   5          HB2       LYS   5  -5.818  12.827  -2.804
   20   2HB   LYS   5          HB3       LYS   5  -6.642  13.528  -4.204
   21   1HG   LYS   5          HG2       LYS   5  -5.011  15.409  -4.229
   22   2HG   LYS   5          HG3       LYS   5  -4.169  14.688  -2.836
   23   1HD   LYS   5          HD2       LYS   5  -3.902  12.579  -4.128
   24   2HD   LYS   5          HD3       LYS   5  -4.630  13.360  -5.548
   25   1HE   LYS   5          HE2       LYS   5  -2.727  15.015  -5.540
   26   2HE   LYS   5          HE3       LYS   5  -2.027  14.154  -4.155
   27   1HZ   LYS   5          HZ1       LYS   5  -1.960  12.164  -5.569
   28   2HZ   LYS   5          HZ2       LYS   5  -2.438  13.056  -6.859
   29   3HZ   LYS   5          HZ3       LYS   5  -0.999  13.382  -6.130
   30    H    TYR   6           H        TYR   6  -7.157  12.775  -0.684
   31    HA   TYR   6           HA       TYR   6  -8.338  10.943  -0.465
   32   1HB   TYR   6          HB2       TYR   6 -10.765  12.824  -0.462
   33   2HB   TYR   6          HB3       TYR   6 -10.566  11.054  -0.318
   34    HD1  TYR   6           HD1      TYR   6  -9.934   9.802   1.333
   35    HD2  TYR   6           HD2      TYR   6 -10.263  14.054   1.781
   36    HE1  TYR   6           HE1      TYR   6  -9.607   9.506   3.642
   37    HE2  TYR   6           HE2      TYR   6 -10.040  13.783   4.247
   38    HH   TYR   6           HH       TYR   6  -8.681  10.964   5.500
   39    H    TYR   7           H        TYR   7  -7.519  10.274  -2.181
   40    HA   TYR   7           HA       TYR   7  -8.476   9.504  -4.629
   41   1HB   TYR   7          HB2       TYR   7  -6.992   8.507  -2.219
   42   2HB   TYR   7          HB3       TYR   7  -7.442   7.280  -3.176
   43    HD1  TYR   7           HD1      TYR   7  -4.738   7.763  -2.375
   44    HD2  TYR   7           HD2      TYR   7  -6.680   9.750  -5.676
   45    HE1  TYR   7           HE1      TYR   7  -2.614   8.754  -3.040
   46    HE2  TYR   7           HE2      TYR   7  -4.589  10.883  -6.212
   47    HH   TYR   7           HH       TYR   7  -1.814  10.617  -3.999
   48    H    THR   8           H        THR   8 -10.106   8.483  -5.339
   49    HA   THR   8           HA       THR   8 -12.243   7.502  -3.618
   50    HB   THR   8           HB       THR   8 -13.268   7.066  -5.908
   51    HG1  THR   8           HG1      THR   8 -12.045   8.133  -7.613
   52   1HG2  THR   8          HG21      THR   8 -13.585   9.470  -6.366
   53   2HG2  THR   8          HG22      THR   8 -13.620   9.169  -4.615
   54   3HG2  THR   8          HG23      THR   8 -12.171   9.870  -5.367
   55    H    LEU   9           H        LEU   9 -12.914   5.330  -3.457
   56    HA   LEU   9           HA       LEU   9 -11.073   3.236  -3.653
   57   1HB   LEU   9          HB2       LEU   9 -12.765   2.807  -2.363
   58   2HB   LEU   9          HB3       LEU   9 -14.031   3.410  -3.417
   59    HG   LEU   9           HG       LEU   9 -12.417   0.925  -4.165
   60   1HD1  LEU   9          HD11      LEU   9 -14.702   0.955  -2.169
   61   2HD1  LEU   9          HD12      LEU   9 -14.033  -0.500  -2.947
   62   3HD1  LEU   9          HD13      LEU   9 -13.015   0.471  -1.881
   63   1HD2  LEU   9          HD21      LEU   9 -14.563   0.196  -5.175
   64   2HD2  LEU   9          HD22      LEU   9 -15.366   1.653  -4.560
   65   3HD2  LEU   9          HD23      LEU   9 -14.123   1.777  -5.818
   66    H    GLU  10           H        GLU  10 -13.315   4.510  -6.072
   67    HA   GLU  10           HA       GLU  10 -13.005   2.894  -8.245
   68   1HB   GLU  10          HB2       GLU  10 -14.278   5.051  -8.117
   69   2HB   GLU  10          HB3       GLU  10 -12.767   5.945  -8.255
   70   1HG   GLU  10          HG2       GLU  10 -13.904   5.853 -10.405
   71   2HG   GLU  10          HG3       GLU  10 -12.381   4.966 -10.504
   72    H    GLU  11           H        GLU  11 -10.727   5.531  -7.350
   73    HA   GLU  11           HA       GLU  11  -8.723   4.721  -9.295
   74   1HB   GLU  11          HB2       GLU  11  -8.786   6.659  -6.924
   75   2HB   GLU  11          HB3       GLU  11  -7.249   6.137  -7.550
   76   1HG   GLU  11          HG2       GLU  11  -9.370   7.429  -9.295
   77   2HG   GLU  11          HG3       GLU  11  -8.044   8.284  -8.480
   78    H    ILE  12           H        ILE  12  -9.060   4.275  -5.758
   79    HA   ILE  12           HA       ILE  12  -6.504   3.269  -5.416
   80    HB   ILE  12           HB       ILE  12  -9.066   2.761  -3.893
   81   1HG1  ILE  12          HG12      ILE  12  -6.677   4.332  -2.903
   82   2HG1  ILE  12          HG13      ILE  12  -7.784   5.092  -4.048
   83   1HG2  ILE  12          HG21      ILE  12  -7.689   1.958  -1.981
   84   2HG2  ILE  12          HG22      ILE  12  -7.750   0.866  -3.345
   85   3HG2  ILE  12          HG23      ILE  12  -6.294   1.866  -3.081
   86   1HD1  ILE  12          HD11      ILE  12  -8.729   3.895  -1.413
   87   2HD1  ILE  12          HD12      ILE  12  -8.300   5.598  -1.666
   88   3HD1  ILE  12          HD13      ILE  12  -9.653   4.874  -2.547
   89    H    GLN  13           H        GLU  13  -9.454   1.472  -6.209
   90    HA   GLN  13           HA       GLU  13  -8.301  -1.141  -5.970
   91   1HB   GLN  13          HB2       GLU  13 -10.627   0.096  -7.557
   92   2HB   GLN  13          HB3       GLU  13 -10.247  -1.605  -7.753
   93   1HG   GLN  13          HG2       GLU  13 -10.534  -0.689  -4.911
   94   2HG   GLN  13          HG3       GLU  13 -11.986  -0.562  -5.913
   95    H    LYS  14           H        LYS  14  -8.733   1.153  -8.579
   96    HA   LYS  14           HA       LYS  14  -7.807  -0.325 -10.806
   97   1HB   LYS  14          HB2       LYS  14  -8.930   2.116 -10.385
   98   2HB   LYS  14          HB3       LYS  14  -7.305   2.637 -10.460
   99   1HG   LYS  14          HG2       LYS  14  -8.267   2.918 -12.606
  100   2HG   LYS  14          HG3       LYS  14  -7.226   1.490 -12.766
  101   1HD   LYS  14          HD2       LYS  14  -9.249   1.020 -13.902
  102   2HD   LYS  14          HD3       LYS  14  -9.312   0.035 -12.453
  103   1HE   LYS  14          HE2       LYS  14 -10.705   2.768 -12.706
  104   2HE   LYS  14          HE3       LYS  14 -11.445   1.259 -13.236
  105   1HZ   LYS  14          HZ1       LYS  14 -11.258   0.456 -10.929
  106   2HZ   LYS  14          HZ2       LYS  14 -10.800   1.975 -10.455
  107   3HZ   LYS  14          HZ3       LYS  14 -12.229   1.765 -11.146
  108    H    HIS  15           H        HIS  15  -6.172   1.712  -8.397
  109    HA   HIS  15           HA       HIS  15  -3.490   1.267  -9.444
  110   1HB   HIS  15          HB2       HIS  15  -4.643   2.649  -7.011
  111   2HB   HIS  15          HB3       HIS  15  -2.934   2.232  -7.192
  112    HD1  HIS  15           HD1      HIS  15  -1.452   3.550  -8.737
  113    HD2  HIS  15           HD2      HIS  15  -5.502   4.636  -8.855
  114    HE1  HIS  15           HE1      HIS  15  -1.593   5.743 -10.100
  115    H    ASN  16           H        ASN  16  -4.109  -1.042  -9.545
  116    HA   ASN  16           HA       ASN  16  -2.645  -2.352  -7.282
  117   1HB   ASN  16          HB2       ASN  16  -3.971  -4.334  -7.480
  118   2HB   ASN  16          HB3       ASN  16  -5.041  -2.958  -7.197
  119   1HD2  ASN  16          HD21      ASN  16  -6.551  -4.778  -8.038
  120   2HD2  ASN  16          HD22      ASN  16  -6.828  -4.794  -9.770
  121    H    ASN  17           H        ASN  17  -2.095  -1.229 -10.241
  122    HA   ASN  17           HA       ASN  17  -0.198  -3.410 -10.801
  123   1HB   ASN  17          HB2       ASN  17  -2.447  -3.953 -11.911
  124   2HB   ASN  17          HB3       ASN  17  -2.195  -2.542 -12.933
  125   1HD2  ASN  17          HD21      ASN  17  -0.891  -5.734 -11.962
  126   2HD2  ASN  17          HD22      ASN  17   0.055  -5.990 -13.421
  127    H    SER  18           H        SER  18  -0.234  -1.951 -13.644
  128    HA   SER  18           HA       SER  18   2.221  -0.573 -13.154
  129   1HB   SER  18          HB2       SER  18   1.793  -0.128 -15.707
  130   2HB   SER  18          HB3       SER  18   2.100  -1.785 -15.157
  131    HG   SER  18           HG       SER  18   0.039  -2.323 -15.461
  132    H    LYS  19           H        LYS  19  -1.107   0.320 -13.491
  133    HA   LYS  19           HA       LYS  19  -1.364   3.036 -13.504
  134   1HB   LYS  19          HB2       LYS  19  -2.429   0.732 -11.945
  135   2HB   LYS  19          HB3       LYS  19  -2.414   2.204 -11.021
  136   1HG   LYS  19          HG2       LYS  19  -3.721   1.823 -13.708
  137   2HG   LYS  19          HG3       LYS  19  -4.535   1.818 -12.155
  138   1HD   LYS  19          HD2       LYS  19  -3.128   4.230 -12.054
  139   2HD   LYS  19          HD3       LYS  19  -3.649   4.172 -13.738
  140   1HE   LYS  19          HE2       LYS  19  -5.987   4.026 -13.083
  141   2HE   LYS  19          HE3       LYS  19  -5.556   3.689 -11.399
  142   1HZ   LYS  19          HZ1       LYS  19  -5.065   6.297 -12.670
  143   2HZ   LYS  19          HZ2       LYS  19  -6.316   5.921 -11.681
  144   3HZ   LYS  19          HZ3       LYS  19  -4.825   5.891 -11.084
  145    H    SER  20           H        SER  20   0.244   1.101 -11.045
  146    HA   SER  20           HA       SER  20   2.113   1.781  -9.822
  147   1HB   SER  20          HB2       SER  20   0.605   4.354  -9.142
  148   2HB   SER  20          HB3       SER  20   2.134   3.824  -8.456
  149    HG   SER  20           HG       SER  20   1.620   4.456 -11.156
  150    H    THR  21           H        THR  21   2.045   0.691  -7.858
  151    HA   THR  21           HA       THR  21  -0.620  -0.480  -7.335
  152    HB   THR  21           HB       THR  21   2.194  -1.286  -6.551
  153    HG1  THR  21           HG1      THR  21   1.207  -1.375  -8.832
  154   1HG2  THR  21          HG21      THR  21   0.588  -2.186  -4.882
  155   2HG2  THR  21          HG22      THR  21  -0.431  -2.789  -6.218
  156   3HG2  THR  21          HG23      THR  21   1.177  -3.472  -5.950
  157    H    TRP  22           H        TRP  22  -1.860   0.192  -5.704
  158    HA   TRP  22           HA       TRP  22  -0.751   1.852  -3.491
  159   1HB   TRP  22          HB2       TRP  22  -3.369   1.705  -4.969
  160   2HB   TRP  22          HB3       TRP  22  -3.275   2.460  -3.432
  161    HD1  TRP  22           HD1      TRP  22  -0.143   3.075  -5.423
  162    HE1  TRP  22           HE1      TRP  22  -0.077   5.263  -6.512
  163    HE3  TRP  22           HE3      TRP  22  -4.965   4.415  -4.497
  164    HZ2  TRP  22           HZ2      TRP  22  -2.115   7.352  -7.312
  165    HZ3  TRP  22           HZ3      TRP  22  -5.960   6.383  -5.628
  166    HH2  TRP  22           HH2      TRP  22  -4.589   7.786  -7.126
  167    H    LEU  23           H        LEU  23  -1.562   1.488  -1.349
  168    HA   LEU  23           HA       LEU  23  -3.635  -0.552  -1.036
  169   1HB   LEU  23          HB2       LEU  23  -1.930  -1.183   1.110
  170   2HB   LEU  23          HB3       LEU  23  -2.417  -2.177  -0.208
  171    HG   LEU  23           HG       LEU  23  -0.328  -1.231  -1.476
  172   1HD1  LEU  23          HD11      LEU  23   0.271  -0.730   1.475
  173   2HD1  LEU  23          HD12      LEU  23   1.436  -0.708   0.166
  174   3HD1  LEU  23          HD13      LEU  23   0.139   0.478   0.164
  175   1HD2  LEU  23          HD21      LEU  23  -0.652  -3.582  -0.811
  176   2HD2  LEU  23          HD22      LEU  23   0.988  -3.060  -0.401
  177   3HD2  LEU  23          HD23      LEU  23  -0.250  -3.165   0.870
  178    H    ILE  24           H        ILE  24  -4.550  -0.564   1.133
  179    HA   ILE  24           HA       ILE  24  -4.365   2.127   2.412
  180    HB   ILE  24           HB       ILE  24  -6.522  -0.015   2.463
  181   1HG1  ILE  24          HG12      ILE  24  -6.471   0.803   0.230
  182   2HG1  ILE  24          HG13      ILE  24  -7.915   1.314   1.086
  183   1HG2  ILE  24          HG21      ILE  24  -7.977   1.841   3.403
  184   2HG2  ILE  24          HG22      ILE  24  -6.696   1.272   4.478
  185   3HG2  ILE  24          HG23      ILE  24  -6.491   2.800   3.601
  186   1HD1  ILE  24          HD11      ILE  24  -7.023   3.175  -0.209
  187   2HD1  ILE  24          HD12      ILE  24  -6.757   3.568   1.491
  188   3HD1  ILE  24          HD13      ILE  24  -5.414   2.965   0.496
  189    H    LEU  25           H        LEU  25  -3.333   2.254   4.238
  190    HA   LEU  25           HA       LEU  25  -3.036  -0.276   5.843
  191   1HB   LEU  25          HB2       LEU  25  -1.106   1.679   4.923
  192   2HB   LEU  25          HB3       LEU  25  -0.836   1.157   6.569
  193    HG   LEU  25           HG       LEU  25  -0.699  -1.122   5.861
  194   1HD1  LEU  25          HD11      LEU  25  -0.572  -1.708   3.420
  195   2HD1  LEU  25          HD12      LEU  25  -2.162  -1.348   4.077
  196   3HD1  LEU  25          HD13      LEU  25  -1.323  -0.117   3.092
  197   1HD2  LEU  25          HD21      LEU  25   1.357   0.325   5.766
  198   2HD2  LEU  25          HD22      LEU  25   1.421  -0.968   4.552
  199   3HD2  LEU  25          HD23      LEU  25   1.005   0.684   4.064
  200    H    HIS  26           H        HIS  26  -5.062   1.826   6.009
  201    HA   HIS  26           HA       HIS  26  -6.300   1.889   8.089
  202   1HB   HIS  26          HB2       HIS  26  -5.564   3.183   9.981
  203   2HB   HIS  26          HB3       HIS  26  -4.521   1.798   9.726
  204    HD1  HIS  26           HD1      HIS  26  -2.972   3.474  11.412
  205    HD2  HIS  26           HD2      HIS  26  -3.225   4.131   7.287
  206    HE1  HIS  26           HE1      HIS  26  -0.915   4.824  10.761
  207    H    TYR  27           H        TYR  27  -7.136   2.754   6.041
  208    HA   TYR  27           HA       TYR  27  -8.277   4.328   4.951
  209   1HB   TYR  27          HB2       TYR  27  -8.363   5.273   7.572
  210   2HB   TYR  27          HB3       TYR  27  -7.706   6.623   6.651
  211    HD1  TYR  27           HD1      TYR  27  -9.136   8.138   5.628
  212    HD2  TYR  27           HD2      TYR  27 -10.602   4.242   6.769
  213    HE1  TYR  27           HE1      TYR  27 -11.430   9.015   5.661
  214    HE2  TYR  27           HE2      TYR  27 -12.911   5.146   6.832
  215    HH   TYR  27           HH       TYR  27 -13.633   8.578   6.252
  216    H    LYS  28           H        LYS  28  -5.113   5.607   6.201
  217    HA   LYS  28           HA       LYS  28  -4.793   7.355   3.910
  218   1HB   LYS  28          HB2       LYS  28  -2.535   6.161   5.518
  219   2HB   LYS  28          HB3       LYS  28  -2.518   7.605   4.508
  220   1HG   LYS  28          HG2       LYS  28  -3.854   7.153   7.203
  221   2HG   LYS  28          HG3       LYS  28  -2.505   8.215   6.746
  222   1HD   LYS  28          HD2       LYS  28  -3.983   9.653   5.450
  223   2HD   LYS  28          HD3       LYS  28  -5.368   8.586   5.778
  224   1HE   LYS  28          HE2       LYS  28  -5.160   9.026   8.207
  225   2HE   LYS  28          HE3       LYS  28  -3.796  10.122   7.899
  226   1HZ   LYS  28          HZ1       LYS  28  -5.302  11.503   6.591
  227   2HZ   LYS  28          HZ2       LYS  28  -6.498  10.497   6.763
  228   3HZ   LYS  28          HZ3       LYS  28  -5.947  11.305   8.115
  229    H    VAL  29           H        VAL  29  -3.396   7.069   2.163
  230    HA   VAL  29           HA       VAL  29  -3.502   4.316   0.995
  231    HB   VAL  29           HB       VAL  29  -3.639   7.009  -0.397
  232   1HG1  VAL  29          HG11      VAL  29  -2.453   5.438  -1.836
  233   2HG1  VAL  29          HG12      VAL  29  -3.643   4.168  -1.491
  234   3HG1  VAL  29          HG13      VAL  29  -4.109   5.603  -2.421
  235   1HG2  VAL  29          HG21      VAL  29  -5.897   6.632  -0.780
  236   2HG2  VAL  29          HG22      VAL  29  -5.714   4.890  -0.709
  237   3HG2  VAL  29          HG23      VAL  29  -5.769   5.820   0.803
  238    H    TYR  30           H        TYR  30  -1.706   3.455   0.180
  239    HA   TYR  30           HA       TYR  30   0.894   4.863   0.597
  240   1HB   TYR  30          HB2       TYR  30  -0.329   2.184   1.320
  241   2HB   TYR  30          HB3       TYR  30   1.391   2.362   1.335
  242    HD1  TYR  30           HD1      TYR  30  -1.845   3.206   2.850
  243    HD2  TYR  30           HD2      TYR  30   2.371   3.906   3.107
  244    HE1  TYR  30           HE1      TYR  30  -2.133   4.057   5.161
  245    HE2  TYR  30           HE2      TYR  30   2.028   4.903   5.403
  246    HH   TYR  30           HH       TYR  30  -0.922   4.925   7.171
  247    H    ASP  31           H        ASP  31   2.032   4.964  -1.361
  248    HA   ASP  31           HA       ASP  31   1.328   3.034  -3.531
  249   1HB   ASP  31          HB2       ASP  31   1.687   5.592  -3.944
  250   2HB   ASP  31          HB3       ASP  31   3.409   5.191  -3.760
  251    H    LEU  32           H        LEU  32   2.723   1.391  -4.006
  252    HA   LEU  32           HA       LEU  32   5.377   1.414  -2.609
  253   1HB   LEU  32          HB2       LEU  32   3.669  -1.000  -3.367
  254   2HB   LEU  32          HB3       LEU  32   5.219  -1.021  -2.559
  255    HG   LEU  32           HG       LEU  32   2.555  -0.140  -1.555
  256   1HD1  LEU  32          HD11      LEU  32   3.248  -1.811   0.343
  257   2HD1  LEU  32          HD12      LEU  32   3.074  -2.509  -1.285
  258   3HD1  LEU  32          HD13      LEU  32   4.683  -2.138  -0.606
  259   1HD2  LEU  32          HD21      LEU  32   5.123   0.367  -0.062
  260   2HD2  LEU  32          HD22      LEU  32   3.967   1.590  -0.635
  261   3HD2  LEU  32          HD23      LEU  32   3.452   0.479   0.604
  262    H    THR  33           H        THR  33   4.276   1.900  -5.600
  263    HA   THR  33           HA       THR  33   4.953  -0.222  -7.189
  264    HB   THR  33           HB       THR  33   5.375   2.679  -7.980
  265    HG1  THR  33           HG1      THR  33   3.389   2.469  -7.102
  266   1HG2  THR  33          HG21      THR  33   4.607   1.867 -10.202
  267   2HG2  THR  33          HG22      THR  33   6.132   1.089  -9.746
  268   3HG2  THR  33          HG23      THR  33   4.602   0.198  -9.598
  269    H    LYS  34           H        LYS  34   7.467   1.979  -5.946
  270    HA   LYS  34           HA       LYS  34   9.566   0.506  -7.466
  271   1HB   LYS  34          HB2       LYS  34   9.723   2.695  -5.359
  272   2HB   LYS  34          HB3       LYS  34  11.107   1.958  -6.192
  273   1HG   LYS  34          HG2       LYS  34  10.245   2.679  -8.366
  274   2HG   LYS  34          HG3       LYS  34   8.815   3.394  -7.588
  275   1HD   LYS  34          HD2       LYS  34  10.315   4.945  -6.301
  276   2HD   LYS  34          HD3       LYS  34  11.719   4.195  -7.064
  277   1HE   LYS  34          HE2       LYS  34  11.214   6.311  -8.171
  278   2HE   LYS  34          HE3       LYS  34  11.000   4.957  -9.290
  279   1HZ   LYS  34          HZ1       LYS  34   8.637   5.111  -8.945
  280   2HZ   LYS  34          HZ2       LYS  34   8.816   6.328  -7.849
  281   3HZ   LYS  34          HZ3       LYS  34   9.218   6.569  -9.426
  282    H    PHE  35           H        PHE  35   8.041   0.511  -4.297
  283    HA   PHE  35           HA       PHE  35  10.210  -0.857  -2.931
  284   1HB   PHE  35          HB2       PHE  35   8.368   0.732  -1.899
  285   2HB   PHE  35          HB3       PHE  35   7.311  -0.693  -1.997
  286    HD1  PHE  35           HD1      PHE  35   7.263  -2.162  -0.177
  287    HD2  PHE  35           HD2      PHE  35  10.787   0.239  -0.834
  288    HE1  PHE  35           HE1      PHE  35   8.342  -3.203   1.743
  289    HE2  PHE  35           HE2      PHE  35  11.872  -0.829   1.116
  290    HZ   PHE  35           HZ       PHE  35  10.682  -2.591   2.384
  291    H    LEU  36           H        LEU  36   7.346  -1.689  -4.737
  292    HA   LEU  36           HA       LEU  36   6.959  -4.402  -4.430
  293   1HB   LEU  36          HB2       LEU  36   7.525  -2.883  -7.019
  294   2HB   LEU  36          HB3       LEU  36   6.771  -4.451  -6.936
  295    HG   LEU  36           HG       LEU  36   5.583  -1.869  -6.021
  296   1HD1  LEU  36          HD11      LEU  36   3.922  -2.419  -7.782
  297   2HD1  LEU  36          HD12      LEU  36   5.566  -2.376  -8.450
  298   3HD1  LEU  36          HD13      LEU  36   4.796  -3.922  -8.109
  299   1HD2  LEU  36          HD21      LEU  36   3.509  -3.204  -5.529
  300   2HD2  LEU  36          HD22      LEU  36   4.520  -4.654  -5.516
  301   3HD2  LEU  36          HD23      LEU  36   4.826  -3.340  -4.364
  302    H    GLU  37           H        GLU  37   9.830  -2.833  -5.902
  303    HA   GLU  37           HA       GLU  37  11.229  -5.280  -6.495
  304   1HB   GLU  37          HB2       GLU  37  12.282  -2.442  -6.036
  305   2HB   GLU  37          HB3       GLU  37  13.153  -3.765  -6.767
  306   1HG   GLU  37          HG2       GLU  37  11.611  -3.788  -8.674
  307   2HG   GLU  37          HG3       GLU  37  10.551  -2.600  -7.904
  308    H    GLU  38           H        GLU  38  11.971  -2.772  -4.027
  309    HA   GLU  38           HA       GLU  38  13.638  -4.647  -2.582
  310   1HB   GLU  38          HB2       GLU  38  12.882  -1.753  -2.028
  311   2HB   GLU  38          HB3       GLU  38  14.123  -2.699  -1.192
  312   1HG   GLU  38          HG2       GLU  38  14.217  -2.168  -4.202
  313   2HG   GLU  38          HG3       GLU  38  15.014  -1.162  -2.987
  314    H    HIS  39           HN       HIS  39  11.136  -5.683  -2.395
  315    HA   HIS  39           HA       HIS  39  10.402  -5.262   0.499
  316   1HB   HIS  39          HB2       HIS  39   8.583  -4.523  -0.919
  317   2HB   HIS  39          HB3       HIS  39   8.602  -6.061  -1.798
  318    HD1  HIS  39           HD1      HIS  39   6.460  -7.338  -0.975
  319    HD2  HIS  39           HD2      HIS  39   8.582  -5.320   2.051
  320    HE1  HIS  39           HE1      HIS  39   5.200  -7.728   1.214
  321    HA   PRO  40           HA       PRO  40  11.434  -9.751   0.687
  322   1HB   PRO  40          HB2       PRO  40  10.804  -9.152   3.560
  323   2HB   PRO  40          HB3       PRO  40  12.166 -10.086   2.891
  324   1HG   PRO  40          HG2       PRO  40  12.560  -7.578   3.880
  325   2HG   PRO  40          HG3       PRO  40  13.363  -8.081   2.362
  326   1HD   PRO  40          HD2       PRO  40  10.775  -6.530   2.660
  327   2HD   PRO  40          HD3       PRO  40  12.215  -6.111   1.668
  328    H    GLY  41           H        GLY  41   9.591 -10.890   0.034
  329   1HA   GLY  41          HA1       GLY  41   7.113 -11.470   0.753
  330   2HA   GLY  41          HA2       GLY  41   6.934  -9.732   0.744
  331    H    GLY  42           H        GLY  42   8.712  -9.038  -1.361
  332   1HA   GLY  42          HA1       GLY  42   8.847  -8.893  -3.654
  333   2HA   GLY  42          HA2       GLY  42   7.880 -10.371  -3.812
  334    H    GLU  43           H        GLU  43   7.151  -8.844  -5.586
  335    HA   GLU  43           HA       GLU  43   5.368  -6.682  -4.956
  336   1HB   GLU  43          HB2       GLU  43   6.681  -6.603  -6.906
  337   2HB   GLU  43          HB3       GLU  43   6.133  -8.132  -7.513
  338   1HG   GLU  43          HG2       GLU  43   3.953  -7.418  -7.967
  339   2HG   GLU  43          HG3       GLU  43   4.229  -5.826  -7.294
  340    H    GLU  44           H        GLU  44   4.663  -9.850  -6.610
  341    HA   GLU  44           HA       GLU  44   2.094 -10.160  -6.517
  342   1HB   GLU  44          HB2       GLU  44   4.269 -12.042  -5.610
  343   2HB   GLU  44          HB3       GLU  44   2.594 -12.594  -5.528
  344   1HG   GLU  44          HG2       GLU  44   3.989 -13.068  -7.706
  345   2HG   GLU  44          HG3       GLU  44   2.279 -12.628  -7.791
  346    H    VAL  45           H        VAL  45   3.811 -10.855  -3.430
  347    HA   VAL  45           HA       VAL  45   1.514 -11.313  -1.878
  348    HB   VAL  45           HB       VAL  45   4.239 -10.191  -1.138
  349   1HG1  VAL  45          HG11      VAL  45   2.768  -9.483   0.655
  350   2HG1  VAL  45          HG12      VAL  45   2.002 -11.090   0.723
  351   3HG1  VAL  45          HG13      VAL  45   3.701 -10.880   1.199
  352   1HG2  VAL  45          HG21      VAL  45   2.953 -12.950  -0.800
  353   2HG2  VAL  45          HG22      VAL  45   4.170 -12.535  -2.024
  354   3HG2  VAL  45          HG23      VAL  45   4.597 -12.506  -0.306
  355    H    LEU  46           H        LEU  46   3.007  -8.183  -2.744
  356    HA   LEU  46           HA       LEU  46   1.208  -6.615  -1.047
  357   1HB   LEU  46          HB2       LEU  46   2.926  -5.778  -3.423
  358   2HB   LEU  46          HB3       LEU  46   2.138  -4.709  -2.276
  359    HG   LEU  46           HG       LEU  46   4.251  -6.769  -1.465
  360   1HD1  LEU  46          HD11      LEU  46   4.581  -3.856  -2.214
  361   2HD1  LEU  46          HD12      LEU  46   5.799  -4.798  -1.346
  362   3HD1  LEU  46          HD13      LEU  46   5.317  -5.274  -2.979
  363   1HD2  LEU  46          HD21      LEU  46   4.411  -5.177   0.521
  364   2HD2  LEU  46          HD22      LEU  46   2.892  -4.463  -0.030
  365   3HD2  LEU  46          HD23      LEU  46   2.953  -6.181   0.406
  366    H    ARG  47           H        ARG  47   1.430  -7.672  -4.416
  367    HA   ARG  47           HA       ARG  47  -0.491  -5.946  -5.564
  368   1HB   ARG  47          HB2       ARG  47   1.275  -7.428  -6.724
  369   2HB   ARG  47          HB3       ARG  47   0.129  -8.766  -6.521
  370   1HG   ARG  47          HG2       ARG  47  -1.597  -7.173  -7.668
  371   2HG   ARG  47          HG3       ARG  47  -0.202  -6.212  -8.123
  372   1HD   ARG  47          HD2       ARG  47  -0.896  -9.099  -8.824
  373   2HD   ARG  47          HD3       ARG  47  -0.771  -7.740  -9.946
  374    HE   ARG  47           HE       ARG  47   1.337  -9.561  -9.164
  375   1HH1  ARG  47          HH22      ARG  47   1.021  -6.030  -9.678
  376   2HH1  ARG  47          HH21      ARG  47   2.719  -5.988 -10.181
  377   1HH2  ARG  47          HH11      ARG  47   3.323  -9.349  -9.974
  378   2HH2  ARG  47          HH12      ARG  47   3.930  -7.731 -10.428
  379    H    GLU  48           H        GLU  48  -0.707  -9.250  -4.358
  380    HA   GLU  48           HA       GLU  48  -3.296 -10.062  -4.665
  381   1HB   GLU  48          HB2       GLU  48  -1.404 -11.288  -3.635
  382   2HB   GLU  48          HB3       GLU  48  -1.442 -10.192  -2.256
  383   1HG   GLU  48          HG2       GLU  48  -2.477 -12.296  -1.636
  384   2HG   GLU  48          HG3       GLU  48  -3.774 -11.101  -1.725
  385    H    GLN  49           H        GLN  49  -2.065  -7.854  -2.121
  386    HA   GLN  49           HA       GLN  49  -4.785  -7.536  -0.989
  387   1HB   GLN  49          HB2       GLN  49  -2.622  -8.103   0.319
  388   2HB   GLN  49          HB3       GLN  49  -2.165  -6.425   0.030
  389   1HG   GLN  49          HG2       GLN  49  -3.124  -6.444   2.143
  390   2HG   GLN  49          HG3       GLN  49  -4.417  -5.782   1.115
  391   1HE2  GLN  49          HE21      GLN  49  -6.254  -6.375   2.384
  392   2HE2  GLN  49          HE22      GLN  49  -6.590  -8.058   2.725
  393    H    ALA  50           H        ALA  50  -2.503  -5.861  -3.004
  394    HA   ALA  50           HA       ALA  50  -2.949  -3.191  -2.439
  395   1HB   ALA  50          HB1       ALA  50  -2.441  -4.474  -5.146
  396   2HB   ALA  50          HB2       ALA  50  -2.222  -2.767  -4.754
  397   3HB   ALA  50          HB3       ALA  50  -1.204  -3.984  -3.953
  398    H    GLY  51           H        GLY  51  -4.053  -1.535  -3.645
  399   1HA   GLY  51          HA1       GLY  51  -6.108  -0.515  -4.081
  400   2HA   GLY  51          HA2       GLY  51  -6.301  -1.785  -5.262
  401    H    GLY  52           H        GLY  52  -5.865  -1.895  -1.655
  402   1HA   GLY  52          HA1       GLY  52  -8.576  -1.554  -1.015
  403   2HA   GLY  52          HA2       GLY  52  -8.172  -3.291  -1.026
  404    H    ASP  53           H        ASP  53  -8.928  -2.189   1.094
  405    HA   ASP  53           HA       ASP  53  -7.462  -1.617   3.354
  406   1HB   ASP  53          HB2       ASP  53  -9.428  -3.882   3.063
  407   2HB   ASP  53          HB3       ASP  53  -8.969  -3.040   4.550
  408    H    ALA  54           H        ALA  54  -5.270  -2.122   3.065
  409    HA   ALA  54           HA       ALA  54  -4.525  -5.019   3.379
  410   1HB   ALA  54          HB1       ALA  54  -2.917  -2.589   2.519
  411   2HB   ALA  54          HB2       ALA  54  -2.269  -4.234   2.658
  412   3HB   ALA  54          HB3       ALA  54  -3.498  -3.831   1.435
  413    H    THR  55           H        THR  55  -5.543  -2.792   5.321
  414    HA   THR  55           HA       THR  55  -3.417  -1.945   6.944
  415    HB   THR  55           HB       THR  55  -6.353  -2.266   7.693
  416    HG1  THR  55           HG1      THR  55  -5.235  -0.869   5.716
  417   1HG2  THR  55          HG21      THR  55  -4.069  -0.472   8.632
  418   2HG2  THR  55          HG22      THR  55  -5.777  -0.195   9.037
  419   3HG2  THR  55          HG23      THR  55  -4.948  -1.656   9.604
  420    H    GLU  56           H        GLU  56  -5.798  -4.569   7.675
  421    HA   GLU  56           HA       GLU  56  -4.607  -5.463  10.037
  422   1HB   GLU  56          HB2       GLU  56  -6.890  -6.035   9.218
  423   2HB   GLU  56          HB3       GLU  56  -6.199  -6.967   7.883
  424   1HG   GLU  56          HG2       GLU  56  -5.183  -8.533   9.530
  425   2HG   GLU  56          HG3       GLU  56  -5.890  -7.580  10.850
  426    H    ASN  57           H        ASN  57  -4.312  -6.796   6.713
  427    HA   ASN  57           HA       ASN  57  -2.471  -8.760   7.216
  428   1HB   ASN  57          HB2       ASN  57  -3.702  -8.224   5.063
  429   2HB   ASN  57          HB3       ASN  57  -2.426  -7.065   4.678
  430   1HD2  ASN  57          HD21      ASN  57  -3.089  -9.434   3.070
  431   2HD2  ASN  57          HD22      ASN  57  -1.695 -10.488   3.178
  432    H    PHE  58           H        PHE  58  -1.642  -5.384   6.253
  433    HA   PHE  58           HA       PHE  58   1.173  -5.675   6.421
  434   1HB   PHE  58          HB2       PHE  58   0.146  -3.754   5.354
  435   2HB   PHE  58          HB3       PHE  58  -0.654  -3.288   6.849
  436    HD1  PHE  58           HD1      PHE  58   0.370  -1.661   8.243
  437    HD2  PHE  58           HD2      PHE  58   2.826  -4.048   5.640
  438    HE1  PHE  58           HE1      PHE  58   2.342  -0.316   8.873
  439    HE2  PHE  58           HE2      PHE  58   4.805  -2.671   6.237
  440    HZ   PHE  58           HZ       PHE  58   4.572  -0.806   7.852
  441    H    GLU  59           H        GLU  59  -1.071  -4.299   8.863
  442    HA   GLU  59           HA       GLU  59   0.852  -3.549  10.711
  443   1HB   GLU  59          HB2       GLU  59  -1.684  -2.999  10.498
  444   2HB   GLU  59          HB3       GLU  59  -1.960  -4.453  11.445
  445   1HG   GLU  59          HG2       GLU  59  -2.028  -2.700  12.964
  446   2HG   GLU  59          HG3       GLU  59  -0.406  -3.328  13.220
  447    H    ASP  60           H        ASP  60  -1.120  -6.380  10.496
  448    HA   ASP  60           HA       ASP  60  -0.457  -8.037  12.596
  449   1HB   ASP  60          HB2       ASP  60  -2.328  -8.393  10.980
  450   2HB   ASP  60          HB3       ASP  60  -1.148  -8.703   9.712
  451    H    HIS  61           H        HIS  61   1.161  -7.864   9.384
  452    HA   HIS  61           HA       HIS  61   2.893 -10.121   9.978
  453   1HB   HIS  61          HB2       HIS  61   2.503  -8.296   7.609
  454   2HB   HIS  61          HB3       HIS  61   3.882  -9.398   7.667
  455    HD1  HIS  61           HD1      HIS  61   0.043  -9.720   7.944
  456    HD2  HIS  61           HD2      HIS  61   3.535 -11.811   6.882
  457    HE1  HIS  61           HE1      HIS  61  -0.708 -11.995   7.035
  458    H    GLY  62           H        GLY  62   3.304  -8.251  11.887
  459   1HA   GLY  62          HA1       GLY  62   5.150  -7.779  13.191
  460   2HA   GLY  62          HA2       GLY  62   6.181  -8.435  11.911
  461    H    HIS  63           HN       HIS  63   6.400  -6.982   9.974
  462    HA   HIS  63           HA       HIS  63   7.537  -5.141   9.199
  463   1HB   HIS  63          HB2       HIS  63   4.673  -4.339   9.785
  464   2HB   HIS  63          HB3       HIS  63   5.775  -3.332   8.838
  465    HD1  HIS  63           HD1      HIS  63   3.397  -6.071   8.244
  466    HD2  HIS  63           HD2      HIS  63   7.058  -4.690   6.733
  467    HE1  HIS  63           HE1      HIS  63   3.617  -7.051   5.907
  468    H    SER  64           H        SER  64   9.207  -4.634  10.538
  469    HA   SER  64           HA       SER  64   9.326  -3.376  12.935
  470   1HB   SER  64          HB2       SER  64  11.125  -2.785  10.539
  471   2HB   SER  64          HB3       SER  64  11.551  -2.582  12.249
  472    HG   SER  64           HG       SER  64  11.069  -4.958  10.779
  473    H    THR  65           H        THR  65   9.681  -1.224  13.694
  474    HA   THR  65           HA       THR  65   7.962   0.884  13.130
  475    HB   THR  65           HB       THR  65  10.216   2.112  14.052
  476    HG1  THR  65           HG1      THR  65  11.660   0.345  13.610
  477   1HG2  THR  65          HG21      THR  65   8.730  -0.034  15.639
  478   2HG2  THR  65          HG22      THR  65   9.702   1.285  16.323
  479   3HG2  THR  65          HG23      THR  65   8.216   1.658  15.429
  480    H    ASP  66           H        ASP  66  11.125   0.192  11.699
  481    HA   ASP  66           HA       ASP  66  11.415   2.477  10.128
  482   1HB   ASP  66          HB2       ASP  66  12.553  -0.329   9.677
  483   2HB   ASP  66          HB3       ASP  66  13.292   1.218   9.244
  484    H    ALA  67           H        ALA  67   9.878  -0.668   9.381
  485    HA   ALA  67           HA       ALA  67   9.416  -0.205   6.582
  486   1HB   ALA  67          HB1       ALA  67   8.030  -2.071   8.555
  487   2HB   ALA  67          HB2       ALA  67   7.850  -2.097   6.806
  488   3HB   ALA  67          HB3       ALA  67   9.423  -2.473   7.540
  489    H    ARG  68           H        ARG  68   7.687   0.108   9.651
  490    HA   ARG  68           HA       ARG  68   5.248   1.268   8.767
  491   1HB   ARG  68          HB2       ARG  68   6.749   0.887  11.292
  492   2HB   ARG  68          HB3       ARG  68   5.648   2.235  11.364
  493   1HG   ARG  68          HG2       ARG  68   3.830   0.719  10.584
  494   2HG   ARG  68          HG3       ARG  68   4.992  -0.613  10.415
  495   1HD   ARG  68          HD2       ARG  68   5.370  -0.523  12.892
  496   2HD   ARG  68          HD3       ARG  68   4.154   0.748  13.002
  497    HE   ARG  68           HE       ARG  68   2.390  -0.790  12.377
  498   1HH1  ARG  68          HH22      ARG  68   5.451  -2.587  12.530
  499   2HH1  ARG  68          HH21      ARG  68   4.720  -4.033  13.038
  500   1HH2  ARG  68          HH11      ARG  68   1.472  -2.642  12.706
  501   2HH2  ARG  68          HH12      ARG  68   2.294  -4.191  12.815
  502    H    GLU  69           H        GLU  69   8.248   2.984   9.814
  503    HA   GLU  69           HA       GLU  69   7.456   5.590   9.091
  504   1HB   GLU  69          HB2       GLU  69  10.096   4.096   9.303
  505   2HB   GLU  69          HB3       GLU  69  10.104   5.731   8.706
  506   1HG   GLU  69          HG2       GLU  69   8.978   4.859  11.398
  507   2HG   GLU  69          HG3       GLU  69  10.530   5.645  11.070
  508    H    LEU  70           H        LEU  70   9.195   3.170   7.182
  509    HA   LEU  70           HA       LEU  70   9.262   4.540   4.809
  510   1HB   LEU  70          HB2       LEU  70   9.253   1.664   5.509
  511   2HB   LEU  70          HB3       LEU  70   8.531   1.913   3.991
  512    HG   LEU  70           HG       LEU  70  10.716   1.536   3.420
  513   1HD1  LEU  70          HD11      LEU  70  11.479   3.431   2.313
  514   2HD1  LEU  70          HD12      LEU  70   9.791   3.893   2.652
  515   3HD1  LEU  70          HD13      LEU  70  11.102   4.520   3.658
  516   1HD2  LEU  70          HD21      LEU  70  12.693   2.497   4.570
  517   2HD2  LEU  70          HD22      LEU  70  11.611   3.282   5.744
  518   3HD2  LEU  70          HD23      LEU  70  11.684   1.507   5.640
  519    H    SER  71           H        SER  71   6.418   2.824   6.136
  520    HA   SER  71           HA       SER  71   4.765   3.322   3.830
  521   1HB   SER  71          HB2       SER  71   3.044   2.397   5.030
  522   2HB   SER  71          HB3       SER  71   4.401   1.731   5.937
  523    HG   SER  71           HG       SER  71   4.097   3.448   7.433
  524    H    LYS  72           H        LYS  72   5.618   5.271   6.640
  525    HA   LYS  72           HA       LYS  72   3.576   7.274   6.247
  526   1HB   LYS  72          HB2       LYS  72   6.352   7.602   7.541
  527   2HB   LYS  72          HB3       LYS  72   5.005   8.740   7.591
  528   1HG   LYS  72          HG2       LYS  72   3.576   7.066   8.555
  529   2HG   LYS  72          HG3       LYS  72   4.818   5.834   8.526
  530   1HD   LYS  72          HD2       LYS  72   4.296   6.867  10.774
  531   2HD   LYS  72          HD3       LYS  72   5.973   6.656  10.351
  532   1HE   LYS  72          HE2       LYS  72   4.930   9.371   9.662
  533   2HE   LYS  72          HE3       LYS  72   4.812   8.959  11.367
  534   1HZ   LYS  72          HZ1       LYS  72   7.126   8.451  11.441
  535   2HZ   LYS  72          HZ2       LYS  72   7.371   8.651   9.905
  536   3HZ   LYS  72          HZ3       LYS  72   6.964   9.973  10.819
  537    H    THR  73           H        THR  73   6.898   7.069   5.161
  538    HA   THR  73           HA       THR  73   6.648   9.450   3.511
  539    HB   THR  73           HB       THR  73   8.831   8.628   4.320
  540    HG1  THR  73           HG1      THR  73   8.471  10.117   2.501
  541   1HG2  THR  73          HG21      THR  73  10.100   7.063   2.890
  542   2HG2  THR  73          HG22      THR  73   8.796   6.329   3.824
  543   3HG2  THR  73          HG23      THR  73   8.592   6.593   2.076
  544    H    PHE  74           H        PHE  74   5.727   6.092   2.899
  545    HA   PHE  74           HA       PHE  74   5.341   6.518   0.024
  546   1HB   PHE  74          HB2       PHE  74   4.230   4.362   1.837
  547   2HB   PHE  74          HB3       PHE  74   4.206   4.363   0.089
  548    HD1  PHE  74           HD1      PHE  74   5.121   2.113   1.666
  549    HD2  PHE  74           HD2      PHE  74   7.316   5.431   0.027
  550    HE1  PHE  74           HE1      PHE  74   7.175   0.721   1.598
  551    HE2  PHE  74           HE2      PHE  74   9.372   4.064   0.024
  552    HZ   PHE  74           HZ       PHE  74   9.331   1.751   0.972
  553    H    ILE  75           H        ILE  75   3.533   7.503   2.800
  554    HA   ILE  75           HA       ILE  75   0.936   7.294   1.804
  555    HB   ILE  75           HB       ILE  75   2.177   9.432   3.527
  556   1HG1  ILE  75          HG12      ILE  75  -0.058   7.414   4.026
  557   2HG1  ILE  75          HG13      ILE  75   1.634   7.043   4.155
  558   1HG2  ILE  75          HG21      ILE  75  -0.131  10.309   3.963
  559   2HG2  ILE  75          HG22      ILE  75   0.398  10.658   2.328
  560   3HG2  ILE  75          HG23      ILE  75  -0.742   9.323   2.623
  561   1HD1  ILE  75          HD11      ILE  75   0.861   7.582   6.388
  562   2HD1  ILE  75          HD12      ILE  75   1.871   8.936   5.854
  563   3HD1  ILE  75          HD13      ILE  75   0.100   9.078   5.833
  564    H    ILE  76           H        ILE  76  -0.183   8.064   0.170
  565    HA   ILE  76           HA       ILE  76   0.845  10.438  -1.379
  566    HB   ILE  76           HB       ILE  76  -0.162   9.159  -3.376
  567   1HG1  ILE  76          HG12      ILE  76   0.422   6.690  -1.732
  568   2HG1  ILE  76          HG13      ILE  76  -1.191   7.410  -1.661
  569   1HG2  ILE  76          HG21      ILE  76   2.370   8.105  -2.057
  570   2HG2  ILE  76          HG22      ILE  76   1.944   7.965  -3.771
  571   3HG2  ILE  76          HG23      ILE  76   2.240   9.556  -3.064
  572   1HD1  ILE  76          HD11      ILE  76  -0.682   5.536  -3.396
  573   2HD1  ILE  76          HD12      ILE  76  -1.708   6.900  -3.842
  574   3HD1  ILE  76          HD13      ILE  76  -0.027   6.871  -4.379
  575    H    GLY  77           H        GLY  77  -1.821   9.331   0.453
  576   1HA   GLY  77          HA1       GLY  77  -3.592  11.402  -0.017
  577   2HA   GLY  77          HA2       GLY  77  -3.909  10.310  -1.371
  578    H    GLU  78           H        GLU  78  -6.210   9.989  -0.245
  579    HA   GLU  78           HA       GLU  78  -5.880   7.908   1.819
  580   1HB   GLU  78          HB2       GLU  78  -7.712  10.316   1.936
  581   2HB   GLU  78          HB3       GLU  78  -7.467   9.069   3.206
  582   1HG   GLU  78          HG2       GLU  78  -4.999   9.900   3.248
  583   2HG   GLU  78          HG3       GLU  78  -5.612  11.357   2.445
  584    H    LEU  79           H        LEU  79  -7.621   6.777   2.258
  585    HA   LEU  79           HA       LEU  79  -9.424   5.708   0.356
  586   1HB   LEU  79          HB2       LEU  79  -8.493   4.706   2.428
  587   2HB   LEU  79          HB3       LEU  79  -9.353   5.895   3.414
  588    HG   LEU  79           HG       LEU  79 -10.225   3.637   3.514
  589   1HD1  LEU  79          HD11      LEU  79 -12.268   5.418   2.176
  590   2HD1  LEU  79          HD12      LEU  79 -12.533   4.143   3.384
  591   3HD1  LEU  79          HD13      LEU  79 -11.713   5.635   3.843
  592   1HD2  LEU  79          HD21      LEU  79 -11.137   3.934   0.650
  593   2HD2  LEU  79          HD22      LEU  79  -9.566   3.201   1.094
  594   3HD2  LEU  79          HD23      LEU  79 -11.060   2.473   1.683
  595    H    HIS  80           H        HIS  80 -10.730   7.302  -0.714
  596    HA   HIS  80           HA       HIS  80 -11.983   9.319   0.612
  597   1HB   HIS  80          HB2       HIS  80 -11.948   9.037  -1.849
  598   2HB   HIS  80          HB3       HIS  80 -13.190   7.778  -1.692
  599    HD1  HIS  80           HD1      HIS  80 -15.700   8.860  -1.343
  600    HD2  HIS  80           HD2      HIS  80 -12.441  11.459  -0.905
  601    HE1  HIS  80           HE1      HIS  80 -16.686  11.161  -0.826
  602    HA   PRO  81           HA       PRO  81 -14.191   7.147   3.563
  603   1HB   PRO  81          HB2       PRO  81 -16.073   9.601   3.436
  604   2HB   PRO  81          HB3       PRO  81 -15.557   8.783   4.909
  605   1HG   PRO  81          HG2       PRO  81 -14.371  11.125   3.942
  606   2HG   PRO  81          HG3       PRO  81 -13.337   9.863   4.667
  607   1HD   PRO  81          HD2       PRO  81 -13.703  10.575   1.816
  608   2HD   PRO  81          HD3       PRO  81 -12.347   9.790   2.680
  609    H    ASP  82           H        ASP  82 -16.010   8.314   0.920
  610    HA   ASP  82           HA       ASP  82 -18.610   7.363   1.526
  611   1HB   ASP  82          HB2       ASP  82 -18.030   8.846  -0.414
  612   2HB   ASP  82          HB3       ASP  82 -17.159   7.486  -1.172
  613    H    ASP  83           H        ASP  83 -15.680   5.889   0.335
  614    HA   ASP  83           HA       ASP  83 -15.930   3.311  -0.230
  615   1HB   ASP  83          HB2       ASP  83 -13.887   4.679   0.302
  616   2HB   ASP  83          HB3       ASP  83 -14.237   4.606   1.962
  617    H    ARG  84           H        ARG  84 -16.171   4.449   3.233
  618    HA   ARG  84           HA       ARG  84 -15.371   1.886   3.637
  619   1HB   ARG  84          HB2       ARG  84 -15.034   4.111   5.134
  620   2HB   ARG  84          HB3       ARG  84 -15.833   2.998   6.244
  621   1HG   ARG  84          HG2       ARG  84 -13.321   2.404   4.595
  622   2HG   ARG  84          HG3       ARG  84 -13.341   2.872   6.277
  623   1HD   ARG  84          HD2       ARG  84 -12.884   0.498   6.085
  624   2HD   ARG  84          HD3       ARG  84 -14.418   0.772   6.923
  625    HE   ARG  84           HE       ARG  84 -15.613  -0.114   5.142
  626   1HH1  ARG  84          HH22      ARG  84 -12.152  -0.475   3.844
  627   2HH1  ARG  84          HH21      ARG  84 -12.843   0.591   2.607
  628   1HH2  ARG  84          HH11      ARG  84 -16.151  -0.242   3.164
  629   2HH2  ARG  84          HH12      ARG  84 -14.987  -0.333   1.854
  630    HHA  HEM 201           HGM      HEM 201   9.321  -9.200   5.597
  631    HHB  HEM 201           HDM      HEM 201   9.179  -2.854   4.642
  632    HHC  HEM 201           HAM      HEM 201   3.002  -3.260   2.885
  633    HHD  HEM 201           HBM      HEM 201   3.339  -9.731   3.301
  634   1HMA  HEM 201          HM81      HEM 201  11.408  -3.601   4.744
  635   2HMA  HEM 201          HM82      HEM 201  11.112  -3.727   6.493
  636   3HMA  HEM 201          HM83      HEM 201  12.273  -4.798   5.700
  637   1HAA  HEM 201          HP71      HEM 201  11.252  -8.403   6.191
  638   2HAA  HEM 201          HP72      HEM 201  12.204  -6.865   6.382
  639   1HBA  HEM 201          HP73      HEM 201  11.571  -7.998   8.510
  640   2HBA  HEM 201          HP74      HEM 201   9.816  -7.647   8.109
  641   1HMB  HEM 201          HM11      HEM 201   8.227  -0.637   3.141
  642   2HMB  HEM 201          HM12      HEM 201   6.874   0.119   4.003
  643   3HMB  HEM 201          HM13      HEM 201   8.090  -0.778   4.891
  644    HAB  HEM 201          HT2A      HEM 201   4.811  -0.744   1.897
  645   1HBB  HEM 201          HV2C      HEM 201   4.654   0.959   3.515
  646   2HBB  HEM 201          HV2T      HEM 201   3.835  -0.252   4.719
  647   1HMC  HEM 201          HM31      HEM 201   0.916  -4.043   2.939
  648   2HMC  HEM 201          HM32      HEM 201   0.552  -5.179   1.622
  649   3HMC  HEM 201          HM33      HEM 201   0.012  -5.527   3.277
  650    HAC  HEM 201          HT4A      HEM 201   0.988  -9.018   3.564
  651   1HBC  HEM 201          HV4C      HEM 201   0.336  -7.485   0.995
  652   2HBC  HEM 201          HV4T      HEM 201  -0.323  -9.135   1.540
  653   1HMD  HEM 201          HM51      HEM 201   5.325 -12.568   4.847
  654   2HMD  HEM 201          HM52      HEM 201   3.901 -11.655   4.364
  655   3HMD  HEM 201          HM53      HEM 201   5.056 -12.204   3.127
  656   1HAD  HEM 201          HP61      HEM 201   7.595 -12.451   4.375
  657   2HAD  HEM 201          HP62      HEM 201   8.992 -11.304   4.585
  658   1HBD  HEM 201          HP63      HEM 201   7.121 -11.980   6.892
  659   2HBD  HEM 201          HP64      HEM 201   8.503 -13.090   6.403
  Start of MODEL   25
    1   1H    ALA   3          H1        ALA   3  -4.013  19.612   4.928
    2   2H    ALA   3          H2        ALA   3  -2.942  19.499   3.713
    3   3H    ALA   3          H3        ALA   3  -3.678  20.966   4.020
    4    HA   ALA   3           HA       ALA   3  -4.656  19.979   2.098
    5   1HB   ALA   3          HB1       ALA   3  -7.000  19.754   2.835
    6   2HB   ALA   3          HB2       ALA   3  -6.476  19.557   4.519
    7   3HB   ALA   3          HB3       ALA   3  -6.228  21.104   3.679
    8    H    VAL   4           H        VAL   4  -6.345  17.983   1.627
    9    HA   VAL   4           HA       VAL   4  -4.784  15.550   1.947
   10    HB   VAL   4           HB       VAL   4  -6.783  14.242   2.607
   11   1HG1  VAL   4          HG11      VAL   4  -6.801  14.712   4.951
   12   2HG1  VAL   4          HG12      VAL   4  -5.164  15.004   4.341
   13   3HG1  VAL   4          HG13      VAL   4  -6.244  16.374   4.697
   14   1HG2  VAL   4          HG21      VAL   4  -8.597  15.588   1.851
   15   2HG2  VAL   4          HG22      VAL   4  -8.741  15.328   3.593
   16   3HG2  VAL   4          HG23      VAL   4  -8.187  16.900   2.990
   17    H    LYS   5           H        LYS   5  -6.107  13.862   0.439
   18    HA   LYS   5           HA       LYS   5  -7.113  15.362  -1.985
   19   1HB   LYS   5          HB2       LYS   5  -5.722  12.657  -1.812
   20   2HB   LYS   5          HB3       LYS   5  -6.423  13.403  -3.258
   21   1HG   LYS   5          HG2       LYS   5  -4.832  15.354  -2.922
   22   2HG   LYS   5          HG3       LYS   5  -4.062  14.398  -1.629
   23   1HD   LYS   5          HD2       LYS   5  -3.705  12.538  -3.315
   24   2HD   LYS   5          HD3       LYS   5  -4.424  13.556  -4.561
   25   1HE   LYS   5          HE2       LYS   5  -2.044  13.659  -4.808
   26   2HE   LYS   5          HE3       LYS   5  -2.598  15.242  -4.240
   27   1HZ   LYS   5          HZ1       LYS   5  -0.621  14.415  -3.079
   28   2HZ   LYS   5          HZ2       LYS   5  -1.877  14.610  -2.028
   29   3HZ   LYS   5          HZ3       LYS   5  -1.470  13.108  -2.548
   30    H    TYR   6           H        TYR   6  -7.331  12.589   0.177
   31    HA   TYR   6           HA       TYR   6  -8.537  10.783   0.146
   32   1HB   TYR   6          HB2       TYR   6 -10.861  12.753   0.324
   33   2HB   TYR   6          HB3       TYR   6 -10.751  10.961   0.383
   34    HD1  TYR   6           HD1      TYR   6 -10.208  13.839   2.604
   35    HD2  TYR   6           HD2      TYR   6  -9.862   9.648   1.911
   36    HE1  TYR   6           HE1      TYR   6  -9.676  13.465   5.009
   37    HE2  TYR   6           HE2      TYR   6  -9.352   9.215   4.181
   38    HH   TYR   6           HH       TYR   6  -9.126  11.917   6.624
   39    H    TYR   7           H        TYR   7  -7.692  10.302  -1.609
   40    HA   TYR   7           HA       TYR   7  -8.769   9.662  -4.097
   41   1HB   TYR   7          HB2       TYR   7  -6.924   8.662  -1.958
   42   2HB   TYR   7          HB3       TYR   7  -7.478   7.418  -2.854
   43    HD1  TYR   7           HD1      TYR   7  -7.293   9.606  -5.565
   44    HD2  TYR   7           HD2      TYR   7  -4.645   8.341  -2.391
   45    HE1  TYR   7           HE1      TYR   7  -5.503  10.998  -6.491
   46    HE2  TYR   7           HE2      TYR   7  -2.809   9.545  -3.481
   47    HH   TYR   7           HH       TYR   7  -2.144  10.751  -5.339
   48    H    THR   8           H        THR   8 -10.229   8.257  -4.804
   49    HA   THR   8           HA       THR   8 -12.171   7.295  -2.801
   50    HB   THR   8           HB       THR   8 -13.638   6.890  -4.740
   51    HG1  THR   8           HG1      THR   8 -11.748   8.226  -6.349
   52   1HG2  THR   8          HG21      THR   8 -13.998   9.259  -5.282
   53   2HG2  THR   8          HG22      THR   8 -13.660   9.043  -3.551
   54   3HG2  THR   8          HG23      THR   8 -12.396   9.676  -4.631
   55    H    LEU   9           H        LEU   9 -12.988   5.117  -2.801
   56    HA   LEU   9           HA       LEU   9 -11.131   3.044  -3.039
   57   1HB   LEU   9          HB2       LEU   9 -12.738   2.551  -1.706
   58   2HB   LEU   9          HB3       LEU   9 -14.060   3.232  -2.638
   59    HG   LEU   9           HG       LEU   9 -12.614   0.693  -3.554
   60   1HD1  LEU   9          HD11      LEU   9 -14.795   0.823  -1.446
   61   2HD1  LEU   9          HD12      LEU   9 -14.225  -0.655  -2.255
   62   3HD1  LEU   9          HD13      LEU   9 -13.121   0.267  -1.227
   63   1HD2  LEU   9          HD21      LEU   9 -15.532   1.604  -3.767
   64   2HD2  LEU   9          HD22      LEU   9 -14.356   1.673  -5.091
   65   3HD2  LEU   9          HD23      LEU   9 -14.854   0.111  -4.447
   66    H    GLU  10           H        GLU  10 -13.405   4.206  -5.544
   67    HA   GLU  10           HA       GLU  10 -12.943   2.281  -7.519
   68   1HB   GLU  10          HB2       GLU  10 -14.461   4.180  -7.873
   69   2HB   GLU  10          HB3       GLU  10 -13.123   5.326  -7.880
   70   1HG   GLU  10          HG2       GLU  10 -12.149   4.296  -9.851
   71   2HG   GLU  10          HG3       GLU  10 -13.366   3.014  -9.860
   72    H    GLU  11           H        GLU  11 -11.068   5.246  -6.941
   73    HA   GLU  11           HA       GLU  11  -9.042   4.666  -8.900
   74   1HB   GLU  11          HB2       GLU  11  -8.966   6.381  -6.325
   75   2HB   GLU  11          HB3       GLU  11  -7.652   6.268  -7.458
   76   1HG   GLU  11          HG2       GLU  11 -10.495   7.273  -8.103
   77   2HG   GLU  11          HG3       GLU  11  -9.111   8.321  -7.752
   78    H    ILE  12           H        ILE  12  -9.271   4.109  -5.390
   79    HA   ILE  12           HA       ILE  12  -6.634   3.327  -5.327
   80    HB   ILE  12           HB       ILE  12  -8.978   2.532  -3.499
   81   1HG1  ILE  12          HG12      ILE  12  -6.717   4.413  -2.740
   82   2HG1  ILE  12          HG13      ILE  12  -8.034   5.028  -3.732
   83   1HG2  ILE  12          HG21      ILE  12  -7.279   1.972  -1.762
   84   2HG2  ILE  12          HG22      ILE  12  -7.369   0.846  -3.114
   85   3HG2  ILE  12          HG23      ILE  12  -6.036   2.030  -3.034
   86   1HD1  ILE  12          HD11      ILE  12  -8.514   5.529  -1.443
   87   2HD1  ILE  12          HD12      ILE  12  -9.661   4.300  -1.959
   88   3HD1  ILE  12          HD13      ILE  12  -8.285   3.843  -0.942
   89    H    GLN  13           H        GLU  13  -9.546   1.357  -5.738
   90    HA   GLN  13           HA       GLU  13  -8.415  -1.244  -5.884
   91   1HB   GLN  13          HB2       GLU  13 -10.764   0.076  -7.308
   92   2HB   GLN  13          HB3       GLU  13 -10.396  -1.630  -7.484
   93   1HG   GLN  13          HG2       GLU  13 -10.705  -0.472  -4.687
   94   2HG   GLN  13          HG3       GLU  13 -12.148  -0.696  -5.682
   95    H    LYS  14           H        LYS  14  -9.051   1.192  -8.355
   96    HA   LYS  14           HA       LYS  14  -8.140  -0.157 -10.627
   97   1HB   LYS  14          HB2       LYS  14  -9.586   1.682 -10.651
   98   2HB   LYS  14          HB3       LYS  14  -8.467   2.727  -9.789
   99   1HG   LYS  14          HG2       LYS  14  -6.992   2.856 -11.698
  100   2HG   LYS  14          HG3       LYS  14  -8.172   1.941 -12.680
  101   1HD   LYS  14          HD2       LYS  14  -8.499   4.636 -11.269
  102   2HD   LYS  14          HD3       LYS  14  -8.365   4.399 -13.008
  103   1HE   LYS  14          HE2       LYS  14 -10.583   3.304 -13.078
  104   2HE   LYS  14          HE3       LYS  14 -10.696   3.359 -11.314
  105   1HZ   LYS  14          HZ1       LYS  14 -11.952   5.124 -12.133
  106   2HZ   LYS  14          HZ2       LYS  14 -10.631   5.737 -11.398
  107   3HZ   LYS  14          HZ3       LYS  14 -10.701   5.731 -13.027
  108    H    HIS  15           H        HIS  15  -6.319   1.865  -8.296
  109    HA   HIS  15           HA       HIS  15  -3.868   1.805  -9.884
  110   1HB   HIS  15          HB2       HIS  15  -4.692   2.959  -7.218
  111   2HB   HIS  15          HB3       HIS  15  -3.005   2.812  -7.715
  112    HD1  HIS  15           HD1      HIS  15  -2.081   4.907  -8.758
  113    HD2  HIS  15           HD2      HIS  15  -6.158   4.257  -9.566
  114    HE1  HIS  15           HE1      HIS  15  -2.826   6.774 -10.342
  115    H    ASN  16           H        ASN  16  -4.077  -0.639  -9.893
  116    HA   ASN  16           HA       ASN  16  -1.900  -1.584  -8.075
  117   1HB   ASN  16          HB2       ASN  16  -3.020  -3.579  -7.396
  118   2HB   ASN  16          HB3       ASN  16  -4.008  -2.171  -6.974
  119   1HD2  ASN  16          HD21      ASN  16  -5.413  -4.313  -6.780
  120   2HD2  ASN  16          HD22      ASN  16  -6.453  -4.559  -8.179
  121    H    ASN  17           H        ASN  17  -1.850  -0.866 -10.796
  122    HA   ASN  17           HA       ASN  17  -1.955  -3.480 -12.269
  123   1HB   ASN  17          HB2       ASN  17  -3.606  -1.484 -12.637
  124   2HB   ASN  17          HB3       ASN  17  -2.304  -0.805 -13.614
  125   1HD2  ASN  17          HD21      ASN  17  -1.327  -2.733 -15.184
  126   2HD2  ASN  17          HD22      ASN  17  -2.605  -3.596 -16.042
  127    H    SER  18           H        SER  18   0.479  -2.192 -10.945
  128    HA   SER  18           HA       SER  18   2.727  -2.214 -11.355
  129   1HB   SER  18          HB2       SER  18   2.136  -4.309 -12.763
  130   2HB   SER  18          HB3       SER  18   2.287  -3.250 -14.178
  131    HG   SER  18           HG       SER  18   4.265  -3.864 -12.227
  132    H    LYS  19           H        LYS  19   1.699  -0.034 -11.265
  133    HA   LYS  19           HA       LYS  19   2.501   1.899 -13.312
  134   1HB   LYS  19          HB2       LYS  19  -0.388   0.976 -12.819
  135   2HB   LYS  19          HB3       LYS  19  -0.037   2.594 -13.369
  136   1HG   LYS  19          HG2       LYS  19   0.521   0.009 -14.874
  137   2HG   LYS  19          HG3       LYS  19  -0.712   1.218 -15.216
  138   1HD   LYS  19          HD2       LYS  19   1.145   2.900 -15.618
  139   2HD   LYS  19          HD3       LYS  19   2.307   1.558 -15.457
  140   1HE   LYS  19          HE2       LYS  19   1.159   0.339 -17.299
  141   2HE   LYS  19          HE3       LYS  19   0.066   1.718 -17.521
  142   1HZ   LYS  19          HZ1       LYS  19   1.992   3.064 -18.051
  143   2HZ   LYS  19          HZ2       LYS  19   2.995   1.772 -17.847
  144   3HZ   LYS  19          HZ3       LYS  19   1.889   1.771 -19.063
  145    H    SER  20           H        SER  20   0.244   1.179 -10.665
  146    HA   SER  20           HA       SER  20   1.627   2.891  -8.786
  147   1HB   SER  20          HB2       SER  20  -1.316   2.894  -9.495
  148   2HB   SER  20          HB3       SER  20  -0.780   3.053  -7.824
  149    HG   SER  20           HG       SER  20   0.460   4.841  -8.379
  150    H    THR  21           H        THR  21   1.795   1.567  -6.965
  151    HA   THR  21           HA       THR  21  -0.022  -0.834  -6.741
  152    HB   THR  21           HB       THR  21   2.701  -0.320  -5.481
  153    HG1  THR  21           HG1      THR  21   2.642  -0.812  -7.736
  154   1HG2  THR  21          HG21      THR  21   1.117  -2.928  -5.502
  155   2HG2  THR  21          HG22      THR  21   2.558  -2.521  -4.536
  156   3HG2  THR  21          HG23      THR  21   1.014  -1.794  -4.139
  157    H    TRP  22           H        TRP  22  -1.708   0.638  -5.912
  158    HA   TRP  22           HA       TRP  22  -1.119   2.263  -3.542
  159   1HB   TRP  22          HB2       TRP  22  -3.578   1.824  -5.217
  160   2HB   TRP  22          HB3       TRP  22  -3.662   2.633  -3.686
  161    HD1  TRP  22           HD1      TRP  22  -0.548   3.353  -5.529
  162    HE1  TRP  22           HE1      TRP  22  -0.536   5.544  -6.700
  163    HE3  TRP  22           HE3      TRP  22  -5.313   4.680  -4.464
  164    HZ2  TRP  22           HZ2      TRP  22  -2.578   7.643  -7.350
  165    HZ3  TRP  22           HZ3      TRP  22  -6.359   6.645  -5.549
  166    HH2  TRP  22           HH2      TRP  22  -5.043   8.049  -7.107
  167    H    LEU  23           H        LEU  23  -1.906   1.769  -1.416
  168    HA   LEU  23           HA       LEU  23  -3.860  -0.364  -1.154
  169   1HB   LEU  23          HB2       LEU  23  -2.252  -1.137   0.946
  170   2HB   LEU  23          HB3       LEU  23  -2.542  -1.990  -0.494
  171    HG   LEU  23           HG       LEU  23  -0.319  -0.306  -1.107
  172   1HD1  LEU  23          HD11      LEU  23  -0.072  -1.812   1.530
  173   2HD1  LEU  23          HD12      LEU  23   1.272  -1.095   0.645
  174   3HD1  LEU  23          HD13      LEU  23   0.018  -0.041   1.337
  175   1HD2  LEU  23          HD21      LEU  23  -0.475  -3.279  -0.507
  176   2HD2  LEU  23          HD22      LEU  23  -0.718  -2.490  -2.081
  177   3HD2  LEU  23          HD23      LEU  23   0.870  -2.439  -1.312
  178    H    ILE  24           H        ILE  24  -4.778  -0.434   1.021
  179    HA   ILE  24           HA       ILE  24  -4.553   2.220   2.334
  180    HB   ILE  24           HB       ILE  24  -6.829   0.293   2.833
  181   1HG1  ILE  24          HG12      ILE  24  -7.160   2.521   0.836
  182   2HG1  ILE  24          HG13      ILE  24  -6.630   0.913   0.311
  183   1HG2  ILE  24          HG21      ILE  24  -8.012   2.250   3.578
  184   2HG2  ILE  24          HG22      ILE  24  -6.472   2.124   4.421
  185   3HG2  ILE  24          HG23      ILE  24  -6.662   3.289   3.096
  186   1HD1  ILE  24          HD11      ILE  24  -9.138   1.222   1.932
  187   2HD1  ILE  24          HD12      ILE  24  -9.089   1.213   0.153
  188   3HD1  ILE  24          HD13      ILE  24  -8.536  -0.195   1.069
  189    H    LEU  25           H        LEU  25  -3.631   2.407   4.144
  190    HA   LEU  25           HA       LEU  25  -3.424   0.108   6.058
  191   1HB   LEU  25          HB2       LEU  25  -1.252   1.685   4.796
  192   2HB   LEU  25          HB3       LEU  25  -1.099   1.355   6.522
  193    HG   LEU  25           HG       LEU  25  -1.229  -1.035   6.095
  194   1HD1  LEU  25          HD11      LEU  25  -0.811  -1.795   3.677
  195   2HD1  LEU  25          HD12      LEU  25  -2.446  -1.446   4.176
  196   3HD1  LEU  25          HD13      LEU  25  -1.551  -0.247   3.199
  197   1HD2  LEU  25          HD21      LEU  25   0.979  -1.269   4.947
  198   2HD2  LEU  25          HD22      LEU  25   0.840   0.393   4.354
  199   3HD2  LEU  25          HD23      LEU  25   0.991   0.085   6.097
  200    H    HIS  26           H        HIS  26  -5.087   0.970   7.286
  201    HA   HIS  26           HA       HIS  26  -6.023   2.196   8.944
  202   1HB   HIS  26          HB2       HIS  26  -3.522   3.903   9.181
  203   2HB   HIS  26          HB3       HIS  26  -4.762   3.594  10.385
  204    HD1  HIS  26           HD1      HIS  26  -4.449   1.356  11.838
  205    HD2  HIS  26           HD2      HIS  26  -1.629   2.038   8.787
  206    HE1  HIS  26           HE1      HIS  26  -2.495  -0.215  12.280
  207    H    TYR  27           H        TYR  27  -6.875   2.829   6.529
  208    HA   TYR  27           HA       TYR  27  -8.122   4.318   5.416
  209   1HB   TYR  27          HB2       TYR  27  -7.863   6.032   7.919
  210   2HB   TYR  27          HB3       TYR  27  -8.932   6.350   6.575
  211    HD1  TYR  27           HD1      TYR  27 -11.180   5.789   6.867
  212    HD2  TYR  27           HD2      TYR  27  -8.178   3.529   9.007
  213    HE1  TYR  27           HE1      TYR  27 -12.926   4.582   8.078
  214    HE2  TYR  27           HE2      TYR  27  -9.941   2.188  10.055
  215    HH   TYR  27           HH       TYR  27 -12.216   1.926  10.372
  216    H    LYS  28           H        LYS  28  -4.906   4.880   5.787
  217    HA   LYS  28           HA       LYS  28  -4.911   7.326   4.061
  218   1HB   LYS  28          HB2       LYS  28  -2.916   6.072   5.918
  219   2HB   LYS  28          HB3       LYS  28  -2.326   6.668   4.366
  220   1HG   LYS  28          HG2       LYS  28  -2.122   8.440   6.018
  221   2HG   LYS  28          HG3       LYS  28  -3.269   8.867   4.745
  222   1HD   LYS  28          HD2       LYS  28  -4.279   9.532   6.686
  223   2HD   LYS  28          HD3       LYS  28  -5.138   8.056   6.313
  224   1HE   LYS  28          HE2       LYS  28  -3.225   6.979   7.926
  225   2HE   LYS  28          HE3       LYS  28  -3.142   8.639   8.527
  226   1HZ   LYS  28          HZ1       LYS  28  -5.609   8.394   8.883
  227   2HZ   LYS  28          HZ2       LYS  28  -5.423   6.788   8.506
  228   3HZ   LYS  28          HZ3       LYS  28  -4.669   7.405   9.813
  229    H    VAL  29           H        VAL  29  -3.567   7.141   2.108
  230    HA   VAL  29           HA       VAL  29  -3.740   4.426   0.886
  231    HB   VAL  29           HB       VAL  29  -4.325   7.144  -0.286
  232   1HG1  VAL  29          HG11      VAL  29  -4.244   4.434  -1.649
  233   2HG1  VAL  29          HG12      VAL  29  -4.874   5.959  -2.325
  234   3HG1  VAL  29          HG13      VAL  29  -3.149   5.801  -1.952
  235   1HG2  VAL  29          HG21      VAL  29  -6.520   6.250  -0.616
  236   2HG2  VAL  29          HG22      VAL  29  -6.016   4.619  -0.112
  237   3HG2  VAL  29          HG23      VAL  29  -6.118   5.915   1.085
  238    H    TYR  30           H        TYR  30  -2.010   3.675  -0.049
  239    HA   TYR  30           HA       TYR  30   0.591   5.117   0.277
  240   1HB   TYR  30          HB2       TYR  30  -0.507   2.374   0.989
  241   2HB   TYR  30          HB3       TYR  30   1.181   2.666   1.022
  242    HD1  TYR  30           HD1      TYR  30  -2.148   3.564   2.474
  243    HD2  TYR  30           HD2      TYR  30   2.079   4.223   2.898
  244    HE1  TYR  30           HE1      TYR  30  -2.479   4.150   4.787
  245    HE2  TYR  30           HE2      TYR  30   1.689   4.910   5.272
  246    HH   TYR  30           HH       TYR  30  -1.442   4.252   6.836
  247    H    ASP  31           H        ASP  31   1.621   5.234  -1.770
  248    HA   ASP  31           HA       ASP  31   1.107   3.042  -3.721
  249   1HB   ASP  31          HB2       ASP  31   0.776   5.479  -4.461
  250   2HB   ASP  31          HB3       ASP  31   2.543   5.582  -4.441
  251    H    LEU  32           H        LEU  32   2.837   1.769  -4.347
  252    HA   LEU  32           HA       LEU  32   5.576   2.562  -3.772
  253   1HB   LEU  32          HB2       LEU  32   6.021   0.665  -2.144
  254   2HB   LEU  32          HB3       LEU  32   5.210   2.125  -1.665
  255    HG   LEU  32           HG       LEU  32   3.081   0.335  -2.335
  256   1HD1  LEU  32          HD11      LEU  32   3.516  -1.593  -0.904
  257   2HD1  LEU  32          HD12      LEU  32   4.777  -1.525  -2.154
  258   3HD1  LEU  32          HD13      LEU  32   5.128  -0.988  -0.485
  259   1HD2  LEU  32          HD21      LEU  32   3.227   2.116  -0.545
  260   2HD2  LEU  32          HD22      LEU  32   2.542   0.580   0.004
  261   3HD2  LEU  32          HD23      LEU  32   4.236   0.965   0.369
  262    H    THR  33           H        THR  33   4.696   2.126  -5.987
  263    HA   THR  33           HA       THR  33   4.955  -0.309  -7.411
  264    HB   THR  33           HB       THR  33   6.043   1.253  -9.195
  265    HG1  THR  33           HG1      THR  33   5.810   3.523  -8.522
  266   1HG2  THR  33          HG21      THR  33   3.506   2.256  -7.908
  267   2HG2  THR  33          HG22      THR  33   4.027   2.565  -9.572
  268   3HG2  THR  33          HG23      THR  33   3.585   0.913  -9.083
  269    H    LYS  34           H        LYS  34   7.539   1.816  -6.080
  270    HA   LYS  34           HA       LYS  34   9.672   0.219  -7.282
  271   1HB   LYS  34          HB2       LYS  34   9.695   2.296  -5.049
  272   2HB   LYS  34          HB3       LYS  34  11.128   1.505  -5.728
  273   1HG   LYS  34          HG2       LYS  34  10.493   2.352  -7.998
  274   2HG   LYS  34          HG3       LYS  34   9.164   3.272  -7.257
  275   1HD   LYS  34          HD2       LYS  34  10.797   4.476  -5.826
  276   2HD   LYS  34          HD3       LYS  34  12.122   3.513  -6.517
  277   1HE   LYS  34          HE2       LYS  34  11.596   4.436  -8.786
  278   2HE   LYS  34          HE3       LYS  34  10.319   5.438  -8.072
  279   1HZ   LYS  34          HZ1       LYS  34  12.017   6.540  -6.766
  280   2HZ   LYS  34          HZ2       LYS  34  13.195   5.602  -7.433
  281   3HZ   LYS  34          HZ3       LYS  34  12.354   6.659  -8.370
  282    H    PHE  35           H        PHE  35   7.912   0.217  -4.171
  283    HA   PHE  35           HA       PHE  35  10.074  -1.247  -2.885
  284   1HB   PHE  35          HB2       PHE  35   8.186   0.361  -1.793
  285   2HB   PHE  35          HB3       PHE  35   7.284  -1.150  -1.772
  286    HD1  PHE  35           HD1      PHE  35   7.841  -2.850  -0.091
  287    HD2  PHE  35           HD2      PHE  35  10.569   0.417  -0.787
  288    HE1  PHE  35           HE1      PHE  35   9.305  -3.615   1.755
  289    HE2  PHE  35           HE2      PHE  35  11.826  -0.189   1.239
  290    HZ   PHE  35           HZ       PHE  35  11.259  -2.259   2.465
  291    H    LEU  36           H        LEU  36   7.122  -2.027  -4.567
  292    HA   LEU  36           HA       LEU  36   6.751  -4.718  -4.497
  293   1HB   LEU  36          HB2       LEU  36   7.625  -3.053  -6.885
  294   2HB   LEU  36          HB3       LEU  36   6.949  -4.626  -7.041
  295    HG   LEU  36           HG       LEU  36   5.439  -2.203  -6.239
  296   1HD1  LEU  36          HD11      LEU  36   5.120  -4.488  -8.266
  297   2HD1  LEU  36          HD12      LEU  36   4.083  -3.067  -8.189
  298   3HD1  LEU  36          HD13      LEU  36   5.788  -2.891  -8.652
  299   1HD2  LEU  36          HD21      LEU  36   3.501  -3.876  -6.003
  300   2HD2  LEU  36          HD22      LEU  36   4.718  -5.126  -5.787
  301   3HD2  LEU  36          HD23      LEU  36   4.625  -3.779  -4.631
  302    H    GLU  37           H        GLU  37   9.739  -3.261  -5.904
  303    HA   GLU  37           HA       GLU  37  11.023  -5.783  -6.417
  304   1HB   GLU  37          HB2       GLU  37  12.066  -2.918  -6.127
  305   2HB   GLU  37          HB3       GLU  37  13.020  -4.266  -6.689
  306   1HG   GLU  37          HG2       GLU  37  10.451  -3.311  -8.062
  307   2HG   GLU  37          HG3       GLU  37  12.086  -2.826  -8.525
  308    H    GLU  38           H        GLU  38  11.359  -3.308  -3.908
  309    HA   GLU  38           HA       GLU  38  13.683  -4.401  -2.692
  310   1HB   GLU  38          HB2       GLU  38  12.727  -2.001  -2.757
  311   2HB   GLU  38          HB3       GLU  38  11.703  -2.487  -1.398
  312   1HG   GLU  38          HG2       GLU  38  13.746  -2.991  -0.079
  313   2HG   GLU  38          HG3       GLU  38  14.757  -2.554  -1.471
  314    H    HIS  39           HN       HIS  39  10.268  -4.866  -2.110
  315    HA   HIS  39           HA       HIS  39  10.184  -5.482   0.533
  316   1HB   HIS  39          HB2       HIS  39   8.291  -5.054  -0.983
  317   2HB   HIS  39          HB3       HIS  39   8.476  -6.654  -1.701
  318    HD1  HIS  39           HD1      HIS  39   6.235  -7.774  -0.810
  319    HD2  HIS  39           HD2      HIS  39   8.404  -5.554   2.047
  320    HE1  HIS  39           HE1      HIS  39   4.898  -7.806   1.323
  321    HA   PRO  40           HA       PRO  40  12.046  -9.669   0.885
  322   1HB   PRO  40          HB2       PRO  40  10.534  -9.282   3.492
  323   2HB   PRO  40          HB3       PRO  40  12.090 -10.117   3.238
  324   1HG   PRO  40          HG2       PRO  40  12.160  -7.587   4.119
  325   2HG   PRO  40          HG3       PRO  40  13.175  -7.990   2.707
  326   1HD   PRO  40          HD2       PRO  40  10.409  -6.751   2.713
  327   2HD   PRO  40          HD3       PRO  40  11.889  -6.164   1.881
  328    H    GLY  41           H        GLY  41   8.673  -8.755   1.764
  329   1HA   GLY  41          HA1       GLY  41   7.470 -11.334   1.441
  330   2HA   GLY  41          HA2       GLY  41   6.672  -9.793   1.360
  331    H    GLY  42           H        GLY  42   8.771  -9.098  -0.965
  332   1HA   GLY  42          HA1       GLY  42   8.915  -9.358  -3.229
  333   2HA   GLY  42          HA2       GLY  42   7.798 -10.732  -3.173
  334    H    GLU  43           H        GLU  43   7.574  -9.115  -5.204
  335    HA   GLU  43           HA       GLU  43   5.876  -6.832  -4.882
  336   1HB   GLU  43          HB2       GLU  43   7.358  -6.800  -6.656
  337   2HB   GLU  43          HB3       GLU  43   7.034  -8.398  -7.179
  338   1HG   GLU  43          HG2       GLU  43   4.739  -6.573  -7.526
  339   2HG   GLU  43          HG3       GLU  43   6.185  -6.371  -8.553
  340    H    GLU  44           H        GLU  44   5.130  -9.870  -6.639
  341    HA   GLU  44           HA       GLU  44   2.710 -10.134  -6.865
  342   1HB   GLU  44          HB2       GLU  44   4.128 -12.257  -5.184
  343   2HB   GLU  44          HB3       GLU  44   2.622 -12.493  -6.079
  344   1HG   GLU  44          HG2       GLU  44   3.850 -11.871  -8.195
  345   2HG   GLU  44          HG3       GLU  44   5.356 -11.868  -7.263
  346    H    VAL  45           H        VAL  45   3.768 -10.688  -3.456
  347    HA   VAL  45           HA       VAL  45   1.139 -10.969  -2.452
  348    HB   VAL  45           HB       VAL  45   1.986 -11.009  -0.301
  349   1HG1  VAL  45          HG11      VAL  45   2.899 -12.808  -1.786
  350   2HG1  VAL  45          HG12      VAL  45   4.374 -11.827  -1.990
  351   3HG1  VAL  45          HG13      VAL  45   3.940 -12.435  -0.392
  352   1HG2  VAL  45          HG21      VAL  45   3.150  -8.869  -0.095
  353   2HG2  VAL  45          HG22      VAL  45   4.196 -10.192   0.424
  354   3HG2  VAL  45          HG23      VAL  45   4.439  -9.452  -1.171
  355    H    LEU  46           H        LEU  46   3.128  -8.067  -2.934
  356    HA   LEU  46           HA       LEU  46   1.354  -6.303  -1.431
  357   1HB   LEU  46          HB2       LEU  46   3.492  -5.747  -3.529
  358   2HB   LEU  46          HB3       LEU  46   2.606  -4.504  -2.651
  359    HG   LEU  46           HG       LEU  46   4.275  -6.639  -1.260
  360   1HD1  LEU  46          HD11      LEU  46   5.040  -3.860  -2.226
  361   2HD1  LEU  46          HD12      LEU  46   5.945  -4.739  -0.986
  362   3HD1  LEU  46          HD13      LEU  46   5.806  -5.418  -2.615
  363   1HD2  LEU  46          HD21      LEU  46   4.258  -4.969   0.590
  364   2HD2  LEU  46          HD22      LEU  46   3.116  -3.972  -0.332
  365   3HD2  LEU  46          HD23      LEU  46   2.644  -5.593   0.225
  366    H    ARG  47           H        ARG  47   1.776  -7.339  -4.833
  367    HA   ARG  47           HA       ARG  47  -0.115  -5.445  -5.891
  368   1HB   ARG  47          HB2       ARG  47   1.035  -8.033  -6.941
  369   2HB   ARG  47          HB3       ARG  47  -0.238  -7.152  -7.802
  370   1HG   ARG  47          HG2       ARG  47   1.174  -5.130  -7.921
  371   2HG   ARG  47          HG3       ARG  47   2.427  -5.941  -6.960
  372   1HD   ARG  47          HD2       ARG  47   3.004  -6.082  -9.350
  373   2HD   ARG  47          HD3       ARG  47   2.652  -7.674  -8.636
  374    HE   ARG  47           HE       ARG  47   0.329  -6.464  -9.870
  375   1HH1  ARG  47          HH22      ARG  47   3.298  -8.257 -10.624
  376   2HH1  ARG  47          HH21      ARG  47   2.570  -9.293 -11.804
  377   1HH2  ARG  47          HH11      ARG  47  -0.658  -7.769 -11.499
  378   2HH2  ARG  47          HH12      ARG  47   0.283  -8.925 -12.390
  379    H    GLU  48           H        GLU  48  -0.384  -8.844  -4.930
  380    HA   GLU  48           HA       GLU  48  -3.018  -9.473  -5.490
  381   1HB   GLU  48          HB2       GLU  48  -1.379 -11.043  -4.680
  382   2HB   GLU  48          HB3       GLU  48  -1.153 -10.137  -3.188
  383   1HG   GLU  48          HG2       GLU  48  -2.426 -12.177  -2.773
  384   2HG   GLU  48          HG3       GLU  48  -3.473 -10.790  -2.477
  385    H    GLN  49           H        GLN  49  -1.760  -7.777  -2.582
  386    HA   GLN  49           HA       GLN  49  -4.484  -7.259  -1.566
  387   1HB   GLN  49          HB2       GLN  49  -1.737  -6.295  -0.666
  388   2HB   GLN  49          HB3       GLN  49  -3.262  -6.056   0.193
  389   1HG   GLN  49          HG2       GLN  49  -2.006  -8.784  -0.400
  390   2HG   GLN  49          HG3       GLN  49  -1.892  -7.888   1.116
  391   1HE2  GLN  49          HE21      GLN  49  -4.302  -9.429  -1.092
  392   2HE2  GLN  49          HE22      GLN  49  -5.435  -9.778   0.196
  393    H    ALA  50           H        ALA  50  -2.073  -5.540  -3.421
  394    HA   ALA  50           HA       ALA  50  -2.824  -2.933  -2.864
  395   1HB   ALA  50          HB1       ALA  50  -1.773  -4.020  -5.510
  396   2HB   ALA  50          HB2       ALA  50  -1.750  -2.322  -5.031
  397   3HB   ALA  50          HB3       ALA  50  -0.773  -3.495  -4.136
  398    H    GLY  51           H        GLY  51  -3.977  -1.375  -4.018
  399   1HA   GLY  51          HA1       GLY  51  -6.079  -0.639  -4.367
  400   2HA   GLY  51          HA2       GLY  51  -6.178  -1.743  -5.769
  401    H    GLY  52           H        GLY  52  -5.667  -1.939  -2.185
  402   1HA   GLY  52          HA1       GLY  52  -8.367  -2.307  -1.588
  403   2HA   GLY  52          HA2       GLY  52  -7.527  -3.893  -1.540
  404    H    ASP  53           H        ASP  53  -8.319  -3.279   0.654
  405    HA   ASP  53           HA       ASP  53  -6.516  -1.636   2.283
  406   1HB   ASP  53          HB2       ASP  53  -9.069  -1.835   2.676
  407   2HB   ASP  53          HB3       ASP  53  -8.719  -3.427   3.366
  408    H    ALA  54           H        ALA  54  -4.757  -2.313   3.248
  409    HA   ALA  54           HA       ALA  54  -4.479  -5.250   3.830
  410   1HB   ALA  54          HB1       ALA  54  -2.184  -5.189   3.187
  411   2HB   ALA  54          HB2       ALA  54  -3.147  -4.588   1.822
  412   3HB   ALA  54          HB3       ALA  54  -2.249  -3.447   2.829
  413    H    THR  55           H        THR  55  -5.381  -2.805   5.450
  414    HA   THR  55           HA       THR  55  -3.237  -2.034   7.125
  415    HB   THR  55           HB       THR  55  -6.166  -2.248   7.979
  416    HG1  THR  55           HG1      THR  55  -6.117  -1.135   6.063
  417   1HG2  THR  55          HG21      THR  55  -3.842  -0.423   8.716
  418   2HG2  THR  55          HG22      THR  55  -5.510  -0.245   9.323
  419   3HG2  THR  55          HG23      THR  55  -4.547  -1.667   9.768
  420    H    GLU  56           H        GLU  56  -5.749  -4.556   7.664
  421    HA   GLU  56           HA       GLU  56  -4.826  -5.453  10.162
  422   1HB   GLU  56          HB2       GLU  56  -7.101  -5.795   9.136
  423   2HB   GLU  56          HB3       GLU  56  -6.401  -6.934   7.978
  424   1HG   GLU  56          HG2       GLU  56  -5.779  -8.437   9.828
  425   2HG   GLU  56          HG3       GLU  56  -6.361  -7.248  11.010
  426    H    ASN  57           H        ASN  57  -4.379  -6.766   6.847
  427    HA   ASN  57           HA       ASN  57  -2.633  -8.831   7.385
  428   1HB   ASN  57          HB2       ASN  57  -3.723  -8.203   5.209
  429   2HB   ASN  57          HB3       ASN  57  -2.466  -6.981   4.967
  430   1HD2  ASN  57          HD21      ASN  57  -2.981  -9.181   3.181
  431   2HD2  ASN  57          HD22      ASN  57  -1.567 -10.231   3.245
  432    H    PHE  58           H        PHE  58  -1.660  -5.428   6.668
  433    HA   PHE  58           HA       PHE  58   1.126  -5.765   6.862
  434   1HB   PHE  58          HB2       PHE  58  -0.018  -3.768   5.989
  435   2HB   PHE  58          HB3       PHE  58  -0.616  -3.377   7.590
  436    HD1  PHE  58           HD1      PHE  58   2.555  -3.859   5.644
  437    HD2  PHE  58           HD2      PHE  58   0.663  -1.950   9.017
  438    HE1  PHE  58           HE1      PHE  58   4.430  -2.231   5.783
  439    HE2  PHE  58           HE2      PHE  58   2.506  -0.318   9.125
  440    HZ   PHE  58           HZ       PHE  58   4.390  -0.434   7.493
  441    H    GLU  59           H        GLU  59  -1.175  -4.702   9.415
  442    HA   GLU  59           HA       GLU  59   0.748  -4.566  11.515
  443   1HB   GLU  59          HB2       GLU  59  -2.280  -4.909  11.459
  444   2HB   GLU  59          HB3       GLU  59  -1.344  -4.604  12.918
  445   1HG   GLU  59          HG2       GLU  59  -1.369  -2.740  10.470
  446   2HG   GLU  59          HG3       GLU  59  -2.376  -2.556  11.907
  447    H    ASP  60           H        ASP  60  -1.225  -7.176  10.302
  448    HA   ASP  60           HA       ASP  60  -1.073  -9.002  12.489
  449   1HB   ASP  60          HB2       ASP  60  -2.789  -9.070  10.616
  450   2HB   ASP  60          HB3       ASP  60  -1.492  -9.534   9.512
  451    H    HIS  61           H        HIS  61   0.720  -8.597   9.464
  452    HA   HIS  61           HA       HIS  61   2.764 -10.596   9.995
  453   1HB   HIS  61          HB2       HIS  61   2.616  -8.162   8.187
  454   2HB   HIS  61          HB3       HIS  61   4.101  -9.107   8.348
  455    HD1  HIS  61           HD1      HIS  61   2.988 -12.034   8.234
  456    HD2  HIS  61           HD2      HIS  61   1.903  -8.824   5.746
  457    HE1  HIS  61           HE1      HIS  61   2.265 -13.047   6.006
  458    H    GLY  62           H        GLY  62   2.450  -7.108  10.703
  459   1HA   GLY  62          HA1       GLY  62   3.170  -6.526  13.001
  460   2HA   GLY  62          HA2       GLY  62   4.684  -7.383  12.716
  461    H    HIS  63           HN       HIS  63   5.726  -6.699  10.533
  462    HA   HIS  63           HA       HIS  63   6.880  -5.221   9.357
  463   1HB   HIS  63          HB2       HIS  63   4.232  -3.778   9.495
  464   2HB   HIS  63          HB3       HIS  63   5.627  -3.075   8.680
  465    HD1  HIS  63           HD1      HIS  63   3.179  -5.950   8.261
  466    HD2  HIS  63           HD2      HIS  63   6.693  -4.364   6.596
  467    HE1  HIS  63           HE1      HIS  63   3.472  -7.071   5.982
  468    H    SER  64           H        SER  64   8.684  -4.491  10.212
  469    HA   SER  64           HA       SER  64   8.752  -3.207  12.702
  470   1HB   SER  64          HB2       SER  64  10.636  -4.456  11.465
  471   2HB   SER  64          HB3       SER  64  10.985  -2.902  10.680
  472    HG   SER  64           HG       SER  64  11.086  -3.590  13.428
  473    H    THR  65           H        THR  65  10.069  -1.125  13.048
  474    HA   THR  65           HA       THR  65   8.428   1.161  12.660
  475    HB   THR  65           HB       THR  65  10.894   2.178  13.200
  476    HG1  THR  65           HG1      THR  65  12.088   0.234  12.703
  477   1HG2  THR  65          HG21      THR  65   9.068   2.018  14.857
  478   2HG2  THR  65          HG22      THR  65   9.441   0.298  15.117
  479   3HG2  THR  65          HG23      THR  65  10.622   1.544  15.573
  480    H    ASP  66           H        ASP  66  11.315   0.024  10.953
  481    HA   ASP  66           HA       ASP  66  11.754   2.142   9.291
  482   1HB   ASP  66          HB2       ASP  66  12.250  -0.828   8.775
  483   2HB   ASP  66          HB3       ASP  66  13.142   0.531   8.077
  484    H    ALA  67           H        ALA  67   9.655  -0.692   8.748
  485    HA   ALA  67           HA       ALA  67   8.867  -0.014   6.066
  486   1HB   ALA  67          HB1       ALA  67   7.104  -1.714   6.434
  487   2HB   ALA  67          HB2       ALA  67   8.695  -2.324   6.936
  488   3HB   ALA  67          HB3       ALA  67   7.524  -1.790   8.153
  489    H    ARG  68           H        ARG  68   7.505   0.418   9.321
  490    HA   ARG  68           HA       ARG  68   5.162   1.872   8.719
  491   1HB   ARG  68          HB2       ARG  68   6.921   1.372  11.021
  492   2HB   ARG  68          HB3       ARG  68   6.259   2.961  11.120
  493   1HG   ARG  68          HG2       ARG  68   4.660   1.721  12.234
  494   2HG   ARG  68          HG3       ARG  68   3.940   1.669  10.622
  495   1HD   ARG  68          HD2       ARG  68   5.091  -0.579  10.287
  496   2HD   ARG  68          HD3       ARG  68   5.764  -0.415  11.894
  497    HE   ARG  68           HE       ARG  68   2.781  -0.606  11.390
  498   1HH1  ARG  68          HH22      ARG  68   5.483  -2.220  12.842
  499   2HH1  ARG  68          HH21      ARG  68   4.653  -2.704  14.275
  500   1HH2  ARG  68          HH11      ARG  68   1.576  -1.589  12.997
  501   2HH2  ARG  68          HH12      ARG  68   2.309  -2.443  14.295
  502    H    GLU  69           H        GLU  69   8.469   3.123   9.233
  503    HA   GLU  69           HA       GLU  69   7.983   5.849   8.790
  504   1HB   GLU  69          HB2       GLU  69  10.084   4.556   9.703
  505   2HB   GLU  69          HB3       GLU  69  10.580   4.471   8.015
  506   1HG   GLU  69          HG2       GLU  69  11.630   6.375   9.080
  507   2HG   GLU  69          HG3       GLU  69  10.443   6.984   7.915
  508    H    LEU  70           H        LEU  70   9.172   3.327   6.539
  509    HA   LEU  70           HA       LEU  70   9.108   4.816   4.206
  510   1HB   LEU  70          HB2       LEU  70   9.220   1.974   4.892
  511   2HB   LEU  70          HB3       LEU  70   8.098   2.156   3.608
  512    HG   LEU  70           HG       LEU  70  10.101   1.764   2.527
  513   1HD1  LEU  70          HD11      LEU  70   8.993   4.084   1.874
  514   2HD1  LEU  70          HD12      LEU  70  10.495   4.760   2.521
  515   3HD1  LEU  70          HD13      LEU  70  10.564   3.603   1.186
  516   1HD2  LEU  70          HD21      LEU  70  11.484   3.641   4.480
  517   2HD2  LEU  70          HD22      LEU  70  11.540   1.863   4.482
  518   3HD2  LEU  70          HD23      LEU  70  12.273   2.769   3.143
  519    H    SER  71           H        SER  71   6.398   3.307   5.880
  520    HA   SER  71           HA       SER  71   4.418   3.712   3.847
  521   1HB   SER  71          HB2       SER  71   4.537   2.652   6.523
  522   2HB   SER  71          HB3       SER  71   3.269   3.866   6.513
  523    HG   SER  71           HG       SER  71   2.340   2.688   4.775
  524    H    LYS  72           H        LYS  72   5.672   5.872   6.385
  525    HA   LYS  72           HA       LYS  72   3.828   8.057   5.877
  526   1HB   LYS  72          HB2       LYS  72   6.781   8.402   6.511
  527   2HB   LYS  72          HB3       LYS  72   5.437   9.485   6.854
  528   1HG   LYS  72          HG2       LYS  72   4.524   7.816   8.452
  529   2HG   LYS  72          HG3       LYS  72   5.909   6.755   8.136
  530   1HD   LYS  72          HD2       LYS  72   7.452   8.602   8.747
  531   2HD   LYS  72          HD3       LYS  72   6.079   9.595   9.263
  532   1HE   LYS  72          HE2       LYS  72   5.560   8.051  11.088
  533   2HE   LYS  72          HE3       LYS  72   6.638   6.823  10.409
  534   1HZ   LYS  72          HZ1       LYS  72   8.333   8.817  10.722
  535   2HZ   LYS  72          HZ2       LYS  72   7.404   9.000  12.100
  536   3HZ   LYS  72          HZ3       LYS  72   8.194   7.580  11.656
  537    H    THR  73           H        THR  73   7.045   7.286   4.557
  538    HA   THR  73           HA       THR  73   7.265   9.319   2.680
  539    HB   THR  73           HB       THR  73   8.290   6.505   2.167
  540    HG1  THR  73           HG1      THR  73   9.911   7.014   3.682
  541   1HG2  THR  73          HG21      THR  73   8.858   8.245   0.499
  542   2HG2  THR  73          HG22      THR  73   9.559   9.246   1.792
  543   3HG2  THR  73          HG23      THR  73  10.285   7.675   1.387
  544    H    PHE  74           H        PHE  74   5.690   6.136   2.288
  545    HA   PHE  74           HA       PHE  74   4.957   6.576  -0.492
  546   1HB   PHE  74          HB2       PHE  74   3.852   4.633   1.539
  547   2HB   PHE  74          HB3       PHE  74   3.686   4.506  -0.205
  548    HD1  PHE  74           HD1      PHE  74   4.857   2.556   1.965
  549    HD2  PHE  74           HD2      PHE  74   6.559   5.108  -1.067
  550    HE1  PHE  74           HE1      PHE  74   6.698   0.980   1.639
  551    HE2  PHE  74           HE2      PHE  74   8.574   3.664  -1.135
  552    HZ   PHE  74           HZ       PHE  74   8.706   1.668   0.377
  553    H    ILE  75           H        ILE  75   3.531   7.849   2.393
  554    HA   ILE  75           HA       ILE  75   0.802   7.772   1.637
  555    HB   ILE  75           HB       ILE  75   2.383   9.977   3.012
  556   1HG1  ILE  75          HG12      ILE  75   2.096   8.021   4.397
  557   2HG1  ILE  75          HG13      ILE  75   1.051   9.346   4.946
  558   1HG2  ILE  75          HG21      ILE  75   0.139  10.957   3.651
  559   2HG2  ILE  75          HG22      ILE  75   0.610  11.208   1.979
  560   3HG2  ILE  75          HG23      ILE  75  -0.592   9.966   2.373
  561   1HD1  ILE  75          HD11      ILE  75  -0.155   7.316   5.139
  562   2HD1  ILE  75          HD12      ILE  75  -0.879   8.279   3.831
  563   3HD1  ILE  75          HD13      ILE  75   0.138   6.872   3.453
  564    H    ILE  76           H        ILE  76  -0.260   8.319  -0.046
  565    HA   ILE  76           HA       ILE  76   0.693  10.610  -1.750
  566    HB   ILE  76           HB       ILE  76  -0.603   9.388  -3.555
  567   1HG1  ILE  76          HG12      ILE  76  -0.160   6.917  -1.846
  568   2HG1  ILE  76          HG13      ILE  76  -1.682   7.814  -1.707
  569   1HG2  ILE  76          HG21      ILE  76   1.902   8.074  -2.441
  570   2HG2  ILE  76          HG22      ILE  76   1.295   7.921  -4.097
  571   3HG2  ILE  76          HG23      ILE  76   1.837   9.493  -3.497
  572   1HD1  ILE  76          HD11      ILE  76  -0.819   7.092  -4.465
  573   2HD1  ILE  76          HD12      ILE  76  -1.418   5.805  -3.388
  574   3HD1  ILE  76          HD13      ILE  76  -2.440   7.200  -3.750
  575    H    GLY  77           H        GLY  77  -1.923   9.495   0.314
  576   1HA   GLY  77          HA1       GLY  77  -3.628  11.630   0.096
  577   2HA   GLY  77          HA2       GLY  77  -4.073  10.604  -1.282
  578    H    GLU  78           H        GLU  78  -6.255  10.331   0.159
  579    HA   GLU  78           HA       GLU  78  -5.745   8.257   2.199
  580   1HB   GLU  78          HB2       GLU  78  -7.658  10.647   2.202
  581   2HB   GLU  78          HB3       GLU  78  -7.208   9.579   3.574
  582   1HG   GLU  78          HG2       GLU  78  -6.104  11.565   4.053
  583   2HG   GLU  78          HG3       GLU  78  -4.851  10.483   3.442
  584    H    LEU  79           H        LEU  79  -7.644   7.171   2.944
  585    HA   LEU  79           HA       LEU  79  -9.194   5.981   0.759
  586   1HB   LEU  79          HB2       LEU  79  -8.431   4.658   2.718
  587   2HB   LEU  79          HB3       LEU  79  -9.240   5.803   3.791
  588    HG   LEU  79           HG       LEU  79 -11.474   5.138   2.732
  589   1HD1  LEU  79          HD11      LEU  79  -9.651   3.427   1.173
  590   2HD1  LEU  79          HD12      LEU  79 -10.948   2.545   2.002
  591   3HD1  LEU  79          HD13      LEU  79 -11.349   3.862   0.889
  592   1HD2  LEU  79          HD21      LEU  79 -10.060   2.959   4.209
  593   2HD2  LEU  79          HD22      LEU  79 -10.586   4.489   4.949
  594   3HD2  LEU  79          HD23      LEU  79 -11.792   3.456   4.221
  595    H    HIS  80           H        HIS  80 -10.784   7.282  -0.167
  596    HA   HIS  80           HA       HIS  80 -11.974   9.260   1.267
  597   1HB   HIS  80          HB2       HIS  80 -12.059   9.019  -1.222
  598   2HB   HIS  80          HB3       HIS  80 -13.266   7.727  -1.003
  599    HD1  HIS  80           HD1      HIS  80 -15.787   8.698  -0.507
  600    HD2  HIS  80           HD2      HIS  80 -12.619  11.428  -0.263
  601    HE1  HIS  80           HE1      HIS  80 -16.815  10.929   0.195
  602    HA   PRO  81           HA       PRO  81 -14.347   7.082   4.147
  603   1HB   PRO  81          HB2       PRO  81 -16.008   9.703   4.015
  604   2HB   PRO  81          HB3       PRO  81 -15.718   8.710   5.442
  605   1HG   PRO  81          HG2       PRO  81 -14.161  10.953   4.851
  606   2HG   PRO  81          HG3       PRO  81 -13.308   9.447   5.354
  607   1HD   PRO  81          HD2       PRO  81 -13.755  10.544   2.576
  608   2HD   PRO  81          HD3       PRO  81 -12.344   9.723   3.310
  609    H    ASP  82           H        ASP  82 -15.834   7.997   1.379
  610    HA   ASP  82           HA       ASP  82 -18.510   7.103   1.856
  611   1HB   ASP  82          HB2       ASP  82 -17.853   8.207  -0.282
  612   2HB   ASP  82          HB3       ASP  82 -16.752   6.851  -0.654
  613    H    ASP  83           H        ASP  83 -15.366   5.610   1.457
  614    HA   ASP  83           HA       ASP  83 -15.929   2.876   1.481
  615   1HB   ASP  83          HB2       ASP  83 -13.783   4.296   1.203
  616   2HB   ASP  83          HB3       ASP  83 -13.611   4.368   2.881
  617    H    ARG  84           H        ARG  84 -15.054   4.969   4.322
  618    HA   ARG  84           HA       ARG  84 -16.728   3.502   6.203
  619   1HB   ARG  84          HB2       ARG  84 -13.676   3.413   6.175
  620   2HB   ARG  84          HB3       ARG  84 -14.672   2.997   7.585
  621   1HG   ARG  84          HG2       ARG  84 -15.658   1.117   6.401
  622   2HG   ARG  84          HG3       ARG  84 -14.746   1.540   4.910
  623   1HD   ARG  84          HD2       ARG  84 -13.208   1.067   7.464
  624   2HD   ARG  84          HD3       ARG  84 -13.752  -0.297   6.445
  625    HE   ARG  84           HE       ARG  84 -12.802   1.565   4.655
  626   1HH1  ARG  84          HH22      ARG  84 -11.083  -0.306   7.178
  627   2HH1  ARG  84          HH21      ARG  84  -9.786  -0.635   6.002
  628   1HH2  ARG  84          HH11      ARG  84 -11.368   0.903   3.315
  629   2HH2  ARG  84          HH12      ARG  84  -9.883   0.027   3.914
  630    HHA  HEM 201           HGM      HEM 201   9.087  -8.913   6.099
  631    HHB  HEM 201           HDM      HEM 201   9.033  -2.833   4.284
  632    HHC  HEM 201           HAM      HEM 201   2.767  -3.360   2.786
  633    HHD  HEM 201           HBM      HEM 201   3.270  -9.788   3.336
  634   1HMA  HEM 201          HM81      HEM 201  10.735  -3.249   5.986
  635   2HMA  HEM 201          HM82      HEM 201  11.913  -4.552   6.101
  636   3HMA  HEM 201          HM83      HEM 201  11.517  -3.874   4.515
  637   1HAA  HEM 201          HP71      HEM 201  10.989  -8.246   6.444
  638   2HAA  HEM 201          HP72      HEM 201  12.034  -6.784   6.208
  639   1HBA  HEM 201          HP73      HEM 201  11.264  -5.785   8.090
  640   2HBA  HEM 201          HP74      HEM 201  11.626  -7.517   8.591
  641   1HMB  HEM 201          HM11      HEM 201   6.778   0.067   3.659
  642   2HMB  HEM 201          HM12      HEM 201   8.187  -0.839   4.145
  643   3HMB  HEM 201          HM13      HEM 201   7.869  -0.653   2.431
  644    HAB  HEM 201          HT2A      HEM 201   3.755  -1.499   1.577
  645   1HBB  HEM 201          HV2C      HEM 201   4.595   0.471   3.699
  646   2HBB  HEM 201          HV2T      HEM 201   2.916   0.301   2.843
  647   1HMC  HEM 201          HM31      HEM 201   0.487  -4.507   3.486
  648   2HMC  HEM 201          HM32      HEM 201   0.768  -4.606   1.728
  649   3HMC  HEM 201          HM33      HEM 201  -0.165  -5.875   2.547
  650    HAC  HEM 201          HT4A      HEM 201   0.779  -9.096   3.399
  651   1HBC  HEM 201          HV4C      HEM 201   0.828  -7.836   0.621
  652   2HBC  HEM 201          HV4T      HEM 201   0.272  -9.556   1.089
  653   1HMD  HEM 201          HM51      HEM 201   4.010 -11.761   3.861
  654   2HMD  HEM 201          HM52      HEM 201   5.581 -12.306   3.271
  655   3HMD  HEM 201          HM53      HEM 201   5.152 -12.504   4.985
  656   1HAD  HEM 201          HP61      HEM 201   7.614 -12.347   4.892
  657   2HAD  HEM 201          HP62      HEM 201   8.891 -11.119   5.322
  658   1HBD  HEM 201          HP63      HEM 201   8.015 -10.951   7.571
  659   2HBD  HEM 201          HP64      HEM 201   6.632 -12.081   7.134
  Start of MODEL   26
    1   1H    ALA   3          H1        ALA   3  -3.753  19.827   1.272
    2   2H    ALA   3          H2        ALA   3  -5.111  20.238   0.472
    3   3H    ALA   3          H3        ALA   3  -4.478  21.307   1.583
    4    HA   ALA   3           HA       ALA   3  -5.001  19.921   3.376
    5   1HB   ALA   3          HB1       ALA   3  -7.014  21.054   2.365
    6   2HB   ALA   3          HB2       ALA   3  -7.302  19.603   1.381
    7   3HB   ALA   3          HB3       ALA   3  -7.420  19.525   3.153
    8    H    VAL   4           H        VAL   4  -6.734  17.562   3.275
    9    HA   VAL   4           HA       VAL   4  -4.970  15.447   2.336
   10    HB   VAL   4           HB       VAL   4  -6.898  13.992   2.777
   11   1HG1  VAL   4          HG11      VAL   4  -7.027  14.279   5.164
   12   2HG1  VAL   4          HG12      VAL   4  -5.382  14.637   4.615
   13   3HG1  VAL   4          HG13      VAL   4  -6.483  15.966   5.049
   14   1HG2  VAL   4          HG21      VAL   4  -8.476  16.517   3.380
   15   2HG2  VAL   4          HG22      VAL   4  -8.761  15.333   2.078
   16   3HG2  VAL   4          HG23      VAL   4  -8.953  14.859   3.770
   17    H    LYS   5           H        LYS   5  -6.092  13.821   0.677
   18    HA   LYS   5           HA       LYS   5  -6.824  15.425  -1.769
   19   1HB   LYS   5          HB2       LYS   5  -4.530  14.360  -1.625
   20   2HB   LYS   5          HB3       LYS   5  -5.388  12.808  -1.718
   21   1HG   LYS   5          HG2       LYS   5  -6.583  13.776  -3.795
   22   2HG   LYS   5          HG3       LYS   5  -5.450  15.135  -3.741
   23   1HD   LYS   5          HD2       LYS   5  -4.663  12.229  -3.773
   24   2HD   LYS   5          HD3       LYS   5  -4.899  13.150  -5.273
   25   1HE   LYS   5          HE2       LYS   5  -3.034  14.567  -4.839
   26   2HE   LYS   5          HE3       LYS   5  -2.879  14.036  -3.155
   27   1HZ   LYS   5          HZ1       LYS   5  -2.042  12.008  -3.787
   28   2HZ   LYS   5          HZ2       LYS   5  -2.534  12.143  -5.367
   29   3HZ   LYS   5          HZ3       LYS   5  -1.277  13.056  -4.788
   30    H    TYR   6           H        TYR   6  -7.215  12.469   0.138
   31    HA   TYR   6           HA       TYR   6  -8.445  10.649  -0.196
   32   1HB   TYR   6          HB2       TYR   6 -10.728  12.678   0.061
   33   2HB   TYR   6          HB3       TYR   6 -10.667  10.895  -0.007
   34    HD1  TYR   6           HD1      TYR   6 -10.429  13.559   2.441
   35    HD2  TYR   6           HD2      TYR   6  -9.784   9.462   1.450
   36    HE1  TYR   6           HE1      TYR   6 -10.208  12.999   4.856
   37    HE2  TYR   6           HE2      TYR   6  -9.491   8.859   3.732
   38    HH   TYR   6           HH       TYR   6  -9.780  11.336   6.410
   39    H    TYR   7           H        TYR   7  -7.589  10.224  -2.018
   40    HA   TYR   7           HA       TYR   7  -8.790   9.809  -4.490
   41   1HB   TYR   7          HB2       TYR   7  -6.975   8.534  -2.462
   42   2HB   TYR   7          HB3       TYR   7  -7.702   7.402  -3.399
   43    HD1  TYR   7           HD1      TYR   7  -4.835   8.823  -2.857
   44    HD2  TYR   7           HD2      TYR   7  -7.570   9.054  -6.165
   45    HE1  TYR   7           HE1      TYR   7  -3.310  10.325  -4.030
   46    HE2  TYR   7           HE2      TYR   7  -6.006  10.544  -7.350
   47    HH   TYR   7           HH       TYR   7  -3.819  11.358  -7.394
   48    H    THR   8           H        THR   8 -10.335   8.441  -5.211
   49    HA   THR   8           HA       THR   8 -12.260   7.438  -3.245
   50    HB   THR   8           HB       THR   8 -13.558   7.076  -5.417
   51    HG1  THR   8           HG1      THR   8 -12.558   8.200  -7.219
   52   1HG2  THR   8          HG21      THR   8 -13.713   9.135  -3.993
   53   2HG2  THR   8          HG22      THR   8 -12.378   9.855  -4.929
   54   3HG2  THR   8          HG23      THR   8 -13.926   9.497  -5.724
   55    H    LEU   9           H        LEU   9 -12.943   5.227  -3.260
   56    HA   LEU   9           HA       LEU   9 -11.098   3.169  -3.611
   57   1HB   LEU   9          HB2       LEU   9 -12.745   2.636  -2.348
   58   2HB   LEU   9          HB3       LEU   9 -14.043   3.382  -3.267
   59    HG   LEU   9           HG       LEU   9 -12.627   0.830  -4.189
   60   1HD1  LEU   9          HD11      LEU   9 -13.348   0.434  -1.886
   61   2HD1  LEU   9          HD12      LEU   9 -14.977   1.027  -2.268
   62   3HD1  LEU   9          HD13      LEU   9 -14.366  -0.468  -3.017
   63   1HD2  LEU   9          HD21      LEU   9 -14.873   0.350  -5.202
   64   2HD2  LEU   9          HD22      LEU   9 -15.452   1.928  -4.640
   65   3HD2  LEU   9          HD23      LEU   9 -14.175   1.818  -5.870
   66    H    GLU  10           H        GLU  10 -13.376   4.511  -5.967
   67    HA   GLU  10           HA       GLU  10 -13.036   2.967  -8.201
   68   1HB   GLU  10          HB2       GLU  10 -14.350   5.097  -8.002
   69   2HB   GLU  10          HB3       GLU  10 -12.853   6.018  -8.096
   70   1HG   GLU  10          HG2       GLU  10 -13.929   6.021 -10.257
   71   2HG   GLU  10          HG3       GLU  10 -12.431   5.093 -10.376
   72    H    GLU  11           H        GLU  11 -10.817   5.610  -7.184
   73    HA   GLU  11           HA       GLU  11  -8.860   4.938  -9.217
   74   1HB   GLU  11          HB2       GLU  11  -8.969   6.864  -6.870
   75   2HB   GLU  11          HB3       GLU  11  -7.401   6.366  -7.388
   76   1HG   GLU  11          HG2       GLU  11  -9.437   7.621  -9.253
   77   2HG   GLU  11          HG3       GLU  11  -8.149   8.484  -8.396
   78    H    ILE  12           H        ILE  12  -9.148   4.347  -5.712
   79    HA   ILE  12           HA       ILE  12  -6.559   3.375  -5.485
   80    HB   ILE  12           HB       ILE  12  -8.977   2.717  -3.764
   81   1HG1  ILE  12          HG12      ILE  12  -6.658   4.579  -3.093
   82   2HG1  ILE  12          HG13      ILE  12  -7.988   5.178  -4.082
   83   1HG2  ILE  12          HG21      ILE  12  -6.046   2.150  -3.270
   84   2HG2  ILE  12          HG22      ILE  12  -7.280   2.180  -1.991
   85   3HG2  ILE  12          HG23      ILE  12  -7.417   1.009  -3.295
   86   1HD1  ILE  12          HD11      ILE  12  -8.409   5.782  -1.823
   87   2HD1  ILE  12          HD12      ILE  12  -9.588   4.534  -2.263
   88   3HD1  ILE  12          HD13      ILE  12  -8.179   4.121  -1.253
   89    H    GLN  13           H        GLU  13  -9.480   1.549  -6.337
   90    HA   GLN  13           HA       GLU  13  -8.258  -1.057  -6.127
   91   1HB   GLN  13          HB2       GLU  13 -10.586   0.071  -7.785
   92   2HB   GLN  13          HB3       GLU  13 -10.086  -1.617  -7.901
   93   1HG   GLN  13          HG2       GLU  13 -10.562  -1.946  -5.503
   94   2HG   GLN  13          HG3       GLU  13 -11.011  -0.241  -5.350
   95    H    LYS  14           H        LYS  14  -8.775   1.287  -8.670
   96    HA   LYS  14           HA       LYS  14  -7.752   0.000 -10.910
   97   1HB   LYS  14          HB2       LYS  14  -8.767   2.525 -10.235
   98   2HB   LYS  14          HB3       LYS  14  -7.145   2.909 -10.514
   99   1HG   LYS  14          HG2       LYS  14  -8.416   3.240 -12.542
  100   2HG   LYS  14          HG3       LYS  14  -7.418   1.810 -12.849
  101   1HD   LYS  14          HD2       LYS  14  -9.809   1.638 -13.633
  102   2HD   LYS  14          HD3       LYS  14  -9.342   0.331 -12.534
  103   1HE   LYS  14          HE2       LYS  14 -10.531   1.315 -10.679
  104   2HE   LYS  14          HE3       LYS  14 -10.745   2.857 -11.543
  105   1HZ   LYS  14          HZ1       LYS  14 -12.131   0.316 -12.038
  106   2HZ   LYS  14          HZ2       LYS  14 -12.715   1.767 -11.510
  107   3HZ   LYS  14          HZ3       LYS  14 -12.227   1.645 -13.041
  108    H    HIS  15           H        HIS  15  -6.118   1.842  -8.349
  109    HA   HIS  15           HA       HIS  15  -3.434   1.510  -9.451
  110   1HB   HIS  15          HB2       HIS  15  -4.607   2.659  -6.919
  111   2HB   HIS  15          HB3       HIS  15  -2.895   2.259  -7.090
  112    HD1  HIS  15           HD1      HIS  15  -1.390   3.660  -8.558
  113    HD2  HIS  15           HD2      HIS  15  -5.428   4.795  -8.561
  114    HE1  HIS  15           HE1      HIS  15  -1.508   5.974  -9.706
  115    H    ASN  16           H        ASN  16  -3.853  -0.814  -9.769
  116    HA   ASN  16           HA       ASN  16  -2.282  -2.181  -7.621
  117   1HB   ASN  16          HB2       ASN  16  -3.596  -4.150  -7.605
  118   2HB   ASN  16          HB3       ASN  16  -4.665  -2.781  -7.300
  119   1HD2  ASN  16          HD21      ASN  16  -6.167  -4.694  -7.892
  120   2HD2  ASN  16          HD22      ASN  16  -6.628  -4.794  -9.583
  121    H    ASN  17           H        ASN  17  -1.767  -0.988 -10.387
  122    HA   ASN  17           HA       ASN  17  -0.187  -3.168 -11.527
  123   1HB   ASN  17          HB2       ASN  17  -1.418  -3.036 -13.715
  124   2HB   ASN  17          HB3       ASN  17  -2.466  -3.612 -12.430
  125   1HD2  ASN  17          HD21      ASN  17  -4.266  -2.419 -11.807
  126   2HD2  ASN  17          HD22      ASN  17  -4.609  -0.800 -12.345
  127    H    SER  18           H        SER  18   0.044  -1.798 -14.049
  128    HA   SER  18           HA       SER  18   2.136  -0.101 -13.743
  129   1HB   SER  18          HB2       SER  18   0.053   0.068 -15.952
  130   2HB   SER  18          HB3       SER  18   1.805   0.313 -16.084
  131    HG   SER  18           HG       SER  18   2.071  -1.906 -15.634
  132    H    LYS  19           H        LYS  19  -1.306   0.763 -13.613
  133    HA   LYS  19           HA       LYS  19  -1.381   3.532 -13.688
  134   1HB   LYS  19          HB2       LYS  19  -3.209   1.821 -13.143
  135   2HB   LYS  19          HB3       LYS  19  -2.546   1.722 -11.537
  136   1HG   LYS  19          HG2       LYS  19  -4.165   3.211 -11.133
  137   2HG   LYS  19          HG3       LYS  19  -2.851   4.340 -11.536
  138   1HD   LYS  19          HD2       LYS  19  -3.835   4.133 -13.992
  139   2HD   LYS  19          HD3       LYS  19  -5.313   3.692 -13.135
  140   1HE   LYS  19          HE2       LYS  19  -3.690   6.282 -12.901
  141   2HE   LYS  19          HE3       LYS  19  -5.294   6.101 -13.623
  142   1HZ   LYS  19          HZ1       LYS  19  -5.458   7.052 -11.366
  143   2HZ   LYS  19          HZ2       LYS  19  -6.184   5.664 -11.384
  144   3HZ   LYS  19          HZ3       LYS  19  -4.657   5.810 -10.746
  145    H    SER  20           H        SER  20  -0.348   1.444 -11.149
  146    HA   SER  20           HA       SER  20   1.809   1.832 -10.113
  147   1HB   SER  20          HB2       SER  20   0.576   4.444  -9.111
  148   2HB   SER  20          HB3       SER  20   2.049   3.709  -8.500
  149    HG   SER  20           HG       SER  20   1.567   4.598 -11.136
  150    H    THR  21           H        THR  21   1.954   0.572  -8.228
  151    HA   THR  21           HA       THR  21  -0.571  -0.551  -7.381
  152    HB   THR  21           HB       THR  21   2.311  -1.078  -6.598
  153    HG1  THR  21           HG1      THR  21   1.403  -1.451  -8.826
  154   1HG2  THR  21          HG21      THR  21   1.514  -3.244  -5.753
  155   2HG2  THR  21          HG22      THR  21   0.773  -1.938  -4.817
  156   3HG2  THR  21          HG23      THR  21  -0.150  -2.765  -6.103
  157    H    TRP  22           H        TRP  22  -1.829   0.275  -5.824
  158    HA   TRP  22           HA       TRP  22  -0.731   1.856  -3.543
  159   1HB   TRP  22          HB2       TRP  22  -3.353   1.755  -4.980
  160   2HB   TRP  22          HB3       TRP  22  -3.230   2.426  -3.403
  161    HD1  TRP  22           HD1      TRP  22  -0.123   3.193  -5.370
  162    HE1  TRP  22           HE1      TRP  22  -0.091   5.435  -6.338
  163    HE3  TRP  22           HE3      TRP  22  -4.966   4.304  -4.462
  164    HZ2  TRP  22           HZ2      TRP  22  -2.187   7.515  -7.036
  165    HZ3  TRP  22           HZ3      TRP  22  -6.035   6.276  -5.534
  166    HH2  TRP  22           HH2      TRP  22  -4.694   7.746  -6.999
  167    H    LEU  23           H        LEU  23  -1.539   1.433  -1.425
  168    HA   LEU  23           HA       LEU  23  -3.652  -0.532  -1.175
  169   1HB   LEU  23          HB2       LEU  23  -2.174  -1.506   0.938
  170   2HB   LEU  23          HB3       LEU  23  -2.433  -2.237  -0.603
  171    HG   LEU  23           HG       LEU  23  -0.263  -1.203  -1.432
  172   1HD1  LEU  23          HD11      LEU  23  -0.369  -0.002   1.049
  173   2HD1  LEU  23          HD12      LEU  23   0.674  -1.394   1.381
  174   3HD1  LEU  23          HD13      LEU  23   1.101  -0.220   0.093
  175   1HD2  LEU  23          HD21      LEU  23  -0.396  -3.432   0.631
  176   2HD2  LEU  23          HD22      LEU  23  -0.627  -3.591  -1.123
  177   3HD2  LEU  23          HD23      LEU  23   0.958  -3.147  -0.482
  178    H    ILE  24           H        ILE  24  -4.489  -0.592   1.076
  179    HA   ILE  24           HA       ILE  24  -4.207   2.128   2.280
  180    HB   ILE  24           HB       ILE  24  -6.615   0.412   2.767
  181   1HG1  ILE  24          HG12      ILE  24  -6.686   2.340   0.451
  182   2HG1  ILE  24          HG13      ILE  24  -6.264   0.652   0.153
  183   1HG2  ILE  24          HG21      ILE  24  -6.381   3.401   2.532
  184   2HG2  ILE  24          HG22      ILE  24  -7.712   2.456   3.222
  185   3HG2  ILE  24          HG23      ILE  24  -6.148   2.488   4.038
  186   1HD1  ILE  24          HD11      ILE  24  -8.681   1.099  -0.146
  187   2HD1  ILE  24          HD12      ILE  24  -8.327  -0.169   1.022
  188   3HD1  ILE  24          HD13      ILE  24  -8.804   1.412   1.605
  189    H    LEU  25           H        LEU  25  -3.369   2.320   4.139
  190    HA   LEU  25           HA       LEU  25  -3.254   0.023   6.081
  191   1HB   LEU  25          HB2       LEU  25  -1.032   1.612   4.948
  192   2HB   LEU  25          HB3       LEU  25  -0.963   1.155   6.649
  193    HG   LEU  25           HG       LEU  25  -1.086  -1.210   6.059
  194   1HD1  LEU  25          HD11      LEU  25  -2.264  -1.441   4.049
  195   2HD1  LEU  25          HD12      LEU  25  -1.306  -0.188   3.214
  196   3HD1  LEU  25          HD13      LEU  25  -0.610  -1.781   3.579
  197   1HD2  LEU  25          HD21      LEU  25   1.041   0.354   4.534
  198   2HD2  LEU  25          HD22      LEU  25   1.107  -0.109   6.247
  199   3HD2  LEU  25          HD23      LEU  25   1.152  -1.359   4.987
  200    H    HIS  26           H        HIS  26  -4.978   0.929   7.198
  201    HA   HIS  26           HA       HIS  26  -5.976   2.224   8.774
  202   1HB   HIS  26          HB2       HIS  26  -3.500   3.947   9.087
  203   2HB   HIS  26          HB3       HIS  26  -4.764   3.603  10.252
  204    HD1  HIS  26           HD1      HIS  26  -4.562   1.170  11.522
  205    HD2  HIS  26           HD2      HIS  26  -1.441   2.251   8.905
  206    HE1  HIS  26           HE1      HIS  26  -2.605  -0.395  12.014
  207    H    TYR  27           H        TYR  27  -6.630   2.681   6.287
  208    HA   TYR  27           HA       TYR  27  -7.882   4.009   4.998
  209   1HB   TYR  27          HB2       TYR  27  -7.947   5.743   7.460
  210   2HB   TYR  27          HB3       TYR  27  -8.726   6.189   5.952
  211    HD1  TYR  27           HD1      TYR  27  -8.757   2.563   6.906
  212    HD2  TYR  27           HD2      TYR  27 -11.002   6.268   6.810
  213    HE1  TYR  27           HE1      TYR  27 -10.787   1.405   7.616
  214    HE2  TYR  27           HE2      TYR  27 -12.835   5.178   7.912
  215    HH   TYR  27           HH       TYR  27 -13.857   3.132   8.043
  216    H    LYS  28           H        LYS  28  -4.960   5.582   6.199
  217    HA   LYS  28           HA       LYS  28  -4.708   7.383   3.937
  218   1HB   LYS  28          HB2       LYS  28  -2.755   6.006   5.816
  219   2HB   LYS  28          HB3       LYS  28  -2.185   6.925   4.422
  220   1HG   LYS  28          HG2       LYS  28  -3.795   8.010   6.768
  221   2HG   LYS  28          HG3       LYS  28  -2.069   8.227   6.421
  222   1HD   LYS  28          HD2       LYS  28  -2.931   9.167   4.107
  223   2HD   LYS  28          HD3       LYS  28  -4.459   9.367   5.015
  224   1HE   LYS  28          HE2       LYS  28  -3.523  10.959   6.494
  225   2HE   LYS  28          HE3       LYS  28  -1.861  10.546   6.041
  226   1HZ   LYS  28          HZ1       LYS  28  -2.223  11.515   3.890
  227   2HZ   LYS  28          HZ2       LYS  28  -3.762  11.890   4.181
  228   3HZ   LYS  28          HZ3       LYS  28  -2.585  12.619   5.042
  229    H    VAL  29           H        VAL  29  -3.404   7.038   2.036
  230    HA   VAL  29           HA       VAL  29  -3.501   4.235   1.014
  231    HB   VAL  29           HB       VAL  29  -3.965   6.854  -0.442
  232   1HG1  VAL  29          HG11      VAL  29  -3.907   4.020  -1.538
  233   2HG1  VAL  29          HG12      VAL  29  -4.406   5.503  -2.387
  234   3HG1  VAL  29          HG13      VAL  29  -2.713   5.283  -1.902
  235   1HG2  VAL  29          HG21      VAL  29  -5.702   4.380  -0.172
  236   2HG2  VAL  29          HG22      VAL  29  -5.895   5.791   0.891
  237   3HG2  VAL  29          HG23      VAL  29  -6.150   5.955  -0.867
  238    H    TYR  30           H        TYR  30  -1.772   3.459   0.041
  239    HA   TYR  30           HA       TYR  30   0.825   4.866   0.447
  240   1HB   TYR  30          HB2       TYR  30  -0.335   2.141   1.025
  241   2HB   TYR  30          HB3       TYR  30   1.362   2.344   1.070
  242    HD1  TYR  30           HD1      TYR  30  -1.919   3.100   2.538
  243    HD2  TYR  30           HD2      TYR  30   2.281   3.875   2.993
  244    HE1  TYR  30           HE1      TYR  30  -2.324   4.042   4.774
  245    HE2  TYR  30           HE2      TYR  30   1.823   4.818   5.286
  246    HH   TYR  30           HH       TYR  30  -1.332   4.297   6.801
  247    H    ASP  31           H        ASP  31   1.834   5.098  -1.558
  248    HA   ASP  31           HA       ASP  31   1.309   3.117  -3.724
  249   1HB   ASP  31          HB2       ASP  31   1.544   5.677  -4.152
  250   2HB   ASP  31          HB3       ASP  31   3.289   5.373  -3.861
  251    H    LEU  32           H        LEU  32   2.765   1.539  -4.159
  252    HA   LEU  32           HA       LEU  32   5.306   1.625  -2.590
  253   1HB   LEU  32          HB2       LEU  32   3.814  -0.810  -3.672
  254   2HB   LEU  32          HB3       LEU  32   5.280  -0.867  -2.709
  255    HG   LEU  32           HG       LEU  32   2.540   0.051  -1.899
  256   1HD1  LEU  32          HD11      LEU  32   2.950  -2.381  -1.801
  257   2HD1  LEU  32          HD12      LEU  32   4.372  -2.083  -0.746
  258   3HD1  LEU  32          HD13      LEU  32   2.755  -1.705  -0.168
  259   1HD2  LEU  32          HD21      LEU  32   4.044   1.611  -0.744
  260   2HD2  LEU  32          HD22      LEU  32   3.321   0.467   0.364
  261   3HD2  LEU  32          HD23      LEU  32   5.013   0.234  -0.160
  262    H    THR  33           H        THR  33   4.085   0.346  -5.671
  263    HA   THR  33           HA       THR  33   5.277  -0.395  -7.496
  264    HB   THR  33           HB       THR  33   6.184   1.695  -8.738
  265    HG1  THR  33           HG1      THR  33   4.940   3.170  -6.657
  266   1HG2  THR  33          HG21      THR  33   4.000   2.634  -9.113
  267   2HG2  THR  33          HG22      THR  33   3.893   0.864  -9.018
  268   3HG2  THR  33          HG23      THR  33   3.377   1.868  -7.628
  269    H    LYS  34           H        LYS  34   7.634   2.074  -6.620
  270    HA   LYS  34           HA       LYS  34   9.907   0.597  -7.589
  271   1HB   LYS  34          HB2       LYS  34   9.782   2.775  -5.464
  272   2HB   LYS  34          HB3       LYS  34  11.231   2.263  -6.348
  273   1HG   LYS  34          HG2       LYS  34  10.220   2.990  -8.480
  274   2HG   LYS  34          HG3       LYS  34   8.729   3.441  -7.637
  275   1HD   LYS  34          HD2       LYS  34  10.133   5.048  -6.214
  276   2HD   LYS  34          HD3       LYS  34  11.484   4.686  -7.290
  277   1HE   LYS  34          HE2       LYS  34  10.437   6.746  -8.030
  278   2HE   LYS  34          HE3       LYS  34  10.143   5.495  -9.245
  279   1HZ   LYS  34          HZ1       LYS  34   8.174   6.797  -8.758
  280   2HZ   LYS  34          HZ2       LYS  34   7.917   5.234  -8.335
  281   3HZ   LYS  34          HZ3       LYS  34   8.212   6.357  -7.176
  282    H    PHE  35           H        PHE  35   8.164   0.556  -4.551
  283    HA   PHE  35           HA       PHE  35  10.290  -0.635  -2.974
  284   1HB   PHE  35          HB2       PHE  35   8.362   0.872  -2.099
  285   2HB   PHE  35          HB3       PHE  35   7.315  -0.550  -2.379
  286    HD1  PHE  35           HD1      PHE  35   6.795  -1.766  -0.491
  287    HD2  PHE  35           HD2      PHE  35  10.707   0.055  -0.786
  288    HE1  PHE  35           HE1      PHE  35   7.513  -2.981   1.489
  289    HE2  PHE  35           HE2      PHE  35  11.428  -1.188   1.216
  290    HZ   PHE  35           HZ       PHE  35   9.930  -2.841   2.245
  291    H    LEU  36           H        LEU  36   7.735  -1.718  -5.072
  292    HA   LEU  36           HA       LEU  36   7.053  -4.245  -4.024
  293   1HB   LEU  36          HB2       LEU  36   7.404  -3.333  -6.923
  294   2HB   LEU  36          HB3       LEU  36   6.556  -4.728  -6.429
  295    HG   LEU  36           HG       LEU  36   5.621  -1.957  -5.793
  296   1HD1  LEU  36          HD11      LEU  36   5.354  -2.778  -8.147
  297   2HD1  LEU  36          HD12      LEU  36   4.586  -4.245  -7.532
  298   3HD1  LEU  36          HD13      LEU  36   3.783  -2.683  -7.328
  299   1HD2  LEU  36          HD21      LEU  36   3.608  -3.080  -4.898
  300   2HD2  LEU  36          HD22      LEU  36   4.455  -4.638  -4.972
  301   3HD2  LEU  36          HD23      LEU  36   5.047  -3.325  -3.920
  302    H    GLU  37           H        GLU  37   9.819  -3.231  -5.951
  303    HA   GLU  37           HA       GLU  37  10.967  -5.848  -6.299
  304   1HB   GLU  37          HB2       GLU  37  11.259  -3.703  -7.676
  305   2HB   GLU  37          HB3       GLU  37  12.398  -3.152  -6.446
  306   1HG   GLU  37          HG2       GLU  37  12.625  -5.776  -8.001
  307   2HG   GLU  37          HG3       GLU  37  13.357  -4.250  -8.516
  308    H    GLU  38           H        GLU  38  11.792  -3.075  -4.199
  309    HA   GLU  38           HA       GLU  38  13.891  -4.142  -2.741
  310   1HB   GLU  38          HB2       GLU  38  12.893  -1.743  -2.801
  311   2HB   GLU  38          HB3       GLU  38  11.760  -2.296  -1.579
  312   1HG   GLU  38          HG2       GLU  38  13.705  -2.862  -0.098
  313   2HG   GLU  38          HG3       GLU  38  14.798  -2.231  -1.344
  314    H    HIS  39           HN       HIS  39  10.440  -4.344  -2.102
  315    HA   HIS  39           HA       HIS  39  10.351  -4.911   0.530
  316   1HB   HIS  39          HB2       HIS  39   8.412  -4.329  -0.859
  317   2HB   HIS  39          HB3       HIS  39   8.503  -5.906  -1.656
  318    HD1  HIS  39           HD1      HIS  39   6.634  -7.431  -0.711
  319    HD2  HIS  39           HD2      HIS  39   8.450  -4.917   2.140
  320    HE1  HIS  39           HE1      HIS  39   5.549  -7.942   1.532
  321    HA   PRO  40           HA       PRO  40  12.194  -9.060   0.832
  322   1HB   PRO  40          HB2       PRO  40  10.750  -8.845   3.495
  323   2HB   PRO  40          HB3       PRO  40  12.345  -9.574   3.148
  324   1HG   PRO  40          HG2       PRO  40  12.253  -7.057   4.117
  325   2HG   PRO  40          HG3       PRO  40  13.296  -7.396   2.705
  326   1HD   PRO  40          HD2       PRO  40  10.523  -6.190   2.718
  327   2HD   PRO  40          HD3       PRO  40  11.991  -5.653   1.839
  328    H    GLY  41           H        GLY  41   8.752  -8.470   1.756
  329   1HA   GLY  41          HA1       GLY  41   7.887 -11.207   1.403
  330   2HA   GLY  41          HA2       GLY  41   6.879  -9.797   1.478
  331    H    GLY  42           H        GLY  42   8.910  -8.896  -0.964
  332   1HA   GLY  42          HA1       GLY  42   8.836  -8.934  -3.239
  333   2HA   GLY  42          HA2       GLY  42   7.919 -10.451  -3.176
  334    H    GLU  43           H        GLU  43   7.197  -8.954  -5.103
  335    HA   GLU  43           HA       GLU  43   5.261  -6.888  -4.560
  336   1HB   GLU  43          HB2       GLU  43   6.573  -6.816  -6.563
  337   2HB   GLU  43          HB3       GLU  43   6.115  -8.399  -7.079
  338   1HG   GLU  43          HG2       GLU  43   3.839  -7.855  -7.480
  339   2HG   GLU  43          HG3       GLU  43   4.057  -6.227  -6.829
  340    H    GLU  44           H        GLU  44   5.003 -10.294  -5.682
  341    HA   GLU  44           HA       GLU  44   2.385 -10.373  -6.356
  342   1HB   GLU  44          HB2       GLU  44   3.904 -12.595  -4.912
  343   2HB   GLU  44          HB3       GLU  44   2.430 -12.788  -5.869
  344   1HG   GLU  44          HG2       GLU  44   3.640 -11.877  -7.869
  345   2HG   GLU  44          HG3       GLU  44   5.142 -11.848  -6.925
  346    H    VAL  45           H        VAL  45   3.534 -11.135  -3.037
  347    HA   VAL  45           HA       VAL  45   0.953 -11.501  -1.966
  348    HB   VAL  45           HB       VAL  45   3.206 -12.247  -1.050
  349   1HG1  VAL  45          HG11      VAL  45   3.167  -9.563   0.386
  350   2HG1  VAL  45          HG12      VAL  45   4.358 -10.860   0.540
  351   3HG1  VAL  45          HG13      VAL  45   4.246  -9.945  -0.977
  352   1HG2  VAL  45          HG21      VAL  45   1.199 -11.055   0.894
  353   2HG2  VAL  45          HG22      VAL  45   1.100 -12.650   0.124
  354   3HG2  VAL  45          HG23      VAL  45   2.409 -12.296   1.264
  355    H    LEU  46           H        LEU  46   2.720  -8.514  -2.593
  356    HA   LEU  46           HA       LEU  46   0.947  -6.817  -0.946
  357   1HB   LEU  46          HB2       LEU  46   3.189  -6.352  -2.930
  358   2HB   LEU  46          HB3       LEU  46   2.033  -5.067  -2.610
  359    HG   LEU  46           HG       LEU  46   2.653  -4.834  -0.392
  360   1HD1  LEU  46          HD11      LEU  46   2.633  -7.193   0.367
  361   2HD1  LEU  46          HD12      LEU  46   4.157  -7.470  -0.505
  362   3HD1  LEU  46          HD13      LEU  46   4.066  -6.314   0.851
  363   1HD2  LEU  46          HD21      LEU  46   5.231  -5.644  -1.815
  364   2HD2  LEU  46          HD22      LEU  46   4.413  -4.091  -1.988
  365   3HD2  LEU  46          HD23      LEU  46   5.094  -4.551  -0.421
  366    H    ARG  47           H        ARG  47   1.285  -7.762  -4.384
  367    HA   ARG  47           HA       ARG  47  -0.828  -5.965  -5.128
  368   1HB   ARG  47          HB2       ARG  47   0.768  -8.037  -6.606
  369   2HB   ARG  47          HB3       ARG  47  -0.664  -7.279  -7.332
  370   1HG   ARG  47          HG2       ARG  47   0.329  -5.004  -6.732
  371   2HG   ARG  47          HG3       ARG  47   1.762  -5.852  -6.116
  372   1HD   ARG  47          HD2       ARG  47   2.321  -5.138  -8.312
  373   2HD   ARG  47          HD3       ARG  47   1.962  -6.881  -8.412
  374    HE   ARG  47           HE       ARG  47  -0.311  -5.080  -8.970
  375   1HH1  ARG  47          HH22      ARG  47   2.559  -6.585 -10.423
  376   2HH1  ARG  47          HH21      ARG  47   1.808  -6.852 -11.966
  377   1HH2  ARG  47          HH11      ARG  47  -1.250  -5.266 -10.898
  378   2HH2  ARG  47          HH12      ARG  47  -0.511  -6.087 -12.273
  379    H    GLU  48           H        GLU  48  -0.763  -9.359  -4.434
  380    HA   GLU  48           HA       GLU  48  -3.381 -10.220  -4.733
  381   1HB   GLU  48          HB2       GLU  48  -1.449 -11.458  -3.777
  382   2HB   GLU  48          HB3       GLU  48  -1.507 -10.401  -2.360
  383   1HG   GLU  48          HG2       GLU  48  -2.456 -12.601  -1.859
  384   2HG   GLU  48          HG3       GLU  48  -3.741 -11.396  -1.766
  385    H    GLN  49           H        GLN  49  -2.216  -7.684  -2.517
  386    HA   GLN  49           HA       GLN  49  -4.956  -7.363  -1.324
  387   1HB   GLN  49          HB2       GLN  49  -2.224  -6.401  -0.390
  388   2HB   GLN  49          HB3       GLN  49  -3.750  -6.202   0.452
  389   1HG   GLN  49          HG2       GLN  49  -2.390  -8.893  -0.175
  390   2HG   GLN  49          HG3       GLN  49  -2.311  -8.025   1.351
  391   1HE2  GLN  49          HE21      GLN  49  -4.842  -9.438  -0.914
  392   2HE2  GLN  49          HE22      GLN  49  -5.837  -9.957   0.426
  393    H    ALA  50           H        ALA  50  -2.463  -5.821  -3.168
  394    HA   ALA  50           HA       ALA  50  -2.991  -3.178  -2.739
  395   1HB   ALA  50          HB1       ALA  50  -2.006  -2.703  -4.939
  396   2HB   ALA  50          HB2       ALA  50  -1.092  -3.969  -4.093
  397   3HB   ALA  50          HB3       ALA  50  -2.233  -4.378  -5.424
  398    H    GLY  51           H        GLY  51  -4.006  -1.504  -3.919
  399   1HA   GLY  51          HA1       GLY  51  -6.073  -0.545  -4.262
  400   2HA   GLY  51          HA2       GLY  51  -6.199  -1.641  -5.645
  401    H    GLY  52           H        GLY  52  -5.809  -1.889  -2.093
  402   1HA   GLY  52          HA1       GLY  52  -8.450  -1.891  -1.315
  403   2HA   GLY  52          HA2       GLY  52  -7.880  -3.597  -1.385
  404    H    ASP  53           H        ASP  53  -8.348  -2.765   0.998
  405    HA   ASP  53           HA       ASP  53  -6.049  -1.535   2.280
  406   1HB   ASP  53          HB2       ASP  53  -7.271  -1.895   4.410
  407   2HB   ASP  53          HB3       ASP  53  -8.220  -0.997   3.222
  408    H    ALA  54           H        ALA  54  -4.424  -2.389   3.241
  409    HA   ALA  54           HA       ALA  54  -4.359  -5.352   3.738
  410   1HB   ALA  54          HB1       ALA  54  -2.088  -5.423   3.062
  411   2HB   ALA  54          HB2       ALA  54  -2.942  -4.576   1.760
  412   3HB   ALA  54          HB3       ALA  54  -1.974  -3.653   2.918
  413    H    THR  55           H        THR  55  -5.235  -3.067   5.410
  414    HA   THR  55           HA       THR  55  -3.116  -2.152   7.061
  415    HB   THR  55           HB       THR  55  -6.085  -2.345   7.757
  416    HG1  THR  55           HG1      THR  55  -5.156  -1.069   5.735
  417   1HG2  THR  55          HG21      THR  55  -3.826  -0.531   8.714
  418   2HG2  THR  55          HG22      THR  55  -5.542  -0.349   9.158
  419   3HG2  THR  55          HG23      THR  55  -4.638  -1.775   9.689
  420    H    GLU  56           H        GLU  56  -5.604  -4.724   7.700
  421    HA   GLU  56           HA       GLU  56  -4.628  -5.511  10.216
  422   1HB   GLU  56          HB2       GLU  56  -6.046  -7.493   9.790
  423   2HB   GLU  56          HB3       GLU  56  -6.834  -5.969   9.380
  424   1HG   GLU  56          HG2       GLU  56  -6.380  -6.417   6.929
  425   2HG   GLU  56          HG3       GLU  56  -5.827  -8.038   7.420
  426    H    ASN  57           H        ASN  57  -4.234  -6.812   7.006
  427    HA   ASN  57           HA       ASN  57  -2.447  -8.866   7.409
  428   1HB   ASN  57          HB2       ASN  57  -3.598  -8.110   5.270
  429   2HB   ASN  57          HB3       ASN  57  -2.248  -6.997   5.012
  430   1HD2  ASN  57          HD21      ASN  57  -3.159  -9.412   3.420
  431   2HD2  ASN  57          HD22      ASN  57  -1.754 -10.467   3.404
  432    H    PHE  58           H        PHE  58  -1.504  -5.447   6.822
  433    HA   PHE  58           HA       PHE  58   1.301  -5.761   6.979
  434   1HB   PHE  58          HB2       PHE  58   0.151  -3.760   6.150
  435   2HB   PHE  58          HB3       PHE  58  -0.482  -3.423   7.751
  436    HD1  PHE  58           HD1      PHE  58   2.723  -3.746   5.830
  437    HD2  PHE  58           HD2      PHE  58   0.755  -2.091   9.291
  438    HE1  PHE  58           HE1      PHE  58   4.562  -2.093   6.093
  439    HE2  PHE  58           HE2      PHE  58   2.602  -0.476   9.571
  440    HZ   PHE  58           HZ       PHE  58   4.491  -0.436   7.940
  441    H    GLU  59           H        GLU  59  -1.077  -4.961   9.565
  442    HA   GLU  59           HA       GLU  59   0.868  -4.906  11.688
  443   1HB   GLU  59          HB2       GLU  59  -2.162  -5.330  11.678
  444   2HB   GLU  59          HB3       GLU  59  -1.194  -5.011  13.115
  445   1HG   GLU  59          HG2       GLU  59  -1.452  -3.102  10.730
  446   2HG   GLU  59          HG3       GLU  59  -2.331  -2.983  12.254
  447    H    ASP  60           H        ASP  60  -1.050  -7.433  10.308
  448    HA   ASP  60           HA       ASP  60  -0.845  -9.447  12.285
  449   1HB   ASP  60          HB2       ASP  60  -2.440  -9.342  10.263
  450   2HB   ASP  60          HB3       ASP  60  -1.052  -9.770   9.259
  451    H    HIS  61           H        HIS  61   1.071  -8.610   9.431
  452    HA   HIS  61           HA       HIS  61   3.242 -10.489   9.924
  453   1HB   HIS  61          HB2       HIS  61   2.815  -8.098   8.142
  454   2HB   HIS  61          HB3       HIS  61   4.392  -8.905   8.226
  455    HD1  HIS  61           HD1      HIS  61   0.763  -9.615   7.099
  456    HD2  HIS  61           HD2      HIS  61   4.678 -11.178   6.946
  457    HE1  HIS  61           HE1      HIS  61   0.709 -11.608   5.496
  458    H    GLY  62           H        GLY  62   2.396  -7.736  11.718
  459   1HA   GLY  62          HA1       GLY  62   3.486  -6.524  13.291
  460   2HA   GLY  62          HA2       GLY  62   4.644  -7.862  13.342
  461    H    HIS  63           HN       HIS  63   3.939  -5.525  10.709
  462    HA   HIS  63           HA       HIS  63   6.620  -5.305   9.970
  463   1HB   HIS  63          HB2       HIS  63   4.152  -3.683   9.384
  464   2HB   HIS  63          HB3       HIS  63   5.723  -3.130   8.806
  465    HD1  HIS  63           HD1      HIS  63   3.347  -6.089   8.320
  466    HD2  HIS  63           HD2      HIS  63   6.849  -4.347   6.816
  467    HE1  HIS  63           HE1      HIS  63   3.793  -7.212   6.074
  468    H    SER  64           H        SER  64   8.286  -4.056  10.339
  469    HA   SER  64           HA       SER  64   8.728  -3.097  12.895
  470   1HB   SER  64          HB2       SER  64  10.934  -2.392  11.921
  471   2HB   SER  64          HB3       SER  64  10.428  -3.978  11.326
  472    HG   SER  64           HG       SER  64  10.556  -3.152   9.434
  473    H    THR  65           H        THR  65   9.828  -1.009  13.428
  474    HA   THR  65           HA       THR  65   8.510   1.465  13.116
  475    HB   THR  65           HB       THR  65  11.110   2.065  13.615
  476    HG1  THR  65           HG1      THR  65  12.017   0.021  13.129
  477   1HG2  THR  65          HG21      THR  65   9.376   0.432  15.527
  478   2HG2  THR  65          HG22      THR  65  10.756   1.451  15.985
  479   3HG2  THR  65          HG23      THR  65   9.300   2.194  15.294
  480    H    ASP  66           H        ASP  66  11.199  -0.059  11.348
  481    HA   ASP  66           HA       ASP  66  11.816   2.087   9.702
  482   1HB   ASP  66          HB2       ASP  66  12.226  -0.896   9.185
  483   2HB   ASP  66          HB3       ASP  66  13.207   0.444   8.581
  484    H    ALA  67           H        ALA  67   9.777  -0.783   9.146
  485    HA   ALA  67           HA       ALA  67   8.928  -0.223   6.512
  486   1HB   ALA  67          HB1       ALA  67   7.604  -1.802   8.749
  487   2HB   ALA  67          HB2       ALA  67   7.112  -1.842   7.045
  488   3HB   ALA  67          HB3       ALA  67   8.713  -2.444   7.527
  489    H    ARG  68           H        ARG  68   7.573   0.490   9.726
  490    HA   ARG  68           HA       ARG  68   5.292   1.990   9.153
  491   1HB   ARG  68          HB2       ARG  68   7.185   1.644  11.330
  492   2HB   ARG  68          HB3       ARG  68   6.770   3.330  11.251
  493   1HG   ARG  68          HG2       ARG  68   5.216   2.576  12.698
  494   2HG   ARG  68          HG3       ARG  68   4.277   2.388  11.209
  495   1HD   ARG  68          HD2       ARG  68   4.910  -0.023  11.149
  496   2HD   ARG  68          HD3       ARG  68   5.925   0.186  12.587
  497    HE   ARG  68           HE       ARG  68   3.700   1.085  13.627
  498   1HH1  ARG  68          HH22      ARG  68   4.254  -2.068  11.993
  499   2HH1  ARG  68          HH21      ARG  68   2.497  -2.387  11.996
  500   1HH2  ARG  68          HH11      ARG  68   1.614   0.276  14.088
  501   2HH2  ARG  68          HH12      ARG  68   1.125  -1.259  13.461
  502    H    GLU  69           H        GLU  69   8.603   3.324   9.600
  503    HA   GLU  69           HA       GLU  69   8.071   5.943   8.828
  504   1HB   GLU  69          HB2       GLU  69  10.212   4.715   9.857
  505   2HB   GLU  69          HB3       GLU  69  10.742   4.684   8.178
  506   1HG   GLU  69          HG2       GLU  69  11.625   6.651   9.317
  507   2HG   GLU  69          HG3       GLU  69  10.437   7.191   8.119
  508    H    LEU  70           H        LEU  70   9.277   3.252   6.828
  509    HA   LEU  70           HA       LEU  70   9.295   4.538   4.373
  510   1HB   LEU  70          HB2       LEU  70   9.001   1.683   5.324
  511   2HB   LEU  70          HB3       LEU  70   8.398   1.927   3.775
  512    HG   LEU  70           HG       LEU  70  10.548   1.275   3.333
  513   1HD1  LEU  70          HD11      LEU  70  11.516   3.007   2.118
  514   2HD1  LEU  70          HD12      LEU  70   9.863   3.631   2.357
  515   3HD1  LEU  70          HD13      LEU  70  11.189   4.226   3.363
  516   1HD2  LEU  70          HD21      LEU  70  12.579   2.151   4.461
  517   2HD2  LEU  70          HD22      LEU  70  11.547   3.105   5.551
  518   3HD2  LEU  70          HD23      LEU  70  11.470   1.326   5.569
  519    H    SER  71           H        SER  71   6.522   3.065   6.015
  520    HA   SER  71           HA       SER  71   4.705   3.384   3.811
  521   1HB   SER  71          HB2       SER  71   4.022   3.296   6.792
  522   2HB   SER  71          HB3       SER  71   2.970   2.883   5.437
  523    HG   SER  71           HG       SER  71   5.339   1.490   6.079
  524    H    LYS  72           H        LYS  72   5.867   5.577   6.337
  525    HA   LYS  72           HA       LYS  72   3.795   7.571   5.966
  526   1HB   LYS  72          HB2       LYS  72   6.704   8.173   6.653
  527   2HB   LYS  72          HB3       LYS  72   5.278   9.166   6.948
  528   1HG   LYS  72          HG2       LYS  72   4.410   7.407   8.479
  529   2HG   LYS  72          HG3       LYS  72   5.900   6.487   8.235
  530   1HD   LYS  72          HD2       LYS  72   7.214   8.512   8.914
  531   2HD   LYS  72          HD3       LYS  72   5.712   9.299   9.426
  532   1HE   LYS  72          HE2       LYS  72   5.373   7.646  11.196
  533   2HE   LYS  72          HE3       LYS  72   6.602   6.583  10.497
  534   1HZ   LYS  72          HZ1       LYS  72   7.078   8.802  12.248
  535   2HZ   LYS  72          HZ2       LYS  72   8.025   7.479  11.814
  536   3HZ   LYS  72          HZ3       LYS  72   8.051   8.730  10.892
  537    H    THR  73           H        THR  73   7.046   7.167   4.611
  538    HA   THR  73           HA       THR  73   6.707   9.403   2.814
  539    HB   THR  73           HB       THR  73   8.944   8.590   3.590
  540    HG1  THR  73           HG1      THR  73   8.303   9.106   0.884
  541   1HG2  THR  73          HG21      THR  73  10.145   7.013   2.125
  542   2HG2  THR  73          HG22      THR  73   8.897   6.246   3.103
  543   3HG2  THR  73          HG23      THR  73   8.616   6.526   1.371
  544    H    PHE  74           H        PHE  74   5.679   6.090   2.551
  545    HA   PHE  74           HA       PHE  74   5.184   6.237  -0.343
  546   1HB   PHE  74          HB2       PHE  74   4.200   4.333   1.789
  547   2HB   PHE  74          HB3       PHE  74   3.988   4.114   0.069
  548    HD1  PHE  74           HD1      PHE  74   5.082   1.994   1.694
  549    HD2  PHE  74           HD2      PHE  74   7.121   5.224  -0.315
  550    HE1  PHE  74           HE1      PHE  74   7.143   0.615   1.499
  551    HE2  PHE  74           HE2      PHE  74   9.208   3.921  -0.285
  552    HZ   PHE  74           HZ       PHE  74   9.254   1.673   0.792
  553    H    ILE  75           H        ILE  75   3.512   7.485   2.439
  554    HA   ILE  75           HA       ILE  75   0.889   7.204   1.463
  555    HB   ILE  75           HB       ILE  75   2.110   9.358   3.178
  556   1HG1  ILE  75          HG12      ILE  75  -0.112   7.321   3.660
  557   2HG1  ILE  75          HG13      ILE  75   1.576   6.933   3.805
  558   1HG2  ILE  75          HG21      ILE  75   0.324  10.559   1.980
  559   2HG2  ILE  75          HG22      ILE  75  -0.808   9.219   2.284
  560   3HG2  ILE  75          HG23      ILE  75  -0.194  10.212   3.619
  561   1HD1  ILE  75          HD11      ILE  75   1.834   8.756   5.534
  562   2HD1  ILE  75          HD12      ILE  75   0.076   8.989   5.481
  563   3HD1  ILE  75          HD13      ILE  75   0.743   7.441   6.021
  564    H    ILE  76           H        ILE  76  -0.279   7.987  -0.158
  565    HA   ILE  76           HA       ILE  76   0.766  10.348  -1.709
  566    HB   ILE  76           HB       ILE  76  -0.119   9.291  -3.732
  567   1HG1  ILE  76          HG12      ILE  76  -0.370   6.695  -3.595
  568   2HG1  ILE  76          HG13      ILE  76  -0.774   6.921  -1.898
  569   1HG2  ILE  76          HG21      ILE  76   1.919   7.505  -2.416
  570   2HG2  ILE  76          HG22      ILE  76   1.736   7.921  -4.131
  571   3HG2  ILE  76          HG23      ILE  76   2.268   9.149  -2.983
  572   1HD1  ILE  76          HD11      ILE  76  -2.715   6.825  -3.490
  573   2HD1  ILE  76          HD12      ILE  76  -2.676   8.293  -2.526
  574   3HD1  ILE  76          HD13      ILE  76  -2.123   8.309  -4.229
  575    H    GLY  77           H        GLY  77  -1.863   9.287   0.179
  576   1HA   GLY  77          HA1       GLY  77  -3.577  11.427  -0.080
  577   2HA   GLY  77          HA2       GLY  77  -3.983  10.414  -1.475
  578    H    GLU  78           H        GLU  78  -6.217  10.083  -0.179
  579    HA   GLU  78           HA       GLU  78  -5.802   7.973   1.858
  580   1HB   GLU  78          HB2       GLU  78  -7.645  10.424   1.900
  581   2HB   GLU  78          HB3       GLU  78  -7.338   9.228   3.205
  582   1HG   GLU  78          HG2       GLU  78  -6.092  10.937   3.997
  583   2HG   GLU  78          HG3       GLU  78  -4.894  10.006   3.069
  584    H    LEU  79           H        LEU  79  -7.765   6.911   2.463
  585    HA   LEU  79           HA       LEU  79  -9.355   5.941   0.215
  586   1HB   LEU  79          HB2       LEU  79  -8.540   4.524   2.149
  587   2HB   LEU  79          HB3       LEU  79  -9.549   5.479   3.229
  588    HG   LEU  79           HG       LEU  79 -11.564   4.807   1.669
  589   1HD1  LEU  79          HD11      LEU  79  -9.320   3.278   0.498
  590   2HD1  LEU  79          HD12      LEU  79 -10.791   2.350   0.839
  591   3HD1  LEU  79          HD13      LEU  79 -10.858   3.789  -0.206
  592   1HD2  LEU  79          HD21      LEU  79 -11.443   4.049   3.885
  593   2HD2  LEU  79          HD22      LEU  79 -11.852   2.728   2.789
  594   3HD2  LEU  79          HD23      LEU  79 -10.209   2.812   3.474
  595    H    HIS  80           H        HIS  80 -10.873   7.378  -0.600
  596    HA   HIS  80           HA       HIS  80 -12.024   9.274   0.890
  597   1HB   HIS  80          HB2       HIS  80 -12.158   9.130  -1.583
  598   2HB   HIS  80          HB3       HIS  80 -13.401   7.871  -1.413
  599    HD1  HIS  80           HD1      HIS  80 -15.865   8.924  -0.680
  600    HD2  HIS  80           HD2      HIS  80 -12.561  11.483  -0.537
  601    HE1  HIS  80           HE1      HIS  80 -16.729  11.158   0.211
  602    HA   PRO  81           HA       PRO  81 -14.286   6.918   3.772
  603   1HB   PRO  81          HB2       PRO  81 -15.829   9.601   4.060
  604   2HB   PRO  81          HB3       PRO  81 -15.394   8.499   5.358
  605   1HG   PRO  81          HG2       PRO  81 -13.873  10.767   4.738
  606   2HG   PRO  81          HG3       PRO  81 -12.989   9.223   5.024
  607   1HD   PRO  81          HD2       PRO  81 -13.775  10.521   2.416
  608   2HD   PRO  81          HD3       PRO  81 -12.293   9.666   2.922
  609    H    ASP  82           H        ASP  82 -16.012   8.299   1.300
  610    HA   ASP  82           HA       ASP  82 -18.655   7.478   1.953
  611   1HB   ASP  82          HB2       ASP  82 -18.094   8.805  -0.108
  612   2HB   ASP  82          HB3       ASP  82 -17.204   7.399  -0.758
  613    H    ASP  83           H        ASP  83 -15.691   5.860   1.012
  614    HA   ASP  83           HA       ASP  83 -16.424   3.196   0.714
  615   1HB   ASP  83          HB2       ASP  83 -14.240   4.555   0.417
  616   2HB   ASP  83          HB3       ASP  83 -13.900   4.375   2.062
  617    H    ARG  84           H        ARG  84 -15.091   4.720   3.754
  618    HA   ARG  84           HA       ARG  84 -16.639   3.401   5.690
  619   1HB   ARG  84          HB2       ARG  84 -14.921   1.692   6.323
  620   2HB   ARG  84          HB3       ARG  84 -15.771   1.300   4.824
  621   1HG   ARG  84          HG2       ARG  84 -13.772   2.532   3.687
  622   2HG   ARG  84          HG3       ARG  84 -12.882   2.271   5.157
  623   1HD   ARG  84          HD2       ARG  84 -14.303   0.054   3.581
  624   2HD   ARG  84          HD3       ARG  84 -12.699   0.657   3.182
  625    HE   ARG  84           HE       ARG  84 -12.925  -0.157   5.968
  626   1HH1  ARG  84          HH22      ARG  84 -12.388  -1.287   2.663
  627   2HH1  ARG  84          HH21      ARG  84 -11.136  -2.435   3.062
  628   1HH2  ARG  84          HH11      ARG  84 -11.414  -1.871   6.583
  629   2HH2  ARG  84          HH12      ARG  84 -10.598  -2.773   5.332
  630    HHA  HEM 201           HGM      HEM 201   9.579  -8.824   5.866
  631    HHB  HEM 201           HDM      HEM 201   8.943  -2.518   4.726
  632    HHC  HEM 201           HAM      HEM 201   2.843  -3.508   2.937
  633    HHD  HEM 201           HBM      HEM 201   3.695  -9.894   3.484
  634   1HMA  HEM 201          HM81      HEM 201  11.223  -3.093   4.901
  635   2HMA  HEM 201          HM82      HEM 201  10.933  -3.214   6.653
  636   3HMA  HEM 201          HM83      HEM 201  12.167  -4.216   5.871
  637   1HAA  HEM 201          HP71      HEM 201  11.420  -7.796   6.569
  638   2HAA  HEM 201          HP72      HEM 201  12.082  -6.136   6.939
  639   1HBA  HEM 201          HP73      HEM 201  11.289  -7.265   8.966
  640   2HBA  HEM 201          HP74      HEM 201   9.605  -7.357   8.240
  641   1HMB  HEM 201          HM11      HEM 201   8.088  -0.575   3.398
  642   2HMB  HEM 201          HM12      HEM 201   6.515   0.220   3.602
  643   3HMB  HEM 201          HM13      HEM 201   7.332  -0.443   4.999
  644    HAB  HEM 201          HT2A      HEM 201   3.841  -1.734   1.682
  645   1HBB  HEM 201          HV2C      HEM 201   4.387   0.560   3.497
  646   2HBB  HEM 201          HV2T      HEM 201   2.725   0.069   2.737
  647   1HMC  HEM 201          HM31      HEM 201   0.811  -4.485   3.412
  648   2HMC  HEM 201          HM32      HEM 201   0.662  -5.272   1.820
  649   3HMC  HEM 201          HM33      HEM 201   0.038  -6.068   3.286
  650    HAC  HEM 201          HT4A      HEM 201   1.277  -9.383   3.707
  651   1HBC  HEM 201          HV4C      HEM 201   0.437  -7.761   1.245
  652   2HBC  HEM 201          HV4T      HEM 201  -0.246  -9.390   1.829
  653   1HMD  HEM 201          HM51      HEM 201   4.578 -11.838   3.895
  654   2HMD  HEM 201          HM52      HEM 201   6.173 -12.334   3.316
  655   3HMD  HEM 201          HM53      HEM 201   5.755 -12.489   5.033
  656   1HAD  HEM 201          HP61      HEM 201   8.210 -12.270   4.865
  657   2HAD  HEM 201          HP62      HEM 201   9.473 -10.960   4.985
  658   1HBD  HEM 201          HP63      HEM 201   8.667 -10.553   7.346
  659   2HBD  HEM 201          HP64      HEM 201   7.634 -12.059   7.154
  Start of MODEL   27
    1   1H    ALA   3          H1        ALA   3  -5.313  21.469   0.958
    2   2H    ALA   3          H2        ALA   3  -6.804  21.577   0.310
    3   3H    ALA   3          H3        ALA   3  -6.411  22.564   1.591
    4    HA   ALA   3           HA       ALA   3  -6.315  20.779   3.080
    5   1HB   ALA   3          HB1       ALA   3  -8.525  19.715   2.885
    6   2HB   ALA   3          HB2       ALA   3  -8.661  21.413   2.418
    7   3HB   ALA   3          HB3       ALA   3  -8.620  20.153   1.166
    8    H    VAL   4           H        VAL   4  -7.237  18.084   2.660
    9    HA   VAL   4           HA       VAL   4  -5.042  16.801   1.262
   10    HB   VAL   4           HB       VAL   4  -6.313  14.755   1.645
   11   1HG1  VAL   4          HG11      VAL   4  -4.929  15.658   3.469
   12   2HG1  VAL   4          HG12      VAL   4  -6.388  16.392   4.180
   13   3HG1  VAL   4          HG13      VAL   4  -6.269  14.623   3.987
   14   1HG2  VAL   4          HG21      VAL   4  -8.463  14.937   3.050
   15   2HG2  VAL   4          HG22      VAL   4  -8.576  16.611   2.531
   16   3HG2  VAL   4          HG23      VAL   4  -8.613  15.306   1.328
   17    H    LYS   5           H        LYS   5  -6.098  14.940  -0.334
   18    HA   LYS   5           HA       LYS   5  -7.731  16.288  -2.451
   19   1HB   LYS   5          HB2       LYS   5  -6.064  13.749  -2.715
   20   2HB   LYS   5          HB3       LYS   5  -6.976  14.583  -3.966
   21   1HG   LYS   5          HG2       LYS   5  -5.313  16.431  -3.921
   22   2HG   LYS   5          HG3       LYS   5  -4.439  15.598  -2.609
   23   1HD   LYS   5          HD2       LYS   5  -4.350  13.537  -4.084
   24   2HD   LYS   5          HD3       LYS   5  -5.008  14.510  -5.412
   25   1HE   LYS   5          HE2       LYS   5  -2.958  15.934  -5.334
   26   2HE   LYS   5          HE3       LYS   5  -2.365  14.989  -3.953
   27   1HZ   LYS   5          HZ1       LYS   5  -2.820  13.963  -6.678
   28   2HZ   LYS   5          HZ2       LYS   5  -1.370  14.160  -5.926
   29   3HZ   LYS   5          HZ3       LYS   5  -2.436  13.018  -5.393
   30    H    TYR   6           H        TYR   6  -6.782  13.329  -0.812
   31    HA   TYR   6           HA       TYR   6  -7.689  11.357  -0.362
   32   1HB   TYR   6          HB2       TYR   6 -10.443  12.758  -0.294
   33   2HB   TYR   6          HB3       TYR   6 -10.079  11.081  -0.241
   34    HD1  TYR   6           HD1      TYR   6 -11.271  10.835   1.572
   35    HD2  TYR   6           HD2      TYR   6  -7.649  13.002   1.705
   36    HE1  TYR   6           HE1      TYR   6 -10.674   9.847   3.744
   37    HE2  TYR   6           HE2      TYR   6  -7.532  12.679   4.142
   38    HH   TYR   6           HH       TYR   6  -8.122  10.863   5.663
   39    H    TYR   7           H        TYR   7  -8.705   9.694  -1.220
   40    HA   TYR   7           HA       TYR   7  -8.816   9.568  -4.163
   41   1HB   TYR   7          HB2       TYR   7  -6.896   8.839  -2.013
   42   2HB   TYR   7          HB3       TYR   7  -7.278   7.509  -2.897
   43    HD1  TYR   7           HD1      TYR   7  -7.229  10.632  -4.994
   44    HD2  TYR   7           HD2      TYR   7  -4.674   7.725  -3.073
   45    HE1  TYR   7           HE1      TYR   7  -5.279  11.883  -5.702
   46    HE2  TYR   7           HE2      TYR   7  -2.712   9.036  -3.772
   47    HH   TYR   7           HH       TYR   7  -2.225  11.244  -4.033
   48    H    THR   8           H        THR   8 -10.142   8.067  -4.911
   49    HA   THR   8           HA       THR   8 -12.123   7.077  -2.980
   50    HB   THR   8           HB       THR   8 -13.371   6.606  -5.160
   51    HG1  THR   8           HG1      THR   8 -12.367   7.602  -7.007
   52   1HG2  THR   8          HG21      THR   8 -12.275   9.432  -4.771
   53   2HG2  THR   8          HG22      THR   8 -13.773   8.995  -5.616
   54   3HG2  THR   8          HG23      THR   8 -13.634   8.719  -3.865
   55    H    LEU   9           H        LEU   9 -12.867   4.848  -2.968
   56    HA   LEU   9           HA       LEU   9 -10.958   2.819  -3.221
   57   1HB   LEU   9          HB2       LEU   9 -12.654   2.298  -1.961
   58   2HB   LEU   9          HB3       LEU   9 -13.947   2.866  -3.025
   59    HG   LEU   9           HG       LEU   9 -12.244   0.433  -3.734
   60   1HD1  LEU   9          HD11      LEU   9 -13.873  -1.007  -2.593
   61   2HD1  LEU   9          HD12      LEU   9 -13.032   0.046  -1.446
   62   3HD1  LEU   9          HD13      LEU   9 -14.697   0.427  -1.939
   63   1HD2  LEU   9          HD21      LEU   9 -15.147   1.216  -4.332
   64   2HD2  LEU   9          HD22      LEU   9 -13.819   1.212  -5.509
   65   3HD2  LEU   9          HD23      LEU   9 -14.383  -0.304  -4.822
   66    H    GLU  10           H        GLU  10 -13.184   4.082  -5.727
   67    HA   GLU  10           HA       GLU  10 -12.613   2.403  -7.858
   68   1HB   GLU  10          HB2       GLU  10 -14.050   4.410  -8.092
   69   2HB   GLU  10          HB3       GLU  10 -12.661   5.470  -7.887
   70   1HG   GLU  10          HG2       GLU  10 -11.595   4.431  -9.906
   71   2HG   GLU  10          HG3       GLU  10 -13.068   3.498 -10.174
   72    H    GLU  11           H        GLU  11 -10.688   5.314  -6.966
   73    HA   GLU  11           HA       GLU  11  -8.676   4.721  -8.901
   74   1HB   GLU  11          HB2       GLU  11  -8.599   6.459  -6.358
   75   2HB   GLU  11          HB3       GLU  11  -7.241   6.266  -7.425
   76   1HG   GLU  11          HG2       GLU  11  -9.986   7.313  -8.315
   77   2HG   GLU  11          HG3       GLU  11  -8.646   8.344  -7.805
   78    H    ILE  12           H        ILE  12  -9.008   4.009  -5.465
   79    HA   ILE  12           HA       ILE  12  -6.329   3.286  -5.316
   80    HB   ILE  12           HB       ILE  12  -8.698   2.518  -3.530
   81   1HG1  ILE  12          HG12      ILE  12  -6.484   4.491  -2.866
   82   2HG1  ILE  12          HG13      ILE  12  -7.809   5.032  -3.879
   83   1HG2  ILE  12          HG21      ILE  12  -5.733   2.083  -3.116
   84   2HG2  ILE  12          HG22      ILE  12  -6.877   2.228  -1.772
   85   3HG2  ILE  12          HG23      ILE  12  -7.088   0.925  -2.942
   86   1HD1  ILE  12          HD11      ILE  12  -8.074   3.956  -1.045
   87   2HD1  ILE  12          HD12      ILE  12  -8.293   5.610  -1.638
   88   3HD1  ILE  12          HD13      ILE  12  -9.437   4.345  -2.110
   89    H    GLN  13           H        GLU  13  -9.242   1.341  -5.909
   90    HA   GLN  13           HA       GLU  13  -8.029  -1.212  -6.239
   91   1HB   GLN  13          HB2       GLU  13 -10.439   0.123  -7.541
   92   2HB   GLN  13          HB3       GLU  13  -9.948  -1.522  -7.938
   93   1HG   GLN  13          HG2       GLU  13 -10.213  -2.213  -5.594
   94   2HG   GLN  13          HG3       GLU  13 -10.654  -0.566  -5.133
   95    H    LYS  14           H        LYS  14  -8.698   1.407  -8.545
   96    HA   LYS  14           HA       LYS  14  -7.815   0.359 -10.929
   97   1HB   LYS  14          HB2       LYS  14  -8.922   2.598 -10.346
   98   2HB   LYS  14          HB3       LYS  14  -7.334   3.196  -9.970
   99   1HG   LYS  14          HG2       LYS  14  -7.413   4.039 -12.009
  100   2HG   LYS  14          HG3       LYS  14  -6.875   2.435 -12.503
  101   1HD   LYS  14          HD2       LYS  14  -8.737   3.213 -13.905
  102   2HD   LYS  14          HD3       LYS  14  -9.204   1.786 -12.985
  103   1HE   LYS  14          HE2       LYS  14 -11.010   3.467 -13.166
  104   2HE   LYS  14          HE3       LYS  14 -10.632   3.084 -11.505
  105   1HZ   LYS  14          HZ1       LYS  14  -9.479   5.256 -11.341
  106   2HZ   LYS  14          HZ2       LYS  14  -9.739   5.532 -12.926
  107   3HZ   LYS  14          HZ3       LYS  14 -10.997   5.417 -11.898
  108    H    HIS  15           H        HIS  15  -5.848   2.042  -8.442
  109    HA   HIS  15           HA       HIS  15  -3.325   1.570  -9.872
  110   1HB   HIS  15          HB2       HIS  15  -4.060   2.842  -7.234
  111   2HB   HIS  15          HB3       HIS  15  -2.396   2.504  -7.774
  112    HD1  HIS  15           HD1      HIS  15  -1.267   4.460  -8.853
  113    HD2  HIS  15           HD2      HIS  15  -5.434   4.412  -9.410
  114    HE1  HIS  15           HE1      HIS  15  -1.832   6.463 -10.335
  115    H    ASN  16           H        ASN  16  -3.991  -0.802  -9.839
  116    HA   ASN  16           HA       ASN  16  -1.906  -1.899  -8.061
  117   1HB   ASN  16          HB2       ASN  16  -3.049  -3.736  -7.166
  118   2HB   ASN  16          HB3       ASN  16  -3.999  -2.295  -6.798
  119   1HD2  ASN  16          HD21      ASN  16  -5.458  -4.333  -6.359
  120   2HD2  ASN  16          HD22      ASN  16  -6.520  -4.734  -7.703
  121    H    ASN  17           H        ASN  17  -2.219  -1.304 -10.950
  122    HA   ASN  17           HA       ASN  17  -0.803  -3.620 -11.843
  123   1HB   ASN  17          HB2       ASN  17  -3.143  -4.584 -11.897
  124   2HB   ASN  17          HB3       ASN  17  -3.563  -3.383 -13.111
  125   1HD2  ASN  17          HD21      ASN  17  -2.305  -3.434 -15.154
  126   2HD2  ASN  17          HD22      ASN  17  -1.642  -4.977 -15.708
  127    H    SER  18           H        SER  18   0.674  -2.006 -12.421
  128    HA   SER  18           HA       SER  18   1.954  -1.289 -14.153
  129   1HB   SER  18          HB2       SER  18  -0.343  -1.857 -16.075
  130   2HB   SER  18          HB3       SER  18   1.368  -1.643 -16.444
  131    HG   SER  18           HG       SER  18   0.208  -3.741 -14.913
  132    H    LYS  19           H        LYS  19   0.958   0.393 -12.562
  133    HA   LYS  19           HA       LYS  19   0.190   2.884 -13.885
  134   1HB   LYS  19          HB2       LYS  19  -1.655   1.051 -12.248
  135   2HB   LYS  19          HB3       LYS  19  -1.847   2.779 -12.153
  136   1HG   LYS  19          HG2       LYS  19  -2.179   1.037 -14.634
  137   2HG   LYS  19          HG3       LYS  19  -3.439   1.821 -13.685
  138   1HD   LYS  19          HD2       LYS  19  -2.392   4.063 -14.263
  139   2HD   LYS  19          HD3       LYS  19  -1.316   3.197 -15.390
  140   1HE   LYS  19          HE2       LYS  19  -3.264   2.313 -16.621
  141   2HE   LYS  19          HE3       LYS  19  -4.361   3.180 -15.529
  142   1HZ   LYS  19          HZ1       LYS  19  -2.367   4.437 -17.300
  143   2HZ   LYS  19          HZ2       LYS  19  -3.989   4.387 -17.560
  144   3HZ   LYS  19          HZ3       LYS  19  -3.389   5.241 -16.290
  145    H    SER  20           H        SER  20  -0.268   1.317 -10.693
  146    HA   SER  20           HA       SER  20   2.214   1.906  -9.683
  147   1HB   SER  20          HB2       SER  20   0.244   3.233  -7.901
  148   2HB   SER  20          HB3       SER  20   1.914   3.670  -8.248
  149    HG   SER  20           HG       SER  20   1.095   4.496 -10.290
  150    H    THR  21           H        THR  21   1.955   1.141  -7.313
  151    HA   THR  21           HA       THR  21  -0.343  -0.754  -6.963
  152    HB   THR  21           HB       THR  21   2.494  -1.191  -5.976
  153    HG1  THR  21           HG1      THR  21   2.179  -1.382  -8.252
  154   1HG2  THR  21          HG21      THR  21   0.777  -2.265  -4.547
  155   2HG2  THR  21          HG22      THR  21  -0.011  -2.929  -6.006
  156   3HG2  THR  21          HG23      THR  21   1.585  -3.504  -5.524
  157    H    TRP  22           H        TRP  22  -1.656   0.361  -5.724
  158    HA   TRP  22           HA       TRP  22  -0.763   2.112  -3.504
  159   1HB   TRP  22          HB2       TRP  22  -3.206   1.795  -5.253
  160   2HB   TRP  22          HB3       TRP  22  -3.349   2.618  -3.759
  161    HD1  TRP  22           HD1      TRP  22  -0.103   3.264  -5.553
  162    HE1  TRP  22           HE1      TRP  22  -0.059   5.504  -6.631
  163    HE3  TRP  22           HE3      TRP  22  -4.897   4.586  -4.569
  164    HZ2  TRP  22           HZ2      TRP  22  -2.117   7.582  -7.375
  165    HZ3  TRP  22           HZ3      TRP  22  -5.915   6.589  -5.604
  166    HH2  TRP  22           HH2      TRP  22  -4.592   8.028  -7.093
  167    H    LEU  23           H        LEU  23  -1.512   1.574  -1.311
  168    HA   LEU  23           HA       LEU  23  -3.611  -0.527  -1.118
  169   1HB   LEU  23          HB2       LEU  23  -1.589  -0.844   1.002
  170   2HB   LEU  23          HB3       LEU  23  -2.492  -2.021   0.111
  171    HG   LEU  23           HG       LEU  23  -0.714  -1.316  -1.820
  172   1HD1  LEU  23          HD11      LEU  23   0.242   0.351  -0.171
  173   2HD1  LEU  23          HD12      LEU  23   0.825  -1.033   0.775
  174   3HD1  LEU  23          HD13      LEU  23   1.365  -0.797  -0.910
  175   1HD2  LEU  23          HD21      LEU  23  -1.042  -3.634  -1.015
  176   2HD2  LEU  23          HD22      LEU  23   0.682  -3.223  -1.100
  177   3HD2  LEU  23          HD23      LEU  23  -0.152  -3.244   0.469
  178    H    ILE  24           H        ILE  24  -4.676  -0.542   1.018
  179    HA   ILE  24           HA       ILE  24  -4.516   2.156   2.282
  180    HB   ILE  24           HB       ILE  24  -6.715   0.059   2.333
  181   1HG1  ILE  24          HG12      ILE  24  -7.060   2.676   0.924
  182   2HG1  ILE  24          HG13      ILE  24  -6.345   1.268   0.122
  183   1HG2  ILE  24          HG21      ILE  24  -6.705   2.920   3.381
  184   2HG2  ILE  24          HG22      ILE  24  -8.131   1.871   3.351
  185   3HG2  ILE  24          HG23      ILE  24  -6.766   1.453   4.379
  186   1HD1  ILE  24          HD11      ILE  24  -9.020   1.002   1.493
  187   2HD1  ILE  24          HD12      ILE  24  -8.830   1.482  -0.211
  188   3HD1  ILE  24          HD13      ILE  24  -8.235  -0.082   0.353
  189    H    LEU  25           H        LEU  25  -3.567   2.351   4.075
  190    HA   LEU  25           HA       LEU  25  -3.463   0.151   6.112
  191   1HB   LEU  25          HB2       LEU  25  -1.320   1.853   4.990
  192   2HB   LEU  25          HB3       LEU  25  -1.219   1.350   6.677
  193    HG   LEU  25           HG       LEU  25  -1.138  -0.986   6.008
  194   1HD1  LEU  25          HD11      LEU  25  -2.361  -1.143   3.991
  195   2HD1  LEU  25          HD12      LEU  25  -1.371   0.098   3.176
  196   3HD1  LEU  25          HD13      LEU  25  -0.698  -1.506   3.550
  197   1HD2  LEU  25          HD21      LEU  25   0.809   0.761   4.430
  198   2HD2  LEU  25          HD22      LEU  25   0.951   0.393   6.157
  199   3HD2  LEU  25          HD23      LEU  25   1.102  -0.909   4.957
  200    H    HIS  26           H        HIS  26  -5.210   1.100   7.247
  201    HA   HIS  26           HA       HIS  26  -6.036   2.398   8.946
  202   1HB   HIS  26          HB2       HIS  26  -3.603   4.194   9.046
  203   2HB   HIS  26          HB3       HIS  26  -4.660   3.666  10.341
  204    HD1  HIS  26           HD1      HIS  26  -4.250   0.793  10.821
  205    HD2  HIS  26           HD2      HIS  26  -1.312   3.067   8.839
  206    HE1  HIS  26           HE1      HIS  26  -2.122  -0.580  10.835
  207    H    TYR  27           H        TYR  27  -7.149   2.946   6.699
  208    HA   TYR  27           HA       TYR  27  -8.306   4.397   5.432
  209   1HB   TYR  27          HB2       TYR  27  -7.643   6.345   7.645
  210   2HB   TYR  27          HB3       TYR  27  -8.132   6.947   6.077
  211    HD1  TYR  27           HD1      TYR  27 -10.318   6.960   5.278
  212    HD2  TYR  27           HD2      TYR  27  -9.326   4.967   8.972
  213    HE1  TYR  27           HE1      TYR  27 -12.651   7.226   6.047
  214    HE2  TYR  27           HE2      TYR  27 -11.679   5.188   9.715
  215    HH   TYR  27           HH       TYR  27 -13.801   5.977   9.186
  216    H    LYS  28           H        LYS  28  -5.045   5.680   6.259
  217    HA   LYS  28           HA       LYS  28  -4.918   7.333   3.932
  218   1HB   LYS  28          HB2       LYS  28  -2.784   6.245   5.768
  219   2HB   LYS  28          HB3       LYS  28  -2.398   7.163   4.308
  220   1HG   LYS  28          HG2       LYS  28  -2.380   8.605   6.220
  221   2HG   LYS  28          HG3       LYS  28  -3.673   9.087   5.120
  222   1HD   LYS  28          HD2       LYS  28  -5.362   8.080   6.587
  223   2HD   LYS  28          HD3       LYS  28  -4.085   7.226   7.464
  224   1HE   LYS  28          HE2       LYS  28  -4.873   8.971   8.880
  225   2HE   LYS  28          HE3       LYS  28  -3.251   9.439   8.345
  226   1HZ   LYS  28          HZ1       LYS  28  -4.922  11.261   8.225
  227   2HZ   LYS  28          HZ2       LYS  28  -4.326  10.933   6.720
  228   3HZ   LYS  28          HZ3       LYS  28  -5.759  10.401   7.082
  229    H    VAL  29           H        VAL  29  -3.374   6.999   2.140
  230    HA   VAL  29           HA       VAL  29  -3.559   4.241   0.995
  231    HB   VAL  29           HB       VAL  29  -3.995   6.903  -0.378
  232   1HG1  VAL  29          HG11      VAL  29  -2.763   5.418  -1.885
  233   2HG1  VAL  29          HG12      VAL  29  -3.894   4.094  -1.535
  234   3HG1  VAL  29          HG13      VAL  29  -4.454   5.559  -2.372
  235   1HG2  VAL  29          HG21      VAL  29  -6.207   6.094  -0.782
  236   2HG2  VAL  29          HG22      VAL  29  -5.802   4.465  -0.188
  237   3HG2  VAL  29          HG23      VAL  29  -5.932   5.811   0.951
  238    H    TYR  30           H        TYR  30  -1.755   3.415   0.087
  239    HA   TYR  30           HA       TYR  30   0.779   4.929   0.537
  240   1HB   TYR  30          HB2       TYR  30  -0.262   2.149   1.190
  241   2HB   TYR  30          HB3       TYR  30   1.425   2.500   1.286
  242    HD1  TYR  30           HD1      TYR  30   2.265   3.761   3.271
  243    HD2  TYR  30           HD2      TYR  30  -1.952   3.320   2.578
  244    HE1  TYR  30           HE1      TYR  30   1.759   4.600   5.585
  245    HE2  TYR  30           HE2      TYR  30  -2.407   4.302   4.763
  246    HH   TYR  30           HH       TYR  30  -1.546   4.406   6.833
  247    H    ASP  31           H        ASP  31   1.941   5.086  -1.396
  248    HA   ASP  31           HA       ASP  31   1.418   3.093  -3.568
  249   1HB   ASP  31          HB2       ASP  31   1.326   5.666  -3.964
  250   2HB   ASP  31          HB3       ASP  31   3.095   5.589  -3.821
  251    H    LEU  32           H        LEU  32   3.104   1.732  -4.109
  252    HA   LEU  32           HA       LEU  32   5.724   2.263  -2.748
  253   1HB   LEU  32          HB2       LEU  32   5.080  -0.603  -3.115
  254   2HB   LEU  32          HB3       LEU  32   5.939   0.266  -1.829
  255    HG   LEU  32           HG       LEU  32   2.960   0.066  -2.082
  256   1HD1  LEU  32          HD11      LEU  32   4.221  -2.036  -1.444
  257   2HD1  LEU  32          HD12      LEU  32   5.004  -1.138  -0.122
  258   3HD1  LEU  32          HD13      LEU  32   3.265  -1.444  -0.085
  259   1HD2  LEU  32          HD21      LEU  32   3.651   0.846   0.537
  260   2HD2  LEU  32          HD22      LEU  32   4.647   1.854  -0.538
  261   3HD2  LEU  32          HD23      LEU  32   2.879   1.834  -0.697
  262    H    THR  33           H        THR  33   4.284   0.340  -5.346
  263    HA   THR  33           HA       THR  33   5.078  -0.482  -7.278
  264    HB   THR  33           HB       THR  33   5.583   2.510  -7.572
  265    HG1  THR  33           HG1      THR  33   3.577   2.421  -6.826
  266   1HG2  THR  33          HG21      THR  33   6.227   1.227  -9.607
  267   2HG2  THR  33          HG22      THR  33   4.662   0.386  -9.572
  268   3HG2  THR  33          HG23      THR  33   4.730   2.135  -9.872
  269    H    LYS  34           H        LYS  34   7.832   1.730  -6.389
  270    HA   LYS  34           HA       LYS  34   9.698  -0.037  -7.870
  271   1HB   LYS  34          HB2       LYS  34  10.124   2.168  -5.807
  272   2HB   LYS  34          HB3       LYS  34  11.394   1.146  -6.491
  273   1HG   LYS  34          HG2       LYS  34  10.694   1.933  -8.807
  274   2HG   LYS  34          HG3       LYS  34   9.573   3.050  -8.019
  275   1HD   LYS  34          HD2       LYS  34  11.553   4.283  -8.552
  276   2HD   LYS  34          HD3       LYS  34  11.519   4.075  -6.791
  277   1HE   LYS  34          HE2       LYS  34  13.183   2.200  -6.988
  278   2HE   LYS  34          HE3       LYS  34  13.141   2.351  -8.750
  279   1HZ   LYS  34          HZ1       LYS  34  14.089   4.390  -6.847
  280   2HZ   LYS  34          HZ2       LYS  34  15.029   3.408  -7.767
  281   3HZ   LYS  34          HZ3       LYS  34  14.086   4.548  -8.489
  282    H    PHE  35           H        PHE  35   8.275   0.347  -4.656
  283    HA   PHE  35           HA       PHE  35  10.368  -1.058  -3.289
  284   1HB   PHE  35          HB2       PHE  35   8.456   0.604  -2.386
  285   2HB   PHE  35          HB3       PHE  35   7.576  -0.927  -2.227
  286    HD1  PHE  35           HD1      PHE  35  10.844   0.707  -1.333
  287    HD2  PHE  35           HD2      PHE  35   7.889  -2.250  -0.262
  288    HE1  PHE  35           HE1      PHE  35  12.126   0.162   0.715
  289    HE2  PHE  35           HE2      PHE  35   9.197  -2.806   1.758
  290    HZ   PHE  35           HZ       PHE  35  11.325  -1.621   2.245
  291    H    LEU  36           H        LEU  36   7.545  -2.041  -4.940
  292    HA   LEU  36           HA       LEU  36   7.001  -4.682  -4.417
  293   1HB   LEU  36          HB2       LEU  36   7.742  -3.360  -7.070
  294   2HB   LEU  36          HB3       LEU  36   6.799  -4.814  -6.913
  295    HG   LEU  36           HG       LEU  36   5.899  -2.099  -6.093
  296   1HD1  LEU  36          HD11      LEU  36   4.216  -2.553  -7.865
  297   2HD1  LEU  36          HD12      LEU  36   5.828  -2.803  -8.546
  298   3HD1  LEU  36          HD13      LEU  36   4.854  -4.188  -8.077
  299   1HD2  LEU  36          HD21      LEU  36   3.770  -3.126  -5.486
  300   2HD2  LEU  36          HD22      LEU  36   4.500  -4.738  -5.601
  301   3HD2  LEU  36          HD23      LEU  36   5.070  -3.562  -4.390
  302    H    GLU  37           H        GLU  37   9.989  -3.433  -6.006
  303    HA   GLU  37           HA       GLU  37  11.267  -6.041  -6.141
  304   1HB   GLU  37          HB2       GLU  37  12.309  -3.168  -6.303
  305   2HB   GLU  37          HB3       GLU  37  13.300  -4.596  -6.554
  306   1HG   GLU  37          HG2       GLU  37  10.803  -4.017  -8.221
  307   2HG   GLU  37          HG3       GLU  37  12.428  -3.471  -8.653
  308    H    GLU  38           H        GLU  38  11.710  -3.142  -4.107
  309    HA   GLU  38           HA       GLU  38  13.799  -4.246  -2.530
  310   1HB   GLU  38          HB2       GLU  38  12.026  -1.885  -1.868
  311   2HB   GLU  38          HB3       GLU  38  13.671  -2.196  -1.342
  312   1HG   GLU  38          HG2       GLU  38  12.879  -1.560  -4.250
  313   2HG   GLU  38          HG3       GLU  38  13.434  -0.387  -3.066
  314    H    HIS  39           HN       HIS  39  11.172  -5.721  -2.261
  315    HA   HIS  39           HA       HIS  39  10.546  -5.310   0.649
  316   1HB   HIS  39          HB2       HIS  39   8.795  -4.499  -0.772
  317   2HB   HIS  39          HB3       HIS  39   8.715  -6.032  -1.651
  318    HD1  HIS  39           HD1      HIS  39   6.654  -7.377  -0.781
  319    HD2  HIS  39           HD2      HIS  39   8.518  -4.964   2.111
  320    HE1  HIS  39           HE1      HIS  39   5.316  -7.644   1.362
  321    HA   PRO  40           HA       PRO  40  11.338  -9.842   0.943
  322   1HB   PRO  40          HB2       PRO  40  10.467  -9.140   3.737
  323   2HB   PRO  40          HB3       PRO  40  11.809 -10.188   3.217
  324   1HG   PRO  40          HG2       PRO  40  12.294  -7.686   4.173
  325   2HG   PRO  40          HG3       PRO  40  13.184  -8.283   2.737
  326   1HD   PRO  40          HD2       PRO  40  10.710  -6.530   2.790
  327   2HD   PRO  40          HD3       PRO  40  12.242  -6.275   1.891
  328    H    GLY  41           H        GLY  41   9.543 -10.728  -0.078
  329   1HA   GLY  41          HA1       GLY  41   6.983 -11.319   0.570
  330   2HA   GLY  41          HA2       GLY  41   6.877  -9.581   0.459
  331    H    GLY  42           H        GLY  42   8.720  -8.940  -1.533
  332   1HA   GLY  42          HA1       GLY  42   8.830  -8.702  -3.845
  333   2HA   GLY  42          HA2       GLY  42   8.100 -10.312  -4.005
  334    H    GLU  43           H        GLU  43   7.286  -8.771  -5.816
  335    HA   GLU  43           HA       GLU  43   5.336  -6.819  -5.261
  336   1HB   GLU  43          HB2       GLU  43   6.489  -6.849  -7.332
  337   2HB   GLU  43          HB3       GLU  43   5.972  -8.435  -7.756
  338   1HG   GLU  43          HG2       GLU  43   3.612  -7.788  -7.925
  339   2HG   GLU  43          HG3       GLU  43   4.014  -6.134  -7.462
  340    H    GLU  44           H        GLU  44   4.797 -10.171  -6.476
  341    HA   GLU  44           HA       GLU  44   2.169  -9.974  -6.886
  342   1HB   GLU  44          HB2       GLU  44   3.543 -12.473  -5.778
  343   2HB   GLU  44          HB3       GLU  44   1.991 -12.425  -6.627
  344   1HG   GLU  44          HG2       GLU  44   3.155 -11.426  -8.623
  345   2HG   GLU  44          HG3       GLU  44   4.709 -11.674  -7.803
  346    H    VAL  45           H        VAL  45   3.410 -11.112  -3.702
  347    HA   VAL  45           HA       VAL  45   0.802 -11.311  -2.537
  348    HB   VAL  45           HB       VAL  45   2.975 -12.436  -1.831
  349   1HG1  VAL  45          HG11      VAL  45   4.441 -11.348  -0.275
  350   2HG1  VAL  45          HG12      VAL  45   4.331 -10.307  -1.708
  351   3HG1  VAL  45          HG13      VAL  45   3.449  -9.884  -0.230
  352   1HG2  VAL  45          HG21      VAL  45   0.929 -12.644  -0.520
  353   2HG2  VAL  45          HG22      VAL  45   2.351 -12.545   0.539
  354   3HG2  VAL  45          HG23      VAL  45   1.294 -11.139   0.339
  355    H    LEU  46           H        LEU  46   2.946  -8.485  -2.948
  356    HA   LEU  46           HA       LEU  46   1.385  -6.826  -1.080
  357   1HB   LEU  46          HB2       LEU  46   3.257  -6.122  -3.389
  358   2HB   LEU  46          HB3       LEU  46   2.376  -4.937  -2.448
  359    HG   LEU  46           HG       LEU  46   4.319  -6.905  -1.180
  360   1HD1  LEU  46          HD11      LEU  46   4.727  -4.087  -2.257
  361   2HD1  LEU  46          HD12      LEU  46   5.884  -4.892  -1.199
  362   3HD1  LEU  46          HD13      LEU  46   5.544  -5.568  -2.803
  363   1HD2  LEU  46          HD21      LEU  46   3.047  -4.269  -0.267
  364   2HD2  LEU  46          HD22      LEU  46   2.742  -5.886   0.398
  365   3HD2  LEU  46          HD23      LEU  46   4.326  -5.123   0.608
  366    H    ARG  47           H        ARG  47   1.538  -7.437  -4.604
  367    HA   ARG  47           HA       ARG  47  -0.339  -5.461  -5.152
  368   1HB   ARG  47          HB2       ARG  47   1.411  -6.537  -6.694
  369   2HB   ARG  47          HB3       ARG  47   0.186  -7.747  -7.069
  370   1HG   ARG  47          HG2       ARG  47  -1.083  -6.268  -8.294
  371   2HG   ARG  47          HG3       ARG  47  -0.863  -4.950  -7.161
  372   1HD   ARG  47          HD2       ARG  47   0.258  -4.165  -9.083
  373   2HD   ARG  47          HD3       ARG  47   1.507  -4.645  -7.962
  374    HE   ARG  47           HE       ARG  47   2.251  -6.209  -9.479
  375   1HH1  ARG  47          HH22      ARG  47  -1.129  -5.472 -10.316
  376   2HH1  ARG  47          HH21      ARG  47  -1.038  -6.324 -11.845
  377   1HH2  ARG  47          HH11      ARG  47   2.384  -7.249 -11.265
  378   2HH2  ARG  47          HH12      ARG  47   1.042  -7.503 -12.397
  379    H    GLU  48           H        GLU  48  -0.692  -8.894  -4.673
  380    HA   GLU  48           HA       GLU  48  -3.343  -9.566  -5.042
  381   1HB   GLU  48          HB2       GLU  48  -1.572 -11.050  -4.212
  382   2HB   GLU  48          HB3       GLU  48  -1.375 -10.043  -2.778
  383   1HG   GLU  48          HG2       GLU  48  -3.705 -10.696  -2.092
  384   2HG   GLU  48          HG3       GLU  48  -3.679 -11.904  -3.396
  385    H    GLN  49           H        GLN  49  -1.925  -7.758  -2.269
  386    HA   GLN  49           HA       GLN  49  -4.552  -7.348  -1.010
  387   1HB   GLN  49          HB2       GLN  49  -1.772  -6.314  -0.306
  388   2HB   GLN  49          HB3       GLN  49  -3.205  -6.212   0.712
  389   1HG   GLN  49          HG2       GLN  49  -1.872  -8.818  -0.201
  390   2HG   GLN  49          HG3       GLN  49  -1.664  -8.028   1.364
  391   1HE2  GLN  49          HE21      GLN  49  -3.133 -10.676   0.135
  392   2HE2  GLN  49          HE22      GLN  49  -4.590 -10.662   1.112
  393    H    ALA  50           H        ALA  50  -2.192  -5.575  -2.909
  394    HA   ALA  50           HA       ALA  50  -2.928  -2.932  -2.424
  395   1HB   ALA  50          HB1       ALA  50  -1.982  -4.082  -5.050
  396   2HB   ALA  50          HB2       ALA  50  -1.800  -2.419  -4.517
  397   3HB   ALA  50          HB3       ALA  50  -0.917  -3.703  -3.661
  398    H    GLY  51           H        GLY  51  -4.098  -1.427  -3.585
  399   1HA   GLY  51          HA1       GLY  51  -6.123  -0.619  -4.166
  400   2HA   GLY  51          HA2       GLY  51  -6.151  -1.826  -5.452
  401    H    GLY  52           H        GLY  52  -5.834  -1.898  -1.850
  402   1HA   GLY  52          HA1       GLY  52  -8.529  -2.170  -1.225
  403   2HA   GLY  52          HA2       GLY  52  -7.775  -3.790  -1.281
  404    H    ASP  53           H        ASP  53  -8.758  -2.828   0.869
  405    HA   ASP  53           HA       ASP  53  -7.342  -1.782   3.008
  406   1HB   ASP  53          HB2       ASP  53  -9.189  -4.174   3.077
  407   2HB   ASP  53          HB3       ASP  53  -8.863  -3.019   4.378
  408    H    ALA  54           H        ALA  54  -5.129  -2.250   3.046
  409    HA   ALA  54           HA       ALA  54  -4.364  -5.139   3.459
  410   1HB   ALA  54          HB1       ALA  54  -3.332  -4.055   1.503
  411   2HB   ALA  54          HB2       ALA  54  -2.651  -2.806   2.548
  412   3HB   ALA  54          HB3       ALA  54  -2.144  -4.498   2.746
  413    H    THR  55           H        THR  55  -5.475  -2.840   5.272
  414    HA   THR  55           HA       THR  55  -3.396  -1.932   6.920
  415    HB   THR  55           HB       THR  55  -6.386  -2.234   7.563
  416    HG1  THR  55           HG1      THR  55  -5.454  -0.867   5.644
  417   1HG2  THR  55          HG21      THR  55  -4.998  -1.713   9.566
  418   2HG2  THR  55          HG22      THR  55  -4.175  -0.448   8.615
  419   3HG2  THR  55          HG23      THR  55  -5.899  -0.272   9.047
  420    H    GLU  56           H        GLU  56  -5.751  -4.627   7.580
  421    HA   GLU  56           HA       GLU  56  -4.659  -5.313  10.097
  422   1HB   GLU  56          HB2       GLU  56  -6.257  -6.952   8.049
  423   2HB   GLU  56          HB3       GLU  56  -6.000  -7.363   9.746
  424   1HG   GLU  56          HG2       GLU  56  -7.171  -5.266  10.424
  425   2HG   GLU  56          HG3       GLU  56  -7.490  -4.888   8.722
  426    H    ASN  57           H        ASN  57  -4.264  -6.604   6.787
  427    HA   ASN  57           HA       ASN  57  -2.461  -8.637   7.302
  428   1HB   ASN  57          HB2       ASN  57  -3.681  -7.951   5.148
  429   2HB   ASN  57          HB3       ASN  57  -2.302  -6.890   4.818
  430   1HD2  ASN  57          HD21      ASN  57  -3.335  -9.356   3.423
  431   2HD2  ASN  57          HD22      ASN  57  -1.975 -10.473   3.404
  432    H    PHE  58           H        PHE  58  -1.691  -5.173   6.699
  433    HA   PHE  58           HA       PHE  58   1.126  -5.408   6.826
  434   1HB   PHE  58          HB2       PHE  58  -0.100  -3.420   6.033
  435   2HB   PHE  58          HB3       PHE  58  -0.653  -3.094   7.669
  436    HD1  PHE  58           HD1      PHE  58   2.622  -3.768   5.892
  437    HD2  PHE  58           HD2      PHE  58   0.480  -1.332   8.739
  438    HE1  PHE  58           HE1      PHE  58   4.591  -2.284   6.111
  439    HE2  PHE  58           HE2      PHE  58   2.417   0.210   8.848
  440    HZ   PHE  58           HZ       PHE  58   4.498  -0.295   7.593
  441    H    GLU  59           H        GLU  59  -1.210  -4.642   9.487
  442    HA   GLU  59           HA       GLU  59   0.751  -4.502  11.553
  443   1HB   GLU  59          HB2       GLU  59  -2.208  -5.285  11.611
  444   2HB   GLU  59          HB3       GLU  59  -1.257  -4.967  13.059
  445   1HG   GLU  59          HG2       GLU  59  -1.626  -2.893  10.864
  446   2HG   GLU  59          HG3       GLU  59  -2.733  -3.080  12.227
  447    H    ASP  60           H        ASP  60  -1.186  -7.133  10.365
  448    HA   ASP  60           HA       ASP  60  -0.837  -9.188  12.166
  449   1HB   ASP  60          HB2       ASP  60  -2.433  -9.107  10.195
  450   2HB   ASP  60          HB3       ASP  60  -1.047  -9.295   9.129
  451    H    HIS  61           H        HIS  61   1.116  -8.380   9.299
  452    HA   HIS  61           HA       HIS  61   3.125 -10.408   9.795
  453   1HB   HIS  61          HB2       HIS  61   2.866  -8.058   7.921
  454   2HB   HIS  61          HB3       HIS  61   4.349  -9.028   7.974
  455    HD1  HIS  61           HD1      HIS  61   0.585  -9.486   7.171
  456    HD2  HIS  61           HD2      HIS  61   4.308 -11.447   6.938
  457    HE1  HIS  61           HE1      HIS  61   0.190 -11.685   5.933
  458    H    GLY  62           H        GLY  62   2.617  -7.702  11.666
  459   1HA   GLY  62          HA1       GLY  62   3.897  -6.674  13.234
  460   2HA   GLY  62          HA2       GLY  62   4.976  -8.074  13.107
  461    H    HIS  63           HN       HIS  63   4.176  -5.555  10.696
  462    HA   HIS  63           HA       HIS  63   6.816  -5.307   9.758
  463   1HB   HIS  63          HB2       HIS  63   4.321  -3.610   9.509
  464   2HB   HIS  63          HB3       HIS  63   5.852  -3.054   8.842
  465    HD1  HIS  63           HD1      HIS  63   3.288  -5.836   8.266
  466    HD2  HIS  63           HD2      HIS  63   6.873  -4.255   6.753
  467    HE1  HIS  63           HE1      HIS  63   3.616  -6.875   5.958
  468    H    SER  64           H        SER  64   8.517  -4.022  10.166
  469    HA   SER  64           HA       SER  64   8.776  -3.190  12.874
  470   1HB   SER  64          HB2       SER  64  10.599  -4.180  11.456
  471   2HB   SER  64          HB3       SER  64  10.710  -2.649  10.576
  472    HG   SER  64           HG       SER  64  11.937  -1.993  12.200
  473    H    THR  65           H        THR  65   9.956  -1.126  13.393
  474    HA   THR  65           HA       THR  65   8.386   1.223  13.201
  475    HB   THR  65           HB       THR  65  10.919   2.100  13.755
  476    HG1  THR  65           HG1      THR  65  11.941   0.050  13.177
  477   1HG2  THR  65          HG21      THR  65   9.077   2.006  15.399
  478   2HG2  THR  65          HG22      THR  65   9.329   0.255  15.593
  479   3HG2  THR  65          HG23      THR  65  10.590   1.398  16.100
  480    H    ASP  66           H        ASP  66  11.164   0.021  11.431
  481    HA   ASP  66           HA       ASP  66  11.820   2.201   9.858
  482   1HB   ASP  66          HB2       ASP  66  12.152  -0.762   9.168
  483   2HB   ASP  66          HB3       ASP  66  13.207   0.580   8.717
  484    H    ALA  67           H        ALA  67   9.692  -0.573   9.235
  485    HA   ALA  67           HA       ALA  67   9.015   0.078   6.540
  486   1HB   ALA  67          HB1       ALA  67   8.868  -2.226   7.359
  487   2HB   ALA  67          HB2       ALA  67   7.685  -1.741   8.585
  488   3HB   ALA  67          HB3       ALA  67   7.258  -1.663   6.863
  489    H    ARG  68           H        ARG  68   7.671   0.622   9.776
  490    HA   ARG  68           HA       ARG  68   5.294   1.978   9.134
  491   1HB   ARG  68          HB2       ARG  68   6.786   1.409  11.460
  492   2HB   ARG  68          HB3       ARG  68   6.758   3.173  11.416
  493   1HG   ARG  68          HG2       ARG  68   4.828   2.675  12.609
  494   2HG   ARG  68          HG3       ARG  68   4.228   2.953  10.969
  495   1HD   ARG  68          HD2       ARG  68   4.733   0.264  10.829
  496   2HD   ARG  68          HD3       ARG  68   4.523   0.418  12.570
  497    HE   ARG  68           HE       ARG  68   2.433   1.686  10.910
  498   1HH1  ARG  68          HH22      ARG  68   3.294  -1.314  12.632
  499   2HH1  ARG  68          HH21      ARG  68   1.623  -1.751  12.902
  500   1HH2  ARG  68          HH11      ARG  68   0.210   0.888  11.077
  501   2HH2  ARG  68          HH12      ARG  68  -0.068  -0.267  12.334
  502    H    GLU  69           H        GLU  69   8.459   3.482   9.900
  503    HA   GLU  69           HA       GLU  69   7.944   6.082   9.129
  504   1HB   GLU  69          HB2       GLU  69  10.089   4.851  10.142
  505   2HB   GLU  69          HB3       GLU  69  10.633   4.859   8.465
  506   1HG   GLU  69          HG2       GLU  69  11.489   6.810   9.663
  507   2HG   GLU  69          HG3       GLU  69  10.320   7.361   8.450
  508    H    LEU  70           H        LEU  70   9.245   3.486   7.038
  509    HA   LEU  70           HA       LEU  70   9.224   4.895   4.656
  510   1HB   LEU  70          HB2       LEU  70   9.234   2.034   5.450
  511   2HB   LEU  70          HB3       LEU  70   8.402   2.252   3.970
  512    HG   LEU  70           HG       LEU  70  10.571   1.801   3.322
  513   1HD1  LEU  70          HD11      LEU  70   9.604   4.096   2.440
  514   2HD1  LEU  70          HD12      LEU  70  10.959   4.795   3.335
  515   3HD1  LEU  70          HD13      LEU  70  11.274   3.614   2.054
  516   1HD2  LEU  70          HD21      LEU  70  11.639   1.921   5.496
  517   2HD2  LEU  70          HD22      LEU  70  12.598   2.832   4.314
  518   3HD2  LEU  70          HD23      LEU  70  11.572   3.699   5.481
  519    H    SER  71           H        SER  71   6.476   3.224   6.199
  520    HA   SER  71           HA       SER  71   4.696   3.590   3.981
  521   1HB   SER  71          HB2       SER  71   3.054   2.643   5.316
  522   2HB   SER  71          HB3       SER  71   4.505   1.973   6.035
  523    HG   SER  71           HG       SER  71   4.360   3.764   7.561
  524    H    LYS  72           H        LYS  72   5.707   5.720   6.592
  525    HA   LYS  72           HA       LYS  72   3.602   7.667   6.247
  526   1HB   LYS  72          HB2       LYS  72   6.491   8.332   6.954
  527   2HB   LYS  72          HB3       LYS  72   5.036   9.269   7.279
  528   1HG   LYS  72          HG2       LYS  72   4.236   7.451   8.775
  529   2HG   LYS  72          HG3       LYS  72   5.750   6.579   8.496
  530   1HD   LYS  72          HD2       LYS  72   7.020   8.610   9.216
  531   2HD   LYS  72          HD3       LYS  72   5.506   9.366   9.738
  532   1HE   LYS  72          HE2       LYS  72   5.192   7.685  11.486
  533   2HE   LYS  72          HE3       LYS  72   6.441   6.652  10.775
  534   1HZ   LYS  72          HZ1       LYS  72   7.843   7.559  12.113
  535   2HZ   LYS  72          HZ2       LYS  72   7.853   8.818  11.200
  536   3HZ   LYS  72          HZ3       LYS  72   6.873   8.864  12.551
  537    H    THR  73           H        THR  73   6.884   7.378   4.913
  538    HA   THR  73           HA       THR  73   6.465   9.641   3.161
  539    HB   THR  73           HB       THR  73   8.730   8.932   3.922
  540    HG1  THR  73           HG1      THR  73   8.058   9.459   1.229
  541   1HG2  THR  73          HG21      THR  73  10.004   7.423   2.442
  542   2HG2  THR  73          HG22      THR  73   8.787   6.591   3.407
  543   3HG2  THR  73          HG23      THR  73   8.500   6.878   1.677
  544    H    PHE  74           H        PHE  74   5.580   6.293   2.802
  545    HA   PHE  74           HA       PHE  74   5.119   6.478  -0.086
  546   1HB   PHE  74          HB2       PHE  74   4.014   4.564   1.972
  547   2HB   PHE  74          HB3       PHE  74   3.940   4.361   0.235
  548    HD1  PHE  74           HD1      PHE  74   7.050   5.359  -0.056
  549    HD2  PHE  74           HD2      PHE  74   4.867   2.268   1.987
  550    HE1  PHE  74           HE1      PHE  74   9.042   3.900  -0.126
  551    HE2  PHE  74           HE2      PHE  74   6.753   0.723   1.625
  552    HZ   PHE  74           HZ       PHE  74   8.960   1.629   0.924
  553    H    ILE  75           H        ILE  75   3.381   7.673   2.687
  554    HA   ILE  75           HA       ILE  75   0.764   7.363   1.685
  555    HB   ILE  75           HB       ILE  75   1.925   9.490   3.476
  556   1HG1  ILE  75          HG12      ILE  75  -0.239   7.382   3.908
  557   2HG1  ILE  75          HG13      ILE  75   1.451   7.014   4.024
  558   1HG2  ILE  75          HG21      ILE  75  -0.419  10.246   3.930
  559   2HG2  ILE  75          HG22      ILE  75   0.105  10.665   2.308
  560   3HG2  ILE  75          HG23      ILE  75  -0.981   9.277   2.557
  561   1HD1  ILE  75          HD11      ILE  75  -0.075   8.998   5.769
  562   2HD1  ILE  75          HD12      ILE  75   0.646   7.458   6.266
  563   3HD1  ILE  75          HD13      ILE  75   1.687   8.821   5.797
  564    H    ILE  76           H        ILE  76  -0.362   8.141   0.087
  565    HA   ILE  76           HA       ILE  76   0.612  10.532  -1.476
  566    HB   ILE  76           HB       ILE  76  -0.414   9.227  -3.435
  567   1HG1  ILE  76          HG12      ILE  76   0.114   6.768  -1.747
  568   2HG1  ILE  76          HG13      ILE  76  -1.478   7.542  -1.667
  569   1HG2  ILE  76          HG21      ILE  76   2.099   8.108  -2.142
  570   2HG2  ILE  76          HG22      ILE  76   1.644   7.989  -3.853
  571   3HG2  ILE  76          HG23      ILE  76   1.998   9.566  -3.142
  572   1HD1  ILE  76          HD11      ILE  76  -0.984   5.607  -3.373
  573   2HD1  ILE  76          HD12      ILE  76  -2.100   6.923  -3.738
  574   3HD1  ILE  76          HD13      ILE  76  -0.448   6.969  -4.395
  575    H    GLY  77           H        GLY  77  -2.001   9.332   0.378
  576   1HA   GLY  77          HA1       GLY  77  -4.188  11.042  -0.594
  577   2HA   GLY  77          HA2       GLY  77  -4.080   9.493  -1.421
  578    H    GLU  78           H        GLU  78  -6.288   9.766  -0.036
  579    HA   GLU  78           HA       GLU  78  -5.897   7.798   2.054
  580   1HB   GLU  78          HB2       GLU  78  -7.748  10.175   2.498
  581   2HB   GLU  78          HB3       GLU  78  -7.230   8.970   3.699
  582   1HG   GLU  78          HG2       GLU  78  -4.786   9.897   3.196
  583   2HG   GLU  78          HG3       GLU  78  -5.635  11.353   2.666
  584    H    LEU  79           H        LEU  79  -7.709   6.631   2.502
  585    HA   LEU  79           HA       LEU  79  -9.328   5.980   0.248
  586   1HB   LEU  79          HB2       LEU  79  -8.386   4.412   1.946
  587   2HB   LEU  79          HB3       LEU  79  -9.412   5.159   3.167
  588    HG   LEU  79           HG       LEU  79  -9.978   2.968   1.373
  589   1HD1  LEU  79          HD11      LEU  79 -11.604   4.272   3.523
  590   2HD1  LEU  79          HD12      LEU  79 -11.767   2.601   2.906
  591   3HD1  LEU  79          HD13      LEU  79 -10.302   3.066   3.790
  592   1HD2  LEU  79          HD21      LEU  79 -12.061   3.362   0.527
  593   2HD2  LEU  79          HD22      LEU  79 -12.195   4.941   1.318
  594   3HD2  LEU  79          HD23      LEU  79 -11.102   4.688  -0.089
  595    H    HIS  80           H        HIS  80 -11.032   7.030  -0.392
  596    HA   HIS  80           HA       HIS  80 -12.009   9.030   1.077
  597   1HB   HIS  80          HB2       HIS  80 -12.147   8.781  -1.433
  598   2HB   HIS  80          HB3       HIS  80 -13.519   7.687  -1.218
  599    HD1  HIS  80           HD1      HIS  80 -15.875   9.070  -0.801
  600    HD2  HIS  80           HD2      HIS  80 -12.296  11.236  -0.451
  601    HE1  HIS  80           HE1      HIS  80 -16.547  11.479  -0.286
  602    HA   PRO  81           HA       PRO  81 -14.194   7.021   3.888
  603   1HB   PRO  81          HB2       PRO  81 -15.938   9.553   4.324
  604   2HB   PRO  81          HB3       PRO  81 -15.075   8.646   5.529
  605   1HG   PRO  81          HG2       PRO  81 -14.076  11.068   4.477
  606   2HG   PRO  81          HG3       PRO  81 -12.903   9.706   4.514
  607   1HD   PRO  81          HD2       PRO  81 -14.866  10.405   2.311
  608   2HD   PRO  81          HD3       PRO  81 -13.122  10.372   2.207
  609    H    ASP  82           H        ASP  82 -16.102   8.208   1.526
  610    HA   ASP  82           HA       ASP  82 -18.680   7.514   2.472
  611   1HB   ASP  82          HB2       ASP  82 -18.315   8.826   0.370
  612   2HB   ASP  82          HB3       ASP  82 -17.506   7.427  -0.376
  613    H    ASP  83           H        ASP  83 -15.930   5.800   1.206
  614    HA   ASP  83           HA       ASP  83 -16.678   3.139   1.011
  615   1HB   ASP  83          HB2       ASP  83 -14.450   4.360   0.715
  616   2HB   ASP  83          HB3       ASP  83 -14.133   4.272   2.369
  617    H    ARG  84           H        ARG  84 -15.315   4.661   3.844
  618    HA   ARG  84           HA       ARG  84 -14.720   2.396   4.679
  619   1HB   ARG  84          HB2       ARG  84 -14.164   4.896   5.604
  620   2HB   ARG  84          HB3       ARG  84 -14.690   4.084   7.075
  621   1HG   ARG  84          HG2       ARG  84 -12.624   2.955   5.124
  622   2HG   ARG  84          HG3       ARG  84 -12.184   3.967   6.459
  623   1HD   ARG  84          HD2       ARG  84 -11.821   1.718   7.219
  624   2HD   ARG  84          HD3       ARG  84 -13.299   2.260   8.015
  625    HE   ARG  84           HE       ARG  84 -14.608   0.852   6.708
  626   1HH1  ARG  84          HH22      ARG  84 -11.318   0.491   5.534
  627   2HH1  ARG  84          HH21      ARG  84 -11.757  -0.399   4.129
  628   1HH2  ARG  84          HH11      ARG  84 -15.261   0.192   4.872
  629   2HH2  ARG  84          HH12      ARG  84 -14.200   0.295   3.511
  630    HHA  HEM 201           HGM      HEM 201   9.127  -8.892   5.900
  631    HHB  HEM 201           HDM      HEM 201   9.178  -2.603   4.541
  632    HHC  HEM 201           HAM      HEM 201   2.931  -2.960   3.033
  633    HHD  HEM 201           HBM      HEM 201   3.316  -9.430   3.185
  634   1HMA  HEM 201          HM81      HEM 201  12.096  -4.463   6.095
  635   2HMA  HEM 201          HM82      HEM 201  11.454  -3.461   4.792
  636   3HMA  HEM 201          HM83      HEM 201  10.857  -3.259   6.457
  637   1HAA  HEM 201          HP71      HEM 201  10.989  -8.021   6.721
  638   2HAA  HEM 201          HP72      HEM 201  11.935  -6.471   6.860
  639   1HBA  HEM 201          HP73      HEM 201  11.080  -7.185   9.030
  640   2HBA  HEM 201          HP74      HEM 201   9.368  -7.137   8.366
  641   1HMB  HEM 201          HM11      HEM 201   6.927   0.379   3.928
  642   2HMB  HEM 201          HM12      HEM 201   8.200  -0.562   4.673
  643   3HMB  HEM 201          HM13      HEM 201   8.198  -0.374   2.926
  644    HAB  HEM 201          HT2A      HEM 201   3.877  -1.110   1.979
  645   1HBB  HEM 201          HV2C      HEM 201   4.761   0.885   3.972
  646   2HBB  HEM 201          HV2T      HEM 201   2.999   0.513   3.398
  647   1HMC  HEM 201          HM31      HEM 201   0.168  -4.869   3.732
  648   2HMC  HEM 201          HM32      HEM 201   0.922  -3.730   2.605
  649   3HMC  HEM 201          HM33      HEM 201   0.178  -5.218   1.989
  650    HAC  HEM 201          HT4A      HEM 201   0.208  -7.902   3.409
  651   1HBC  HEM 201          HV4C      HEM 201   1.794  -8.591   0.884
  652   2HBC  HEM 201          HV4T      HEM 201   0.242  -9.421   1.507
  653   1HMD  HEM 201          HM51      HEM 201   5.267 -11.888   2.967
  654   2HMD  HEM 201          HM52      HEM 201   5.237 -12.306   4.695
  655   3HMD  HEM 201          HM53      HEM 201   3.892 -11.423   3.983
  656   1HAD  HEM 201          HP61      HEM 201   7.548 -12.171   4.640
  657   2HAD  HEM 201          HP62      HEM 201   8.886 -10.954   4.850
  658   1HBD  HEM 201          HP63      HEM 201   8.174 -10.696   7.237
  659   2HBD  HEM 201          HP64      HEM 201   6.988 -12.071   6.960
  Start of MODEL   28
    1   1H    ALA   3          H1        ALA   3  -5.718  19.777   5.116
    2   2H    ALA   3          H2        ALA   3  -4.773  20.368   3.933
    3   3H    ALA   3          H3        ALA   3  -6.081  21.259   4.443
    4    HA   ALA   3           HA       ALA   3  -6.418  20.077   2.309
    5   1HB   ALA   3          HB1       ALA   3  -8.190  19.163   4.625
    6   2HB   ALA   3          HB2       ALA   3  -8.367  20.688   3.728
    7   3HB   ALA   3          HB3       ALA   3  -8.625  19.143   2.905
    8    H    VAL   4           H        VAL   4  -7.153  17.790   1.548
    9    HA   VAL   4           HA       VAL   4  -5.178  15.789   2.223
   10    HB   VAL   4           HB       VAL   4  -6.980  14.057   2.516
   11   1HG1  VAL   4          HG11      VAL   4  -5.684  14.920   4.449
   12   2HG1  VAL   4          HG12      VAL   4  -7.035  16.030   4.802
   13   3HG1  VAL   4          HG13      VAL   4  -7.285  14.273   4.841
   14   1HG2  VAL   4          HG21      VAL   4  -9.190  14.747   3.374
   15   2HG2  VAL   4          HG22      VAL   4  -8.846  16.422   2.941
   16   3HG2  VAL   4          HG23      VAL   4  -8.939  15.171   1.674
   17    H    LYS   5           H        LYS   5  -6.040  13.778   0.578
   18    HA   LYS   5           HA       LYS   5  -6.832  15.124  -2.028
   19   1HB   LYS   5          HB2       LYS   5  -5.623  12.410  -1.425
   20   2HB   LYS   5          HB3       LYS   5  -6.385  12.880  -2.951
   21   1HG   LYS   5          HG2       LYS   5  -4.748  14.837  -3.081
   22   2HG   LYS   5          HG3       LYS   5  -3.898  14.088  -1.704
   23   1HD   LYS   5          HD2       LYS   5  -3.846  11.947  -3.030
   24   2HD   LYS   5          HD3       LYS   5  -4.523  12.802  -4.420
   25   1HE   LYS   5          HE2       LYS   5  -2.565  14.143  -4.715
   26   2HE   LYS   5          HE3       LYS   5  -1.946  13.741  -3.099
   27   1HZ   LYS   5          HZ1       LYS   5  -1.604  11.550  -3.737
   28   2HZ   LYS   5          HZ2       LYS   5  -2.241  11.753  -5.250
   29   3HZ   LYS   5          HZ3       LYS   5  -0.816  12.500  -4.839
   30    H    TYR   6           H        TYR   6  -7.358  12.505   0.259
   31    HA   TYR   6           HA       TYR   6  -8.804  10.892   0.368
   32   1HB   TYR   6          HB2       TYR   6 -11.041  12.853  -0.163
   33   2HB   TYR   6          HB3       TYR   6 -10.857  11.189   0.575
   34    HD1  TYR   6           HD1      TYR   6 -12.464  13.381   1.915
   35    HD2  TYR   6           HD2      TYR   6  -8.387  12.172   2.303
   36    HE1  TYR   6           HE1      TYR   6 -12.814  12.841   4.303
   37    HE2  TYR   6           HE2      TYR   6  -9.068  10.712   4.154
   38    HH   TYR   6           HH       TYR   6 -10.584  10.588   5.975
   39    H    TYR   7           H        TYR   7  -7.990   9.884  -1.142
   40    HA   TYR   7           HA       TYR   7  -8.532  10.011  -3.916
   41   1HB   TYR   7          HB2       TYR   7  -6.604   9.088  -2.119
   42   2HB   TYR   7          HB3       TYR   7  -7.344   7.632  -2.457
   43    HD1  TYR   7           HD1      TYR   7  -4.475   8.230  -2.737
   44    HD2  TYR   7           HD2      TYR   7  -7.522   9.184  -5.635
   45    HE1  TYR   7           HE1      TYR   7  -2.830   9.486  -4.070
   46    HE2  TYR   7           HE2      TYR   7  -5.939  10.620  -6.823
   47    HH   TYR   7           HH       TYR   7  -3.691  11.073  -7.122
   48    H    THR   8           H        THR   8  -9.858   8.591  -5.035
   49    HA   THR   8           HA       THR   8 -12.124   7.578  -3.413
   50    HB   THR   8           HB       THR   8 -13.230   7.288  -5.632
   51    HG1  THR   8           HG1      THR   8 -11.094   8.755  -6.747
   52   1HG2  THR   8          HG21      THR   8 -13.488   9.703  -6.032
   53   2HG2  THR   8          HG22      THR   8 -13.486   9.334  -4.290
   54   3HG2  THR   8          HG23      THR   8 -12.037  10.034  -5.058
   55    H    LEU   9           H        LEU   9 -12.895   5.379  -3.476
   56    HA   LEU   9           HA       LEU   9 -11.043   3.301  -3.800
   57   1HB   LEU   9          HB2       LEU   9 -12.867   2.839  -2.629
   58   2HB   LEU   9          HB3       LEU   9 -14.053   3.368  -3.831
   59    HG   LEU   9           HG       LEU   9 -12.194   1.001  -4.352
   60   1HD1  LEU   9          HD11      LEU   9 -13.888  -0.501  -3.343
   61   2HD1  LEU   9          HD12      LEU   9 -13.145   0.568  -2.146
   62   3HD1  LEU   9          HD13      LEU   9 -14.778   0.918  -2.747
   63   1HD2  LEU   9          HD21      LEU   9 -13.652   1.706  -6.262
   64   2HD2  LEU   9          HD22      LEU   9 -14.164   0.148  -5.631
   65   3HD2  LEU   9          HD23      LEU   9 -15.074   1.609  -5.206
   66    H    GLU  10           H        GLU  10 -13.280   4.699  -6.194
   67    HA   GLU  10           HA       GLU  10 -12.885   3.285  -8.468
   68   1HB   GLU  10          HB2       GLU  10 -14.175   5.416  -8.200
   69   2HB   GLU  10          HB3       GLU  10 -12.675   6.329  -8.236
   70   1HG   GLU  10          HG2       GLU  10 -13.764   6.420 -10.402
   71   2HG   GLU  10          HG3       GLU  10 -12.226   5.566 -10.544
   72    H    GLU  11           H        GLU  11 -10.632   5.809  -7.282
   73    HA   GLU  11           HA       GLU  11  -8.572   5.178  -9.269
   74   1HB   GLU  11          HB2       GLU  11  -8.484   6.621  -6.527
   75   2HB   GLU  11          HB3       GLU  11  -7.129   6.516  -7.601
   76   1HG   GLU  11          HG2       GLU  11  -9.665   7.702  -8.735
   77   2HG   GLU  11          HG3       GLU  11  -8.808   8.628  -7.496
   78    H    ILE  12           H        ILE  12  -9.031   4.477  -5.802
   79    HA   ILE  12           HA       ILE  12  -6.488   3.499  -5.568
   80    HB   ILE  12           HB       ILE  12  -8.893   2.847  -3.826
   81   1HG1  ILE  12          HG12      ILE  12  -6.620   4.735  -3.102
   82   2HG1  ILE  12          HG13      ILE  12  -7.929   5.336  -4.105
   83   1HG2  ILE  12          HG21      ILE  12  -5.935   2.437  -3.283
   84   2HG2  ILE  12          HG22      ILE  12  -7.199   2.349  -2.045
   85   3HG2  ILE  12          HG23      ILE  12  -7.200   1.180  -3.362
   86   1HD1  ILE  12          HD11      ILE  12  -8.397   5.817  -1.771
   87   2HD1  ILE  12          HD12      ILE  12  -9.587   4.657  -2.370
   88   3HD1  ILE  12          HD13      ILE  12  -8.257   4.120  -1.324
   89    H    GLN  13           H        GLU  13  -9.408   1.636  -6.452
   90    HA   GLN  13           HA       GLU  13  -8.222  -0.974  -6.178
   91   1HB   GLN  13          HB2       GLU  13  -9.642  -0.749  -8.786
   92   2HB   GLN  13          HB3       GLU  13  -9.981  -1.773  -7.478
   93   1HG   GLN  13          HG2       GLU  13 -11.436   0.096  -6.541
   94   2HG   GLN  13          HG3       GLU  13 -10.846   1.124  -7.883
   95    H    LYS  14           H        LYS  14  -8.131   1.496  -8.574
   96    HA   LYS  14           HA       LYS  14  -7.688  -0.194 -10.688
   97   1HB   LYS  14          HB2       LYS  14  -8.752   2.191 -10.347
   98   2HB   LYS  14          HB3       LYS  14  -7.152   2.832 -10.576
   99   1HG   LYS  14          HG2       LYS  14  -8.345   3.146 -12.525
  100   2HG   LYS  14          HG3       LYS  14  -7.209   1.825 -12.881
  101   1HD   LYS  14          HD2       LYS  14  -9.146   1.021 -13.850
  102   2HD   LYS  14          HD3       LYS  14  -9.259   0.228 -12.287
  103   1HE   LYS  14          HE2       LYS  14 -10.678   2.858 -13.002
  104   2HE   LYS  14          HE3       LYS  14 -11.388   1.265 -13.261
  105   1HZ   LYS  14          HZ1       LYS  14 -11.385   0.891 -10.870
  106   2HZ   LYS  14          HZ2       LYS  14 -10.701   2.369 -10.611
  107   3HZ   LYS  14          HZ3       LYS  14 -12.158   2.270 -11.277
  108    H    HIS  15           H        HIS  15  -5.659   1.881  -8.748
  109    HA   HIS  15           HA       HIS  15  -3.081   1.425 -10.016
  110   1HB   HIS  15          HB2       HIS  15  -4.035   2.559  -7.365
  111   2HB   HIS  15          HB3       HIS  15  -2.339   2.338  -7.816
  112    HD1  HIS  15           HD1      HIS  15  -1.315   4.463  -8.771
  113    HD2  HIS  15           HD2      HIS  15  -5.397   4.045  -9.672
  114    HE1  HIS  15           HE1      HIS  15  -1.956   6.455 -10.233
  115    H    ASN  16           H        ASN  16  -3.645  -0.903 -10.141
  116    HA   ASN  16           HA       ASN  16  -2.336  -2.429  -7.907
  117   1HB   ASN  16          HB2       ASN  16  -4.765  -2.524  -7.602
  118   2HB   ASN  16          HB3       ASN  16  -4.983  -3.100  -9.260
  119   1HD2  ASN  16          HD21      ASN  16  -3.353  -3.874  -6.202
  120   2HD2  ASN  16          HD22      ASN  16  -3.625  -5.606  -6.251
  121    H    ASN  17           H        ASN  17  -1.199  -1.559 -10.460
  122    HA   ASN  17           HA       ASN  17  -0.293  -4.128 -11.334
  123   1HB   ASN  17          HB2       ASN  17  -2.537  -4.087 -12.517
  124   2HB   ASN  17          HB3       ASN  17  -1.959  -2.687 -13.425
  125   1HD2  ASN  17          HD21      ASN  17  -2.447  -4.197 -15.291
  126   2HD2  ASN  17          HD22      ASN  17  -1.201  -5.341 -15.756
  127    H    SER  18           H        SER  18   0.982  -1.733 -10.451
  128    HA   SER  18           HA       SER  18   3.189  -1.273 -10.744
  129   1HB   SER  18          HB2       SER  18   3.384  -3.344 -12.186
  130   2HB   SER  18          HB3       SER  18   3.143  -2.309 -13.608
  131    HG   SER  18           HG       SER  18   5.196  -2.024 -11.663
  132    H    LYS  19           H        LYS  19   1.084  -0.543 -13.480
  133    HA   LYS  19           HA       LYS  19   1.369   2.150 -14.049
  134   1HB   LYS  19          HB2       LYS  19  -0.983   0.545 -12.899
  135   2HB   LYS  19          HB3       LYS  19  -1.142   2.158 -13.545
  136   1HG   LYS  19          HG2       LYS  19  -0.339  -0.390 -15.040
  137   2HG   LYS  19          HG3       LYS  19  -1.849   0.514 -15.181
  138   1HD   LYS  19          HD2       LYS  19  -0.507   2.486 -16.045
  139   2HD   LYS  19          HD3       LYS  19   0.923   1.424 -16.073
  140   1HE   LYS  19          HE2       LYS  19  -0.269  -0.147 -17.596
  141   2HE   LYS  19          HE3       LYS  19  -1.666   0.945 -17.619
  142   1HZ   LYS  19          HZ1       LYS  19  -0.262   1.265 -19.521
  143   2HZ   LYS  19          HZ2       LYS  19  -0.251   2.626 -18.599
  144   3HZ   LYS  19          HZ3       LYS  19   1.041   1.606 -18.582
  145    H    SER  20           H        SER  20  -0.047   0.861 -10.997
  146    HA   SER  20           HA       SER  20   2.129   1.768  -9.723
  147   1HB   SER  20          HB2       SER  20  -0.232   2.798  -8.179
  148   2HB   SER  20          HB3       SER  20   1.442   3.313  -8.108
  149    HG   SER  20           HG       SER  20   1.000   4.157 -10.330
  150    H    THR  21           H        THR  21   1.753   0.949  -7.376
  151    HA   THR  21           HA       THR  21  -0.496  -0.989  -7.068
  152    HB   THR  21           HB       THR  21   2.362  -1.513  -6.226
  153    HG1  THR  21           HG1      THR  21   1.850  -3.400  -7.661
  154   1HG2  THR  21          HG21      THR  21   1.483  -3.649  -5.325
  155   2HG2  THR  21          HG22      THR  21   0.727  -2.302  -4.476
  156   3HG2  THR  21          HG23      THR  21  -0.150  -3.166  -5.775
  157    H    TRP  22           H        TRP  22  -1.792   0.026  -5.729
  158    HA   TRP  22           HA       TRP  22  -0.816   1.774  -3.511
  159   1HB   TRP  22          HB2       TRP  22  -3.271   1.607  -5.261
  160   2HB   TRP  22          HB3       TRP  22  -3.357   2.421  -3.742
  161    HD1  TRP  22           HD1      TRP  22  -0.067   3.016  -5.363
  162    HE1  TRP  22           HE1      TRP  22   0.070   5.229  -6.491
  163    HE3  TRP  22           HE3      TRP  22  -4.864   4.416  -4.637
  164    HZ2  TRP  22           HZ2      TRP  22  -1.898   7.347  -7.322
  165    HZ3  TRP  22           HZ3      TRP  22  -5.801   6.424  -5.755
  166    HH2  TRP  22           HH2      TRP  22  -4.372   7.800  -7.236
  167    H    LEU  23           H        LEU  23  -1.831   1.552  -1.410
  168    HA   LEU  23           HA       LEU  23  -3.835  -0.566  -1.074
  169   1HB   LEU  23          HB2       LEU  23  -2.207  -0.943   1.187
  170   2HB   LEU  23          HB3       LEU  23  -2.546  -2.104  -0.035
  171    HG   LEU  23           HG       LEU  23  -0.349  -0.265  -0.664
  172   1HD1  LEU  23          HD11      LEU  23  -0.173  -2.341   1.548
  173   2HD1  LEU  23          HD12      LEU  23   1.237  -1.606   0.775
  174   3HD1  LEU  23          HD13      LEU  23   0.121  -0.589   1.710
  175   1HD2  LEU  23          HD21      LEU  23  -0.836  -2.184  -2.115
  176   2HD2  LEU  23          HD22      LEU  23   0.766  -2.354  -1.398
  177   3HD2  LEU  23          HD23      LEU  23  -0.585  -3.302  -0.740
  178    H    ILE  24           H        ILE  24  -4.875  -0.409   1.043
  179    HA   ILE  24           HA       ILE  24  -4.548   2.276   2.269
  180    HB   ILE  24           HB       ILE  24  -6.996   0.596   2.782
  181   1HG1  ILE  24          HG12      ILE  24  -6.847   2.350   0.316
  182   2HG1  ILE  24          HG13      ILE  24  -6.810   0.577   0.292
  183   1HG2  ILE  24          HG21      ILE  24  -8.043   2.664   3.231
  184   2HG2  ILE  24          HG22      ILE  24  -6.463   2.682   4.007
  185   3HG2  ILE  24          HG23      ILE  24  -6.708   3.582   2.492
  186   1HD1  ILE  24          HD11      ILE  24  -9.046   1.349  -0.189
  187   2HD1  ILE  24          HD12      ILE  24  -8.991   0.412   1.314
  188   3HD1  ILE  24          HD13      ILE  24  -9.127   2.177   1.374
  189    H    LEU  25           H        LEU  25  -3.827   2.426   4.236
  190    HA   LEU  25           HA       LEU  25  -3.809   0.034   6.035
  191   1HB   LEU  25          HB2       LEU  25  -1.530   1.677   5.051
  192   2HB   LEU  25          HB3       LEU  25  -1.521   1.192   6.744
  193    HG   LEU  25           HG       LEU  25  -1.532  -1.126   6.159
  194   1HD1  LEU  25          HD11      LEU  25  -2.707  -1.502   4.213
  195   2HD1  LEU  25          HD12      LEU  25  -1.850  -0.212   3.308
  196   3HD1  LEU  25          HD13      LEU  25  -1.055  -1.756   3.701
  197   1HD2  LEU  25          HD21      LEU  25   0.689  -1.243   5.105
  198   2HD2  LEU  25          HD22      LEU  25   0.488   0.398   4.451
  199   3HD2  LEU  25          HD23      LEU  25   0.632   0.157   6.204
  200    H    HIS  26           H        HIS  26  -5.233   0.783   7.563
  201    HA   HIS  26           HA       HIS  26  -6.200   2.141   9.120
  202   1HB   HIS  26          HB2       HIS  26  -3.793   3.978   9.125
  203   2HB   HIS  26          HB3       HIS  26  -4.864   3.554  10.450
  204    HD1  HIS  26           HD1      HIS  26  -4.345   0.995  11.530
  205    HD2  HIS  26           HD2      HIS  26  -1.572   2.675   8.848
  206    HE1  HIS  26           HE1      HIS  26  -2.160  -0.283  11.840
  207    H    TYR  27           H        TYR  27  -6.952   2.528   6.528
  208    HA   TYR  27           HA       TYR  27  -8.200   3.842   5.246
  209   1HB   TYR  27          HB2       TYR  27  -8.191   5.894   7.459
  210   2HB   TYR  27          HB3       TYR  27  -9.291   5.800   6.094
  211    HD1  TYR  27           HD1      TYR  27  -8.628   4.607   9.450
  212    HD2  TYR  27           HD2      TYR  27 -10.796   3.694   5.827
  213    HE1  TYR  27           HE1      TYR  27 -10.082   3.045  10.697
  214    HE2  TYR  27           HE2      TYR  27 -12.237   2.152   7.072
  215    HH   TYR  27           HH       TYR  27 -11.826   1.533  10.573
  216    H    LYS  28           H        LYS  28  -5.237   5.373   6.386
  217    HA   LYS  28           HA       LYS  28  -5.034   7.263   4.179
  218   1HB   LYS  28          HB2       LYS  28  -3.187   6.077   6.233
  219   2HB   LYS  28          HB3       LYS  28  -2.446   6.755   4.782
  220   1HG   LYS  28          HG2       LYS  28  -4.492   8.371   6.304
  221   2HG   LYS  28          HG3       LYS  28  -2.805   8.245   6.856
  222   1HD   LYS  28          HD2       LYS  28  -1.926   9.109   4.785
  223   2HD   LYS  28          HD3       LYS  28  -3.483   9.014   3.999
  224   1HE   LYS  28          HE2       LYS  28  -3.037  11.322   4.489
  225   2HE   LYS  28          HE3       LYS  28  -4.378  10.799   5.515
  226   1HZ   LYS  28          HZ1       LYS  28  -2.830  10.578   7.323
  227   2HZ   LYS  28          HZ2       LYS  28  -1.576  11.061   6.362
  228   3HZ   LYS  28          HZ3       LYS  28  -2.804  12.102   6.703
  229    H    VAL  29           H        VAL  29  -3.584   7.008   2.334
  230    HA   VAL  29           HA       VAL  29  -3.585   4.234   1.244
  231    HB   VAL  29           HB       VAL  29  -4.116   6.866  -0.158
  232   1HG1  VAL  29          HG11      VAL  29  -4.338   5.603  -2.214
  233   2HG1  VAL  29          HG12      VAL  29  -2.679   5.472  -1.631
  234   3HG1  VAL  29          HG13      VAL  29  -3.784   4.112  -1.418
  235   1HG2  VAL  29          HG21      VAL  29  -6.217   5.840  -0.734
  236   2HG2  VAL  29          HG22      VAL  29  -5.694   4.275  -0.078
  237   3HG2  VAL  29          HG23      VAL  29  -6.027   5.629   1.024
  238    H    TYR  30           H        TYR  30  -1.762   3.415   0.407
  239    HA   TYR  30           HA       TYR  30   0.756   4.915   0.713
  240   1HB   TYR  30          HB2       TYR  30  -0.305   2.102   1.251
  241   2HB   TYR  30          HB3       TYR  30   1.385   2.423   1.299
  242    HD1  TYR  30           HD1      TYR  30  -1.915   3.130   2.841
  243    HD2  TYR  30           HD2      TYR  30   2.324   3.748   3.224
  244    HE1  TYR  30           HE1      TYR  30  -2.263   4.312   4.981
  245    HE2  TYR  30           HE2      TYR  30   1.935   4.876   5.421
  246    HH   TYR  30           HH       TYR  30   0.427   5.437   7.010
  247    H    ASP  31           H        ASP  31   1.879   5.049  -1.273
  248    HA   ASP  31           HA       ASP  31   1.205   3.109  -3.459
  249   1HB   ASP  31          HB2       ASP  31   1.445   5.650  -3.935
  250   2HB   ASP  31          HB3       ASP  31   3.186   5.376  -3.628
  251    H    LEU  32           H        LEU  32   2.707   1.544  -3.995
  252    HA   LEU  32           HA       LEU  32   5.349   1.685  -2.607
  253   1HB   LEU  32          HB2       LEU  32   3.510  -0.761  -2.838
  254   2HB   LEU  32          HB3       LEU  32   5.148  -0.714  -2.195
  255    HG   LEU  32           HG       LEU  32   4.122   1.220  -0.646
  256   1HD1  LEU  32          HD11      LEU  32   1.857   1.247  -1.536
  257   2HD1  LEU  32          HD12      LEU  32   1.760  -0.485  -1.298
  258   3HD1  LEU  32          HD13      LEU  32   1.869   0.615   0.110
  259   1HD2  LEU  32          HD21      LEU  32   3.644  -0.299   1.084
  260   2HD2  LEU  32          HD22      LEU  32   3.510  -1.672  -0.031
  261   3HD2  LEU  32          HD23      LEU  32   5.096  -0.881   0.213
  262    H    THR  33           H        THR  33   4.185   1.934  -5.479
  263    HA   THR  33           HA       THR  33   4.940  -0.205  -7.106
  264    HB   THR  33           HB       THR  33   5.214   2.758  -7.779
  265    HG1  THR  33           HG1      THR  33   3.252   2.539  -6.962
  266   1HG2  THR  33          HG21      THR  33   6.051   1.210  -9.560
  267   2HG2  THR  33          HG22      THR  33   4.498   0.347  -9.508
  268   3HG2  THR  33          HG23      THR  33   4.566   2.047 -10.028
  269    H    LYS  34           H        LYS  34   7.146   2.481  -6.124
  270    HA   LYS  34           HA       LYS  34   9.412   1.308  -7.515
  271   1HB   LYS  34          HB2       LYS  34   9.255   3.688  -7.079
  272   2HB   LYS  34          HB3       LYS  34   9.218   3.438  -5.330
  273   1HG   LYS  34          HG2       LYS  34  11.550   2.317  -6.878
  274   2HG   LYS  34          HG3       LYS  34  11.462   4.070  -6.694
  275   1HD   LYS  34          HD2       LYS  34  11.540   3.993  -4.325
  276   2HD   LYS  34          HD3       LYS  34  11.195   2.258  -4.265
  277   1HE   LYS  34          HE2       LYS  34  13.330   1.740  -5.361
  278   2HE   LYS  34          HE3       LYS  34  13.766   3.461  -5.394
  279   1HZ   LYS  34          HZ1       LYS  34  13.874   3.410  -2.989
  280   2HZ   LYS  34          HZ2       LYS  34  13.163   1.902  -2.954
  281   3HZ   LYS  34          HZ3       LYS  34  14.618   2.004  -3.516
  282    H    PHE  35           H        PHE  35   7.888   0.637  -4.465
  283    HA   PHE  35           HA       PHE  35  10.346  -0.425  -3.234
  284   1HB   PHE  35          HB2       PHE  35   8.545   0.895  -1.922
  285   2HB   PHE  35          HB3       PHE  35   7.455  -0.431  -2.265
  286    HD1  PHE  35           HD1      PHE  35   7.075  -1.880  -0.517
  287    HD2  PHE  35           HD2      PHE  35  10.994  -0.116  -0.945
  288    HE1  PHE  35           HE1      PHE  35   7.782  -2.958   1.552
  289    HE2  PHE  35           HE2      PHE  35  11.746  -1.320   1.078
  290    HZ   PHE  35           HZ       PHE  35  10.160  -2.771   2.329
  291    H    LEU  36           H        LEU  36   7.455  -1.526  -4.903
  292    HA   LEU  36           HA       LEU  36   7.155  -4.168  -4.408
  293   1HB   LEU  36          HB2       LEU  36   7.609  -2.887  -7.154
  294   2HB   LEU  36          HB3       LEU  36   6.857  -4.446  -6.911
  295    HG   LEU  36           HG       LEU  36   5.732  -1.819  -6.072
  296   1HD1  LEU  36          HD11      LEU  36   4.847  -3.997  -8.004
  297   2HD1  LEU  36          HD12      LEU  36   3.912  -2.547  -7.624
  298   3HD1  LEU  36          HD13      LEU  36   5.476  -2.399  -8.446
  299   1HD2  LEU  36          HD21      LEU  36   5.135  -3.165  -4.270
  300   2HD2  LEU  36          HD22      LEU  36   3.738  -3.229  -5.348
  301   3HD2  LEU  36          HD23      LEU  36   4.870  -4.591  -5.304
  302    H    GLU  37           H        GLU  37   9.828  -2.922  -6.372
  303    HA   GLU  37           HA       GLU  37  11.273  -5.252  -6.900
  304   1HB   GLU  37          HB2       GLU  37  12.099  -2.353  -6.349
  305   2HB   GLU  37          HB3       GLU  37  13.195  -3.564  -6.996
  306   1HG   GLU  37          HG2       GLU  37  10.584  -2.667  -8.336
  307   2HG   GLU  37          HG3       GLU  37  12.209  -2.127  -8.765
  308    H    GLU  38           H        GLU  38  11.495  -3.074  -4.086
  309    HA   GLU  38           HA       GLU  38  13.868  -4.434  -3.035
  310   1HB   GLU  38          HB2       GLU  38  12.207  -2.086  -2.046
  311   2HB   GLU  38          HB3       GLU  38  13.750  -2.601  -1.349
  312   1HG   GLU  38          HG2       GLU  38  14.931  -2.121  -3.430
  313   2HG   GLU  38          HG3       GLU  38  13.420  -1.743  -4.268
  314    H    HIS  39           HN       HIS  39  10.438  -4.213  -2.295
  315    HA   HIS  39           HA       HIS  39  10.197  -4.731   0.327
  316   1HB   HIS  39          HB2       HIS  39   8.356  -4.315  -1.225
  317   2HB   HIS  39          HB3       HIS  39   8.528  -5.927  -1.905
  318    HD1  HIS  39           HD1      HIS  39   6.108  -6.745  -1.188
  319    HD2  HIS  39           HD2      HIS  39   8.463  -5.153   1.921
  320    HE1  HIS  39           HE1      HIS  39   4.743  -6.953   0.941
  321    HA   PRO  40           HA       PRO  40  11.905  -8.990   0.755
  322   1HB   PRO  40          HB2       PRO  40  11.263  -8.302   3.634
  323   2HB   PRO  40          HB3       PRO  40  12.706  -9.101   2.966
  324   1HG   PRO  40          HG2       PRO  40  12.787  -6.497   3.721
  325   2HG   PRO  40          HG3       PRO  40  13.536  -6.980   2.166
  326   1HD   PRO  40          HD2       PRO  40  10.761  -5.819   2.597
  327   2HD   PRO  40          HD3       PRO  40  12.046  -5.276   1.479
  328    H    GLY  41           H        GLY  41   9.790  -9.312  -0.426
  329   1HA   GLY  41          HA1       GLY  41   7.577 -10.695   0.831
  330   2HA   GLY  41          HA2       GLY  41   7.323  -8.951   0.820
  331    H    GLY  42           H        GLY  42   8.708  -8.255  -1.589
  332   1HA   GLY  42          HA1       GLY  42   8.543  -8.271  -3.888
  333   2HA   GLY  42          HA2       GLY  42   7.791  -9.872  -3.799
  334    H    GLU  43           H        GLU  43   6.664  -8.770  -5.616
  335    HA   GLU  43           HA       GLU  43   4.618  -6.814  -4.906
  336   1HB   GLU  43          HB2       GLU  43   5.728  -6.331  -6.876
  337   2HB   GLU  43          HB3       GLU  43   5.659  -7.957  -7.496
  338   1HG   GLU  43          HG2       GLU  43   4.190  -6.573  -8.777
  339   2HG   GLU  43          HG3       GLU  43   3.225  -7.759  -7.905
  340    H    GLU  44           H        GLU  44   4.438 -10.031  -6.595
  341    HA   GLU  44           HA       GLU  44   1.841 -10.250  -6.898
  342   1HB   GLU  44          HB2       GLU  44   3.500 -12.562  -5.808
  343   2HB   GLU  44          HB3       GLU  44   1.981 -12.678  -6.707
  344   1HG   GLU  44          HG2       GLU  44   3.100 -11.449  -8.623
  345   2HG   GLU  44          HG3       GLU  44   4.643 -11.608  -7.758
  346    H    VAL  45           H        VAL  45   3.092 -11.513  -3.766
  347    HA   VAL  45           HA       VAL  45   0.547 -11.898  -2.561
  348    HB   VAL  45           HB       VAL  45   2.674 -12.930  -1.844
  349   1HG1  VAL  45          HG11      VAL  45   4.284 -11.764  -0.467
  350   2HG1  VAL  45          HG12      VAL  45   4.127 -10.884  -1.995
  351   3HG1  VAL  45          HG13      VAL  45   3.352 -10.262  -0.525
  352   1HG2  VAL  45          HG21      VAL  45   2.259 -12.891   0.551
  353   2HG2  VAL  45          HG22      VAL  45   1.322 -11.395   0.414
  354   3HG2  VAL  45          HG23      VAL  45   0.716 -12.894  -0.325
  355    H    LEU  46           H        LEU  46   2.502  -8.969  -2.849
  356    HA   LEU  46           HA       LEU  46   0.959  -7.434  -0.936
  357   1HB   LEU  46          HB2       LEU  46   3.329  -6.932  -1.488
  358   2HB   LEU  46          HB3       LEU  46   2.854  -6.523  -3.137
  359    HG   LEU  46           HG       LEU  46   1.501  -4.655  -2.374
  360   1HD1  LEU  46          HD11      LEU  46   2.470  -5.562   0.363
  361   2HD1  LEU  46          HD12      LEU  46   1.828  -3.937   0.064
  362   3HD1  LEU  46          HD13      LEU  46   0.783  -5.351  -0.174
  363   1HD2  LEU  46          HD21      LEU  46   4.289  -4.599  -1.133
  364   2HD2  LEU  46          HD22      LEU  46   3.969  -4.494  -2.872
  365   3HD2  LEU  46          HD23      LEU  46   3.362  -3.229  -1.790
  366    H    ARG  47           H        ARG  47   1.050  -7.971  -4.456
  367    HA   ARG  47           HA       ARG  47  -0.645  -5.933  -5.275
  368   1HB   ARG  47          HB2       ARG  47   0.787  -7.222  -6.763
  369   2HB   ARG  47          HB3       ARG  47  -0.292  -8.616  -6.639
  370   1HG   ARG  47          HG2       ARG  47  -2.162  -7.358  -7.574
  371   2HG   ARG  47          HG3       ARG  47  -1.240  -5.846  -7.531
  372   1HD   ARG  47          HD2       ARG  47  -0.463  -8.280  -9.175
  373   2HD   ARG  47          HD3       ARG  47  -1.430  -6.892  -9.758
  374    HE   ARG  47           HE       ARG  47   1.029  -5.955  -8.560
  375   1HH1  ARG  47          HH22      ARG  47  -0.195  -7.476 -11.477
  376   2HH1  ARG  47          HH21      ARG  47   0.680  -6.407 -12.536
  377   1HH2  ARG  47          HH11      ARG  47   2.534  -5.082  -9.761
  378   2HH2  ARG  47          HH12      ARG  47   2.713  -5.383 -11.500
  379    H    GLU  48           H        GLU  48  -1.194  -9.317  -4.466
  380    HA   GLU  48           HA       GLU  48  -3.889  -9.814  -4.789
  381   1HB   GLU  48          HB2       GLU  48  -2.077 -11.377  -4.146
  382   2HB   GLU  48          HB3       GLU  48  -1.948 -10.545  -2.592
  383   1HG   GLU  48          HG2       GLU  48  -3.101 -12.694  -2.349
  384   2HG   GLU  48          HG3       GLU  48  -4.248 -11.402  -2.002
  385    H    GLN  49           H        GLN  49  -2.398  -7.759  -2.314
  386    HA   GLN  49           HA       GLN  49  -5.050  -7.385  -0.934
  387   1HB   GLN  49          HB2       GLN  49  -2.229  -6.710  -0.038
  388   2HB   GLN  49          HB3       GLN  49  -3.713  -6.575   0.905
  389   1HG   GLN  49          HG2       GLN  49  -2.536  -9.213  -0.146
  390   2HG   GLN  49          HG3       GLN  49  -2.336  -8.552   1.469
  391   1HE2  GLN  49          HE21      GLN  49  -5.073  -9.498  -0.783
  392   2HE2  GLN  49          HE22      GLN  49  -6.019 -10.132   0.544
  393    H    ALA  50           H        ALA  50  -2.502  -5.824  -2.682
  394    HA   ALA  50           HA       ALA  50  -3.118  -3.108  -2.305
  395   1HB   ALA  50          HB1       ALA  50  -2.116  -4.531  -4.779
  396   2HB   ALA  50          HB2       ALA  50  -1.968  -2.808  -4.499
  397   3HB   ALA  50          HB3       ALA  50  -1.093  -3.967  -3.461
  398    H    GLY  51           H        GLY  51  -3.912  -1.681  -4.102
  399   1HA   GLY  51          HA1       GLY  51  -5.928  -0.664  -4.414
  400   2HA   GLY  51          HA2       GLY  51  -6.184  -1.887  -5.660
  401    H    GLY  52           H        GLY  52  -5.735  -1.786  -2.041
  402   1HA   GLY  52          HA1       GLY  52  -8.437  -1.727  -1.366
  403   2HA   GLY  52          HA2       GLY  52  -7.903  -3.436  -1.435
  404    H    ASP  53           H        ASP  53  -8.591  -2.578   0.794
  405    HA   ASP  53           HA       ASP  53  -6.530  -1.429   2.442
  406   1HB   ASP  53          HB2       ASP  53  -9.004  -1.261   2.988
  407   2HB   ASP  53          HB3       ASP  53  -8.921  -2.952   3.520
  408    H    ALA  54           H        ALA  54  -4.952  -2.316   3.543
  409    HA   ALA  54           HA       ALA  54  -4.823  -5.287   3.953
  410   1HB   ALA  54          HB1       ALA  54  -2.487  -3.601   2.990
  411   2HB   ALA  54          HB2       ALA  54  -2.579  -5.368   3.187
  412   3HB   ALA  54          HB3       ALA  54  -3.510  -4.560   1.909
  413    H    THR  55           H        THR  55  -5.577  -2.958   5.700
  414    HA   THR  55           HA       THR  55  -3.391  -2.161   7.287
  415    HB   THR  55           HB       THR  55  -6.275  -2.470   8.256
  416    HG1  THR  55           HG1      THR  55  -6.375  -1.263   6.424
  417   1HG2  THR  55          HG21      THR  55  -3.974  -0.596   8.975
  418   2HG2  THR  55          HG22      THR  55  -5.629  -0.484   9.628
  419   3HG2  THR  55          HG23      THR  55  -4.615  -1.885  10.021
  420    H    GLU  56           H        GLU  56  -5.766  -4.823   7.851
  421    HA   GLU  56           HA       GLU  56  -4.716  -5.748  10.282
  422   1HB   GLU  56          HB2       GLU  56  -6.170  -7.290   8.063
  423   2HB   GLU  56          HB3       GLU  56  -5.972  -7.800   9.744
  424   1HG   GLU  56          HG2       GLU  56  -7.244  -5.774  10.482
  425   2HG   GLU  56          HG3       GLU  56  -7.534  -5.348   8.785
  426    H    ASN  57           H        ASN  57  -4.234  -6.967   6.942
  427    HA   ASN  57           HA       ASN  57  -2.328  -8.902   7.434
  428   1HB   ASN  57          HB2       ASN  57  -3.530  -8.300   5.294
  429   2HB   ASN  57          HB3       ASN  57  -2.325  -7.048   5.005
  430   1HD2  ASN  57          HD21      ASN  57  -3.018  -9.613   3.503
  431   2HD2  ASN  57          HD22      ASN  57  -1.501 -10.498   3.457
  432    H    PHE  58           H        PHE  58  -1.678  -5.444   6.728
  433    HA   PHE  58           HA       PHE  58   1.118  -5.485   6.901
  434   1HB   PHE  58          HB2       PHE  58  -0.169  -3.596   6.052
  435   2HB   PHE  58          HB3       PHE  58  -0.866  -3.310   7.637
  436    HD1  PHE  58           HD1      PHE  58   2.532  -3.584   6.010
  437    HD2  PHE  58           HD2      PHE  58   0.036  -1.530   8.862
  438    HE1  PHE  58           HE1      PHE  58   4.349  -1.953   6.425
  439    HE2  PHE  58           HE2      PHE  58   1.782   0.191   9.135
  440    HZ   PHE  58           HZ       PHE  58   4.036  -0.120   8.094
  441    H    GLU  59           H        GLU  59  -1.271  -4.866   9.563
  442    HA   GLU  59           HA       GLU  59   0.826  -4.441  11.466
  443   1HB   GLU  59          HB2       GLU  59  -1.651  -3.668  11.568
  444   2HB   GLU  59          HB3       GLU  59  -2.021  -5.278  12.179
  445   1HG   GLU  59          HG2       GLU  59  -1.691  -3.807  14.076
  446   2HG   GLU  59          HG3       GLU  59  -0.295  -4.894  14.021
  447    H    ASP  60           H        ASP  60  -1.409  -7.061  10.975
  448    HA   ASP  60           HA       ASP  60  -0.799  -9.073  12.665
  449   1HB   ASP  60          HB2       ASP  60  -2.545  -9.086  10.834
  450   2HB   ASP  60          HB3       ASP  60  -1.258  -9.391   9.668
  451    H    HIS  61           H        HIS  61   0.885  -8.634   9.511
  452    HA   HIS  61           HA       HIS  61   2.908 -10.554   9.797
  453   1HB   HIS  61          HB2       HIS  61   2.709  -9.481   7.712
  454   2HB   HIS  61          HB3       HIS  61   2.757  -7.875   8.432
  455    HD1  HIS  61           HD1      HIS  61   5.197  -6.942   9.200
  456    HD2  HIS  61           HD2      HIS  61   5.134 -10.620   7.163
  457    HE1  HIS  61           HE1      HIS  61   7.596  -7.465   8.607
  458    H    GLY  62           H        GLY  62   2.735  -7.356  11.335
  459   1HA   GLY  62          HA1       GLY  62   3.915  -6.587  13.161
  460   2HA   GLY  62          HA2       GLY  62   5.050  -7.940  13.047
  461    H    HIS  63           HN       HIS  63   3.999  -5.367  10.738
  462    HA   HIS  63           HA       HIS  63   6.605  -5.163   9.595
  463   1HB   HIS  63          HB2       HIS  63   4.048  -3.600   9.333
  464   2HB   HIS  63          HB3       HIS  63   5.539  -2.967   8.646
  465    HD1  HIS  63           HD1      HIS  63   3.068  -5.793   8.068
  466    HD2  HIS  63           HD2      HIS  63   6.644  -4.196   6.583
  467    HE1  HIS  63           HE1      HIS  63   3.400  -6.831   5.771
  468    H    SER  64           H        SER  64   8.319  -4.092  10.085
  469    HA   SER  64           HA       SER  64   8.651  -3.092  12.709
  470   1HB   SER  64          HB2       SER  64  10.328  -4.406  11.342
  471   2HB   SER  64          HB3       SER  64  10.564  -2.964  10.342
  472    HG   SER  64           HG       SER  64  12.030  -2.512  11.736
  473    H    THR  65           H        THR  65  10.341  -1.223  12.856
  474    HA   THR  65           HA       THR  65   9.004   1.308  12.500
  475    HB   THR  65           HB       THR  65  10.396   1.182  14.276
  476    HG1  THR  65           HG1      THR  65  10.413   3.149  13.109
  477   1HG2  THR  65          HG21      THR  65  12.863   0.907  14.213
  478   2HG2  THR  65          HG22      THR  65  12.075  -0.558  13.620
  479   3HG2  THR  65          HG23      THR  65  12.800   0.591  12.475
  480    H    ASP  66           H        ASP  66  11.674  -0.376  10.780
  481    HA   ASP  66           HA       ASP  66  12.376   1.422   8.857
  482   1HB   ASP  66          HB2       ASP  66  11.842  -1.545   8.314
  483   2HB   ASP  66          HB3       ASP  66  13.075  -0.508   7.592
  484    H    ALA  67           H        ALA  67   9.704  -0.905   8.696
  485    HA   ALA  67           HA       ALA  67   8.704  -0.200   6.133
  486   1HB   ALA  67          HB1       ALA  67   8.370  -2.420   7.168
  487   2HB   ALA  67          HB2       ALA  67   7.419  -1.679   8.464
  488   3HB   ALA  67          HB3       ALA  67   6.809  -1.652   6.799
  489    H    ARG  68           H        ARG  68   7.908   0.633   9.495
  490    HA   ARG  68           HA       ARG  68   5.625   2.233   8.999
  491   1HB   ARG  68          HB2       ARG  68   7.404   1.577  11.165
  492   2HB   ARG  68          HB3       ARG  68   7.004   3.307  11.250
  493   1HG   ARG  68          HG2       ARG  68   5.365   2.159  12.542
  494   2HG   ARG  68          HG3       ARG  68   4.580   2.611  11.027
  495   1HD   ARG  68          HD2       ARG  68   5.369   0.133  10.291
  496   2HD   ARG  68          HD3       ARG  68   5.481  -0.110  12.033
  497    HE   ARG  68           HE       ARG  68   3.020   1.104  10.915
  498   1HH1  ARG  68          HH22      ARG  68   4.364  -2.042  12.105
  499   2HH1  ARG  68          HH21      ARG  68   2.768  -2.471  12.756
  500   1HH2  ARG  68          HH11      ARG  68   1.023   0.335  11.601
  501   2HH2  ARG  68          HH12      ARG  68   0.930  -1.132  12.495
  502    H    GLU  69           H        GLU  69   9.044   3.437   9.510
  503    HA   GLU  69           HA       GLU  69   8.696   6.052   8.707
  504   1HB   GLU  69          HB2       GLU  69  10.842   4.636   9.402
  505   2HB   GLU  69          HB3       GLU  69  11.077   4.532   7.656
  506   1HG   GLU  69          HG2       GLU  69  10.919   7.035   9.383
  507   2HG   GLU  69          HG3       GLU  69  12.307   6.425   8.481
  508    H    LEU  70           H        LEU  70   9.491   3.281   6.554
  509    HA   LEU  70           HA       LEU  70   9.255   4.605   4.157
  510   1HB   LEU  70          HB2       LEU  70   8.966   1.738   5.035
  511   2HB   LEU  70          HB3       LEU  70   8.183   2.076   3.562
  512    HG   LEU  70           HG       LEU  70  10.219   1.351   2.841
  513   1HD1  LEU  70          HD11      LEU  70   9.598   3.765   2.037
  514   2HD1  LEU  70          HD12      LEU  70  11.025   4.262   2.960
  515   3HD1  LEU  70          HD13      LEU  70  11.200   3.094   1.640
  516   1HD2  LEU  70          HD21      LEU  70  11.368   1.198   4.950
  517   2HD2  LEU  70          HD22      LEU  70  12.413   2.031   3.787
  518   3HD2  LEU  70          HD23      LEU  70  11.562   2.967   5.037
  519    H    SER  71           H        SER  71   6.596   3.327   6.106
  520    HA   SER  71           HA       SER  71   4.631   3.589   4.045
  521   1HB   SER  71          HB2       SER  71   3.075   2.919   5.643
  522   2HB   SER  71          HB3       SER  71   4.543   2.208   6.272
  523    HG   SER  71           HG       SER  71   4.700   4.110   7.630
  524    H    LYS  72           H        LYS  72   6.067   5.798   6.394
  525    HA   LYS  72           HA       LYS  72   4.039   7.843   6.136
  526   1HB   LYS  72          HB2       LYS  72   6.960   8.402   6.755
  527   2HB   LYS  72          HB3       LYS  72   5.514   9.350   7.141
  528   1HG   LYS  72          HG2       LYS  72   4.793   7.152   8.445
  529   2HG   LYS  72          HG3       LYS  72   6.512   6.785   8.387
  530   1HD   LYS  72          HD2       LYS  72   5.080   9.160   9.654
  531   2HD   LYS  72          HD3       LYS  72   6.011   7.922  10.489
  532   1HE   LYS  72          HE2       LYS  72   7.097  10.161   8.689
  533   2HE   LYS  72          HE3       LYS  72   7.218  10.043  10.444
  534   1HZ   LYS  72          HZ1       LYS  72   8.630   8.376   8.445
  535   2HZ   LYS  72          HZ2       LYS  72   9.256   9.365   9.503
  536   3HZ   LYS  72          HZ3       LYS  72   8.562   7.979  10.046
  537    H    THR  73           H        THR  73   7.178   7.218   4.507
  538    HA   THR  73           HA       THR  73   6.767   9.507   2.759
  539    HB   THR  73           HB       THR  73   9.036   8.664   3.379
  540    HG1  THR  73           HG1      THR  73   8.189   9.129   0.718
  541   1HG2  THR  73          HG21      THR  73   8.521   6.581   1.214
  542   2HG2  THR  73          HG22      THR  73  10.089   7.008   1.927
  543   3HG2  THR  73          HG23      THR  73   8.832   6.303   2.942
  544    H    PHE  74           H        PHE  74   5.575   6.248   2.661
  545    HA   PHE  74           HA       PHE  74   4.961   6.303  -0.221
  546   1HB   PHE  74          HB2       PHE  74   4.047   4.526   2.047
  547   2HB   PHE  74          HB3       PHE  74   3.643   4.272   0.361
  548    HD1  PHE  74           HD1      PHE  74   4.587   2.034   1.623
  549    HD2  PHE  74           HD2      PHE  74   6.895   5.230  -0.124
  550    HE1  PHE  74           HE1      PHE  74   6.511   0.489   1.269
  551    HE2  PHE  74           HE2      PHE  74   8.816   3.708  -0.364
  552    HZ   PHE  74           HZ       PHE  74   8.656   1.366   0.518
  553    H    ILE  75           H        ILE  75   3.478   7.644   2.638
  554    HA   ILE  75           HA       ILE  75   0.779   7.405   1.853
  555    HB   ILE  75           HB       ILE  75   2.203   9.511   3.461
  556   1HG1  ILE  75          HG12      ILE  75  -0.123   7.634   4.105
  557   2HG1  ILE  75          HG13      ILE  75   1.532   7.116   4.135
  558   1HG2  ILE  75          HG21      ILE  75   0.463  10.834   2.364
  559   2HG2  ILE  75          HG22      ILE  75  -0.748   9.573   2.686
  560   3HG2  ILE  75          HG23      ILE  75  -0.029  10.508   4.015
  561   1HD1  ILE  75          HD11      ILE  75   0.299   9.286   5.893
  562   2HD1  ILE  75          HD12      ILE  75   0.926   7.711   6.402
  563   3HD1  ILE  75          HD13      ILE  75   2.040   8.960   5.813
  564    H    ILE  76           H        ILE  76  -0.344   8.049   0.186
  565    HA   ILE  76           HA       ILE  76   0.586  10.430  -1.414
  566    HB   ILE  76           HB       ILE  76  -0.493   9.172  -3.350
  567   1HG1  ILE  76          HG12      ILE  76   0.053   6.666  -1.753
  568   2HG1  ILE  76          HG13      ILE  76  -1.520   7.466  -1.593
  569   1HG2  ILE  76          HG21      ILE  76   2.045   8.002  -2.152
  570   2HG2  ILE  76          HG22      ILE  76   1.552   7.956  -3.856
  571   3HG2  ILE  76          HG23      ILE  76   1.936   9.499  -3.091
  572   1HD1  ILE  76          HD11      ILE  76  -1.289   5.617  -3.362
  573   2HD1  ILE  76          HD12      ILE  76  -2.130   7.117  -3.792
  574   3HD1  ILE  76          HD13      ILE  76  -0.460   6.848  -4.340
  575    H    GLY  77           H        GLY  77  -2.034   9.253   0.498
  576   1HA   GLY  77          HA1       GLY  77  -3.798  11.356   0.110
  577   2HA   GLY  77          HA2       GLY  77  -4.174  10.224  -1.209
  578    H    GLU  78           H        GLU  78  -6.403  10.134   0.273
  579    HA   GLU  78           HA       GLU  78  -5.964   7.868   2.136
  580   1HB   GLU  78          HB2       GLU  78  -8.031  10.131   2.197
  581   2HB   GLU  78          HB3       GLU  78  -7.615   9.020   3.499
  582   1HG   GLU  78          HG2       GLU  78  -6.691  11.107   4.167
  583   2HG   GLU  78          HG3       GLU  78  -5.378  10.044   3.676
  584    H    LEU  79           H        LEU  79  -7.934   6.629   2.531
  585    HA   LEU  79           HA       LEU  79  -9.537   5.998   0.207
  586   1HB   LEU  79          HB2       LEU  79  -9.137   4.453   2.121
  587   2HB   LEU  79          HB3       LEU  79  -9.942   5.597   3.199
  588    HG   LEU  79           HG       LEU  79 -12.062   5.317   1.800
  589   1HD1  LEU  79          HD11      LEU  79 -11.534   2.737   0.740
  590   2HD1  LEU  79          HD12      LEU  79 -11.927   4.220  -0.156
  591   3HD1  LEU  79          HD13      LEU  79 -10.242   3.773   0.126
  592   1HD2  LEU  79          HD21      LEU  79 -12.661   3.278   2.892
  593   2HD2  LEU  79          HD22      LEU  79 -10.947   2.865   3.173
  594   3HD2  LEU  79          HD23      LEU  79 -11.706   4.294   3.945
  595    H    HIS  80           H        HIS  80 -11.193   7.163  -0.634
  596    HA   HIS  80           HA       HIS  80 -12.215   9.409   0.691
  597   1HB   HIS  80          HB2       HIS  80 -12.176   9.154  -1.763
  598   2HB   HIS  80          HB3       HIS  80 -13.461   7.930  -1.634
  599    HD1  HIS  80           HD1      HIS  80 -15.938   9.025  -1.121
  600    HD2  HIS  80           HD2      HIS  80 -12.621  11.492  -0.613
  601    HE1  HIS  80           HE1      HIS  80 -16.815  11.223  -0.148
  602    HA   PRO  81           HA       PRO  81 -14.526   7.176   3.547
  603   1HB   PRO  81          HB2       PRO  81 -16.038   9.879   3.722
  604   2HB   PRO  81          HB3       PRO  81 -15.688   8.806   5.072
  605   1HG   PRO  81          HG2       PRO  81 -14.120  10.985   4.503
  606   2HG   PRO  81          HG3       PRO  81 -13.272   9.435   4.850
  607   1HD   PRO  81          HD2       PRO  81 -13.883  10.717   2.186
  608   2HD   PRO  81          HD3       PRO  81 -12.421   9.864   2.750
  609    H    ASP  82           H        ASP  82 -16.202   8.599   1.003
  610    HA   ASP  82           HA       ASP  82 -18.885   7.870   1.634
  611   1HB   ASP  82          HB2       ASP  82 -18.237   9.210  -0.397
  612   2HB   ASP  82          HB3       ASP  82 -17.473   7.750  -1.088
  613    H    ASP  83           H        ASP  83 -16.033   6.162   0.535
  614    HA   ASP  83           HA       ASP  83 -16.628   3.628  -0.065
  615   1HB   ASP  83          HB2       ASP  83 -14.436   4.811   0.191
  616   2HB   ASP  83          HB3       ASP  83 -14.465   4.665   1.878
  617    H    ARG  84           H        ARG  84 -16.055   4.577   3.324
  618    HA   ARG  84           HA       ARG  84 -16.354   1.778   3.981
  619   1HB   ARG  84          HB2       ARG  84 -15.403   2.643   6.278
  620   2HB   ARG  84          HB3       ARG  84 -14.489   2.350   4.825
  621   1HG   ARG  84          HG2       ARG  84 -13.529   4.174   5.678
  622   2HG   ARG  84          HG3       ARG  84 -14.425   4.816   4.332
  623   1HD   ARG  84          HD2       ARG  84 -15.163   4.959   7.311
  624   2HD   ARG  84          HD3       ARG  84 -14.382   6.237   6.392
  625    HE   ARG  84           HE       ARG  84 -16.341   6.552   5.029
  626   1HH1  ARG  84          HH22      ARG  84 -17.061   4.758   7.956
  627   2HH1  ARG  84          HH21      ARG  84 -18.210   3.836   7.084
  628   1HH2  ARG  84          HH11      ARG  84 -18.321   6.172   4.411
  629   2HH2  ARG  84          HH12      ARG  84 -19.096   4.788   5.075
  630    HHA  HEM 201           HGM      HEM 201   9.259  -8.475   5.470
  631    HHB  HEM 201           HDM      HEM 201   8.488  -2.168   4.439
  632    HHC  HEM 201           HAM      HEM 201   2.271  -3.228   3.026
  633    HHD  HEM 201           HBM      HEM 201   3.407  -9.572   3.043
  634   1HMA  HEM 201          HM81      HEM 201  10.725  -2.602   4.603
  635   2HMA  HEM 201          HM82      HEM 201  10.602  -2.944   6.335
  636   3HMA  HEM 201          HM83      HEM 201  11.796  -3.785   5.333
  637   1HAA  HEM 201          HP71      HEM 201  11.220  -7.413   5.925
  638   2HAA  HEM 201          HP72      HEM 201  11.852  -5.741   6.298
  639   1HBA  HEM 201          HP73      HEM 201  11.367  -6.925   8.344
  640   2HBA  HEM 201          HP74      HEM 201   9.641  -7.194   7.787
  641   1HMB  HEM 201          HM11      HEM 201   6.774  -0.071   4.937
  642   2HMB  HEM 201          HM12      HEM 201   7.639  -0.298   3.405
  643   3HMB  HEM 201          HM13      HEM 201   6.109   0.569   3.449
  644    HAB  HEM 201          HT2A      HEM 201   2.480  -1.178   3.617
  645   1HBB  HEM 201          HV2C      HEM 201   4.117   1.203   3.765
  646   2HBB  HEM 201          HV2T      HEM 201   2.907   0.568   5.070
  647   1HMC  HEM 201          HM31      HEM 201   0.249  -4.472   3.661
  648   2HMC  HEM 201          HM32      HEM 201   0.223  -4.684   1.898
  649   3HMC  HEM 201          HM33      HEM 201  -0.422  -5.952   2.959
  650    HAC  HEM 201          HT4A      HEM 201   1.075  -9.175   3.362
  651   1HBC  HEM 201          HV4C      HEM 201  -0.043  -7.607   1.021
  652   2HBC  HEM 201          HV4T      HEM 201  -0.046  -9.453   1.277
  653   1HMD  HEM 201          HM51      HEM 201   4.396 -11.633   4.457
  654   2HMD  HEM 201          HM52      HEM 201   4.823 -11.527   2.732
  655   3HMD  HEM 201          HM53      HEM 201   5.924 -12.308   3.869
  656   1HAD  HEM 201          HP61      HEM 201   8.137 -11.684   3.903
  657   2HAD  HEM 201          HP62      HEM 201   9.153 -10.575   4.921
  658   1HBD  HEM 201          HP63      HEM 201   8.126 -11.305   6.921
  659   2HBD  HEM 201          HP64      HEM 201   6.857 -12.258   6.000
  Start of MODEL   29
    1   1H    ALA   3          H1        ALA   3  -5.518  21.335   2.334
    2   2H    ALA   3          H2        ALA   3  -6.609  21.592   1.151
    3   3H    ALA   3          H3        ALA   3  -6.837  22.328   2.628
    4    HA   ALA   3           HA       ALA   3  -7.292  20.322   3.693
    5   1HB   ALA   3          HB1       ALA   3  -8.485  20.018   0.891
    6   2HB   ALA   3          HB2       ALA   3  -9.111  19.302   2.391
    7   3HB   ALA   3          HB3       ALA   3  -9.159  21.055   2.169
    8    H    VAL   4           H        VAL   4  -7.736  17.735   2.505
    9    HA   VAL   4           HA       VAL   4  -4.975  16.865   1.931
   10    HB   VAL   4           HB       VAL   4  -7.235  14.903   1.707
   11   1HG1  VAL   4          HG11      VAL   4  -4.641  14.922   3.320
   12   2HG1  VAL   4          HG12      VAL   4  -5.661  13.530   2.937
   13   3HG1  VAL   4          HG13      VAL   4  -4.757  14.337   1.648
   14   1HG2  VAL   4          HG21      VAL   4  -6.683  16.125   4.393
   15   2HG2  VAL   4          HG22      VAL   4  -8.226  16.047   3.482
   16   3HG2  VAL   4          HG23      VAL   4  -7.476  14.559   4.071
   17    H    LYS   5           H        LYS   5  -6.041  14.759   0.117
   18    HA   LYS   5           HA       LYS   5  -7.438  16.274  -1.989
   19   1HB   LYS   5          HB2       LYS   5  -5.894  13.662  -2.395
   20   2HB   LYS   5          HB3       LYS   5  -6.806  14.559  -3.606
   21   1HG   LYS   5          HG2       LYS   5  -5.087  16.361  -3.540
   22   2HG   LYS   5          HG3       LYS   5  -4.198  15.444  -2.295
   23   1HD   LYS   5          HD2       LYS   5  -4.203  13.454  -3.852
   24   2HD   LYS   5          HD3       LYS   5  -4.907  14.483  -5.113
   25   1HE   LYS   5          HE2       LYS   5  -2.839  15.893  -5.061
   26   2HE   LYS   5          HE3       LYS   5  -2.188  14.863  -3.770
   27   1HZ   LYS   5          HZ1       LYS   5  -1.312  14.143  -5.842
   28   2HZ   LYS   5          HZ2       LYS   5  -2.358  12.983  -5.314
   29   3HZ   LYS   5          HZ3       LYS   5  -2.803  14.002  -6.520
   30    H    TYR   6           H        TYR   6  -6.709  13.195  -0.455
   31    HA   TYR   6           HA       TYR   6  -7.783  11.276  -0.137
   32   1HB   TYR   6          HB2       TYR   6 -10.411  12.918  -0.177
   33   2HB   TYR   6          HB3       TYR   6 -10.252  11.206  -0.322
   34    HD1  TYR   6           HD1      TYR   6  -9.859   9.753   1.391
   35    HD2  TYR   6           HD2      TYR   6  -9.718  13.987   2.082
   36    HE1  TYR   6           HE1      TYR   6 -10.010   9.327   3.760
   37    HE2  TYR   6           HE2      TYR   6  -9.992  13.581   4.525
   38    HH   TYR   6           HH       TYR   6 -10.427  10.285   5.848
   39    H    TYR   7           H        TYR   7  -8.620   9.716  -1.129
   40    HA   TYR   7           HA       TYR   7  -8.799   9.743  -4.076
   41   1HB   TYR   7          HB2       TYR   7  -6.854   8.818  -2.014
   42   2HB   TYR   7          HB3       TYR   7  -7.337   7.557  -2.954
   43    HD1  TYR   7           HD1      TYR   7  -4.702   7.712  -3.066
   44    HD2  TYR   7           HD2      TYR   7  -7.174  10.725  -4.936
   45    HE1  TYR   7           HE1      TYR   7  -2.703   8.985  -3.731
   46    HE2  TYR   7           HE2      TYR   7  -5.186  11.922  -5.640
   47    HH   TYR   7           HH       TYR   7  -2.149  11.182  -3.994
   48    H    THR   8           H        THR   8 -10.146   8.209  -4.865
   49    HA   THR   8           HA       THR   8 -12.161   7.303  -2.912
   50    HB   THR   8           HB       THR   8 -13.469   6.959  -5.061
   51    HG1  THR   8           HG1      THR   8 -12.413   7.976  -6.910
   52   1HG2  THR   8          HG21      THR   8 -12.195   9.722  -4.741
   53   2HG2  THR   8          HG22      THR   8 -13.746   9.359  -5.522
   54   3HG2  THR   8          HG23      THR   8 -13.558   9.109  -3.774
   55    H    LEU   9           H        LEU   9 -12.929   5.053  -2.968
   56    HA   LEU   9           HA       LEU   9 -10.942   3.041  -3.388
   57   1HB   LEU   9          HB2       LEU   9 -12.493   2.508  -1.945
   58   2HB   LEU   9          HB3       LEU   9 -13.890   2.959  -2.932
   59    HG   LEU   9           HG       LEU   9 -12.061   0.629  -3.675
   60   1HD1  LEU   9          HD11      LEU   9 -13.539  -0.869  -2.376
   61   2HD1  LEU   9          HD12      LEU   9 -12.682   0.273  -1.330
   62   3HD1  LEU   9          HD13      LEU   9 -14.394   0.545  -1.722
   63   1HD2  LEU   9          HD21      LEU   9 -15.049   1.163  -4.115
   64   2HD2  LEU   9          HD22      LEU   9 -13.802   1.238  -5.372
   65   3HD2  LEU   9          HD23      LEU   9 -14.189  -0.304  -4.617
   66    H    GLU  10           H        GLU  10 -13.497   4.285  -5.482
   67    HA   GLU  10           HA       GLU  10 -13.352   2.881  -7.800
   68   1HB   GLU  10          HB2       GLU  10 -14.586   5.032  -7.394
   69   2HB   GLU  10          HB3       GLU  10 -13.076   5.914  -7.580
   70   1HG   GLU  10          HG2       GLU  10 -14.281   6.096  -9.625
   71   2HG   GLU  10          HG3       GLU  10 -12.901   5.042  -9.938
   72    H    GLU  11           H        GLU  11 -10.986   5.479  -6.970
   73    HA   GLU  11           HA       GLU  11  -9.156   4.834  -9.131
   74   1HB   GLU  11          HB2       GLU  11  -8.797   6.349  -6.461
   75   2HB   GLU  11          HB3       GLU  11  -7.556   6.210  -7.666
   76   1HG   GLU  11          HG2       GLU  11 -10.292   7.399  -8.331
   77   2HG   GLU  11          HG3       GLU  11  -9.008   8.357  -7.585
   78    H    ILE  12           H        ILE  12  -9.255   4.150  -5.622
   79    HA   ILE  12           HA       ILE  12  -6.649   3.258  -5.622
   80    HB   ILE  12           HB       ILE  12  -8.892   2.587  -3.677
   81   1HG1  ILE  12          HG12      ILE  12  -6.620   4.487  -3.053
   82   2HG1  ILE  12          HG13      ILE  12  -7.906   5.080  -4.101
   83   1HG2  ILE  12          HG21      ILE  12  -7.092   2.147  -1.998
   84   2HG2  ILE  12          HG22      ILE  12  -7.214   0.937  -3.278
   85   3HG2  ILE  12          HG23      ILE  12  -5.923   2.164  -3.331
   86   1HD1  ILE  12          HD11      ILE  12  -8.210   3.989  -1.277
   87   2HD1  ILE  12          HD12      ILE  12  -8.319   5.678  -1.816
   88   3HD1  ILE  12          HD13      ILE  12  -9.548   4.514  -2.318
   89    H    GLN  13           H        GLU  13  -9.565   1.376  -6.236
   90    HA   GLN  13           HA       GLU  13  -8.485  -1.289  -6.161
   91   1HB   GLN  13          HB2       GLU  13 -10.362   0.073  -8.158
   92   2HB   GLN  13          HB3       GLU  13 -10.132  -1.674  -8.098
   93   1HG   GLN  13          HG2       GLU  13 -11.329  -1.840  -6.032
   94   2HG   GLN  13          HG3       GLU  13 -11.397  -0.086  -5.847
   95    H    LYS  14           H        LYS  14  -8.542   1.279  -8.464
   96    HA   LYS  14           HA       LYS  14  -7.955  -0.167 -10.833
   97   1HB   LYS  14          HB2       LYS  14  -9.198   2.181 -10.027
   98   2HB   LYS  14          HB3       LYS  14  -7.724   2.824 -10.608
   99   1HG   LYS  14          HG2       LYS  14  -9.273   2.883 -12.406
  100   2HG   LYS  14          HG3       LYS  14  -8.358   1.403 -12.780
  101   1HD   LYS  14          HD2       LYS  14 -10.597   0.623 -12.933
  102   2HD   LYS  14          HD3       LYS  14 -10.207   0.225 -11.257
  103   1HE   LYS  14          HE2       LYS  14 -11.182   2.854 -11.056
  104   2HE   LYS  14          HE3       LYS  14 -12.121   2.217 -12.383
  105   1HZ   LYS  14          HZ1       LYS  14 -12.861   0.413 -10.885
  106   2HZ   LYS  14          HZ2       LYS  14 -12.076   1.052  -9.618
  107   3HZ   LYS  14          HZ3       LYS  14 -13.230   1.909 -10.366
  108    H    HIS  15           H        HIS  15  -6.177   1.926  -8.628
  109    HA   HIS  15           HA       HIS  15  -3.648   1.858 -10.084
  110   1HB   HIS  15          HB2       HIS  15  -4.541   2.846  -7.373
  111   2HB   HIS  15          HB3       HIS  15  -2.844   2.712  -7.854
  112    HD1  HIS  15           HD1      HIS  15  -1.943   4.972  -8.678
  113    HD2  HIS  15           HD2      HIS  15  -5.949   4.233  -9.756
  114    HE1  HIS  15           HE1      HIS  15  -2.679   6.909 -10.159
  115    H    ASN  16           H        ASN  16  -4.049  -0.476 -10.297
  116    HA   ASN  16           HA       ASN  16  -2.005  -1.842  -8.665
  117   1HB   ASN  16          HB2       ASN  16  -4.221  -2.428  -7.649
  118   2HB   ASN  16          HB3       ASN  16  -4.699  -3.166  -9.178
  119   1HD2  ASN  16          HD21      ASN  16  -4.559  -4.606  -6.604
  120   2HD2  ASN  16          HD22      ASN  16  -3.250  -5.738  -6.703
  121    H    ASN  17           H        ASN  17  -2.090  -0.521 -11.238
  122    HA   ASN  17           HA       ASN  17  -2.483  -2.680 -13.258
  123   1HB   ASN  17          HB2       ASN  17  -3.312  -0.888 -14.686
  124   2HB   ASN  17          HB3       ASN  17  -4.246  -1.041 -13.198
  125   1HD2  ASN  17          HD21      ASN  17  -4.003   1.325 -14.996
  126   2HD2  ASN  17          HD22      ASN  17  -3.433   2.606 -13.940
  127    H    SER  18           H        SER  18   0.108  -1.591 -11.900
  128    HA   SER  18           HA       SER  18   2.285  -1.858 -12.547
  129   1HB   SER  18          HB2       SER  18   1.302  -2.378 -15.387
  130   2HB   SER  18          HB3       SER  18   2.922  -2.642 -14.749
  131    HG   SER  18           HG       SER  18   1.596  -4.547 -14.762
  132    H    LYS  19           H        LYS  19   1.487   0.357 -11.965
  133    HA   LYS  19           HA       LYS  19   2.507   2.547 -13.616
  134   1HB   LYS  19          HB2       LYS  19  -0.452   2.036 -13.017
  135   2HB   LYS  19          HB3       LYS  19   0.159   3.612 -13.407
  136   1HG   LYS  19          HG2       LYS  19   0.072   1.170 -15.217
  137   2HG   LYS  19          HG3       LYS  19  -0.960   2.591 -15.287
  138   1HD   LYS  19          HD2       LYS  19   1.062   4.018 -15.740
  139   2HD   LYS  19          HD3       LYS  19   2.038   2.532 -15.835
  140   1HE   LYS  19          HE2       LYS  19   0.595   1.684 -17.671
  141   2HE   LYS  19          HE3       LYS  19  -0.379   3.164 -17.599
  142   1HZ   LYS  19          HZ1       LYS  19   1.244   3.264 -19.341
  143   2HZ   LYS  19          HZ2       LYS  19   1.582   4.410 -18.212
  144   3HZ   LYS  19          HZ3       LYS  19   2.483   3.032 -18.285
  145    H    SER  20           H        SER  20   0.200   1.588 -11.065
  146    HA   SER  20           HA       SER  20   1.718   2.803  -8.906
  147   1HB   SER  20          HB2       SER  20  -1.193   3.158  -9.658
  148   2HB   SER  20          HB3       SER  20  -0.658   3.130  -7.970
  149    HG   SER  20           HG       SER  20   0.659   4.880  -8.319
  150    H    THR  21           H        THR  21   1.679   1.217  -7.332
  151    HA   THR  21           HA       THR  21  -0.600  -0.745  -7.272
  152    HB   THR  21           HB       THR  21   2.232  -1.233  -6.317
  153    HG1  THR  21           HG1      THR  21   1.812  -1.245  -8.605
  154   1HG2  THR  21          HG21      THR  21  -0.229  -3.030  -6.388
  155   2HG2  THR  21          HG22      THR  21   1.411  -3.575  -6.011
  156   3HG2  THR  21          HG23      THR  21   0.599  -2.436  -4.918
  157    H    TRP  22           H        TRP  22  -1.987   0.215  -5.944
  158    HA   TRP  22           HA       TRP  22  -1.096   1.903  -3.687
  159   1HB   TRP  22          HB2       TRP  22  -3.572   1.671  -5.389
  160   2HB   TRP  22          HB3       TRP  22  -3.687   2.398  -3.827
  161    HD1  TRP  22           HD1      TRP  22  -0.463   3.119  -5.553
  162    HE1  TRP  22           HE1      TRP  22  -0.367   5.391  -6.562
  163    HE3  TRP  22           HE3      TRP  22  -5.250   4.430  -4.660
  164    HZ2  TRP  22           HZ2      TRP  22  -2.340   7.584  -7.129
  165    HZ3  TRP  22           HZ3      TRP  22  -6.229   6.507  -5.629
  166    HH2  TRP  22           HH2      TRP  22  -4.813   8.041  -6.932
  167    H    LEU  23           H        LEU  23  -1.924   1.603  -1.556
  168    HA   LEU  23           HA       LEU  23  -3.939  -0.477  -1.167
  169   1HB   LEU  23          HB2       LEU  23  -2.203  -1.112   0.939
  170   2HB   LEU  23          HB3       LEU  23  -2.632  -2.070  -0.420
  171    HG   LEU  23           HG       LEU  23  -0.617  -1.091  -1.681
  172   1HD1  LEU  23          HD11      LEU  23  -0.271   0.692  -0.119
  173   2HD1  LEU  23          HD12      LEU  23   0.024  -0.443   1.226
  174   3HD1  LEU  23          HD13      LEU  23   1.144  -0.350  -0.148
  175   1HD2  LEU  23          HD21      LEU  23  -0.392  -2.954   0.709
  176   2HD2  LEU  23          HD22      LEU  23  -0.787  -3.423  -0.956
  177   3HD2  LEU  23          HD23      LEU  23   0.826  -2.801  -0.581
  178    H    ILE  24           H        ILE  24  -4.934  -0.406   0.901
  179    HA   ILE  24           HA       ILE  24  -4.602   2.234   2.245
  180    HB   ILE  24           HB       ILE  24  -6.794   0.278   2.963
  181   1HG1  ILE  24          HG12      ILE  24  -7.491   2.328   0.886
  182   2HG1  ILE  24          HG13      ILE  24  -6.878   0.782   0.348
  183   1HG2  ILE  24          HG21      ILE  24  -6.407   2.248   4.362
  184   2HG2  ILE  24          HG22      ILE  24  -6.692   3.306   2.967
  185   3HG2  ILE  24          HG23      ILE  24  -8.004   2.303   3.612
  186   1HD1  ILE  24          HD11      ILE  24  -9.352   0.810   0.499
  187   2HD1  ILE  24          HD12      ILE  24  -8.571  -0.478   1.421
  188   3HD1  ILE  24          HD13      ILE  24  -9.206   0.918   2.273
  189    H    LEU  25           H        LEU  25  -3.662   2.435   4.057
  190    HA   LEU  25           HA       LEU  25  -3.442   0.153   5.970
  191   1HB   LEU  25          HB2       LEU  25  -1.387   1.998   4.929
  192   2HB   LEU  25          HB3       LEU  25  -1.278   1.515   6.622
  193    HG   LEU  25           HG       LEU  25  -1.043  -0.803   5.970
  194   1HD1  LEU  25          HD11      LEU  25  -0.622  -1.351   3.506
  195   2HD1  LEU  25          HD12      LEU  25  -2.268  -1.173   4.088
  196   3HD1  LEU  25          HD13      LEU  25  -1.504   0.149   3.144
  197   1HD2  LEU  25          HD21      LEU  25   1.143  -0.671   4.711
  198   2HD2  LEU  25          HD22      LEU  25   0.804   1.026   4.356
  199   3HD2  LEU  25          HD23      LEU  25   1.050   0.509   6.040
  200    H    HIS  26           H        HIS  26  -4.818   0.850   7.591
  201    HA   HIS  26           HA       HIS  26  -5.763   2.165   9.198
  202   1HB   HIS  26          HB2       HIS  26  -3.384   4.031   8.886
  203   2HB   HIS  26          HB3       HIS  26  -4.376   3.788  10.320
  204    HD1  HIS  26           HD1      HIS  26  -4.083   1.136  11.394
  205    HD2  HIS  26           HD2      HIS  26  -1.153   2.790   8.867
  206    HE1  HIS  26           HE1      HIS  26  -1.937  -0.130  11.860
  207    H    TYR  27           H        TYR  27  -6.780   2.649   6.668
  208    HA   TYR  27           HA       TYR  27  -7.941   4.138   5.398
  209   1HB   TYR  27          HB2       TYR  27  -8.316   5.647   8.008
  210   2HB   TYR  27          HB3       TYR  27  -9.284   5.798   6.544
  211    HD1  TYR  27           HD1      TYR  27 -11.057   4.272   6.022
  212    HD2  TYR  27           HD2      TYR  27  -8.454   3.534   9.384
  213    HE1  TYR  27           HE1      TYR  27 -12.491   2.402   6.727
  214    HE2  TYR  27           HE2      TYR  27  -9.937   1.702  10.127
  215    HH   TYR  27           HH       TYR  27 -11.810   0.481   9.656
  216    H    LYS  28           H        LYS  28  -5.027   4.543   5.605
  217    HA   LYS  28           HA       LYS  28  -5.195   7.106   4.135
  218   1HB   LYS  28          HB2       LYS  28  -2.756   6.166   5.691
  219   2HB   LYS  28          HB3       LYS  28  -2.832   7.588   4.646
  220   1HG   LYS  28          HG2       LYS  28  -4.423   7.101   7.205
  221   2HG   LYS  28          HG3       LYS  28  -2.897   7.990   7.051
  222   1HD   LYS  28          HD2       LYS  28  -3.812   9.808   5.964
  223   2HD   LYS  28          HD3       LYS  28  -5.178   8.890   5.341
  224   1HE   LYS  28          HE2       LYS  28  -5.117   9.081   8.310
  225   2HE   LYS  28          HE3       LYS  28  -5.336  10.617   7.455
  226   1HZ   LYS  28          HZ1       LYS  28  -7.178   9.866   6.376
  227   2HZ   LYS  28          HZ2       LYS  28  -6.976   8.283   6.763
  228   3HZ   LYS  28          HZ3       LYS  28  -7.426   9.388   7.927
  229    H    VAL  29           H        VAL  29  -3.467   7.062   2.366
  230    HA   VAL  29           HA       VAL  29  -3.544   4.316   1.169
  231    HB   VAL  29           HB       VAL  29  -4.237   6.909  -0.208
  232   1HG1  VAL  29          HG11      VAL  29  -2.902   5.550  -1.766
  233   2HG1  VAL  29          HG12      VAL  29  -3.872   4.118  -1.389
  234   3HG1  VAL  29          HG13      VAL  29  -4.605   5.507  -2.214
  235   1HG2  VAL  29          HG21      VAL  29  -6.003   5.634   1.161
  236   2HG2  VAL  29          HG22      VAL  29  -6.352   5.863  -0.573
  237   3HG2  VAL  29          HG23      VAL  29  -5.771   4.292   0.027
  238    H    TYR  30           H        TYR  30  -1.897   3.596   0.045
  239    HA   TYR  30           HA       TYR  30   0.708   5.032   0.298
  240   1HB   TYR  30          HB2       TYR  30  -0.448   2.352   1.100
  241   2HB   TYR  30          HB3       TYR  30   1.263   2.478   0.955
  242    HD1  TYR  30           HD1      TYR  30   2.426   3.641   2.922
  243    HD2  TYR  30           HD2      TYR  30  -1.856   3.486   2.633
  244    HE1  TYR  30           HE1      TYR  30   2.185   4.477   5.277
  245    HE2  TYR  30           HE2      TYR  30  -2.039   4.414   4.870
  246    HH   TYR  30           HH       TYR  30   0.784   4.964   6.960
  247    H    ASP  31           H        ASP  31   1.790   5.037  -1.719
  248    HA   ASP  31           HA       ASP  31   0.998   2.979  -3.748
  249   1HB   ASP  31          HB2       ASP  31   1.192   5.545  -4.358
  250   2HB   ASP  31          HB3       ASP  31   2.942   5.192  -4.297
  251    H    LEU  32           H        LEU  32   2.554   1.453  -4.255
  252    HA   LEU  32           HA       LEU  32   5.143   1.682  -2.754
  253   1HB   LEU  32          HB2       LEU  32   3.705  -0.856  -3.649
  254   2HB   LEU  32          HB3       LEU  32   5.206  -0.804  -2.746
  255    HG   LEU  32           HG       LEU  32   2.447  -0.031  -1.897
  256   1HD1  LEU  32          HD11      LEU  32   2.903  -1.612  -0.003
  257   2HD1  LEU  32          HD12      LEU  32   3.091  -2.397  -1.587
  258   3HD1  LEU  32          HD13      LEU  32   4.518  -1.877  -0.626
  259   1HD2  LEU  32          HD21      LEU  32   4.923   0.511  -0.245
  260   2HD2  LEU  32          HD22      LEU  32   3.809   1.744  -0.886
  261   3HD2  LEU  32          HD23      LEU  32   3.220   0.618   0.314
  262    H    THR  33           H        THR  33   3.866   0.178  -5.683
  263    HA   THR  33           HA       THR  33   4.810  -0.522  -7.563
  264    HB   THR  33           HB       THR  33   5.338   2.468  -7.660
  265    HG1  THR  33           HG1      THR  33   3.272   2.228  -7.141
  266   1HG2  THR  33          HG21      THR  33   6.263   1.329  -9.676
  267   2HG2  THR  33          HG22      THR  33   4.740   0.428  -9.865
  268   3HG2  THR  33          HG23      THR  33   4.764   2.192 -10.065
  269    H    LYS  34           H        LYS  34   7.406   1.718  -6.403
  270    HA   LYS  34           HA       LYS  34   9.486   0.139  -7.804
  271   1HB   LYS  34          HB2       LYS  34   9.646   2.366  -5.724
  272   2HB   LYS  34          HB3       LYS  34  11.025   1.597  -6.526
  273   1HG   LYS  34          HG2       LYS  34  10.171   2.357  -8.732
  274   2HG   LYS  34          HG3       LYS  34   8.818   3.177  -7.922
  275   1HD   LYS  34          HD2       LYS  34  10.428   4.546  -6.617
  276   2HD   LYS  34          HD3       LYS  34  11.781   3.728  -7.426
  277   1HE   LYS  34          HE2       LYS  34  10.980   4.589  -9.630
  278   2HE   LYS  34          HE3       LYS  34   9.634   5.411  -8.819
  279   1HZ   LYS  34          HZ1       LYS  34  12.495   5.974  -8.382
  280   2HZ   LYS  34          HZ2       LYS  34  11.451   6.898  -9.253
  281   3HZ   LYS  34          HZ3       LYS  34  11.245   6.739  -7.631
  282    H    PHE  35           H        PHE  35   8.001   0.533  -4.602
  283    HA   PHE  35           HA       PHE  35  10.118  -0.731  -3.139
  284   1HB   PHE  35          HB2       PHE  35   8.310   0.846  -2.186
  285   2HB   PHE  35          HB3       PHE  35   7.214  -0.559  -2.288
  286    HD1  PHE  35           HD1      PHE  35   6.885  -1.822  -0.417
  287    HD2  PHE  35           HD2      PHE  35  10.697   0.148  -0.959
  288    HE1  PHE  35           HE1      PHE  35   7.753  -2.961   1.540
  289    HE2  PHE  35           HE2      PHE  35  11.553  -0.984   1.059
  290    HZ   PHE  35           HZ       PHE  35  10.172  -2.673   2.211
  291    H    LEU  36           H        LEU  36   7.405  -1.858  -4.903
  292    HA   LEU  36           HA       LEU  36   6.827  -4.454  -4.127
  293   1HB   LEU  36          HB2       LEU  36   7.403  -3.288  -6.889
  294   2HB   LEU  36          HB3       LEU  36   6.503  -4.734  -6.586
  295    HG   LEU  36           HG       LEU  36   5.620  -1.967  -5.934
  296   1HD1  LEU  36          HD11      LEU  36   3.855  -2.514  -7.534
  297   2HD1  LEU  36          HD12      LEU  36   5.405  -2.934  -8.288
  298   3HD1  LEU  36          HD13      LEU  36   4.367  -4.187  -7.615
  299   1HD2  LEU  36          HD21      LEU  36   3.510  -2.998  -5.094
  300   2HD2  LEU  36          HD22      LEU  36   4.347  -4.563  -5.034
  301   3HD2  LEU  36          HD23      LEU  36   4.911  -3.191  -4.048
  302    H    GLU  37           H        GLU  37   9.697  -3.222  -5.833
  303    HA   GLU  37           HA       GLU  37  10.811  -5.837  -6.371
  304   1HB   GLU  37          HB2       GLU  37  11.023  -3.564  -7.622
  305   2HB   GLU  37          HB3       GLU  37  12.268  -3.156  -6.442
  306   1HG   GLU  37          HG2       GLU  37  12.261  -5.643  -8.215
  307   2HG   GLU  37          HG3       GLU  37  13.026  -4.108  -8.653
  308    H    GLU  38           H        GLU  38  11.618  -3.145  -4.196
  309    HA   GLU  38           HA       GLU  38  13.812  -4.254  -2.853
  310   1HB   GLU  38          HB2       GLU  38  12.961  -1.845  -2.953
  311   2HB   GLU  38          HB3       GLU  38  11.768  -2.285  -1.730
  312   1HG   GLU  38          HG2       GLU  38  13.647  -2.874  -0.181
  313   2HG   GLU  38          HG3       GLU  38  14.802  -2.374  -1.432
  314    H    HIS  39           HN       HIS  39  10.372  -4.406  -2.120
  315    HA   HIS  39           HA       HIS  39  10.366  -4.958   0.532
  316   1HB   HIS  39          HB2       HIS  39   8.394  -4.335  -0.805
  317   2HB   HIS  39          HB3       HIS  39   8.423  -5.920  -1.587
  318    HD1  HIS  39           HD1      HIS  39   6.396  -7.203  -0.617
  319    HD2  HIS  39           HD2      HIS  39   8.551  -4.934   2.201
  320    HE1  HIS  39           HE1      HIS  39   5.173  -7.428   1.607
  321    HA   PRO  40           HA       PRO  40  11.994  -9.221   0.809
  322   1HB   PRO  40          HB2       PRO  40  10.596  -8.871   3.476
  323   2HB   PRO  40          HB3       PRO  40  12.133  -9.720   3.131
  324   1HG   PRO  40          HG2       PRO  40  12.242  -7.192   4.072
  325   2HG   PRO  40          HG3       PRO  40  13.238  -7.619   2.651
  326   1HD   PRO  40          HD2       PRO  40  10.559  -6.214   2.687
  327   2HD   PRO  40          HD3       PRO  40  12.048  -5.791   1.785
  328    H    GLY  41           H        GLY  41   8.622  -8.327   1.723
  329   1HA   GLY  41          HA1       GLY  41   7.410 -10.904   1.553
  330   2HA   GLY  41          HA2       GLY  41   6.626  -9.383   1.290
  331    H    GLY  42           H        GLY  42   8.691  -8.775  -0.991
  332   1HA   GLY  42          HA1       GLY  42   8.814  -9.112  -3.271
  333   2HA   GLY  42          HA2       GLY  42   7.728 -10.506  -3.153
  334    H    GLU  43           H        GLU  43   7.305  -8.921  -5.188
  335    HA   GLU  43           HA       GLU  43   5.422  -6.790  -4.767
  336   1HB   GLU  43          HB2       GLU  43   6.866  -6.970  -6.731
  337   2HB   GLU  43          HB3       GLU  43   6.045  -8.396  -7.292
  338   1HG   GLU  43          HG2       GLU  43   4.258  -6.113  -6.806
  339   2HG   GLU  43          HG3       GLU  43   5.463  -5.945  -8.134
  340    H    GLU  44           H        GLU  44   5.072 -10.174  -5.920
  341    HA   GLU  44           HA       GLU  44   2.500 -10.356  -6.416
  342   1HB   GLU  44          HB2       GLU  44   4.042 -12.484  -4.845
  343   2HB   GLU  44          HB3       GLU  44   2.566 -12.747  -5.783
  344   1HG   GLU  44          HG2       GLU  44   3.767 -11.985  -7.842
  345   2HG   GLU  44          HG3       GLU  44   5.269 -11.867  -6.906
  346    H    VAL  45           H        VAL  45   3.587 -11.041  -3.035
  347    HA   VAL  45           HA       VAL  45   0.934 -11.312  -2.047
  348    HB   VAL  45           HB       VAL  45   3.081 -12.173  -1.032
  349   1HG1  VAL  45          HG11      VAL  45   4.323  -9.972  -1.066
  350   2HG1  VAL  45          HG12      VAL  45   3.290  -9.421   0.267
  351   3HG1  VAL  45          HG13      VAL  45   4.348 -10.819   0.495
  352   1HG2  VAL  45          HG21      VAL  45   2.273 -12.028   1.280
  353   2HG2  VAL  45          HG22      VAL  45   1.169 -10.713   0.830
  354   3HG2  VAL  45          HG23      VAL  45   0.946 -12.332   0.143
  355    H    LEU  46           H        LEU  46   2.984  -8.403  -2.405
  356    HA   LEU  46           HA       LEU  46   1.223  -6.647  -0.869
  357   1HB   LEU  46          HB2       LEU  46   3.130  -6.046  -3.186
  358   2HB   LEU  46          HB3       LEU  46   2.272  -4.845  -2.244
  359    HG   LEU  46           HG       LEU  46   4.254  -6.811  -1.030
  360   1HD1  LEU  46          HD11      LEU  46   5.428  -5.416  -2.631
  361   2HD1  LEU  46          HD12      LEU  46   4.599  -3.963  -2.040
  362   3HD1  LEU  46          HD13      LEU  46   5.781  -4.763  -1.020
  363   1HD2  LEU  46          HD21      LEU  46   2.859  -4.295  -0.019
  364   2HD2  LEU  46          HD22      LEU  46   2.757  -5.950   0.620
  365   3HD2  LEU  46          HD23      LEU  46   4.263  -5.023   0.772
  366    H    ARG  47           H        ARG  47   1.532  -7.743  -4.232
  367    HA   ARG  47           HA       ARG  47  -0.266  -5.811  -5.186
  368   1HB   ARG  47          HB2       ARG  47   1.648  -6.937  -6.419
  369   2HB   ARG  47          HB3       ARG  47   0.604  -8.350  -6.654
  370   1HG   ARG  47          HG2       ARG  47  -1.003  -7.076  -7.912
  371   2HG   ARG  47          HG3       ARG  47  -0.346  -5.541  -7.289
  372   1HD   ARG  47          HD2       ARG  47   1.703  -5.817  -8.477
  373   2HD   ARG  47          HD3       ARG  47   1.129  -7.348  -9.201
  374    HE   ARG  47           HE       ARG  47  -0.789  -5.250  -9.599
  375   1HH1  ARG  47          HH22      ARG  47   2.564  -6.031 -10.546
  376   2HH1  ARG  47          HH21      ARG  47   2.449  -5.211 -12.088
  377   1HH2  ARG  47          HH11      ARG  47  -0.965  -4.256 -11.640
  378   2HH2  ARG  47          HH12      ARG  47   0.437  -4.150 -12.717
  379    H    GLU  48           H        GLU  48  -0.588  -9.211  -4.451
  380    HA   GLU  48           HA       GLU  48  -3.226  -9.897  -5.042
  381   1HB   GLU  48          HB2       GLU  48  -1.499 -11.372  -4.099
  382   2HB   GLU  48          HB3       GLU  48  -1.441 -10.415  -2.613
  383   1HG   GLU  48          HG2       GLU  48  -3.605 -11.145  -1.940
  384   2HG   GLU  48          HG3       GLU  48  -3.915 -11.926  -3.512
  385    H    GLN  49           H        GLN  49  -1.899  -8.037  -2.304
  386    HA   GLN  49           HA       GLN  49  -4.504  -7.615  -1.085
  387   1HB   GLN  49          HB2       GLN  49  -2.163  -8.075  -0.020
  388   2HB   GLN  49          HB3       GLN  49  -1.851  -6.362  -0.313
  389   1HG   GLN  49          HG2       GLN  49  -2.588  -6.611   1.917
  390   2HG   GLN  49          HG3       GLN  49  -3.927  -5.857   1.017
  391   1HE2  GLN  49          HE21      GLN  49  -5.878  -6.668   1.693
  392   2HE2  GLN  49          HE22      GLN  49  -6.158  -8.337   2.182
  393    H    ALA  50           H        ALA  50  -2.283  -5.817  -3.121
  394    HA   ALA  50           HA       ALA  50  -3.079  -3.178  -2.637
  395   1HB   ALA  50          HB1       ALA  50  -1.988  -2.681  -4.784
  396   2HB   ALA  50          HB2       ALA  50  -1.030  -3.797  -3.791
  397   3HB   ALA  50          HB3       ALA  50  -1.974  -4.400  -5.174
  398    H    GLY  51           H        GLY  51  -4.123  -1.689  -4.105
  399   1HA   GLY  51          HA1       GLY  51  -6.236  -0.901  -4.394
  400   2HA   GLY  51          HA2       GLY  51  -6.328  -2.022  -5.760
  401    H    GLY  52           H        GLY  52  -5.988  -2.058  -2.175
  402   1HA   GLY  52          HA1       GLY  52  -8.686  -2.168  -1.538
  403   2HA   GLY  52          HA2       GLY  52  -8.018  -3.829  -1.455
  404    H    ASP  53           H        ASP  53  -8.473  -3.457   0.735
  405    HA   ASP  53           HA       ASP  53  -6.752  -1.784   2.422
  406   1HB   ASP  53          HB2       ASP  53  -8.906  -2.407   3.405
  407   2HB   ASP  53          HB3       ASP  53  -8.525  -4.138   3.208
  408    H    ALA  54           H        ALA  54  -4.857  -2.291   3.285
  409    HA   ALA  54           HA       ALA  54  -4.070  -5.152   3.454
  410   1HB   ALA  54          HB1       ALA  54  -2.778  -4.064   1.563
  411   2HB   ALA  54          HB2       ALA  54  -2.148  -2.905   2.723
  412   3HB   ALA  54          HB3       ALA  54  -1.783  -4.626   2.925
  413    H    THR  55           H        THR  55  -5.196  -2.693   5.265
  414    HA   THR  55           HA       THR  55  -3.098  -2.110   7.049
  415    HB   THR  55           HB       THR  55  -6.041  -2.336   7.843
  416    HG1  THR  55           HG1      THR  55  -5.976  -1.057   6.047
  417   1HG2  THR  55          HG21      THR  55  -5.386  -0.468   9.366
  418   2HG2  THR  55          HG22      THR  55  -4.418  -1.914   9.691
  419   3HG2  THR  55          HG23      THR  55  -3.713  -0.573   8.763
  420    H    GLU  56           H        GLU  56  -5.616  -4.740   7.143
  421    HA   GLU  56           HA       GLU  56  -4.951  -5.635   9.736
  422   1HB   GLU  56          HB2       GLU  56  -6.316  -7.076   7.400
  423   2HB   GLU  56          HB3       GLU  56  -6.284  -7.613   9.084
  424   1HG   GLU  56          HG2       GLU  56  -7.394  -5.434   9.736
  425   2HG   GLU  56          HG3       GLU  56  -7.562  -5.050   8.012
  426    H    ASN  57           H        ASN  57  -4.082  -6.792   6.473
  427    HA   ASN  57           HA       ASN  57  -2.367  -8.880   7.289
  428   1HB   ASN  57          HB2       ASN  57  -3.371  -8.398   5.003
  429   2HB   ASN  57          HB3       ASN  57  -2.039  -7.266   4.737
  430   1HD2  ASN  57          HD21      ASN  57  -2.567  -9.610   3.122
  431   2HD2  ASN  57          HD22      ASN  57  -1.218 -10.705   3.370
  432    H    PHE  58           H        PHE  58  -1.619  -5.426   6.579
  433    HA   PHE  58           HA       PHE  58   1.172  -5.553   6.881
  434   1HB   PHE  58          HB2       PHE  58  -0.143  -3.580   6.074
  435   2HB   PHE  58          HB3       PHE  58  -0.623  -3.248   7.734
  436    HD1  PHE  58           HD1      PHE  58   1.234  -2.710   9.462
  437    HD2  PHE  58           HD2      PHE  58   1.984  -2.955   5.227
  438    HE1  PHE  58           HE1      PHE  58   3.462  -1.662   9.759
  439    HE2  PHE  58           HE2      PHE  58   4.073  -1.625   5.534
  440    HZ   PHE  58           HZ       PHE  58   4.822  -1.005   7.808
  441    H    GLU  59           H        GLU  59  -1.359  -5.010   9.354
  442    HA   GLU  59           HA       GLU  59   0.428  -4.857  11.612
  443   1HB   GLU  59          HB2       GLU  59  -2.558  -5.404  11.319
  444   2HB   GLU  59          HB3       GLU  59  -1.742  -5.197  12.866
  445   1HG   GLU  59          HG2       GLU  59  -1.677  -3.053  10.691
  446   2HG   GLU  59          HG3       GLU  59  -2.948  -3.163  11.911
  447    H    ASP  60           H        ASP  60  -1.236  -7.447   9.955
  448    HA   ASP  60           HA       ASP  60  -1.141  -9.466  11.923
  449   1HB   ASP  60          HB2       ASP  60  -2.457  -9.416   9.687
  450   2HB   ASP  60          HB3       ASP  60  -0.929  -9.878   8.914
  451    H    HIS  61           H        HIS  61   1.081  -8.535   9.311
  452    HA   HIS  61           HA       HIS  61   3.303 -10.166  10.338
  453   1HB   HIS  61          HB2       HIS  61   3.242  -9.643   7.979
  454   2HB   HIS  61          HB3       HIS  61   3.226  -7.908   8.321
  455    HD1  HIS  61           HD1      HIS  61   5.565  -7.125   7.477
  456    HD2  HIS  61           HD2      HIS  61   5.655 -10.499   9.986
  457    HE1  HIS  61           HE1      HIS  61   7.948  -7.403   8.210
  458    H    GLY  62           H        GLY  62   2.219  -6.765  10.679
  459   1HA   GLY  62          HA1       GLY  62   2.433  -5.539  12.678
  460   2HA   GLY  62          HA2       GLY  62   3.769  -6.562  13.207
  461    H    HIS  63           HN       HIS  63   5.509  -6.550  11.252
  462    HA   HIS  63           HA       HIS  63   7.136  -5.513  10.109
  463   1HB   HIS  63          HB2       HIS  63   5.076  -3.292   9.799
  464   2HB   HIS  63          HB3       HIS  63   6.678  -3.216   9.133
  465    HD1  HIS  63           HD1      HIS  63   3.378  -5.032   8.467
  466    HD2  HIS  63           HD2      HIS  63   7.339  -4.590   7.108
  467    HE1  HIS  63           HE1      HIS  63   3.414  -5.899   6.090
  468    H    SER  64           H        SER  64   8.896  -4.044  10.252
  469    HA   SER  64           HA       SER  64   9.355  -3.182  12.978
  470   1HB   SER  64          HB2       SER  64  11.121  -4.116  11.427
  471   2HB   SER  64          HB3       SER  64  11.121  -2.557  10.584
  472    HG   SER  64           HG       SER  64  12.343  -1.845  12.199
  473    H    THR  65           H        THR  65  10.300  -1.050  13.444
  474    HA   THR  65           HA       THR  65   8.582   1.179  13.172
  475    HB   THR  65           HB       THR  65  11.040   2.231  13.759
  476    HG1  THR  65           HG1      THR  65  12.197   0.236  13.217
  477   1HG2  THR  65          HG21      THR  65  10.712   1.534  16.108
  478   2HG2  THR  65          HG22      THR  65   9.177   2.033  15.369
  479   3HG2  THR  65          HG23      THR  65   9.540   0.304  15.589
  480    H    ASP  66           H        ASP  66  11.433   0.109  11.438
  481    HA   ASP  66           HA       ASP  66  12.007   2.326   9.893
  482   1HB   ASP  66          HB2       ASP  66  12.517  -0.612   9.212
  483   2HB   ASP  66          HB3       ASP  66  13.501   0.786   8.769
  484    H    ALA  67           H        ALA  67  10.082  -0.561   9.169
  485    HA   ALA  67           HA       ALA  67   9.361   0.037   6.487
  486   1HB   ALA  67          HB1       ALA  67   8.187  -1.779   8.607
  487   2HB   ALA  67          HB2       ALA  67   7.633  -1.750   6.920
  488   3HB   ALA  67          HB3       ALA  67   9.298  -2.243   7.315
  489    H    ARG  68           H        ARG  68   7.974   0.543   9.725
  490    HA   ARG  68           HA       ARG  68   5.574   1.841   9.048
  491   1HB   ARG  68          HB2       ARG  68   7.076   1.302  11.381
  492   2HB   ARG  68          HB3       ARG  68   6.901   3.063  11.367
  493   1HG   ARG  68          HG2       ARG  68   5.023   2.359  12.547
  494   2HG   ARG  68          HG3       ARG  68   4.408   2.642  10.916
  495   1HD   ARG  68          HD2       ARG  68   5.066   0.006  10.694
  496   2HD   ARG  68          HD3       ARG  68   4.849   0.064  12.441
  497    HE   ARG  68           HE       ARG  68   2.699   1.310  10.867
  498   1HH1  ARG  68          HH22      ARG  68   3.543  -2.017  12.206
  499   2HH1  ARG  68          HH21      ARG  68   1.844  -2.236  12.529
  500   1HH2  ARG  68          HH11      ARG  68   0.476   0.544  11.133
  501   2HH2  ARG  68          HH12      ARG  68   0.342  -0.974  11.990
  502    H    GLU  69           H        GLU  69   8.676   3.549   9.899
  503    HA   GLU  69           HA       GLU  69   8.097   6.069   9.001
  504   1HB   GLU  69          HB2       GLU  69  10.283   4.872  10.032
  505   2HB   GLU  69          HB3       GLU  69  10.818   4.948   8.356
  506   1HG   GLU  69          HG2       GLU  69  11.581   6.905   9.610
  507   2HG   GLU  69          HG3       GLU  69  10.395   7.428   8.403
  508    H    LEU  70           H        LEU  70   9.463   3.446   6.978
  509    HA   LEU  70           HA       LEU  70   9.481   4.794   4.561
  510   1HB   LEU  70          HB2       LEU  70   9.307   1.913   5.404
  511   2HB   LEU  70          HB3       LEU  70   8.711   2.183   3.842
  512    HG   LEU  70           HG       LEU  70  10.894   1.619   3.442
  513   1HD1  LEU  70          HD11      LEU  70  11.802   3.414   2.261
  514   2HD1  LEU  70          HD12      LEU  70  10.094   3.893   2.430
  515   3HD1  LEU  70          HD13      LEU  70  11.328   4.611   3.478
  516   1HD2  LEU  70          HD21      LEU  70  11.766   3.483   5.681
  517   2HD2  LEU  70          HD22      LEU  70  11.782   1.702   5.681
  518   3HD2  LEU  70          HD23      LEU  70  12.862   2.595   4.597
  519    H    SER  71           H        SER  71   6.716   3.082   6.028
  520    HA   SER  71           HA       SER  71   5.009   3.462   3.739
  521   1HB   SER  71          HB2       SER  71   3.320   2.507   5.045
  522   2HB   SER  71          HB3       SER  71   4.763   1.812   5.759
  523    HG   SER  71           HG       SER  71   4.647   3.528   7.336
  524    H    LYS  72           H        LYS  72   5.927   5.559   6.412
  525    HA   LYS  72           HA       LYS  72   3.777   7.465   6.056
  526   1HB   LYS  72          HB2       LYS  72   6.629   8.204   6.835
  527   2HB   LYS  72          HB3       LYS  72   5.141   9.094   7.137
  528   1HG   LYS  72          HG2       LYS  72   4.352   7.228   8.578
  529   2HG   LYS  72          HG3       LYS  72   5.899   6.409   8.337
  530   1HD   LYS  72          HD2       LYS  72   7.078   8.475   9.121
  531   2HD   LYS  72          HD3       LYS  72   5.523   9.168   9.607
  532   1HE   LYS  72          HE2       LYS  72   5.219   7.455  11.323
  533   2HE   LYS  72          HE3       LYS  72   6.525   6.476  10.639
  534   1HZ   LYS  72          HZ1       LYS  72   7.865   7.421  12.014
  535   2HZ   LYS  72          HZ2       LYS  72   7.831   8.704  11.136
  536   3HZ   LYS  72          HZ3       LYS  72   6.820   8.663  12.465
  537    H    THR  73           H        THR  73   7.067   7.243   4.756
  538    HA   THR  73           HA       THR  73   6.662   9.524   3.023
  539    HB   THR  73           HB       THR  73   8.912   8.824   3.809
  540    HG1  THR  73           HG1      THR  73   8.278   9.339   1.103
  541   1HG2  THR  73          HG21      THR  73   9.047   6.504   3.322
  542   2HG2  THR  73          HG22      THR  73   8.717   6.745   1.592
  543   3HG2  THR  73          HG23      THR  73  10.224   7.342   2.316
  544    H    PHE  74           H        PHE  74   5.652   6.244   2.654
  545    HA   PHE  74           HA       PHE  74   5.243   6.503  -0.264
  546   1HB   PHE  74          HB2       PHE  74   4.147   4.467   1.667
  547   2HB   PHE  74          HB3       PHE  74   4.137   4.369  -0.086
  548    HD1  PHE  74           HD1      PHE  74   4.973   2.160   1.459
  549    HD2  PHE  74           HD2      PHE  74   7.286   5.449  -0.053
  550    HE1  PHE  74           HE1      PHE  74   6.984   0.706   1.365
  551    HE2  PHE  74           HE2      PHE  74   9.323   4.043   0.012
  552    HZ   PHE  74           HZ       PHE  74   9.186   1.698   0.872
  553    H    ILE  75           H        ILE  75   3.532   7.546   2.588
  554    HA   ILE  75           HA       ILE  75   0.895   7.267   1.641
  555    HB   ILE  75           HB       ILE  75   2.106   9.411   3.379
  556   1HG1  ILE  75          HG12      ILE  75  -0.109   7.371   3.916
  557   2HG1  ILE  75          HG13      ILE  75   1.592   6.960   4.002
  558   1HG2  ILE  75          HG21      ILE  75   0.293  10.601   2.226
  559   2HG2  ILE  75          HG22      ILE  75  -0.816   9.238   2.512
  560   3HG2  ILE  75          HG23      ILE  75  -0.213  10.218   3.860
  561   1HD1  ILE  75          HD11      ILE  75   0.871   7.489   6.246
  562   2HD1  ILE  75          HD12      ILE  75   1.894   8.834   5.703
  563   3HD1  ILE  75          HD13      ILE  75   0.126   9.007   5.724
  564    H    ILE  76           H        ILE  76  -0.300   8.096   0.107
  565    HA   ILE  76           HA       ILE  76   0.693  10.418  -1.544
  566    HB   ILE  76           HB       ILE  76  -0.454   9.116  -3.437
  567   1HG1  ILE  76          HG12      ILE  76   0.061   6.676  -1.720
  568   2HG1  ILE  76          HG13      ILE  76  -1.500   7.500  -1.600
  569   1HG2  ILE  76          HG21      ILE  76   1.970   9.383  -3.271
  570   2HG2  ILE  76          HG22      ILE  76   2.080   7.947  -2.243
  571   3HG2  ILE  76          HG23      ILE  76   1.538   7.800  -3.924
  572   1HD1  ILE  76          HD11      ILE  76  -2.239   6.822  -3.602
  573   2HD1  ILE  76          HD12      ILE  76  -0.627   6.854  -4.354
  574   3HD1  ILE  76          HD13      ILE  76  -1.113   5.504  -3.291
  575    H    GLY  77           H        GLY  77  -1.891   9.269   0.412
  576   1HA   GLY  77          HA1       GLY  77  -4.074  10.989  -0.590
  577   2HA   GLY  77          HA2       GLY  77  -3.998   9.383  -1.308
  578    H    GLU  78           H        GLU  78  -6.183   9.725   0.034
  579    HA   GLU  78           HA       GLU  78  -5.779   7.856   2.212
  580   1HB   GLU  78          HB2       GLU  78  -7.643  10.242   2.498
  581   2HB   GLU  78          HB3       GLU  78  -7.215   9.055   3.743
  582   1HG   GLU  78          HG2       GLU  78  -4.803  10.070   3.526
  583   2HG   GLU  78          HG3       GLU  78  -5.562  11.343   2.579
  584    H    LEU  79           H        LEU  79  -7.769   6.718   2.640
  585    HA   LEU  79           HA       LEU  79  -9.235   6.204   0.124
  586   1HB   LEU  79          HB2       LEU  79  -8.339   4.333   1.090
  587   2HB   LEU  79          HB3       LEU  79  -8.730   4.792   2.731
  588    HG   LEU  79           HG       LEU  79  -9.929   2.851   1.651
  589   1HD1  LEU  79          HD11      LEU  79 -10.473   4.017   3.814
  590   2HD1  LEU  79          HD12      LEU  79 -11.830   4.785   2.938
  591   3HD1  LEU  79          HD13      LEU  79 -11.706   3.014   3.072
  592   1HD2  LEU  79          HD21      LEU  79 -10.674   3.926  -0.461
  593   2HD2  LEU  79          HD22      LEU  79 -11.944   3.108   0.460
  594   3HD2  LEU  79          HD23      LEU  79 -11.856   4.863   0.482
  595    H    HIS  80           H        HIS  80 -11.023   7.199  -0.313
  596    HA   HIS  80           HA       HIS  80 -11.900   9.138   1.209
  597   1HB   HIS  80          HB2       HIS  80 -12.319   8.832  -1.173
  598   2HB   HIS  80          HB3       HIS  80 -13.633   7.734  -0.831
  599    HD1  HIS  80           HD1      HIS  80 -15.954   9.133  -0.525
  600    HD2  HIS  80           HD2      HIS  80 -12.381  11.286  -0.091
  601    HE1  HIS  80           HE1      HIS  80 -16.627  11.565  -0.057
  602    HA   PRO  81           HA       PRO  81 -14.391   7.321   4.217
  603   1HB   PRO  81          HB2       PRO  81 -15.832  10.013   4.580
  604   2HB   PRO  81          HB3       PRO  81 -14.966   9.117   5.811
  605   1HG   PRO  81          HG2       PRO  81 -13.919  11.410   4.582
  606   2HG   PRO  81          HG3       PRO  81 -12.818  10.012   4.835
  607   1HD   PRO  81          HD2       PRO  81 -14.481  10.684   2.410
  608   2HD   PRO  81          HD3       PRO  81 -12.726  10.446   2.530
  609    H    ASP  82           H        ASP  82 -16.172   9.319   1.973
  610    HA   ASP  82           HA       ASP  82 -18.721   8.400   2.860
  611   1HB   ASP  82          HB2       ASP  82 -18.390  10.389   1.356
  612   2HB   ASP  82          HB3       ASP  82 -17.930   9.289   0.032
  613    H    ASP  83           H        ASP  83 -16.166   7.152   1.001
  614    HA   ASP  83           HA       ASP  83 -17.250   4.777  -0.179
  615   1HB   ASP  83          HB2       ASP  83 -14.714   6.230   0.232
  616   2HB   ASP  83          HB3       ASP  83 -14.427   4.544   0.359
  617    H    ARG  84           H        ARG  84 -14.944   5.193   2.656
  618    HA   ARG  84           HA       ARG  84 -16.203   2.929   4.044
  619   1HB   ARG  84          HB2       ARG  84 -15.207   1.899   2.111
  620   2HB   ARG  84          HB3       ARG  84 -13.720   2.786   2.312
  621   1HG   ARG  84          HG2       ARG  84 -13.475   0.445   2.881
  622   2HG   ARG  84          HG3       ARG  84 -13.112   1.461   4.272
  623   1HD   ARG  84          HD2       ARG  84 -15.950   0.500   4.065
  624   2HD   ARG  84          HD3       ARG  84 -14.707  -0.752   4.296
  625    HE   ARG  84           HE       ARG  84 -14.584   1.624   6.057
  626   1HH1  ARG  84          HH22      ARG  84 -16.198  -1.435   5.765
  627   2HH1  ARG  84          HH21      ARG  84 -15.964  -1.962   7.409
  628   1HH2  ARG  84          HH11      ARG  84 -13.833   0.767   8.215
  629   2HH2  ARG  84          HH12      ARG  84 -14.787  -0.513   8.888
  630    HHA  HEM 201           HGM      HEM 201   9.416  -8.658   5.913
  631    HHB  HEM 201           HDM      HEM 201   9.200  -2.340   4.639
  632    HHC  HEM 201           HAM      HEM 201   3.049  -2.910   2.917
  633    HHD  HEM 201           HBM      HEM 201   3.368  -9.300   3.772
  634   1HMA  HEM 201          HM81      HEM 201  11.359  -2.994   4.755
  635   2HMA  HEM 201          HM82      HEM 201  11.392  -3.283   6.509
  636   3HMA  HEM 201          HM83      HEM 201  12.364  -4.275   5.407
  637   1HAA  HEM 201          HP71      HEM 201  11.448  -7.744   6.411
  638   2HAA  HEM 201          HP72      HEM 201  12.249  -6.114   6.610
  639   1HBA  HEM 201          HP73      HEM 201  11.828  -6.950   8.764
  640   2HBA  HEM 201          HP74      HEM 201  10.089  -7.327   8.356
  641   1HMB  HEM 201          HM11      HEM 201   6.886   0.561   3.723
  642   2HMB  HEM 201          HM12      HEM 201   8.007  -0.242   4.801
  643   3HMB  HEM 201          HM13      HEM 201   8.316  -0.265   3.061
  644    HAB  HEM 201          HT2A      HEM 201   4.060  -1.221   1.725
  645   1HBB  HEM 201          HV2C      HEM 201   4.726   1.028   3.434
  646   2HBB  HEM 201          HV2T      HEM 201   2.995   0.464   2.930
  647   1HMC  HEM 201          HM31      HEM 201   0.521  -4.123   3.551
  648   2HMC  HEM 201          HM32      HEM 201   1.242  -3.907   1.947
  649   3HMC  HEM 201          HM33      HEM 201   0.208  -5.307   2.245
  650    HAC  HEM 201          HT4A      HEM 201   0.376  -7.785   3.929
  651   1HBC  HEM 201          HV4C      HEM 201   1.399  -8.142   1.071
  652   2HBC  HEM 201          HV4T      HEM 201  -0.309  -8.517   1.719
  653   1HMD  HEM 201          HM51      HEM 201   5.483 -12.113   5.270
  654   2HMD  HEM 201          HM52      HEM 201   4.008 -11.167   5.098
  655   3HMD  HEM 201          HM53      HEM 201   4.909 -11.668   3.647
  656   1HAD  HEM 201          HP61      HEM 201   7.724 -11.967   4.871
  657   2HAD  HEM 201          HP62      HEM 201   9.077 -10.755   4.992
  658   1HBD  HEM 201          HP63      HEM 201   8.549 -10.486   7.408
  659   2HBD  HEM 201          HP64      HEM 201   7.310 -11.830   7.235
  Start of MODEL   30
    1   1H    ALA   3          H1        ALA   3  -2.875  20.100   1.035
    2   2H    ALA   3          H2        ALA   3  -4.378  20.405   0.481
    3   3H    ALA   3          H3        ALA   3  -3.613  21.559   1.406
    4    HA   ALA   3           HA       ALA   3  -3.691  20.212   3.319
    5   1HB   ALA   3          HB1       ALA   3  -5.883  21.301   2.712
    6   2HB   ALA   3          HB2       ALA   3  -6.353  19.818   1.856
    7   3HB   ALA   3          HB3       ALA   3  -6.094  19.799   3.616
    8    H    VAL   4           H        VAL   4  -5.566  17.826   3.384
    9    HA   VAL   4           HA       VAL   4  -3.972  15.687   2.212
   10    HB   VAL   4           HB       VAL   4  -5.974  14.353   2.666
   11   1HG1  VAL   4          HG11      VAL   4  -5.143  15.974   5.073
   12   2HG1  VAL   4          HG12      VAL   4  -5.855  14.340   5.054
   13   3HG1  VAL   4          HG13      VAL   4  -4.258  14.602   4.355
   14   1HG2  VAL   4          HG21      VAL   4  -7.778  15.891   2.296
   15   2HG2  VAL   4          HG22      VAL   4  -7.881  15.260   3.932
   16   3HG2  VAL   4          HG23      VAL   4  -7.286  16.901   3.680
   17    H    LYS   5           H        LYS   5  -5.553  14.171   0.628
   18    HA   LYS   5           HA       LYS   5  -6.411  16.006  -1.605
   19   1HB   LYS   5          HB2       LYS   5  -4.087  15.005  -1.841
   20   2HB   LYS   5          HB3       LYS   5  -4.852  13.424  -1.965
   21   1HG   LYS   5          HG2       LYS   5  -5.347  15.831  -3.805
   22   2HG   LYS   5          HG3       LYS   5  -4.270  14.464  -4.148
   23   1HD   LYS   5          HD2       LYS   5  -6.212  12.915  -3.929
   24   2HD   LYS   5          HD3       LYS   5  -7.287  14.325  -3.787
   25   1HE   LYS   5          HE2       LYS   5  -6.734  15.111  -5.988
   26   2HE   LYS   5          HE3       LYS   5  -5.623  13.757  -6.239
   27   1HZ   LYS   5          HZ1       LYS   5  -7.502  12.267  -5.923
   28   2HZ   LYS   5          HZ2       LYS   5  -8.515  13.519  -5.671
   29   3HZ   LYS   5          HZ3       LYS   5  -7.822  13.314  -7.157
   30    H    TYR   6           H        TYR   6  -6.428  12.723  -0.227
   31    HA   TYR   6           HA       TYR   6  -7.740  11.067  -0.278
   32   1HB   TYR   6          HB2       TYR   6 -10.223  12.885  -0.488
   33   2HB   TYR   6          HB3       TYR   6 -10.055  11.198  -0.217
   34    HD1  TYR   6           HD1      TYR   6 -11.123  10.991   1.651
   35    HD2  TYR   6           HD2      TYR   6  -7.883  13.705   1.591
   36    HE1  TYR   6           HE1      TYR   6 -10.147   9.976   3.686
   37    HE2  TYR   6           HE2      TYR   6  -7.395  13.138   3.940
   38    HH   TYR   6           HH       TYR   6  -7.866  11.833   5.742
   39    H    TYR   7           H        TYR   7  -8.555   9.570  -1.285
   40    HA   TYR   7           HA       TYR   7  -8.692   9.507  -4.215
   41   1HB   TYR   7          HB2       TYR   7  -6.852   8.632  -2.032
   42   2HB   TYR   7          HB3       TYR   7  -7.253   7.359  -2.980
   43    HD1  TYR   7           HD1      TYR   7  -4.606   7.638  -2.880
   44    HD2  TYR   7           HD2      TYR   7  -7.067  10.381  -5.121
   45    HE1  TYR   7           HE1      TYR   7  -2.609   8.870  -3.611
   46    HE2  TYR   7           HE2      TYR   7  -5.055  11.595  -5.823
   47    HH   TYR   7           HH       TYR   7  -2.063  11.123  -4.109
   48    H    THR   8           H        THR   8 -10.061   8.109  -5.017
   49    HA   THR   8           HA       THR   8 -12.130   7.168  -3.195
   50    HB   THR   8           HB       THR   8 -13.283   6.790  -5.468
   51    HG1  THR   8           HG1      THR   8 -12.160   7.797  -7.209
   52   1HG2  THR   8          HG21      THR   8 -13.584   9.222  -5.856
   53   2HG2  THR   8          HG22      THR   8 -13.624   8.851  -4.124
   54   3HG2  THR   8          HG23      THR   8 -12.172   9.577  -4.839
   55    H    LEU   9           H        LEU   9 -12.939   4.968  -3.159
   56    HA   LEU   9           HA       LEU   9 -11.059   2.895  -3.373
   57   1HB   LEU   9          HB2       LEU   9 -12.693   2.425  -2.050
   58   2HB   LEU   9          HB3       LEU   9 -14.012   3.047  -3.037
   59    HG   LEU   9           HG       LEU   9 -12.464   0.513  -3.779
   60   1HD1  LEU   9          HD11      LEU   9 -14.126  -0.808  -2.552
   61   2HD1  LEU   9          HD12      LEU   9 -13.218   0.241  -1.454
   62   3HD1  LEU   9          HD13      LEU   9 -14.872   0.681  -1.931
   63   1HD2  LEU   9          HD21      LEU   9 -15.334   1.435  -4.327
   64   2HD2  LEU   9          HD22      LEU   9 -14.040   1.322  -5.536
   65   3HD2  LEU   9          HD23      LEU   9 -14.664  -0.141  -4.790
   66    H    GLU  10           H        GLU  10 -13.344   4.080  -5.812
   67    HA   GLU  10           HA       GLU  10 -12.923   2.493  -8.016
   68   1HB   GLU  10          HB2       GLU  10 -14.272   4.543  -7.986
   69   2HB   GLU  10          HB3       GLU  10 -12.839   5.544  -7.784
   70   1HG   GLU  10          HG2       GLU  10 -13.614   5.675 -10.069
   71   2HG   GLU  10          HG3       GLU  10 -12.039   4.881 -10.043
   72    H    GLU  11           H        GLU  11 -10.804   5.237  -7.086
   73    HA   GLU  11           HA       GLU  11  -8.793   4.634  -9.030
   74   1HB   GLU  11          HB2       GLU  11  -8.812   6.296  -6.448
   75   2HB   GLU  11          HB3       GLU  11  -7.343   5.994  -7.370
   76   1HG   GLU  11          HG2       GLU  11  -9.774   7.306  -8.616
   77   2HG   GLU  11          HG3       GLU  11  -8.464   8.195  -7.808
   78    H    ILE  12           H        ILE  12  -9.098   3.975  -5.558
   79    HA   ILE  12           HA       ILE  12  -6.478   3.061  -5.331
   80    HB   ILE  12           HB       ILE  12  -8.919   2.411  -3.620
   81   1HG1  ILE  12          HG12      ILE  12  -6.645   4.287  -2.882
   82   2HG1  ILE  12          HG13      ILE  12  -7.938   4.894  -3.908
   83   1HG2  ILE  12          HG21      ILE  12  -5.979   1.922  -3.092
   84   2HG2  ILE  12          HG22      ILE  12  -7.218   1.942  -1.822
   85   3HG2  ILE  12          HG23      ILE  12  -7.322   0.739  -3.108
   86   1HD1  ILE  12          HD11      ILE  12  -8.302   3.747  -1.109
   87   2HD1  ILE  12          HD12      ILE  12  -8.383   5.441  -1.607
   88   3HD1  ILE  12          HD13      ILE  12  -9.609   4.298  -2.172
   89    H    GLN  13           H        GLU  13  -9.455   1.212  -6.053
   90    HA   GLN  13           HA       GLU  13  -8.126  -1.346  -5.985
   91   1HB   GLN  13          HB2       GLU  13 -10.665  -0.325  -7.367
   92   2HB   GLN  13          HB3       GLU  13 -10.074  -1.975  -7.572
   93   1HG   GLN  13          HG2       GLU  13 -10.177  -2.314  -5.099
   94   2HG   GLN  13          HG3       GLU  13 -10.784  -0.663  -4.907
   95    H    LYS  14           H        LYS  14  -8.854   1.037  -8.492
   96    HA   LYS  14           HA       LYS  14  -7.950  -0.358 -10.756
   97   1HB   LYS  14          HB2       LYS  14  -9.316   1.482 -11.022
   98   2HB   LYS  14          HB3       LYS  14  -8.438   2.493  -9.942
   99   1HG   LYS  14          HG2       LYS  14  -7.114   1.823 -12.565
  100   2HG   LYS  14          HG3       LYS  14  -8.424   3.015 -12.444
  101   1HD   LYS  14          HD2       LYS  14  -7.176   4.111 -10.527
  102   2HD   LYS  14          HD3       LYS  14  -5.762   3.147 -10.972
  103   1HE   LYS  14          HE2       LYS  14  -5.499   4.358 -13.007
  104   2HE   LYS  14          HE3       LYS  14  -7.191   4.903 -13.005
  105   1HZ   LYS  14          HZ1       LYS  14  -5.222   5.872 -11.021
  106   2HZ   LYS  14          HZ2       LYS  14  -5.688   6.687 -12.375
  107   3HZ   LYS  14          HZ3       LYS  14  -6.771   6.341 -11.217
  108    H    HIS  15           H        HIS  15  -6.230   1.565  -8.356
  109    HA   HIS  15           HA       HIS  15  -3.586   1.212  -9.601
  110   1HB   HIS  15          HB2       HIS  15  -4.683   2.620  -7.147
  111   2HB   HIS  15          HB3       HIS  15  -2.956   2.259  -7.379
  112    HD1  HIS  15           HD1      HIS  15  -1.650   3.382  -9.178
  113    HD2  HIS  15           HD2      HIS  15  -5.594   4.706  -8.752
  114    HE1  HIS  15           HE1      HIS  15  -1.871   5.550 -10.617
  115    H    ASN  16           H        ASN  16  -3.796  -1.169  -9.589
  116    HA   ASN  16           HA       ASN  16  -2.289  -2.099  -7.191
  117   1HB   ASN  16          HB2       ASN  16  -3.498  -4.117  -6.902
  118   2HB   ASN  16          HB3       ASN  16  -4.638  -2.768  -6.814
  119   1HD2  ASN  16          HD21      ASN  16  -5.827  -5.048  -7.085
  120   2HD2  ASN  16          HD22      ASN  16  -6.380  -5.330  -8.731
  121    H    ASN  17           H        ASN  17  -1.545  -1.311  -9.915
  122    HA   ASN  17           HA       ASN  17  -0.094  -3.685 -10.791
  123   1HB   ASN  17          HB2       ASN  17  -1.323  -3.906 -12.927
  124   2HB   ASN  17          HB3       ASN  17  -2.385  -4.220 -11.568
  125   1HD2  ASN  17          HD21      ASN  17  -4.124  -2.787 -11.110
  126   2HD2  ASN  17          HD22      ASN  17  -4.467  -1.328 -12.000
  127    H    SER  18           H        SER  18  -0.515  -2.170 -13.588
  128    HA   SER  18           HA       SER  18   2.125  -0.906 -13.362
  129   1HB   SER  18          HB2       SER  18   0.386  -1.260 -15.835
  130   2HB   SER  18          HB3       SER  18   2.143  -1.031 -15.747
  131    HG   SER  18           HG       SER  18   2.181  -3.103 -14.629
  132    H    LYS  19           H        LYS  19  -1.262  -0.161 -13.511
  133    HA   LYS  19           HA       LYS  19  -1.347   2.615 -13.989
  134   1HB   LYS  19          HB2       LYS  19  -2.593   0.751 -11.905
  135   2HB   LYS  19          HB3       LYS  19  -2.981   2.436 -12.011
  136   1HG   LYS  19          HG2       LYS  19  -3.680   0.260 -13.975
  137   2HG   LYS  19          HG3       LYS  19  -4.720   1.327 -13.070
  138   1HD   LYS  19          HD2       LYS  19  -4.925   2.341 -15.080
  139   2HD   LYS  19          HD3       LYS  19  -3.507   3.231 -14.511
  140   1HE   LYS  19          HE2       LYS  19  -2.082   1.458 -15.770
  141   2HE   LYS  19          HE3       LYS  19  -3.595   0.778 -16.367
  142   1HZ   LYS  19          HZ1       LYS  19  -2.596   2.254 -17.942
  143   2HZ   LYS  19          HZ2       LYS  19  -4.032   2.882 -17.450
  144   3HZ   LYS  19          HZ3       LYS  19  -2.615   3.509 -16.884
  145    H    SER  20           H        SER  20   0.198   0.825 -11.409
  146    HA   SER  20           HA       SER  20   1.943   1.637 -10.107
  147   1HB   SER  20          HB2       SER  20   0.358   4.197  -9.615
  148   2HB   SER  20          HB3       SER  20   1.917   3.747  -8.924
  149    HG   SER  20           HG       SER  20   1.310   4.246 -11.638
  150    H    THR  21           H        THR  21   1.888   0.980  -7.970
  151    HA   THR  21           HA       THR  21  -0.610  -0.435  -7.331
  152    HB   THR  21           HB       THR  21   2.304  -0.655  -6.479
  153    HG1  THR  21           HG1      THR  21   1.507  -1.244  -8.667
  154   1HG2  THR  21          HG21      THR  21   1.719  -2.794  -5.450
  155   2HG2  THR  21          HG22      THR  21   0.761  -1.541  -4.654
  156   3HG2  THR  21          HG23      THR  21   0.038  -2.582  -5.922
  157    H    TRP  22           H        TRP  22  -1.990   0.409  -5.837
  158    HA   TRP  22           HA       TRP  22  -1.026   2.319  -3.782
  159   1HB   TRP  22          HB2       TRP  22  -3.615   1.998  -5.262
  160   2HB   TRP  22          HB3       TRP  22  -3.602   2.801  -3.767
  161    HD1  TRP  22           HD1      TRP  22  -0.473   3.584  -5.646
  162    HE1  TRP  22           HE1      TRP  22  -0.591   5.784  -6.891
  163    HE3  TRP  22           HE3      TRP  22  -5.332   4.751  -4.689
  164    HZ2  TRP  22           HZ2      TRP  22  -2.619   7.762  -7.560
  165    HZ3  TRP  22           HZ3      TRP  22  -6.328   6.809  -5.610
  166    HH2  TRP  22           HH2      TRP  22  -5.037   8.243  -7.170
  167    H    LEU  23           H        LEU  23  -1.954   1.982  -1.586
  168    HA   LEU  23           HA       LEU  23  -3.818  -0.237  -1.195
  169   1HB   LEU  23          HB2       LEU  23  -2.135  -0.742   0.957
  170   2HB   LEU  23          HB3       LEU  23  -2.386  -1.757  -0.371
  171    HG   LEU  23           HG       LEU  23  -0.329  -0.080  -1.270
  172   1HD1  LEU  23          HD11      LEU  23   1.282  -0.205   0.468
  173   2HD1  LEU  23          HD12      LEU  23  -0.167   0.353   1.302
  174   3HD1  LEU  23          HD13      LEU  23   0.300  -1.358   1.411
  175   1HD2  LEU  23          HD21      LEU  23  -0.338  -2.954  -0.269
  176   2HD2  LEU  23          HD22      LEU  23  -0.710  -2.392  -1.918
  177   3HD2  LEU  23          HD23      LEU  23   0.904  -2.185  -1.273
  178    H    ILE  24           H        ILE  24  -4.747  -0.213   0.956
  179    HA   ILE  24           HA       ILE  24  -4.435   2.421   2.304
  180    HB   ILE  24           HB       ILE  24  -6.813   0.654   2.899
  181   1HG1  ILE  24          HG12      ILE  24  -7.113   2.599   0.625
  182   2HG1  ILE  24          HG13      ILE  24  -6.657   0.921   0.281
  183   1HG2  ILE  24          HG21      ILE  24  -6.316   2.651   4.203
  184   2HG2  ILE  24          HG22      ILE  24  -6.488   3.644   2.742
  185   3HG2  ILE  24          HG23      ILE  24  -7.879   2.747   3.396
  186   1HD1  ILE  24          HD11      ILE  24  -8.594   0.002   1.160
  187   2HD1  ILE  24          HD12      ILE  24  -9.093   1.491   1.952
  188   3HD1  ILE  24          HD13      ILE  24  -9.118   1.365   0.175
  189    H    LEU  25           H        LEU  25  -3.637   2.508   4.205
  190    HA   LEU  25           HA       LEU  25  -3.520   0.085   5.955
  191   1HB   LEU  25          HB2       LEU  25  -1.270   1.717   4.872
  192   2HB   LEU  25          HB3       LEU  25  -1.194   1.232   6.561
  193    HG   LEU  25           HG       LEU  25  -1.265  -1.075   6.010
  194   1HD1  LEU  25          HD11      LEU  25  -0.918  -1.755   3.528
  195   2HD1  LEU  25          HD12      LEU  25  -2.532  -1.517   4.164
  196   3HD1  LEU  25          HD13      LEU  25  -1.763  -0.234   3.171
  197   1HD2  LEU  25          HD21      LEU  25   0.930   0.193   5.871
  198   2HD2  LEU  25          HD22      LEU  25   0.902  -1.270   4.855
  199   3HD2  LEU  25          HD23      LEU  25   0.671   0.334   4.125
  200    H    HIS  26           H        HIS  26  -5.087   0.905   7.349
  201    HA   HIS  26           HA       HIS  26  -5.952   2.184   9.027
  202   1HB   HIS  26          HB2       HIS  26  -3.431   3.874   9.129
  203   2HB   HIS  26          HB3       HIS  26  -4.559   3.497  10.414
  204    HD1  HIS  26           HD1      HIS  26  -4.239   0.989  11.535
  205    HD2  HIS  26           HD2      HIS  26  -1.314   2.351   8.838
  206    HE1  HIS  26           HE1      HIS  26  -2.168  -0.414  11.947
  207    H    TYR  27           H        TYR  27  -6.943   2.812   6.663
  208    HA   TYR  27           HA       TYR  27  -8.102   4.303   5.451
  209   1HB   TYR  27          HB2       TYR  27  -7.684   6.074   7.865
  210   2HB   TYR  27          HB3       TYR  27  -8.250   6.738   6.346
  211    HD1  TYR  27           HD1      TYR  27 -10.375   6.425   5.422
  212    HD2  TYR  27           HD2      TYR  27  -9.258   4.594   9.160
  213    HE1  TYR  27           HE1      TYR  27 -12.649   6.769   6.260
  214    HE2  TYR  27           HE2      TYR  27 -11.578   4.880   9.981
  215    HH   TYR  27           HH       TYR  27 -13.488   7.277   8.521
  216    H    LYS  28           H        LYS  28  -4.934   5.572   6.506
  217    HA   LYS  28           HA       LYS  28  -4.695   7.442   4.344
  218   1HB   LYS  28          HB2       LYS  28  -2.765   6.020   6.204
  219   2HB   LYS  28          HB3       LYS  28  -2.142   6.862   4.786
  220   1HG   LYS  28          HG2       LYS  28  -3.765   8.136   7.021
  221   2HG   LYS  28          HG3       LYS  28  -2.020   8.262   6.750
  222   1HD   LYS  28          HD2       LYS  28  -3.003   8.991   4.274
  223   2HD   LYS  28          HD3       LYS  28  -4.279   9.589   5.357
  224   1HE   LYS  28          HE2       LYS  28  -2.801  11.125   6.411
  225   2HE   LYS  28          HE3       LYS  28  -1.357  10.284   5.821
  226   1HZ   LYS  28          HZ1       LYS  28  -1.749  12.289   4.567
  227   2HZ   LYS  28          HZ2       LYS  28  -1.901  10.982   3.588
  228   3HZ   LYS  28          HZ3       LYS  28  -3.212  11.792   4.049
  229    H    VAL  29           H        VAL  29  -3.480   7.243   2.383
  230    HA   VAL  29           HA       VAL  29  -3.483   4.495   1.293
  231    HB   VAL  29           HB       VAL  29  -4.396   7.036  -0.044
  232   1HG1  VAL  29          HG11      VAL  29  -4.747   5.543  -2.059
  233   2HG1  VAL  29          HG12      VAL  29  -3.097   6.047  -1.746
  234   3HG1  VAL  29          HG13      VAL  29  -3.607   4.395  -1.344
  235   1HG2  VAL  29          HG21      VAL  29  -6.381   5.770  -0.448
  236   2HG2  VAL  29          HG22      VAL  29  -5.617   4.287   0.164
  237   3HG2  VAL  29          HG23      VAL  29  -6.020   5.615   1.289
  238    H    TYR  30           H        TYR  30  -1.874   3.863   0.054
  239    HA   TYR  30           HA       TYR  30   0.729   5.321   0.285
  240   1HB   TYR  30          HB2       TYR  30  -0.287   2.537   0.934
  241   2HB   TYR  30          HB3       TYR  30   1.410   2.853   0.878
  242    HD1  TYR  30           HD1      TYR  30   2.300   4.750   2.504
  243    HD2  TYR  30           HD2      TYR  30  -1.694   3.172   2.735
  244    HE1  TYR  30           HE1      TYR  30   2.018   5.726   4.789
  245    HE2  TYR  30           HE2      TYR  30  -1.949   4.185   4.969
  246    HH   TYR  30           HH       TYR  30   0.701   5.915   6.621
  247    H    ASP  31           H        ASP  31   1.861   5.343  -1.663
  248    HA   ASP  31           HA       ASP  31   1.192   3.511  -3.890
  249   1HB   ASP  31          HB2       ASP  31   2.096   5.611  -4.598
  250   2HB   ASP  31          HB3       ASP  31   3.440   5.496  -3.440
  251    H    LEU  32           H        LEU  32   2.962   1.994  -4.537
  252    HA   LEU  32           HA       LEU  32   5.227   1.639  -2.745
  253   1HB   LEU  32          HB2       LEU  32   3.485  -0.802  -3.249
  254   2HB   LEU  32          HB3       LEU  32   5.085  -0.818  -2.542
  255    HG   LEU  32           HG       LEU  32   2.566   0.265  -1.351
  256   1HD1  LEU  32          HD11      LEU  32   4.494  -1.940  -0.449
  257   2HD1  LEU  32          HD12      LEU  32   2.944  -1.586   0.290
  258   3HD1  LEU  32          HD13      LEU  32   3.006  -2.229  -1.374
  259   1HD2  LEU  32          HD21      LEU  32   3.485   0.984   0.547
  260   2HD2  LEU  32          HD22      LEU  32   4.972   0.019   0.432
  261   3HD2  LEU  32          HD23      LEU  32   4.821   1.469  -0.546
  262    H    THR  33           H        THR  33   4.226   1.947  -5.755
  263    HA   THR  33           HA       THR  33   4.945  -0.308  -7.214
  264    HB   THR  33           HB       THR  33   5.361   2.575  -8.165
  265    HG1  THR  33           HG1      THR  33   3.358   2.491  -7.244
  266   1HG2  THR  33          HG21      THR  33   6.039   0.828  -9.809
  267   2HG2  THR  33          HG22      THR  33   4.456   0.041  -9.621
  268   3HG2  THR  33          HG23      THR  33   4.567   1.666 -10.331
  269    H    LYS  34           H        LYS  34   7.296   2.265  -6.257
  270    HA   LYS  34           HA       LYS  34   9.509   0.854  -7.551
  271   1HB   LYS  34          HB2       LYS  34   9.789   3.193  -7.024
  272   2HB   LYS  34          HB3       LYS  34   9.426   2.915  -5.307
  273   1HG   LYS  34          HG2       LYS  34  11.441   1.545  -5.049
  274   2HG   LYS  34          HG3       LYS  34  11.780   1.647  -6.779
  275   1HD   LYS  34          HD2       LYS  34  12.276   3.984  -6.646
  276   2HD   LYS  34          HD3       LYS  34  11.647   4.127  -4.995
  277   1HE   LYS  34          HE2       LYS  34  13.982   2.300  -5.747
  278   2HE   LYS  34          HE3       LYS  34  14.224   3.978  -5.239
  279   1HZ   LYS  34          HZ1       LYS  34  12.833   1.964  -3.558
  280   2HZ   LYS  34          HZ2       LYS  34  14.377   2.193  -3.456
  281   3HZ   LYS  34          HZ3       LYS  34  13.363   3.453  -3.092
  282    H    PHE  35           H        PHE  35   7.865   0.663  -4.409
  283    HA   PHE  35           HA       PHE  35  10.155  -0.514  -3.074
  284   1HB   PHE  35          HB2       PHE  35   8.406   0.943  -1.929
  285   2HB   PHE  35          HB3       PHE  35   7.239  -0.373  -2.151
  286    HD1  PHE  35           HD1      PHE  35  10.808  -0.064  -0.888
  287    HD2  PHE  35           HD2      PHE  35   6.839  -1.653  -0.278
  288    HE1  PHE  35           HE1      PHE  35  11.578  -1.219   1.159
  289    HE2  PHE  35           HE2      PHE  35   7.592  -2.761   1.749
  290    HZ   PHE  35           HZ       PHE  35   9.986  -2.583   2.495
  291    H    LEU  36           H        LEU  36   7.314  -1.646  -4.761
  292    HA   LEU  36           HA       LEU  36   7.213  -4.374  -4.378
  293   1HB   LEU  36          HB2       LEU  36   7.521  -2.829  -6.991
  294   2HB   LEU  36          HB3       LEU  36   6.977  -4.473  -6.898
  295    HG   LEU  36           HG       LEU  36   5.468  -2.071  -5.914
  296   1HD1  LEU  36          HD11      LEU  36   3.815  -2.915  -7.535
  297   2HD1  LEU  36          HD12      LEU  36   5.379  -2.647  -8.329
  298   3HD1  LEU  36          HD13      LEU  36   4.867  -4.294  -7.907
  299   1HD2  LEU  36          HD21      LEU  36   4.891  -5.004  -5.411
  300   2HD2  LEU  36          HD22      LEU  36   5.106  -3.723  -4.193
  301   3HD2  LEU  36          HD23      LEU  36   3.695  -3.718  -5.244
  302    H    GLU  37           H        GLU  37   9.945  -2.646  -5.959
  303    HA   GLU  37           HA       GLU  37  11.421  -4.969  -6.716
  304   1HB   GLU  37          HB2       GLU  37  12.302  -2.123  -6.038
  305   2HB   GLU  37          HB3       GLU  37  13.307  -3.330  -6.815
  306   1HG   GLU  37          HG2       GLU  37  11.751  -3.412  -8.744
  307   2HG   GLU  37          HG3       GLU  37  10.704  -2.210  -7.970
  308    H    GLU  38           H        GLU  38  11.334  -3.037  -3.736
  309    HA   GLU  38           HA       GLU  38  13.834  -4.246  -2.710
  310   1HB   GLU  38          HB2       GLU  38  12.100  -1.902  -1.859
  311   2HB   GLU  38          HB3       GLU  38  13.614  -2.354  -1.062
  312   1HG   GLU  38          HG2       GLU  38  14.925  -1.834  -2.993
  313   2HG   GLU  38          HG3       GLU  38  13.516  -1.746  -4.050
  314    H    HIS  39           HN       HIS  39  10.394  -4.221  -2.085
  315    HA   HIS  39           HA       HIS  39  10.193  -4.681   0.598
  316   1HB   HIS  39          HB2       HIS  39   8.325  -4.190  -0.893
  317   2HB   HIS  39          HB3       HIS  39   8.500  -5.766  -1.672
  318    HD1  HIS  39           HD1      HIS  39   6.392  -7.087  -0.923
  319    HD2  HIS  39           HD2      HIS  39   8.257  -4.879   2.140
  320    HE1  HIS  39           HE1      HIS  39   5.022  -7.455   1.176
  321    HA   PRO  40           HA       PRO  40  12.152  -8.785   1.018
  322   1HB   PRO  40          HB2       PRO  40  10.605  -8.555   3.614
  323   2HB   PRO  40          HB3       PRO  40  12.232  -9.246   3.349
  324   1HG   PRO  40          HG2       PRO  40  12.034  -6.716   4.279
  325   2HG   PRO  40          HG3       PRO  40  13.150  -7.050   2.924
  326   1HD   PRO  40          HD2       PRO  40  10.354  -5.903   2.789
  327   2HD   PRO  40          HD3       PRO  40  11.847  -5.352   1.968
  328    H    GLY  41           H        GLY  41   8.688  -8.138   1.756
  329   1HA   GLY  41          HA1       GLY  41   7.788 -10.853   1.519
  330   2HA   GLY  41          HA2       GLY  41   6.808  -9.400   1.400
  331    H    GLY  42           H        GLY  42   8.955  -8.695  -0.952
  332   1HA   GLY  42          HA1       GLY  42   8.984  -8.918  -3.249
  333   2HA   GLY  42          HA2       GLY  42   8.072 -10.433  -3.100
  334    H    GLU  43           H        GLU  43   7.397  -9.073  -5.147
  335    HA   GLU  43           HA       GLU  43   5.414  -7.013  -4.653
  336   1HB   GLU  43          HB2       GLU  43   6.710  -6.634  -6.471
  337   2HB   GLU  43          HB3       GLU  43   6.664  -8.235  -7.109
  338   1HG   GLU  43          HG2       GLU  43   4.149  -6.538  -7.081
  339   2HG   GLU  43          HG3       GLU  43   5.334  -6.517  -8.398
  340    H    GLU  44           H        GLU  44   5.040 -10.089  -6.468
  341    HA   GLU  44           HA       GLU  44   2.687 -10.584  -6.700
  342   1HB   GLU  44          HB2       GLU  44   4.461 -12.481  -5.098
  343   2HB   GLU  44          HB3       GLU  44   2.856 -13.008  -5.616
  344   1HG   GLU  44          HG2       GLU  44   4.755 -11.917  -7.700
  345   2HG   GLU  44          HG3       GLU  44   4.982 -13.547  -7.056
  346    H    VAL  45           H        VAL  45   3.451 -11.621  -3.371
  347    HA   VAL  45           HA       VAL  45   0.796 -11.776  -2.535
  348    HB   VAL  45           HB       VAL  45   2.838 -12.810  -1.494
  349   1HG1  VAL  45          HG11      VAL  45   4.189 -11.621   0.104
  350   2HG1  VAL  45          HG12      VAL  45   4.225 -10.702  -1.411
  351   3HG1  VAL  45          HG13      VAL  45   3.220 -10.149  -0.054
  352   1HG2  VAL  45          HG21      VAL  45   0.696 -12.886  -0.304
  353   2HG2  VAL  45          HG22      VAL  45   2.064 -12.752   0.823
  354   3HG2  VAL  45          HG23      VAL  45   1.064 -11.335   0.477
  355    H    LEU  46           H        LEU  46   2.888  -8.966  -2.680
  356    HA   LEU  46           HA       LEU  46   1.308  -7.288  -0.912
  357   1HB   LEU  46          HB2       LEU  46   3.761  -7.126  -1.186
  358   2HB   LEU  46          HB3       LEU  46   3.555  -6.678  -2.878
  359    HG   LEU  46           HG       LEU  46   2.521  -4.595  -2.317
  360   1HD1  LEU  46          HD11      LEU  46   2.807  -5.636   0.524
  361   2HD1  LEU  46          HD12      LEU  46   2.539  -3.920   0.179
  362   3HD1  LEU  46          HD13      LEU  46   1.311  -5.104  -0.278
  363   1HD2  LEU  46          HD21      LEU  46   4.594  -3.639  -1.909
  364   2HD2  LEU  46          HD22      LEU  46   4.896  -4.642  -0.481
  365   3HD2  LEU  46          HD23      LEU  46   5.167  -5.277  -2.116
  366    H    ARG  47           H        ARG  47   1.667  -7.914  -4.378
  367    HA   ARG  47           HA       ARG  47   0.147  -5.671  -5.408
  368   1HB   ARG  47          HB2       ARG  47   1.754  -7.134  -6.779
  369   2HB   ARG  47          HB3       ARG  47   0.635  -8.440  -6.547
  370   1HG   ARG  47          HG2       ARG  47  -1.161  -6.689  -7.580
  371   2HG   ARG  47          HG3       ARG  47   0.294  -5.944  -8.220
  372   1HD   ARG  47          HD2       ARG  47  -0.896  -7.561  -9.734
  373   2HD   ARG  47          HD3       ARG  47   0.806  -7.908  -9.499
  374    HE   ARG  47           HE       ARG  47  -1.506  -9.347  -8.167
  375   1HH1  ARG  47          HH22      ARG  47   2.021  -9.406  -8.979
  376   2HH1  ARG  47          HH21      ARG  47   2.031 -11.150  -8.779
  377   1HH2  ARG  47          HH11      ARG  47  -1.127 -11.565  -7.502
  378   2HH2  ARG  47          HH12      ARG  47   0.466 -12.242  -7.924
  379    H    GLU  48           H        GLU  48  -0.418  -9.051  -4.662
  380    HA   GLU  48           HA       GLU  48  -3.079  -9.395  -5.361
  381   1HB   GLU  48          HB2       GLU  48  -1.114 -10.979  -4.635
  382   2HB   GLU  48          HB3       GLU  48  -1.611 -10.548  -3.008
  383   1HG   GLU  48          HG2       GLU  48  -2.598 -12.734  -3.774
  384   2HG   GLU  48          HG3       GLU  48  -3.934 -11.575  -3.748
  385    H    GLN  49           H        GLN  49  -1.816  -7.649  -2.597
  386    HA   GLN  49           HA       GLN  49  -4.574  -7.391  -1.410
  387   1HB   GLN  49          HB2       GLN  49  -1.803  -6.784  -0.309
  388   2HB   GLN  49          HB3       GLN  49  -3.323  -6.496   0.530
  389   1HG   GLN  49          HG2       GLN  49  -2.257  -9.236  -0.374
  390   2HG   GLN  49          HG3       GLN  49  -2.208  -8.557   1.251
  391   1HE2  GLN  49          HE21      GLN  49  -4.639  -9.511  -1.314
  392   2HE2  GLN  49          HE22      GLN  49  -5.799 -10.035  -0.111
  393    H    ALA  50           H        ALA  50  -2.031  -5.740  -3.029
  394    HA   ALA  50           HA       ALA  50  -2.753  -3.044  -2.529
  395   1HB   ALA  50          HB1       ALA  50  -0.735  -3.768  -3.810
  396   2HB   ALA  50          HB2       ALA  50  -1.795  -4.158  -5.187
  397   3HB   ALA  50          HB3       ALA  50  -1.700  -2.496  -4.601
  398    H    GLY  51           H        GLY  51  -3.885  -1.522  -3.785
  399   1HA   GLY  51          HA1       GLY  51  -5.968  -0.726  -4.138
  400   2HA   GLY  51          HA2       GLY  51  -6.066  -1.832  -5.487
  401    H    GLY  52           H        GLY  52  -5.678  -2.015  -1.894
  402   1HA   GLY  52          HA1       GLY  52  -8.436  -2.286  -1.372
  403   2HA   GLY  52          HA2       GLY  52  -7.587  -3.853  -1.156
  404    H    ASP  53           H        ASP  53  -8.525  -2.858   0.953
  405    HA   ASP  53           HA       ASP  53  -6.533  -1.355   2.498
  406   1HB   ASP  53          HB2       ASP  53  -8.989  -1.166   3.097
  407   2HB   ASP  53          HB3       ASP  53  -8.928  -2.862   3.615
  408    H    ALA  54           H        ALA  54  -4.769  -2.248   3.260
  409    HA   ALA  54           HA       ALA  54  -4.732  -5.233   3.753
  410   1HB   ALA  54          HB1       ALA  54  -2.418  -3.510   2.826
  411   2HB   ALA  54          HB2       ALA  54  -2.475  -5.278   3.028
  412   3HB   ALA  54          HB3       ALA  54  -3.424  -4.497   1.750
  413    H    THR  55           H        THR  55  -5.480  -2.897   5.571
  414    HA   THR  55           HA       THR  55  -3.237  -2.287   7.190
  415    HB   THR  55           HB       THR  55  -6.139  -2.330   8.138
  416    HG1  THR  55           HG1      THR  55  -6.202  -1.155   6.314
  417   1HG2  THR  55          HG21      THR  55  -4.384  -1.833   9.852
  418   2HG2  THR  55          HG22      THR  55  -3.709  -0.600   8.758
  419   3HG2  THR  55          HG23      THR  55  -5.334  -0.385   9.456
  420    H    GLU  56           H        GLU  56  -5.752  -4.837   7.494
  421    HA   GLU  56           HA       GLU  56  -4.949  -5.866  10.009
  422   1HB   GLU  56          HB2       GLU  56  -7.164  -6.234   8.930
  423   2HB   GLU  56          HB3       GLU  56  -6.404  -7.179   7.643
  424   1HG   GLU  56          HG2       GLU  56  -5.669  -8.856   9.318
  425   2HG   GLU  56          HG3       GLU  56  -6.395  -7.879  10.609
  426    H    ASN  57           H        ASN  57  -4.418  -7.038   6.647
  427    HA   ASN  57           HA       ASN  57  -2.611  -9.053   7.181
  428   1HB   ASN  57          HB2       ASN  57  -3.766  -8.392   5.010
  429   2HB   ASN  57          HB3       ASN  57  -2.437  -7.263   4.723
  430   1HD2  ASN  57          HD21      ASN  57  -3.254  -9.664   3.146
  431   2HD2  ASN  57          HD22      ASN  57  -1.866 -10.748   3.208
  432    H    PHE  58           H        PHE  58  -1.853  -5.602   6.632
  433    HA   PHE  58           HA       PHE  58   0.956  -5.736   6.799
  434   1HB   PHE  58          HB2       PHE  58  -0.329  -3.801   6.013
  435   2HB   PHE  58          HB3       PHE  58  -0.980  -3.543   7.623
  436    HD1  PHE  58           HD1      PHE  58  -0.095  -1.650   8.650
  437    HD2  PHE  58           HD2      PHE  58   2.403  -3.945   5.989
  438    HE1  PHE  58           HE1      PHE  58   1.617   0.127   8.704
  439    HE2  PHE  58           HE2      PHE  58   4.177  -2.221   6.177
  440    HZ   PHE  58           HZ       PHE  58   3.840  -0.235   7.619
  441    H    GLU  59           H        GLU  59  -1.416  -5.034   9.457
  442    HA   GLU  59           HA       GLU  59   0.607  -4.812  11.437
  443   1HB   GLU  59          HB2       GLU  59  -1.885  -4.006  11.445
  444   2HB   GLU  59          HB3       GLU  59  -2.278  -5.629  12.007
  445   1HG   GLU  59          HG2       GLU  59  -2.035  -4.244  13.949
  446   2HG   GLU  59          HG3       GLU  59  -0.579  -5.250  13.908
  447    H    ASP  60           H        ASP  60  -1.643  -7.351  10.693
  448    HA   ASP  60           HA       ASP  60  -1.083  -9.532  12.231
  449   1HB   ASP  60          HB2       ASP  60  -2.773  -9.411  10.347
  450   2HB   ASP  60          HB3       ASP  60  -1.444  -9.460   9.210
  451    H    HIS  61           H        HIS  61   0.663  -8.723   9.187
  452    HA   HIS  61           HA       HIS  61   2.850 -10.575   9.767
  453   1HB   HIS  61          HB2       HIS  61   2.350  -8.509   7.612
  454   2HB   HIS  61          HB3       HIS  61   3.799  -9.520   7.673
  455    HD1  HIS  61           HD1      HIS  61   0.368 -11.205   8.378
  456    HD2  HIS  61           HD2      HIS  61   3.310 -10.677   5.398
  457    HE1  HIS  61           HE1      HIS  61  -0.170 -12.824   6.524
  458    H    GLY  62           H        GLY  62   2.393  -8.296  11.760
  459   1HA   GLY  62          HA1       GLY  62   3.783  -7.289  13.216
  460   2HA   GLY  62          HA2       GLY  62   5.182  -7.877  12.310
  461    H    HIS  63           HN       HIS  63   5.526  -6.731  10.173
  462    HA   HIS  63           HA       HIS  63   6.496  -4.869   9.326
  463   1HB   HIS  63          HB2       HIS  63   3.584  -4.127   9.526
  464   2HB   HIS  63          HB3       HIS  63   4.792  -3.103   8.732
  465    HD1  HIS  63           HD1      HIS  63   2.995  -6.404   8.194
  466    HD2  HIS  63           HD2      HIS  63   6.152  -4.128   6.640
  467    HE1  HIS  63           HE1      HIS  63   3.508  -7.368   5.877
  468    H    SER  64           H        SER  64   7.959  -4.434  10.732
  469    HA   SER  64           HA       SER  64   7.803  -3.075  13.157
  470   1HB   SER  64          HB2       SER  64  10.156  -3.297  11.218
  471   2HB   SER  64          HB3       SER  64  10.261  -3.045  12.971
  472    HG   SER  64           HG       SER  64   9.405  -5.329  11.540
  473    H    THR  65           H        THR  65   9.389  -1.131  13.534
  474    HA   THR  65           HA       THR  65   8.217   1.279  12.906
  475    HB   THR  65           HB       THR  65  10.782   2.002  13.378
  476    HG1  THR  65           HG1      THR  65  11.872   0.077  13.049
  477   1HG2  THR  65          HG21      THR  65  10.487   1.492  15.777
  478   2HG2  THR  65          HG22      THR  65   8.984   2.118  15.070
  479   3HG2  THR  65          HG23      THR  65   9.159   0.377  15.394
  480    H    ASP  66           H        ASP  66  11.173  -0.039  11.313
  481    HA   ASP  66           HA       ASP  66  11.472   2.075   9.577
  482   1HB   ASP  66          HB2       ASP  66  12.313  -0.842   9.169
  483   2HB   ASP  66          HB3       ASP  66  13.099   0.595   8.500
  484    H    ALA  67           H        ALA  67   9.452  -0.815   9.110
  485    HA   ALA  67           HA       ALA  67   8.761  -0.349   6.354
  486   1HB   ALA  67          HB1       ALA  67   6.847  -1.800   6.846
  487   2HB   ALA  67          HB2       ALA  67   8.346  -2.534   7.458
  488   3HB   ALA  67          HB3       ALA  67   7.207  -1.765   8.572
  489    H    ARG  68           H        ARG  68   7.336   0.422   9.543
  490    HA   ARG  68           HA       ARG  68   5.176   2.009   8.747
  491   1HB   ARG  68          HB2       ARG  68   6.631   1.398  11.176
  492   2HB   ARG  68          HB3       ARG  68   6.362   3.131  11.150
  493   1HG   ARG  68          HG2       ARG  68   4.466   2.252  12.222
  494   2HG   ARG  68          HG3       ARG  68   3.893   2.446  10.561
  495   1HD   ARG  68          HD2       ARG  68   4.830  -0.077  10.333
  496   2HD   ARG  68          HD3       ARG  68   4.711  -0.057  12.085
  497    HE   ARG  68           HE       ARG  68   2.319   0.914  10.713
  498   1HH1  ARG  68          HH22      ARG  68   3.796  -2.173  11.869
  499   2HH1  ARG  68          HH21      ARG  68   2.252  -2.696  12.540
  500   1HH2  ARG  68          HH11      ARG  68   0.301  -0.078  11.139
  501   2HH2  ARG  68          HH12      ARG  68   0.305  -1.464  12.172
  502    H    GLU  69           H        GLU  69   8.469   3.218   9.528
  503    HA   GLU  69           HA       GLU  69   8.301   5.890   8.765
  504   1HB   GLU  69          HB2       GLU  69  10.588   3.889   8.434
  505   2HB   GLU  69          HB3       GLU  69  10.770   5.611   8.342
  506   1HG   GLU  69          HG2       GLU  69  10.104   3.991  10.806
  507   2HG   GLU  69          HG3       GLU  69  11.499   4.993  10.471
  508    H    LEU  70           H        LEU  70   9.251   3.083   6.757
  509    HA   LEU  70           HA       LEU  70   9.413   4.463   4.382
  510   1HB   LEU  70          HB2       LEU  70   9.142   1.611   5.136
  511   2HB   LEU  70          HB3       LEU  70   8.285   1.900   3.720
  512    HG   LEU  70           HG       LEU  70  10.307   1.319   2.853
  513   1HD1  LEU  70          HD11      LEU  70  11.272   4.153   3.297
  514   2HD1  LEU  70          HD12      LEU  70  11.442   3.116   1.875
  515   3HD1  LEU  70          HD13      LEU  70   9.864   3.843   2.269
  516   1HD2  LEU  70          HD21      LEU  70  12.500   1.750   3.912
  517   2HD2  LEU  70          HD22      LEU  70  11.682   2.640   5.218
  518   3HD2  LEU  70          HD23      LEU  70  11.371   0.904   4.986
  519    H    SER  71           H        SER  71   6.415   3.117   5.843
  520    HA   SER  71           HA       SER  71   4.704   3.717   3.679
  521   1HB   SER  71          HB2       SER  71   3.885   3.962   6.598
  522   2HB   SER  71          HB3       SER  71   2.945   3.374   5.218
  523    HG   SER  71           HG       SER  71   3.583   1.606   6.361
  524    H    LYS  72           H        LYS  72   5.992   5.753   6.288
  525    HA   LYS  72           HA       LYS  72   4.235   8.011   5.882
  526   1HB   LYS  72          HB2       LYS  72   7.178   8.243   6.654
  527   2HB   LYS  72          HB3       LYS  72   5.858   9.364   6.981
  528   1HG   LYS  72          HG2       LYS  72   4.779   7.617   8.392
  529   2HG   LYS  72          HG3       LYS  72   6.177   6.569   8.128
  530   1HD   LYS  72          HD2       LYS  72   7.682   8.340   9.013
  531   2HD   LYS  72          HD3       LYS  72   6.270   9.319   9.461
  532   1HE   LYS  72          HE2       LYS  72   5.552   7.629  11.093
  533   2HE   LYS  72          HE3       LYS  72   6.701   6.457  10.430
  534   1HZ   LYS  72          HZ1       LYS  72   7.845   7.122  12.176
  535   2HZ   LYS  72          HZ2       LYS  72   8.472   8.029  11.075
  536   3HZ   LYS  72          HZ3       LYS  72   7.391   8.747  12.127
  537    H    THR  73           H        THR  73   7.446   7.246   4.556
  538    HA   THR  73           HA       THR  73   7.372   9.553   2.812
  539    HB   THR  73           HB       THR  73   9.489   8.506   3.507
  540    HG1  THR  73           HG1      THR  73   9.209   9.939   1.659
  541   1HG2  THR  73          HG21      THR  73   9.200   6.197   3.165
  542   2HG2  THR  73          HG22      THR  73   8.834   6.388   1.432
  543   3HG2  THR  73          HG23      THR  73  10.457   6.738   2.057
  544    H    PHE  74           H        PHE  74   6.246   6.202   2.352
  545    HA   PHE  74           HA       PHE  74   5.550   6.671  -0.424
  546   1HB   PHE  74          HB2       PHE  74   4.449   4.543   1.418
  547   2HB   PHE  74          HB3       PHE  74   4.483   4.532  -0.339
  548    HD1  PHE  74           HD1      PHE  74   5.472   2.410   1.695
  549    HD2  PHE  74           HD2      PHE  74   7.449   5.408  -0.699
  550    HE1  PHE  74           HE1      PHE  74   7.492   0.954   1.471
  551    HE2  PHE  74           HE2      PHE  74   9.513   4.039  -0.689
  552    HZ   PHE  74           HZ       PHE  74   9.532   1.844   0.561
  553    H    ILE  75           H        ILE  75   4.008   7.915   2.345
  554    HA   ILE  75           HA       ILE  75   1.297   7.671   1.714
  555    HB   ILE  75           HB       ILE  75   2.914   9.891   2.928
  556   1HG1  ILE  75          HG12      ILE  75   2.218   8.012   4.325
  557   2HG1  ILE  75          HG13      ILE  75   1.506   9.552   4.828
  558   1HG2  ILE  75          HG21      ILE  75   0.016  10.310   2.128
  559   2HG2  ILE  75          HG22      ILE  75   0.868  11.242   3.375
  560   3HG2  ILE  75          HG23      ILE  75   1.429  11.299   1.712
  561   1HD1  ILE  75          HD11      ILE  75  -0.014   7.360   3.385
  562   2HD1  ILE  75          HD12      ILE  75  -0.130   7.869   5.076
  563   3HD1  ILE  75          HD13      ILE  75  -0.648   8.961   3.790
  564    H    ILE  76           H        ILE  76  -0.088   8.311   0.188
  565    HA   ILE  76           HA       ILE  76   0.758  10.440  -1.764
  566    HB   ILE  76           HB       ILE  76  -0.397   9.007  -3.505
  567   1HG1  ILE  76          HG12      ILE  76   0.046   6.766  -1.499
  568   2HG1  ILE  76          HG13      ILE  76  -1.510   7.577  -1.654
  569   1HG2  ILE  76          HG21      ILE  76   2.070   9.242  -3.297
  570   2HG2  ILE  76          HG22      ILE  76   2.102   7.755  -2.333
  571   3HG2  ILE  76          HG23      ILE  76   1.539   7.722  -4.015
  572   1HD1  ILE  76          HD11      ILE  76  -0.167   6.119  -3.949
  573   2HD1  ILE  76          HD12      ILE  76  -1.402   5.425  -2.881
  574   3HD1  ILE  76          HD13      ILE  76  -1.812   6.801  -3.901
  575    H    GLY  77           H        GLY  77  -1.739   9.405   0.419
  576   1HA   GLY  77          HA1       GLY  77  -4.008  10.941  -0.748
  577   2HA   GLY  77          HA2       GLY  77  -3.823   9.279  -1.280
  578    H    GLU  78           H        GLU  78  -6.014   9.833  -0.049
  579    HA   GLU  78           HA       GLU  78  -5.812   8.139   2.332
  580   1HB   GLU  78          HB2       GLU  78  -7.607  10.630   2.111
  581   2HB   GLU  78          HB3       GLU  78  -7.339   9.593   3.514
  582   1HG   GLU  78          HG2       GLU  78  -5.984  11.378   4.125
  583   2HG   GLU  78          HG3       GLU  78  -4.888  10.210   3.428
  584    H    LEU  79           H        LEU  79  -7.795   7.083   2.821
  585    HA   LEU  79           HA       LEU  79  -9.188   6.222   0.408
  586   1HB   LEU  79          HB2       LEU  79  -8.482   4.838   2.475
  587   2HB   LEU  79          HB3       LEU  79  -9.879   5.537   3.282
  588    HG   LEU  79           HG       LEU  79  -9.648   3.483   1.133
  589   1HD1  LEU  79          HD11      LEU  79 -10.253   3.092   3.600
  590   2HD1  LEU  79          HD12      LEU  79 -11.754   3.998   3.267
  591   3HD1  LEU  79          HD13      LEU  79 -11.444   2.455   2.442
  592   1HD2  LEU  79          HD21      LEU  79 -11.057   5.041  -0.120
  593   2HD2  LEU  79          HD22      LEU  79 -11.934   3.623   0.413
  594   3HD2  LEU  79          HD23      LEU  79 -12.169   5.143   1.295
  595    H    HIS  80           H        HIS  80 -10.943   7.145  -0.421
  596    HA   HIS  80           HA       HIS  80 -11.882   9.406   0.731
  597   1HB   HIS  80          HB2       HIS  80 -11.806   8.984  -1.685
  598   2HB   HIS  80          HB3       HIS  80 -13.209   7.903  -1.512
  599    HD1  HIS  80           HD1      HIS  80 -15.586   9.275  -1.237
  600    HD2  HIS  80           HD2      HIS  80 -12.051  11.514  -1.004
  601    HE1  HIS  80           HE1      HIS  80 -16.297  11.705  -0.888
  602    HA   PRO  81           HA       PRO  81 -14.617   7.618   3.594
  603   1HB   PRO  81          HB2       PRO  81 -15.974  10.416   3.392
  604   2HB   PRO  81          HB3       PRO  81 -15.723   9.527   4.884
  605   1HG   PRO  81          HG2       PRO  81 -14.030  11.603   3.909
  606   2HG   PRO  81          HG3       PRO  81 -13.311  10.201   4.777
  607   1HD   PRO  81          HD2       PRO  81 -13.351  10.861   1.902
  608   2HD   PRO  81          HD3       PRO  81 -12.293   9.774   2.891
  609    H    ASP  82           H        ASP  82 -15.995   8.796   0.862
  610    HA   ASP  82           HA       ASP  82 -18.777   8.320   1.389
  611   1HB   ASP  82          HB2       ASP  82 -17.867   9.655  -0.570
  612   2HB   ASP  82          HB3       ASP  82 -17.258   8.130  -1.270
  613    H    ASP  83           H        ASP  83 -15.970   6.396   1.012
  614    HA   ASP  83           HA       ASP  83 -16.876   3.807   0.397
  615   1HB   ASP  83          HB2       ASP  83 -14.571   4.990   0.356
  616   2HB   ASP  83          HB3       ASP  83 -14.537   5.002   2.045
  617    H    ARG  84           H        ARG  84 -15.261   3.520   3.097
  618    HA   ARG  84           HA       ARG  84 -15.502   2.693   5.113
  619   1HB   ARG  84          HB2       ARG  84 -17.604   4.859   5.379
  620   2HB   ARG  84          HB3       ARG  84 -16.750   4.032   6.711
  621   1HG   ARG  84          HG2       ARG  84 -14.600   4.955   5.931
  622   2HG   ARG  84          HG3       ARG  84 -15.410   5.736   4.566
  623   1HD   ARG  84          HD2       ARG  84 -15.008   7.345   6.369
  624   2HD   ARG  84          HD3       ARG  84 -16.720   7.164   6.054
  625    HE   ARG  84           HE       ARG  84 -15.133   6.162   8.386
  626   1HH1  ARG  84          HH22      ARG  84 -18.295   6.161   6.817
  627   2HH1  ARG  84          HH21      ARG  84 -19.183   5.680   8.222
  628   1HH2  ARG  84          HH11      ARG  84 -16.267   5.565  10.278
  629   2HH2  ARG  84          HH12      ARG  84 -17.989   5.339  10.251
  630    HHA  HEM 201           HGM      HEM 201   9.147  -8.589   5.787
  631    HHB  HEM 201           HDM      HEM 201   8.408  -2.295   4.683
  632    HHC  HEM 201           HAM      HEM 201   2.264  -3.394   3.040
  633    HHD  HEM 201           HBM      HEM 201   3.383  -9.728   3.116
  634   1HMA  HEM 201          HM81      HEM 201  11.668  -3.974   5.685
  635   2HMA  HEM 201          HM82      HEM 201  10.630  -2.764   4.946
  636   3HMA  HEM 201          HM83      HEM 201  10.532  -3.063   6.693
  637   1HAA  HEM 201          HP71      HEM 201  11.062  -7.453   6.450
  638   2HAA  HEM 201          HP72      HEM 201  11.524  -5.780   7.019
  639   1HBA  HEM 201          HP73      HEM 201  10.866  -7.300   8.842
  640   2HBA  HEM 201          HP74      HEM 201   9.187  -7.404   8.111
  641   1HMB  HEM 201          HM11      HEM 201   6.224   0.244   3.007
  642   2HMB  HEM 201          HM12      HEM 201   6.372   0.086   4.764
  643   3HMB  HEM 201          HM13      HEM 201   7.675  -0.471   3.689
  644    HAB  HEM 201          HT2A      HEM 201   2.678  -1.313   2.440
  645   1HBB  HEM 201          HV2C      HEM 201   4.351   0.794   3.832
  646   2HBB  HEM 201          HV2T      HEM 201   2.642   0.944   3.052
  647   1HMC  HEM 201          HM31      HEM 201   0.305  -4.575   3.662
  648   2HMC  HEM 201          HM32      HEM 201   0.180  -4.983   1.932
  649   3HMC  HEM 201          HM33      HEM 201  -0.401  -6.126   3.175
  650    HAC  HEM 201          HT4A      HEM 201   0.973  -9.263   3.577
  651   1HBC  HEM 201          HV4C      HEM 201   0.226  -7.944   0.933
  652   2HBC  HEM 201          HV4T      HEM 201  -0.119  -9.688   1.484
  653   1HMD  HEM 201          HM51      HEM 201   4.397 -11.654   3.263
  654   2HMD  HEM 201          HM52      HEM 201   6.061 -12.213   3.116
  655   3HMD  HEM 201          HM53      HEM 201   5.252 -12.249   4.695
  656   1HAD  HEM 201          HP61      HEM 201   7.925 -12.048   4.601
  657   2HAD  HEM 201          HP62      HEM 201   9.144 -10.701   4.763
  658   1HBD  HEM 201          HP63      HEM 201   8.237 -10.359   7.120
  659   2HBD  HEM 201          HP64      HEM 201   7.327 -11.933   6.873
  Start of MODEL   31
    1   1H    ALA   3          H1        ALA   3  -5.378  21.041   2.353
    2   2H    ALA   3          H2        ALA   3  -6.858  21.436   1.797
    3   3H    ALA   3          H3        ALA   3  -6.314  22.139   3.205
    4    HA   ALA   3           HA       ALA   3  -6.413  20.132   4.376
    5   1HB   ALA   3          HB1       ALA   3  -8.740  19.383   4.100
    6   2HB   ALA   3          HB2       ALA   3  -8.676  21.141   3.931
    7   3HB   ALA   3          HB3       ALA   3  -8.820  20.117   2.486
    8    H    VAL   4           H        VAL   4  -7.593  17.664   3.667
    9    HA   VAL   4           HA       VAL   4  -5.583  16.388   2.024
   10    HB   VAL   4           HB       VAL   4  -6.969  14.405   2.289
   11   1HG1  VAL   4          HG11      VAL   4  -5.440  15.068   4.117
   12   2HG1  VAL   4          HG12      VAL   4  -6.797  15.874   4.940
   13   3HG1  VAL   4          HG13      VAL   4  -6.833  14.120   4.662
   14   1HG2  VAL   4          HG21      VAL   4  -9.029  14.539   3.763
   15   2HG2  VAL   4          HG22      VAL   4  -9.040  16.283   3.545
   16   3HG2  VAL   4          HG23      VAL   4  -9.239  15.214   2.142
   17    H    LYS   5           H        LYS   5  -6.520  14.912   0.144
   18    HA   LYS   5           HA       LYS   5  -8.069  16.668  -1.744
   19   1HB   LYS   5          HB2       LYS   5  -5.699  16.397  -2.338
   20   2HB   LYS   5          HB3       LYS   5  -5.860  14.648  -2.332
   21   1HG   LYS   5          HG2       LYS   5  -7.240  16.601  -4.244
   22   2HG   LYS   5          HG3       LYS   5  -5.852  15.557  -4.593
   23   1HD   LYS   5          HD2       LYS   5  -7.358  13.599  -3.900
   24   2HD   LYS   5          HD3       LYS   5  -8.725  14.744  -4.077
   25   1HE   LYS   5          HE2       LYS   5  -8.039  15.047  -6.477
   26   2HE   LYS   5          HE3       LYS   5  -6.846  13.755  -6.228
   27   1HZ   LYS   5          HZ1       LYS   5  -9.775  13.568  -6.077
   28   2HZ   LYS   5          HZ2       LYS   5  -8.746  12.660  -6.989
   29   3HZ   LYS   5          HZ3       LYS   5  -8.843  12.456  -5.342
   30    H    TYR   6           H        TYR   6  -7.085  13.314  -1.283
   31    HA   TYR   6           HA       TYR   6  -8.130  11.463  -0.764
   32   1HB   TYR   6          HB2       TYR   6 -10.928  12.711  -1.058
   33   2HB   TYR   6          HB3       TYR   6 -10.427  11.148  -0.441
   34    HD1  TYR   6           HD1      TYR   6  -7.913  12.554   1.070
   35    HD2  TYR   6           HD2      TYR   6 -12.225  12.777   1.128
   36    HE1  TYR   6           HE1      TYR   6  -7.896  11.912   3.291
   37    HE2  TYR   6           HE2      TYR   6 -12.188  12.194   3.524
   38    HH   TYR   6           HH       TYR   6  -9.239  11.129   5.182
   39    H    TYR   7           H        TYR   7  -8.781   9.742  -1.477
   40    HA   TYR   7           HA       TYR   7  -8.728   9.406  -4.394
   41   1HB   TYR   7          HB2       TYR   7  -7.145   8.735  -1.944
   42   2HB   TYR   7          HB3       TYR   7  -7.282   7.496  -2.982
   43    HD1  TYR   7           HD1      TYR   7  -7.203  10.812  -4.729
   44    HD2  TYR   7           HD2      TYR   7  -4.691   7.846  -2.848
   45    HE1  TYR   7           HE1      TYR   7  -5.272  12.270  -5.020
   46    HE2  TYR   7           HE2      TYR   7  -2.741   9.294  -3.276
   47    HH   TYR   7           HH       TYR   7  -2.289  11.614  -3.354
   48    H    THR   8           H        THR   8 -10.258   8.315  -5.077
   49    HA   THR   8           HA       THR   8 -12.299   7.193  -3.331
   50    HB   THR   8           HB       THR   8 -13.380   6.949  -5.717
   51    HG1  THR   8           HG1      THR   8 -11.369   7.178  -6.885
   52   1HG2  THR   8          HG21      THR   8 -12.465   9.672  -4.690
   53   2HG2  THR   8          HG22      THR   8 -13.807   9.382  -5.817
   54   3HG2  THR   8          HG23      THR   8 -13.914   8.783  -4.146
   55    H    LEU   9           H        LEU   9 -13.013   4.991  -3.453
   56    HA   LEU   9           HA       LEU   9 -11.113   2.917  -3.849
   57   1HB   LEU   9          HB2       LEU   9 -12.915   2.537  -2.540
   58   2HB   LEU   9          HB3       LEU   9 -14.126   2.971  -3.750
   59    HG   LEU   9           HG       LEU   9 -12.260   0.599  -4.171
   60   1HD1  LEU   9          HD11      LEU   9 -13.908  -0.849  -3.027
   61   2HD1  LEU   9          HD12      LEU   9 -13.167   0.307  -1.910
   62   3HD1  LEU   9          HD13      LEU   9 -14.815   0.590  -2.514
   63   1HD2  LEU   9          HD21      LEU   9 -13.765   1.191  -6.079
   64   2HD2  LEU   9          HD22      LEU   9 -14.281  -0.323  -5.340
   65   3HD2  LEU   9          HD23      LEU   9 -15.161   1.172  -4.984
   66    H    GLU  10           H        GLU  10 -13.511   4.313  -6.051
   67    HA   GLU  10           HA       GLU  10 -13.199   3.021  -8.408
   68   1HB   GLU  10          HB2       GLU  10 -14.487   5.134  -7.952
   69   2HB   GLU  10          HB3       GLU  10 -12.998   6.057  -8.063
   70   1HG   GLU  10          HG2       GLU  10 -14.215   6.212 -10.151
   71   2HG   GLU  10          HG3       GLU  10 -12.698   5.357 -10.424
   72    H    GLU  11           H        GLU  11 -10.896   5.342  -7.067
   73    HA   GLU  11           HA       GLU  11  -8.953   4.911  -9.261
   74   1HB   GLU  11          HB2       GLU  11  -9.057   6.678  -6.737
   75   2HB   GLU  11          HB3       GLU  11  -7.493   6.152  -7.253
   76   1HG   GLU  11          HG2       GLU  11  -9.337   7.680  -9.076
   77   2HG   GLU  11          HG3       GLU  11  -8.105   8.377  -7.998
   78    H    ILE  12           H        ILE  12  -9.186   4.185  -5.784
   79    HA   ILE  12           HA       ILE  12  -6.609   3.175  -5.612
   80    HB   ILE  12           HB       ILE  12  -9.002   2.453  -3.900
   81   1HG1  ILE  12          HG12      ILE  12  -6.810   4.403  -3.131
   82   2HG1  ILE  12          HG13      ILE  12  -8.113   4.981  -4.160
   83   1HG2  ILE  12          HG21      ILE  12  -7.243   0.842  -3.452
   84   2HG2  ILE  12          HG22      ILE  12  -6.026   2.141  -3.360
   85   3HG2  ILE  12          HG23      ILE  12  -7.282   2.001  -2.122
   86   1HD1  ILE  12          HD11      ILE  12  -8.523   5.448  -1.853
   87   2HD1  ILE  12          HD12      ILE  12  -9.764   4.337  -2.463
   88   3HD1  ILE  12          HD13      ILE  12  -8.469   3.737  -1.402
   89    H    GLN  13           H        GLU  13  -9.558   1.344  -6.437
   90    HA   GLN  13           HA       GLU  13  -8.430  -1.276  -6.462
   91   1HB   GLN  13          HB2       GLU  13 -10.264   0.121  -8.488
   92   2HB   GLN  13          HB3       GLU  13 -10.014  -1.625  -8.474
   93   1HG   GLN  13          HG2       GLU  13 -11.217  -1.837  -6.380
   94   2HG   GLN  13          HG3       GLU  13 -11.462  -0.085  -6.308
   95    H    LYS  14           H        LYS  14  -8.037   1.426  -8.587
   96    HA   LYS  14           HA       LYS  14  -7.653  -0.128 -11.025
   97   1HB   LYS  14          HB2       LYS  14  -9.284   1.844 -10.218
   98   2HB   LYS  14          HB3       LYS  14  -7.962   2.873 -10.730
   99   1HG   LYS  14          HG2       LYS  14  -9.470   2.827 -12.462
  100   2HG   LYS  14          HG3       LYS  14  -8.204   1.701 -12.993
  101   1HD   LYS  14          HD2       LYS  14 -10.025   0.401 -13.490
  102   2HD   LYS  14          HD3       LYS  14  -9.846  -0.134 -11.824
  103   1HE   LYS  14          HE2       LYS  14 -11.703   2.142 -12.707
  104   2HE   LYS  14          HE3       LYS  14 -12.214   0.451 -12.673
  105   1HZ   LYS  14          HZ1       LYS  14 -12.836   1.802 -10.772
  106   2HZ   LYS  14          HZ2       LYS  14 -12.047   0.450 -10.279
  107   3HZ   LYS  14          HZ3       LYS  14 -11.315   1.937 -10.299
  108    H    HIS  15           H        HIS  15  -5.609   0.748  -8.752
  109    HA   HIS  15           HA       HIS  15  -3.410   1.871 -10.390
  110   1HB   HIS  15          HB2       HIS  15  -4.304   1.875  -7.537
  111   2HB   HIS  15          HB3       HIS  15  -2.604   1.581  -7.697
  112    HD1  HIS  15           HD1      HIS  15  -1.112   3.535  -8.610
  113    HD2  HIS  15           HD2      HIS  15  -5.243   4.274  -8.542
  114    HE1  HIS  15           HE1      HIS  15  -1.428   6.005  -9.267
  115    H    ASN  16           H        ASN  16  -1.519   0.325  -8.723
  116    HA   ASN  16           HA       ASN  16  -0.742  -1.821  -8.290
  117   1HB   ASN  16          HB2       ASN  16  -2.513  -3.375  -7.363
  118   2HB   ASN  16          HB3       ASN  16  -2.381  -1.767  -6.668
  119   1HD2  ASN  16          HD21      ASN  16  -4.512  -3.948  -8.479
  120   2HD2  ASN  16          HD22      ASN  16  -5.868  -2.798  -8.473
  121    H    ASN  17           H        ASN  17  -1.142  -1.188 -11.103
  122    HA   ASN  17           HA       ASN  17  -0.741  -3.895 -12.164
  123   1HB   ASN  17          HB2       ASN  17  -3.122  -2.182 -13.049
  124   2HB   ASN  17          HB3       ASN  17  -2.471  -3.551 -13.955
  125   1HD2  ASN  17          HD21      ASN  17  -4.398  -2.585 -11.186
  126   2HD2  ASN  17          HD22      ASN  17  -4.987  -4.200 -10.832
  127    H    SER  18           H        SER  18  -1.643  -0.551 -13.320
  128    HA   SER  18           HA       SER  18   0.469  -0.721 -15.372
  129   1HB   SER  18          HB2       SER  18  -0.986   1.259 -16.174
  130   2HB   SER  18          HB3       SER  18  -1.744  -0.347 -16.178
  131    HG   SER  18           HG       SER  18  -3.140   1.114 -15.153
  132    H    LYS  19           H        LYS  19  -1.081   1.722 -13.402
  133    HA   LYS  19           HA       LYS  19   1.007   3.572 -13.802
  134   1HB   LYS  19          HB2       LYS  19  -0.321   4.793 -11.813
  135   2HB   LYS  19          HB3       LYS  19  -0.745   4.742 -13.516
  136   1HG   LYS  19          HG2       LYS  19  -2.493   3.015 -13.042
  137   2HG   LYS  19          HG3       LYS  19  -2.094   3.244 -11.324
  138   1HD   LYS  19          HD2       LYS  19  -2.551   5.696 -11.600
  139   2HD   LYS  19          HD3       LYS  19  -2.982   5.430 -13.280
  140   1HE   LYS  19          HE2       LYS  19  -5.033   4.440 -12.783
  141   2HE   LYS  19          HE3       LYS  19  -4.518   3.888 -11.194
  142   1HZ   LYS  19          HZ1       LYS  19  -6.089   5.782 -11.069
  143   2HZ   LYS  19          HZ2       LYS  19  -4.679   6.091 -10.334
  144   3HZ   LYS  19          HZ3       LYS  19  -5.019   6.745 -11.797
  145    H    SER  20           H        SER  20  -0.003   2.602 -10.511
  146    HA   SER  20           HA       SER  20   2.604   1.958  -9.710
  147   1HB   SER  20          HB2       SER  20   2.603   4.556  -9.737
  148   2HB   SER  20          HB3       SER  20   1.503   4.463  -8.350
  149    HG   SER  20           HG       SER  20   3.116   3.693  -7.155
  150    H    THR  21           H        THR  21   2.443   1.287  -7.474
  151    HA   THR  21           HA       THR  21  -0.028  -0.223  -7.120
  152    HB   THR  21           HB       THR  21   2.656  -0.643  -5.786
  153    HG1  THR  21           HG1      THR  21   1.744  -1.738  -8.233
  154   1HG2  THR  21          HG21      THR  21   0.350  -2.552  -6.394
  155   2HG2  THR  21          HG22      THR  21   1.933  -3.032  -5.773
  156   3HG2  THR  21          HG23      THR  21   0.885  -1.998  -4.794
  157    H    TRP  22           H        TRP  22  -1.536   0.459  -5.820
  158    HA   TRP  22           HA       TRP  22  -0.960   2.167  -3.485
  159   1HB   TRP  22          HB2       TRP  22  -3.219   1.715  -5.427
  160   2HB   TRP  22          HB3       TRP  22  -3.597   2.385  -3.882
  161    HD1  TRP  22           HD1      TRP  22  -0.311   3.407  -5.534
  162    HE1  TRP  22           HE1      TRP  22  -0.349   5.780  -6.264
  163    HE3  TRP  22           HE3      TRP  22  -5.195   4.329  -4.572
  164    HZ2  TRP  22           HZ2      TRP  22  -2.469   7.857  -6.745
  165    HZ3  TRP  22           HZ3      TRP  22  -6.272   6.453  -5.300
  166    HH2  TRP  22           HH2      TRP  22  -4.963   8.146  -6.520
  167    H    LEU  23           H        LEU  23  -1.719   1.562  -1.381
  168    HA   LEU  23           HA       LEU  23  -3.773  -0.531  -1.207
  169   1HB   LEU  23          HB2       LEU  23  -2.016  -1.061   0.995
  170   2HB   LEU  23          HB3       LEU  23  -2.583  -2.120  -0.240
  171    HG   LEU  23           HG       LEU  23  -0.543  -1.111  -1.661
  172   1HD1  LEU  23          HD11      LEU  23   0.346  -0.875   1.235
  173   2HD1  LEU  23          HD12      LEU  23   1.278  -0.468  -0.231
  174   3HD1  LEU  23          HD13      LEU  23  -0.136   0.506   0.210
  175   1HD2  LEU  23          HD21      LEU  23  -0.216  -3.149   0.575
  176   2HD2  LEU  23          HD22      LEU  23  -0.763  -3.490  -1.080
  177   3HD2  LEU  23          HD23      LEU  23   0.890  -2.905  -0.797
  178    H    ILE  24           H        ILE  24  -4.889  -0.479   0.910
  179    HA   ILE  24           HA       ILE  24  -4.661   2.201   2.188
  180    HB   ILE  24           HB       ILE  24  -6.910   0.257   2.755
  181   1HG1  ILE  24          HG12      ILE  24  -7.353   2.302   0.592
  182   2HG1  ILE  24          HG13      ILE  24  -6.773   0.686   0.175
  183   1HG2  ILE  24          HG21      ILE  24  -6.814   3.277   2.726
  184   2HG2  ILE  24          HG22      ILE  24  -8.142   2.268   3.328
  185   3HG2  ILE  24          HG23      ILE  24  -6.588   2.258   4.163
  186   1HD1  ILE  24          HD11      ILE  24  -9.214   0.805   0.052
  187   2HD1  ILE  24          HD12      ILE  24  -8.617  -0.422   1.179
  188   3HD1  ILE  24          HD13      ILE  24  -9.280   1.085   1.809
  189    H    LEU  25           H        LEU  25  -3.848   2.442   4.100
  190    HA   LEU  25           HA       LEU  25  -3.664   0.140   5.993
  191   1HB   LEU  25          HB2       LEU  25  -1.513   1.847   4.914
  192   2HB   LEU  25          HB3       LEU  25  -1.407   1.385   6.613
  193    HG   LEU  25           HG       LEU  25  -1.319  -0.963   5.974
  194   1HD1  LEU  25          HD11      LEU  25  -1.620   0.066   3.146
  195   2HD1  LEU  25          HD12      LEU  25  -0.745  -1.441   3.494
  196   3HD1  LEU  25          HD13      LEU  25  -2.424  -1.306   3.973
  197   1HD2  LEU  25          HD21      LEU  25   0.669   0.764   4.420
  198   2HD2  LEU  25          HD22      LEU  25   0.774   0.406   6.154
  199   3HD2  LEU  25          HD23      LEU  25   0.951  -0.897   4.959
  200    H    HIS  26           H        HIS  26  -5.411   0.965   7.134
  201    HA   HIS  26           HA       HIS  26  -6.478   2.155   8.744
  202   1HB   HIS  26          HB2       HIS  26  -4.051   3.964   9.078
  203   2HB   HIS  26          HB3       HIS  26  -5.359   3.664  10.209
  204    HD1  HIS  26           HD1      HIS  26  -5.160   1.416  11.675
  205    HD2  HIS  26           HD2      HIS  26  -2.058   2.153   8.911
  206    HE1  HIS  26           HE1      HIS  26  -3.243  -0.142  12.289
  207    H    TYR  27           H        TYR  27  -7.278   2.662   6.348
  208    HA   TYR  27           HA       TYR  27  -8.466   4.023   5.054
  209   1HB   TYR  27          HB2       TYR  27  -8.222   6.112   7.244
  210   2HB   TYR  27          HB3       TYR  27  -9.295   6.172   5.857
  211    HD1  TYR  27           HD1      TYR  27  -8.999   5.027   9.245
  212    HD2  TYR  27           HD2      TYR  27 -10.918   4.173   5.479
  213    HE1  TYR  27           HE1      TYR  27 -10.681   3.639  10.414
  214    HE2  TYR  27           HE2      TYR  27 -12.534   2.700   6.639
  215    HH   TYR  27           HH       TYR  27 -12.530   2.271  10.189
  216    H    LYS  28           H        LYS  28  -5.470   5.511   6.207
  217    HA   LYS  28           HA       LYS  28  -5.120   7.280   3.973
  218   1HB   LYS  28          HB2       LYS  28  -3.322   6.075   6.068
  219   2HB   LYS  28          HB3       LYS  28  -2.606   6.688   4.569
  220   1HG   LYS  28          HG2       LYS  28  -2.494   8.413   6.221
  221   2HG   LYS  28          HG3       LYS  28  -3.484   8.846   4.845
  222   1HD   LYS  28          HD2       LYS  28  -4.670   9.662   6.528
  223   2HD   LYS  28          HD3       LYS  28  -5.546   8.166   6.332
  224   1HE   LYS  28          HE2       LYS  28  -3.454   8.895   8.461
  225   2HE   LYS  28          HE3       LYS  28  -5.198   8.741   8.707
  226   1HZ   LYS  28          HZ1       LYS  28  -3.385   6.532   7.997
  227   2HZ   LYS  28          HZ2       LYS  28  -4.036   6.807   9.480
  228   3HZ   LYS  28          HZ3       LYS  28  -5.008   6.389   8.228
  229    H    VAL  29           H        VAL  29  -3.827   6.963   2.140
  230    HA   VAL  29           HA       VAL  29  -3.841   4.203   1.032
  231    HB   VAL  29           HB       VAL  29  -4.348   6.868  -0.307
  232   1HG1  VAL  29          HG11      VAL  29  -3.027   5.472  -1.828
  233   2HG1  VAL  29          HG12      VAL  29  -4.101   4.089  -1.529
  234   3HG1  VAL  29          HG13      VAL  29  -4.717   5.543  -2.346
  235   1HG2  VAL  29          HG21      VAL  29  -6.253   5.652   0.958
  236   2HG2  VAL  29          HG22      VAL  29  -6.524   5.985  -0.768
  237   3HG2  VAL  29          HG23      VAL  29  -6.070   4.354  -0.224
  238    H    TYR  30           H        TYR  30  -2.001   3.489   0.125
  239    HA   TYR  30           HA       TYR  30   0.498   5.013   0.690
  240   1HB   TYR  30          HB2       TYR  30  -0.598   2.283   1.387
  241   2HB   TYR  30          HB3       TYR  30   1.111   2.498   1.372
  242    HD1  TYR  30           HD1      TYR  30  -2.134   3.796   2.737
  243    HD2  TYR  30           HD2      TYR  30   2.080   3.365   3.487
  244    HE1  TYR  30           HE1      TYR  30  -2.495   4.396   5.007
  245    HE2  TYR  30           HE2      TYR  30   1.657   3.961   5.889
  246    HH   TYR  30           HH       TYR  30  -1.640   4.029   7.087
  247    H    ASP  31           H        ASP  31   1.814   5.096  -1.141
  248    HA   ASP  31           HA       ASP  31   1.212   3.241  -3.398
  249   1HB   ASP  31          HB2       ASP  31   1.030   5.823  -3.669
  250   2HB   ASP  31          HB3       ASP  31   2.799   5.802  -3.625
  251    H    LEU  32           H        LEU  32   2.966   2.008  -4.176
  252    HA   LEU  32           HA       LEU  32   5.633   2.579  -2.966
  253   1HB   LEU  32          HB2       LEU  32   5.239  -0.314  -3.224
  254   2HB   LEU  32          HB3       LEU  32   5.965   0.641  -1.952
  255    HG   LEU  32           HG       LEU  32   2.993   0.164  -2.257
  256   1HD1  LEU  32          HD11      LEU  32   4.392  -1.889  -1.757
  257   2HD1  LEU  32          HD12      LEU  32   5.033  -1.048  -0.323
  258   3HD1  LEU  32          HD13      LEU  32   3.312  -1.458  -0.427
  259   1HD2  LEU  32          HD21      LEU  32   2.718   1.765  -0.724
  260   2HD2  LEU  32          HD22      LEU  32   3.631   0.789   0.422
  261   3HD2  LEU  32          HD23      LEU  32   4.479   1.984  -0.582
  262    H    THR  33           H        THR  33   4.492   0.014  -5.133
  263    HA   THR  33           HA       THR  33   5.303  -0.849  -6.971
  264    HB   THR  33           HB       THR  33   5.629   2.033  -7.812
  265    HG1  THR  33           HG1      THR  33   3.772  -0.111  -8.149
  266   1HG2  THR  33          HG21      THR  33   7.111   0.722  -9.300
  267   2HG2  THR  33          HG22      THR  33   5.849  -0.519  -9.488
  268   3HG2  THR  33          HG23      THR  33   5.595   1.115 -10.129
  269    H    LYS  34           H        LYS  34   7.692   1.812  -6.414
  270    HA   LYS  34           HA       LYS  34   9.949   0.357  -7.413
  271   1HB   LYS  34          HB2       LYS  34   9.792   2.583  -5.334
  272   2HB   LYS  34          HB3       LYS  34  11.268   2.036  -6.151
  273   1HG   LYS  34          HG2       LYS  34  10.314   2.668  -8.344
  274   2HG   LYS  34          HG3       LYS  34   8.828   3.232  -7.551
  275   1HD   LYS  34          HD2       LYS  34  10.146   4.860  -6.222
  276   2HD   LYS  34          HD3       LYS  34  11.627   4.330  -7.054
  277   1HE   LYS  34          HE2       LYS  34  10.649   5.029  -9.240
  278   2HE   LYS  34          HE3       LYS  34   9.160   5.534  -8.421
  279   1HZ   LYS  34          HZ1       LYS  34  10.440   7.176  -7.231
  280   2HZ   LYS  34          HZ2       LYS  34  11.826   6.710  -7.988
  281   3HZ   LYS  34          HZ3       LYS  34  10.600   7.383  -8.854
  282    H    PHE  35           H        PHE  35   8.246   0.231  -4.356
  283    HA   PHE  35           HA       PHE  35  10.502  -0.849  -2.843
  284   1HB   PHE  35          HB2       PHE  35   8.457   0.565  -1.972
  285   2HB   PHE  35          HB3       PHE  35   7.598  -0.987  -2.017
  286    HD1  PHE  35           HD1      PHE  35   8.104  -2.641  -0.239
  287    HD2  PHE  35           HD2      PHE  35  10.719   0.733  -0.824
  288    HE1  PHE  35           HE1      PHE  35   9.631  -3.454   1.543
  289    HE2  PHE  35           HE2      PHE  35  12.127  -0.034   1.045
  290    HZ   PHE  35           HZ       PHE  35  11.600  -2.124   2.213
  291    H    LEU  36           H        LEU  36   7.859  -2.033  -4.781
  292    HA   LEU  36           HA       LEU  36   7.460  -4.661  -3.855
  293   1HB   LEU  36          HB2       LEU  36   7.630  -3.651  -6.734
  294   2HB   LEU  36          HB3       LEU  36   6.869  -5.103  -6.209
  295    HG   LEU  36           HG       LEU  36   5.871  -2.352  -5.470
  296   1HD1  LEU  36          HD11      LEU  36   4.882  -4.547  -7.353
  297   2HD1  LEU  36          HD12      LEU  36   4.000  -3.065  -6.984
  298   3HD1  LEU  36          HD13      LEU  36   5.550  -2.996  -7.852
  299   1HD2  LEU  36          HD21      LEU  36   3.892  -3.582  -4.606
  300   2HD2  LEU  36          HD22      LEU  36   4.816  -5.092  -4.739
  301   3HD2  LEU  36          HD23      LEU  36   5.371  -3.779  -3.664
  302    H    GLU  37           H        GLU  37   9.998  -3.295  -5.880
  303    HA   GLU  37           HA       GLU  37  11.291  -5.651  -6.744
  304   1HB   GLU  37          HB2       GLU  37  11.513  -3.164  -7.469
  305   2HB   GLU  37          HB3       GLU  37  12.651  -2.982  -6.135
  306   1HG   GLU  37          HG2       GLU  37  14.076  -4.753  -7.131
  307   2HG   GLU  37          HG3       GLU  37  12.896  -4.963  -8.441
  308    H    GLU  38           H        GLU  38  11.674  -3.629  -3.871
  309    HA   GLU  38           HA       GLU  38  13.957  -5.059  -2.776
  310   1HB   GLU  38          HB2       GLU  38  13.542  -2.620  -2.490
  311   2HB   GLU  38          HB3       GLU  38  12.085  -2.968  -1.547
  312   1HG   GLU  38          HG2       GLU  38  13.441  -4.135   0.135
  313   2HG   GLU  38          HG3       GLU  38  14.913  -3.789  -0.799
  314    H    HIS  39           HN       HIS  39  10.486  -4.890  -2.192
  315    HA   HIS  39           HA       HIS  39  10.208  -5.623   0.298
  316   1HB   HIS  39          HB2       HIS  39   8.400  -4.942  -1.203
  317   2HB   HIS  39          HB3       HIS  39   8.342  -6.569  -1.892
  318    HD1  HIS  39           HD1      HIS  39   6.329  -7.849  -0.780
  319    HD2  HIS  39           HD2      HIS  39   8.316  -5.160   1.766
  320    HE1  HIS  39           HE1      HIS  39   5.166  -7.976   1.475
  321    HA   PRO  40           HA       PRO  40  11.953  -9.837   0.557
  322   1HB   PRO  40          HB2       PRO  40  10.863  -9.350   3.345
  323   2HB   PRO  40          HB3       PRO  40  12.364 -10.198   2.872
  324   1HG   PRO  40          HG2       PRO  40  12.526  -7.620   3.669
  325   2HG   PRO  40          HG3       PRO  40  13.379  -8.113   2.177
  326   1HD   PRO  40          HD2       PRO  40  10.693  -6.734   2.406
  327   2HD   PRO  40          HD3       PRO  40  12.081  -6.346   1.350
  328    H    GLY  41           H        GLY  41   8.711  -8.852   1.745
  329   1HA   GLY  41          HA1       GLY  41   7.466 -11.372   1.986
  330   2HA   GLY  41          HA2       GLY  41   6.675  -9.877   1.556
  331    H    GLY  42           H        GLY  42   8.356  -9.558  -0.971
  332   1HA   GLY  42          HA1       GLY  42   8.262 -10.458  -3.174
  333   2HA   GLY  42          HA2       GLY  42   6.953 -11.551  -2.709
  334    H    GLU  43           H        GLU  43   6.682 -10.015  -4.959
  335    HA   GLU  43           HA       GLU  43   5.293  -7.522  -4.313
  336   1HB   GLU  43          HB2       GLU  43   6.777  -7.314  -6.032
  337   2HB   GLU  43          HB3       GLU  43   6.286  -8.747  -6.877
  338   1HG   GLU  43          HG2       GLU  43   4.336  -6.479  -6.558
  339   2HG   GLU  43          HG3       GLU  43   5.566  -6.535  -7.860
  340    H    GLU  44           H        GLU  44   4.205 -10.231  -6.477
  341    HA   GLU  44           HA       GLU  44   1.733  -9.582  -6.554
  342   1HB   GLU  44          HB2       GLU  44   2.729 -12.392  -6.240
  343   2HB   GLU  44          HB3       GLU  44   0.999 -12.114  -6.452
  344   1HG   GLU  44          HG2       GLU  44   3.011 -11.140  -8.497
  345   2HG   GLU  44          HG3       GLU  44   2.061 -12.618  -8.620
  346    H    VAL  45           H        VAL  45   2.780 -11.537  -3.773
  347    HA   VAL  45           HA       VAL  45   0.360 -11.623  -2.322
  348    HB   VAL  45           HB       VAL  45   2.387 -12.795  -1.636
  349   1HG1  VAL  45          HG11      VAL  45   3.445 -10.100  -0.658
  350   2HG1  VAL  45          HG12      VAL  45   4.137 -11.692  -0.338
  351   3HG1  VAL  45          HG13      VAL  45   4.106 -11.070  -1.997
  352   1HG2  VAL  45          HG21      VAL  45   2.153 -12.566   0.773
  353   2HG2  VAL  45          HG22      VAL  45   1.398 -10.976   0.598
  354   3HG2  VAL  45          HG23      VAL  45   0.558 -12.428   0.008
  355    H    LEU  46           H        LEU  46   2.519  -8.762  -2.621
  356    HA   LEU  46           HA       LEU  46   0.888  -7.106  -0.821
  357   1HB   LEU  46          HB2       LEU  46   2.801  -6.322  -3.085
  358   2HB   LEU  46          HB3       LEU  46   1.958  -5.214  -2.030
  359    HG   LEU  46           HG       LEU  46   3.965  -7.273  -1.031
  360   1HD1  LEU  46          HD11      LEU  46   5.148  -5.713  -2.418
  361   2HD1  LEU  46          HD12      LEU  46   4.192  -4.336  -1.796
  362   3HD1  LEU  46          HD13      LEU  46   5.382  -5.125  -0.765
  363   1HD2  LEU  46          HD21      LEU  46   3.948  -5.692   0.926
  364   2HD2  LEU  46          HD22      LEU  46   2.529  -4.889   0.236
  365   3HD2  LEU  46          HD23      LEU  46   2.444  -6.606   0.713
  366    H    ARG  47           H        ARG  47   1.213  -7.732  -4.288
  367    HA   ARG  47           HA       ARG  47  -0.355  -5.642  -5.234
  368   1HB   ARG  47          HB2       ARG  47   1.303  -7.176  -6.402
  369   2HB   ARG  47          HB3       ARG  47  -0.037  -8.316  -6.596
  370   1HG   ARG  47          HG2       ARG  47  -0.022  -5.445  -7.638
  371   2HG   ARG  47          HG3       ARG  47   0.505  -6.867  -8.535
  372   1HD   ARG  47          HD2       ARG  47  -1.929  -7.808  -7.845
  373   2HD   ARG  47          HD3       ARG  47  -2.283  -6.084  -7.688
  374    HE   ARG  47           HE       ARG  47  -2.067  -5.774  -9.954
  375   1HH1  ARG  47          HH22      ARG  47  -0.626  -8.967  -9.068
  376   2HH1  ARG  47          HH21      ARG  47  -0.276  -9.452 -10.613
  377   1HH2  ARG  47          HH11      ARG  47  -2.154  -6.643 -12.095
  378   2HH2  ARG  47          HH12      ARG  47  -1.276  -8.116 -12.473
  379    H    GLU  48           H        GLU  48  -1.233  -8.974  -4.528
  380    HA   GLU  48           HA       GLU  48  -3.924  -9.254  -5.042
  381   1HB   GLU  48          HB2       GLU  48  -2.431 -10.997  -4.264
  382   2HB   GLU  48          HB3       GLU  48  -2.104 -10.126  -2.767
  383   1HG   GLU  48          HG2       GLU  48  -3.560 -12.022  -2.332
  384   2HG   GLU  48          HG3       GLU  48  -4.487 -10.549  -2.053
  385    H    GLN  49           H        GLN  49  -2.393  -7.642  -2.225
  386    HA   GLN  49           HA       GLN  49  -5.007  -6.935  -1.017
  387   1HB   GLN  49          HB2       GLN  49  -2.174  -6.154  -0.212
  388   2HB   GLN  49          HB3       GLN  49  -3.653  -5.975   0.726
  389   1HG   GLN  49          HG2       GLN  49  -2.456  -8.672  -0.091
  390   2HG   GLN  49          HG3       GLN  49  -2.173  -7.853   1.440
  391   1HE2  GLN  49          HE21      GLN  49  -4.909  -9.066  -0.599
  392   2HE2  GLN  49          HE22      GLN  49  -5.886  -9.531   0.779
  393    H    ALA  50           H        ALA  50  -2.387  -5.533  -2.869
  394    HA   ALA  50           HA       ALA  50  -3.054  -2.808  -2.626
  395   1HB   ALA  50          HB1       ALA  50  -1.600  -2.441  -4.507
  396   2HB   ALA  50          HB2       ALA  50  -0.913  -3.804  -3.614
  397   3HB   ALA  50          HB3       ALA  50  -1.855  -4.072  -5.106
  398    H    GLY  51           H        GLY  51  -3.963  -1.436  -4.402
  399   1HA   GLY  51          HA1       GLY  51  -6.162  -0.768  -4.703
  400   2HA   GLY  51          HA2       GLY  51  -6.185  -1.999  -5.984
  401    H    GLY  52           H        GLY  52  -5.809  -1.881  -2.403
  402   1HA   GLY  52          HA1       GLY  52  -8.504  -2.145  -1.720
  403   2HA   GLY  52          HA2       GLY  52  -7.750  -3.765  -1.766
  404    H    ASP  53           H        ASP  53  -8.264  -3.484   0.426
  405    HA   ASP  53           HA       ASP  53  -6.678  -1.811   2.240
  406   1HB   ASP  53          HB2       ASP  53  -8.956  -2.342   2.934
  407   2HB   ASP  53          HB3       ASP  53  -8.624  -4.083   2.799
  408    H    ALA  54           H        ALA  54  -4.938  -2.341   3.381
  409    HA   ALA  54           HA       ALA  54  -4.328  -5.197   3.816
  410   1HB   ALA  54          HB1       ALA  54  -2.115  -5.191   3.075
  411   2HB   ALA  54          HB2       ALA  54  -2.913  -4.248   1.800
  412   3HB   ALA  54          HB3       ALA  54  -1.997  -3.418   3.052
  413    H    THR  55           H        THR  55  -5.372  -2.826   5.374
  414    HA   THR  55           HA       THR  55  -3.398  -1.750   7.000
  415    HB   THR  55           HB       THR  55  -6.313  -2.320   7.800
  416    HG1  THR  55           HG1      THR  55  -6.232  -1.174   5.890
  417   1HG2  THR  55          HG21      THR  55  -4.219  -0.321   8.736
  418   2HG2  THR  55          HG22      THR  55  -5.946  -0.256   9.181
  419   3HG2  THR  55          HG23      THR  55  -4.941  -1.610   9.720
  420    H    GLU  56           H        GLU  56  -5.585  -4.418   8.097
  421    HA   GLU  56           HA       GLU  56  -4.153  -4.908  10.469
  422   1HB   GLU  56          HB2       GLU  56  -6.512  -5.601   9.941
  423   2HB   GLU  56          HB3       GLU  56  -5.899  -6.813   8.805
  424   1HG   GLU  56          HG2       GLU  56  -4.778  -7.991  10.655
  425   2HG   GLU  56          HG3       GLU  56  -5.269  -6.717  11.788
  426    H    ASN  57           H        ASN  57  -4.067  -6.546   7.278
  427    HA   ASN  57           HA       ASN  57  -2.233  -8.513   7.815
  428   1HB   ASN  57          HB2       ASN  57  -3.580  -7.998   5.688
  429   2HB   ASN  57          HB3       ASN  57  -2.232  -6.971   5.185
  430   1HD2  ASN  57          HD21      ASN  57  -3.060  -9.201   3.656
  431   2HD2  ASN  57          HD22      ASN  57  -1.818 -10.442   3.784
  432    H    PHE  58           H        PHE  58  -1.428  -5.168   6.730
  433    HA   PHE  58           HA       PHE  58   1.387  -5.480   6.706
  434   1HB   PHE  58          HB2       PHE  58   0.262  -3.534   5.735
  435   2HB   PHE  58          HB3       PHE  58  -0.344  -3.048   7.312
  436    HD1  PHE  58           HD1      PHE  58   2.970  -3.961   5.775
  437    HD2  PHE  58           HD2      PHE  58   0.867  -1.368   8.485
  438    HE1  PHE  58           HE1      PHE  58   5.031  -2.604   6.077
  439    HE2  PHE  58           HE2      PHE  58   2.914  -0.054   8.827
  440    HZ   PHE  58           HZ       PHE  58   5.006  -0.639   7.581
  441    H    GLU  59           H        GLU  59  -0.716  -4.182   9.340
  442    HA   GLU  59           HA       GLU  59   1.489  -3.666  11.052
  443   1HB   GLU  59          HB2       GLU  59  -1.524  -3.854  11.407
  444   2HB   GLU  59          HB3       GLU  59  -0.494  -3.601  12.809
  445   1HG   GLU  59          HG2       GLU  59  -0.489  -1.807  10.330
  446   2HG   GLU  59          HG3       GLU  59  -1.330  -1.479  11.848
  447    H    ASP  60           H        ASP  60  -0.878  -6.216  11.048
  448    HA   ASP  60           HA       ASP  60  -0.361  -7.995  13.025
  449   1HB   ASP  60          HB2       ASP  60  -2.135  -8.300  11.327
  450   2HB   ASP  60          HB3       ASP  60  -0.921  -8.447  10.068
  451    H    HIS  61           H        HIS  61   1.251  -8.011   9.821
  452    HA   HIS  61           HA       HIS  61   3.081 -10.090  10.416
  453   1HB   HIS  61          HB2       HIS  61   3.006  -7.904   8.335
  454   2HB   HIS  61          HB3       HIS  61   4.320  -9.081   8.406
  455    HD1  HIS  61           HD1      HIS  61   0.768 -10.410   9.143
  456    HD2  HIS  61           HD2      HIS  61   3.718 -10.204   6.138
  457    HE1  HIS  61           HE1      HIS  61   0.107 -12.069   7.350
  458    H    GLY  62           H        GLY  62   3.189  -7.072  11.948
  459   1HA   GLY  62          HA1       GLY  62   4.739  -6.358  13.461
  460   2HA   GLY  62          HA2       GLY  62   5.520  -7.934  13.287
  461    H    HIS  63           HN       HIS  63   5.061  -5.618  10.679
  462    HA   HIS  63           HA       HIS  63   7.617  -5.654   9.636
  463   1HB   HIS  63          HB2       HIS  63   5.342  -3.634   9.593
  464   2HB   HIS  63          HB3       HIS  63   6.850  -3.305   8.755
  465    HD1  HIS  63           HD1      HIS  63   3.838  -5.671   8.453
  466    HD2  HIS  63           HD2      HIS  63   7.449  -4.588   6.605
  467    HE1  HIS  63           HE1      HIS  63   3.793  -6.728   6.156
  468    H    SER  64           H        SER  64   9.505  -4.373   9.809
  469    HA   SER  64           HA       SER  64  10.066  -3.462  12.469
  470   1HB   SER  64          HB2       SER  64  11.833  -4.293  10.914
  471   2HB   SER  64          HB3       SER  64  11.663  -2.810   9.956
  472    HG   SER  64           HG       SER  64  12.973  -1.931  11.403
  473    H    THR  65           H        THR  65  10.834  -1.320  13.012
  474    HA   THR  65           HA       THR  65   8.899   0.757  12.652
  475    HB   THR  65           HB       THR  65  10.670   2.232  13.609
  476    HG1  THR  65           HG1      THR  65  12.334  -0.015  13.113
  477   1HG2  THR  65          HG21      THR  65  10.510  -0.469  15.032
  478   2HG2  THR  65          HG22      THR  65  10.916   1.097  15.757
  479   3HG2  THR  65          HG23      THR  65   9.287   0.820  15.111
  480    H    ASP  66           H        ASP  66  12.185   0.389  11.088
  481    HA   ASP  66           HA       ASP  66  12.145   2.437   9.304
  482   1HB   ASP  66          HB2       ASP  66  12.890  -0.394   8.408
  483   2HB   ASP  66          HB3       ASP  66  13.715   1.123   8.053
  484    H    ALA  67           H        ALA  67  10.407  -0.682   8.822
  485    HA   ALA  67           HA       ALA  67   9.518  -0.088   6.159
  486   1HB   ALA  67          HB1       ALA  67   7.969  -2.010   6.573
  487   2HB   ALA  67          HB2       ALA  67   9.685  -2.369   6.863
  488   3HB   ALA  67          HB3       ALA  67   8.599  -2.094   8.228
  489    H    ARG  68           H        ARG  68   8.238   0.236   9.436
  490    HA   ARG  68           HA       ARG  68   5.635   1.275   8.811
  491   1HB   ARG  68          HB2       ARG  68   7.299   0.684  11.156
  492   2HB   ARG  68          HB3       ARG  68   6.279   2.074  11.435
  493   1HG   ARG  68          HG2       ARG  68   4.317   0.783  10.969
  494   2HG   ARG  68          HG3       ARG  68   5.232  -0.517  10.177
  495   1HD   ARG  68          HD2       ARG  68   6.189  -1.189  12.312
  496   2HD   ARG  68          HD3       ARG  68   5.287   0.083  13.148
  497    HE   ARG  68           HE       ARG  68   3.178  -1.078  12.095
  498   1HH1  ARG  68          HH22      ARG  68   6.003  -3.146  12.818
  499   2HH1  ARG  68          HH21      ARG  68   5.052  -4.290  13.709
  500   1HH2  ARG  68          HH11      ARG  68   2.018  -2.646  13.345
  501   2HH2  ARG  68          HH12      ARG  68   2.667  -4.272  13.254
  502    H    GLU  69           H        GLU  69   8.493   3.203  10.047
  503    HA   GLU  69           HA       GLU  69   7.926   5.750   9.275
  504   1HB   GLU  69          HB2       GLU  69  10.442   4.076   8.818
  505   2HB   GLU  69          HB3       GLU  69  10.423   5.805   8.736
  506   1HG   GLU  69          HG2       GLU  69  10.145   4.030  11.163
  507   2HG   GLU  69          HG3       GLU  69  11.258   5.342  10.837
  508    H    LEU  70           H        LEU  70   9.287   3.307   7.022
  509    HA   LEU  70           HA       LEU  70   9.086   4.832   4.750
  510   1HB   LEU  70          HB2       LEU  70   9.293   1.934   5.279
  511   2HB   LEU  70          HB3       LEU  70   8.353   2.216   3.878
  512    HG   LEU  70           HG       LEU  70  10.424   1.961   2.989
  513   1HD1  LEU  70          HD11      LEU  70  11.081   3.940   1.958
  514   2HD1  LEU  70          HD12      LEU  70   9.419   4.324   2.465
  515   3HD1  LEU  70          HD13      LEU  70  10.799   4.931   3.395
  516   1HD2  LEU  70          HD21      LEU  70  11.676   1.768   5.037
  517   2HD2  LEU  70          HD22      LEU  70  12.533   2.855   3.931
  518   3HD2  LEU  70          HD23      LEU  70  11.618   3.527   5.302
  519    H    SER  71           H        SER  71   6.487   2.826   6.159
  520    HA   SER  71           HA       SER  71   4.612   3.299   4.050
  521   1HB   SER  71          HB2       SER  71   3.062   2.176   5.361
  522   2HB   SER  71          HB3       SER  71   4.567   1.538   6.008
  523    HG   SER  71           HG       SER  71   4.379   3.162   7.665
  524    H    LYS  72           H        LYS  72   5.550   5.269   6.807
  525    HA   LYS  72           HA       LYS  72   3.349   7.132   6.602
  526   1HB   LYS  72          HB2       LYS  72   6.189   7.910   7.391
  527   2HB   LYS  72          HB3       LYS  72   4.669   8.692   7.821
  528   1HG   LYS  72          HG2       LYS  72   4.019   6.641   9.081
  529   2HG   LYS  72          HG3       LYS  72   5.598   5.939   8.719
  530   1HD   LYS  72          HD2       LYS  72   6.713   7.924   9.736
  531   2HD   LYS  72          HD3       LYS  72   5.134   8.505  10.307
  532   1HE   LYS  72          HE2       LYS  72   4.884   6.549  11.768
  533   2HE   LYS  72          HE3       LYS  72   6.229   5.731  10.960
  534   1HZ   LYS  72          HZ1       LYS  72   7.656   7.565  11.734
  535   2HZ   LYS  72          HZ2       LYS  72   6.485   7.948  12.864
  536   3HZ   LYS  72          HZ3       LYS  72   7.263   6.456  12.757
  537    H    THR  73           H        THR  73   6.635   7.159   5.232
  538    HA   THR  73           HA       THR  73   6.059   9.537   3.688
  539    HB   THR  73           HB       THR  73   8.353   8.870   4.378
  540    HG1  THR  73           HG1      THR  73   7.779  10.445   2.711
  541   1HG2  THR  73          HG21      THR  73   9.694   7.540   2.780
  542   2HG2  THR  73          HG22      THR  73   8.510   6.587   3.674
  543   3HG2  THR  73          HG23      THR  73   8.207   7.005   1.972
  544    H    PHE  74           H        PHE  74   5.425   6.144   3.050
  545    HA   PHE  74           HA       PHE  74   4.876   6.507   0.212
  546   1HB   PHE  74          HB2       PHE  74   3.847   4.424   2.152
  547   2HB   PHE  74          HB3       PHE  74   3.760   4.341   0.405
  548    HD1  PHE  74           HD1      PHE  74   4.780   2.147   1.959
  549    HD2  PHE  74           HD2      PHE  74   6.838   5.491   0.194
  550    HE1  PHE  74           HE1      PHE  74   6.715   0.705   1.429
  551    HE2  PHE  74           HE2      PHE  74   8.862   4.109  -0.055
  552    HZ   PHE  74           HZ       PHE  74   8.864   1.752   0.763
  553    H    ILE  75           H        ILE  75   3.107   7.416   3.075
  554    HA   ILE  75           HA       ILE  75   0.497   7.182   2.035
  555    HB   ILE  75           HB       ILE  75   1.645   9.195   3.977
  556   1HG1  ILE  75          HG12      ILE  75  -0.433   7.003   4.315
  557   2HG1  ILE  75          HG13      ILE  75   1.257   6.670   4.330
  558   1HG2  ILE  75          HG21      ILE  75  -0.726   9.823   4.509
  559   2HG2  ILE  75          HG22      ILE  75  -0.236  10.381   2.917
  560   3HG2  ILE  75          HG23      ILE  75  -1.264   8.937   3.070
  561   1HD1  ILE  75          HD11      ILE  75   0.562   6.947   6.644
  562   2HD1  ILE  75          HD12      ILE  75   1.536   8.371   6.215
  563   3HD1  ILE  75          HD13      ILE  75  -0.222   8.495   6.283
  564    H    ILE  76           H        ILE  76  -0.579   8.057   0.457
  565    HA   ILE  76           HA       ILE  76   0.410  10.566  -0.887
  566    HB   ILE  76           HB       ILE  76  -0.579   9.448  -2.955
  567   1HG1  ILE  76          HG12      ILE  76  -0.156   6.843  -1.460
  568   2HG1  ILE  76          HG13      ILE  76  -1.734   7.643  -1.373
  569   1HG2  ILE  76          HG21      ILE  76   1.444   8.178  -3.433
  570   2HG2  ILE  76          HG22      ILE  76   1.819   9.695  -2.608
  571   3HG2  ILE  76          HG23      ILE  76   1.874   8.170  -1.713
  572   1HD1  ILE  76          HD11      ILE  76  -1.206   5.818  -3.199
  573   2HD1  ILE  76          HD12      ILE  76  -2.315   7.151  -3.481
  574   3HD1  ILE  76          HD13      ILE  76  -0.655   7.252  -4.111
  575    H    GLY  77           H        GLY  77  -2.249   9.200   0.833
  576   1HA   GLY  77          HA1       GLY  77  -4.386  11.042  -0.174
  577   2HA   GLY  77          HA2       GLY  77  -4.281   9.481  -0.968
  578    H    GLU  78           H        GLU  78  -6.537   9.714   0.162
  579    HA   GLU  78           HA       GLU  78  -6.314   7.610   2.102
  580   1HB   GLU  78          HB2       GLU  78  -8.261   9.894   2.656
  581   2HB   GLU  78          HB3       GLU  78  -7.884   8.525   3.705
  582   1HG   GLU  78          HG2       GLU  78  -5.515   9.367   3.977
  583   2HG   GLU  78          HG3       GLU  78  -5.955  10.835   3.127
  584    H    LEU  79           H        LEU  79  -8.099   6.396   2.239
  585    HA   LEU  79           HA       LEU  79  -9.673   5.878  -0.088
  586   1HB   LEU  79          HB2       LEU  79  -8.824   4.293   1.725
  587   2HB   LEU  79          HB3       LEU  79 -10.000   5.006   2.813
  588    HG   LEU  79           HG       LEU  79 -10.243   2.854   0.897
  589   1HD1  LEU  79          HD11      LEU  79 -12.312   4.015   2.799
  590   2HD1  LEU  79          HD12      LEU  79 -12.236   2.348   2.175
  591   3HD1  LEU  79          HD13      LEU  79 -10.998   2.909   3.315
  592   1HD2  LEU  79          HD21      LEU  79 -12.511   4.810   0.635
  593   2HD2  LEU  79          HD22      LEU  79 -11.303   4.466  -0.657
  594   3HD2  LEU  79          HD23      LEU  79 -12.366   3.189  -0.061
  595    H    HIS  80           H        HIS  80 -11.368   7.002  -0.740
  596    HA   HIS  80           HA       HIS  80 -12.212   9.113   0.624
  597   1HB   HIS  80          HB2       HIS  80 -12.471   8.689  -1.766
  598   2HB   HIS  80          HB3       HIS  80 -13.873   7.677  -1.434
  599    HD1  HIS  80           HD1      HIS  80 -16.105   9.182  -1.625
  600    HD2  HIS  80           HD2      HIS  80 -12.570  11.185  -0.589
  601    HE1  HIS  80           HE1      HIS  80 -16.741  11.647  -1.319
  602    HA   PRO  81           HA       PRO  81 -15.033   7.620   3.514
  603   1HB   PRO  81          HB2       PRO  81 -16.553  10.292   3.377
  604   2HB   PRO  81          HB3       PRO  81 -15.925   9.513   4.823
  605   1HG   PRO  81          HG2       PRO  81 -14.632  11.664   3.606
  606   2HG   PRO  81          HG3       PRO  81 -13.619  10.270   4.128
  607   1HD   PRO  81          HD2       PRO  81 -14.875  10.800   1.441
  608   2HD   PRO  81          HD3       PRO  81 -13.156  10.491   1.835
  609    H    ASP  82           H        ASP  82 -16.636   9.211   0.857
  610    HA   ASP  82           HA       ASP  82 -19.206   8.185   1.553
  611   1HB   ASP  82          HB2       ASP  82 -18.757  10.072  -0.081
  612   2HB   ASP  82          HB3       ASP  82 -18.191   8.859  -1.254
  613    H    ASP  83           H        ASP  83 -16.338   6.779   0.482
  614    HA   ASP  83           HA       ASP  83 -17.302   4.393  -0.894
  615   1HB   ASP  83          HB2       ASP  83 -14.828   6.026  -0.359
  616   2HB   ASP  83          HB3       ASP  83 -14.462   4.372  -0.608
  617    H    ARG  84           H        ARG  84 -14.616   4.107   1.190
  618    HA   ARG  84           HA       ARG  84 -14.242   2.728   2.984
  619   1HB   ARG  84          HB2       ARG  84 -14.271   5.009   3.601
  620   2HB   ARG  84          HB3       ARG  84 -15.988   5.040   3.796
  621   1HG   ARG  84          HG2       ARG  84 -14.841   2.981   5.540
  622   2HG   ARG  84          HG3       ARG  84 -13.886   4.466   5.650
  623   1HD   ARG  84          HD2       ARG  84 -15.777   4.320   7.345
  624   2HD   ARG  84          HD3       ARG  84 -15.853   5.749   6.299
  625    HE   ARG  84           HE       ARG  84 -17.279   3.243   5.549
  626   1HH1  ARG  84          HH22      ARG  84 -17.866   6.637   6.287
  627   2HH1  ARG  84          HH21      ARG  84 -18.362   6.885   4.627
  628   1HH2  ARG  84          HH11      ARG  84 -18.314   3.543   3.765
  629   2HH2  ARG  84          HH12      ARG  84 -19.147   5.016   3.370
  630    HHA  HEM 201           HGM      HEM 201   9.427  -9.001   5.487
  631    HHB  HEM 201           HDM      HEM 201   9.226  -2.697   4.132
  632    HHC  HEM 201           HAM      HEM 201   2.921  -3.168   3.022
  633    HHD  HEM 201           HBM      HEM 201   3.274  -9.593   3.669
  634   1HMA  HEM 201          HM81      HEM 201  12.393  -4.606   4.835
  635   2HMA  HEM 201          HM82      HEM 201  11.345  -3.263   4.393
  636   3HMA  HEM 201          HM83      HEM 201  11.473  -3.751   6.089
  637   1HAA  HEM 201          HP71      HEM 201  11.455  -8.126   5.908
  638   2HAA  HEM 201          HP72      HEM 201  12.293  -6.511   6.099
  639   1HBA  HEM 201          HP73      HEM 201  11.712  -7.503   8.255
  640   2HBA  HEM 201          HP74      HEM 201   9.941  -7.484   7.773
  641   1HMB  HEM 201          HM11      HEM 201   8.183  -0.523   2.691
  642   2HMB  HEM 201          HM12      HEM 201   6.877   0.231   3.647
  643   3HMB  HEM 201          HM13      HEM 201   8.145  -0.662   4.450
  644    HAB  HEM 201          HT2A      HEM 201   3.802  -1.340   1.815
  645   1HBB  HEM 201          HV2C      HEM 201   4.671   0.628   3.867
  646   2HBB  HEM 201          HV2T      HEM 201   2.913   0.251   3.271
  647   1HMC  HEM 201          HM31      HEM 201   0.872  -3.900   2.995
  648   2HMC  HEM 201          HM32      HEM 201   0.253  -5.323   2.141
  649   3HMC  HEM 201          HM33      HEM 201   0.061  -5.188   3.902
  650    HAC  HEM 201          HT4A      HEM 201   0.841  -8.668   4.292
  651   1HBC  HEM 201          HV4C      HEM 201   0.546  -8.013   1.322
  652   2HBC  HEM 201          HV4T      HEM 201  -0.008  -9.546   2.225
  653   1HMD  HEM 201          HM51      HEM 201   5.693 -12.397   3.598
  654   2HMD  HEM 201          HM52      HEM 201   4.903 -12.166   5.170
  655   3HMD  HEM 201          HM53      HEM 201   4.127 -11.602   3.678
  656   1HAD  HEM 201          HP61      HEM 201   7.621 -12.346   4.939
  657   2HAD  HEM 201          HP62      HEM 201   9.000 -11.180   4.679
  658   1HBD  HEM 201          HP63      HEM 201   8.144 -10.387   7.154
  659   2HBD  HEM 201          HP64      HEM 201   7.673 -12.157   7.178
  Start of MODEL   32
    1   1H    ALA   3          H1        ALA   3  -4.440  19.924   5.388
    2   2H    ALA   3          H2        ALA   3  -3.731  20.559   4.067
    3   3H    ALA   3          H3        ALA   3  -4.861  21.460   4.887
    4    HA   ALA   3           HA       ALA   3  -5.658  20.390   2.795
    5   1HB   ALA   3          HB1       ALA   3  -7.027  19.539   5.390
    6   2HB   ALA   3          HB2       ALA   3  -7.265  21.089   4.549
    7   3HB   ALA   3          HB3       ALA   3  -7.773  19.576   3.781
    8    H    VAL   4           H        VAL   4  -6.566  18.232   2.035
    9    HA   VAL   4           HA       VAL   4  -4.613  16.131   2.335
   10    HB   VAL   4           HB       VAL   4  -6.446  14.420   2.608
   11   1HG1  VAL   4          HG11      VAL   4  -6.056  16.034   5.113
   12   2HG1  VAL   4          HG12      VAL   4  -6.411  14.296   4.929
   13   3HG1  VAL   4          HG13      VAL   4  -4.854  14.926   4.391
   14   1HG2  VAL   4          HG21      VAL   4  -8.512  15.050   3.787
   15   2HG2  VAL   4          HG22      VAL   4  -8.102  16.759   3.651
   16   3HG2  VAL   4          HG23      VAL   4  -8.427  15.793   2.189
   17    H    LYS   5           H        LYS   5  -5.935  14.255   0.682
   18    HA   LYS   5           HA       LYS   5  -6.638  15.907  -1.739
   19   1HB   LYS   5          HB2       LYS   5  -4.333  14.931  -1.808
   20   2HB   LYS   5          HB3       LYS   5  -5.062  13.318  -1.718
   21   1HG   LYS   5          HG2       LYS   5  -6.361  13.802  -3.786
   22   2HG   LYS   5          HG3       LYS   5  -5.681  15.442  -3.834
   23   1HD   LYS   5          HD2       LYS   5  -3.377  14.440  -3.998
   24   2HD   LYS   5          HD3       LYS   5  -4.131  12.836  -4.034
   25   1HE   LYS   5          HE2       LYS   5  -5.463  13.650  -6.087
   26   2HE   LYS   5          HE3       LYS   5  -4.461  15.101  -6.081
   27   1HZ   LYS   5          HZ1       LYS   5  -2.541  13.745  -6.456
   28   2HZ   LYS   5          HZ2       LYS   5  -3.398  12.354  -6.301
   29   3HZ   LYS   5          HZ3       LYS   5  -3.673  13.350  -7.586
   30    H    TYR   6           H        TYR   6  -6.797  12.773  -0.034
   31    HA   TYR   6           HA       TYR   6  -8.058  11.073  -0.117
   32   1HB   TYR   6          HB2       TYR   6 -10.445  12.928  -0.587
   33   2HB   TYR   6          HB3       TYR   6 -10.415  11.236  -0.311
   34    HD1  TYR   6           HD1      TYR   6 -11.705  11.125   1.492
   35    HD2  TYR   6           HD2      TYR   6  -8.221  13.504   1.709
   36    HE1  TYR   6           HE1      TYR   6 -11.100  10.037   3.626
   37    HE2  TYR   6           HE2      TYR   6  -7.902  12.831   4.051
   38    HH   TYR   6           HH       TYR   6  -8.566  11.448   5.753
   39    H    TYR   7           H        TYR   7  -8.992   9.591  -1.158
   40    HA   TYR   7           HA       TYR   7  -9.031   9.510  -4.079
   41   1HB   TYR   7          HB2       TYR   7  -7.049   8.803  -2.016
   42   2HB   TYR   7          HB3       TYR   7  -7.525   7.388  -2.769
   43    HD1  TYR   7           HD1      TYR   7  -4.892   7.634  -2.928
   44    HD2  TYR   7           HD2      TYR   7  -7.493  10.265  -5.170
   45    HE1  TYR   7           HE1      TYR   7  -2.950   8.848  -3.840
   46    HE2  TYR   7           HE2      TYR   7  -5.591  11.416  -6.040
   47    HH   TYR   7           HH       TYR   7  -2.258  10.608  -5.000
   48    H    THR   8           H        THR   8 -10.267   8.034  -4.898
   49    HA   THR   8           HA       THR   8 -12.371   6.949  -3.103
   50    HB   THR   8           HB       THR   8 -13.514   6.773  -5.389
   51    HG1  THR   8           HG1      THR   8 -11.214   6.892  -6.350
   52   1HG2  THR   8          HG21      THR   8 -13.826   8.783  -3.929
   53   2HG2  THR   8          HG22      THR   8 -12.387   9.524  -4.678
   54   3HG2  THR   8          HG23      THR   8 -13.826   9.198  -5.660
   55    H    LEU   9           H        LEU   9 -12.752   4.711  -2.930
   56    HA   LEU   9           HA       LEU   9 -10.940   2.763  -3.648
   57   1HB   LEU   9          HB2       LEU   9 -12.467   2.179  -2.235
   58   2HB   LEU   9          HB3       LEU   9 -13.856   2.802  -3.135
   59    HG   LEU   9           HG       LEU   9 -12.239   0.345  -4.005
   60   1HD1  LEU   9          HD11      LEU   9 -14.594   0.414  -2.079
   61   2HD1  LEU   9          HD12      LEU   9 -13.859  -1.054  -2.764
   62   3HD1  LEU   9          HD13      LEU   9 -12.919  -0.019  -1.677
   63   1HD2  LEU   9          HD21      LEU   9 -15.149   1.193  -4.469
   64   2HD2  LEU   9          HD22      LEU   9 -13.884   1.114  -5.712
   65   3HD2  LEU   9          HD23      LEU   9 -14.464  -0.366  -4.963
   66    H    GLU  10           H        GLU  10 -13.522   4.012  -5.758
   67    HA   GLU  10           HA       GLU  10 -13.299   2.666  -8.098
   68   1HB   GLU  10          HB2       GLU  10 -14.613   4.736  -7.696
   69   2HB   GLU  10          HB3       GLU  10 -13.141   5.704  -7.748
   70   1HG   GLU  10          HG2       GLU  10 -14.278   5.928  -9.836
   71   2HG   GLU  10          HG3       GLU  10 -12.811   4.998 -10.142
   72    H    GLU  11           H        GLU  11 -11.051   5.305  -7.251
   73    HA   GLU  11           HA       GLU  11  -9.153   4.850  -9.400
   74   1HB   GLU  11          HB2       GLU  11  -8.864   6.273  -6.651
   75   2HB   GLU  11          HB3       GLU  11  -7.663   6.253  -7.871
   76   1HG   GLU  11          HG2       GLU  11 -10.418   7.327  -8.562
   77   2HG   GLU  11          HG3       GLU  11  -9.271   8.298  -7.621
   78    H    ILE  12           H        ILE  12  -9.308   4.069  -5.918
   79    HA   ILE  12           HA       ILE  12  -6.646   3.299  -5.888
   80    HB   ILE  12           HB       ILE  12  -8.844   2.438  -3.959
   81   1HG1  ILE  12          HG12      ILE  12  -6.774   4.588  -3.399
   82   2HG1  ILE  12          HG13      ILE  12  -8.216   5.019  -4.312
   83   1HG2  ILE  12          HG21      ILE  12  -6.681   2.366  -2.401
   84   2HG2  ILE  12          HG22      ILE  12  -7.209   0.978  -3.358
   85   3HG2  ILE  12          HG23      ILE  12  -5.887   2.016  -3.934
   86   1HD1  ILE  12          HD11      ILE  12  -9.634   4.216  -2.449
   87   2HD1  ILE  12          HD12      ILE  12  -8.180   3.811  -1.523
   88   3HD1  ILE  12          HD13      ILE  12  -8.520   5.489  -1.942
   89    H    GLN  13           H        GLU  13  -9.496   1.363  -6.529
   90    HA   GLN  13           HA       GLU  13  -8.549  -1.316  -6.332
   91   1HB   GLN  13          HB2       GLU  13 -10.361   0.152  -8.312
   92   2HB   GLN  13          HB3       GLU  13 -10.127  -1.593  -8.431
   93   1HG   GLN  13          HG2       GLU  13 -11.345  -1.972  -6.412
   94   2HG   GLN  13          HG3       GLU  13 -11.468  -0.242  -6.088
   95    H    LYS  14           H        LYS  14  -8.607   1.060  -8.789
   96    HA   LYS  14           HA       LYS  14  -7.740  -0.325 -11.069
   97   1HB   LYS  14          HB2       LYS  14  -8.834   2.174 -10.261
   98   2HB   LYS  14          HB3       LYS  14  -7.289   2.613 -10.834
   99   1HG   LYS  14          HG2       LYS  14  -8.958   2.775 -12.586
  100   2HG   LYS  14          HG3       LYS  14  -8.060   1.292 -12.999
  101   1HD   LYS  14          HD2       LYS  14 -10.260   0.463 -13.114
  102   2HD   LYS  14          HD3       LYS  14  -9.925   0.150 -11.410
  103   1HE   LYS  14          HE2       LYS  14 -10.908   2.732 -11.276
  104   2HE   LYS  14          HE3       LYS  14 -11.749   2.151 -12.690
  105   1HZ   LYS  14          HZ1       LYS  14 -13.018   1.808 -10.768
  106   2HZ   LYS  14          HZ2       LYS  14 -12.647   0.326 -11.321
  107   3HZ   LYS  14          HZ3       LYS  14 -11.945   0.894  -9.972
  108    H    HIS  15           H        HIS  15  -6.042   1.605  -8.617
  109    HA   HIS  15           HA       HIS  15  -3.385   1.157  -9.809
  110   1HB   HIS  15          HB2       HIS  15  -4.468   2.620  -7.408
  111   2HB   HIS  15          HB3       HIS  15  -2.745   2.221  -7.614
  112    HD1  HIS  15           HD1      HIS  15  -1.358   3.768  -8.999
  113    HD2  HIS  15           HD2      HIS  15  -5.480   4.153  -9.678
  114    HE1  HIS  15           HE1      HIS  15  -1.648   5.712 -10.659
  115    H    ASN  16           H        ASN  16  -3.934  -1.153  -9.814
  116    HA   ASN  16           HA       ASN  16  -2.484  -2.394  -7.484
  117   1HB   ASN  16          HB2       ASN  16  -3.724  -4.405  -7.652
  118   2HB   ASN  16          HB3       ASN  16  -4.918  -3.114  -7.629
  119   1HD2  ASN  16          HD21      ASN  16  -6.201  -2.768  -9.511
  120   2HD2  ASN  16          HD22      ASN  16  -6.142  -3.843 -10.904
  121    H    ASN  17           H        ASN  17  -1.896  -1.383 -10.495
  122    HA   ASN  17           HA       ASN  17  -0.113  -3.582 -11.219
  123   1HB   ASN  17          HB2       ASN  17  -2.570  -4.034 -12.042
  124   2HB   ASN  17          HB3       ASN  17  -2.273  -2.735 -13.193
  125   1HD2  ASN  17          HD21      ASN  17  -1.491  -3.519 -15.186
  126   2HD2  ASN  17          HD22      ASN  17  -0.586  -5.008 -15.345
  127    H    SER  18           H        SER  18   0.130  -2.580 -13.935
  128    HA   SER  18           HA       SER  18   2.219  -0.729 -13.374
  129   1HB   SER  18          HB2       SER  18   2.252  -2.367 -15.251
  130   2HB   SER  18          HB3       SER  18   0.984  -1.422 -16.073
  131    HG   SER  18           HG       SER  18   3.157  -0.856 -16.702
  132    H    LYS  19           H        LYS  19   1.820   1.219 -12.771
  133    HA   LYS  19           HA       LYS  19   0.910   3.438 -13.863
  134   1HB   LYS  19          HB2       LYS  19  -1.338   3.897 -13.067
  135   2HB   LYS  19          HB3       LYS  19  -1.271   2.616 -14.269
  136   1HG   LYS  19          HG2       LYS  19  -1.601   0.938 -12.345
  137   2HG   LYS  19          HG3       LYS  19  -1.866   2.351 -11.321
  138   1HD   LYS  19          HD2       LYS  19  -4.021   1.972 -11.872
  139   2HD   LYS  19          HD3       LYS  19  -3.618   3.061 -13.177
  140   1HE   LYS  19          HE2       LYS  19  -3.681  -0.011 -13.261
  141   2HE   LYS  19          HE3       LYS  19  -4.894   1.073 -13.944
  142   1HZ   LYS  19          HZ1       LYS  19  -3.186   1.899 -15.454
  143   2HZ   LYS  19          HZ2       LYS  19  -2.092   0.831 -14.853
  144   3HZ   LYS  19          HZ3       LYS  19  -3.426   0.282 -15.641
  145    H    SER  20           H        SER  20   0.104   1.577 -10.979
  146    HA   SER  20           HA       SER  20   2.171   2.153  -9.466
  147   1HB   SER  20          HB2       SER  20   0.490   4.560  -9.367
  148   2HB   SER  20          HB3       SER  20   0.596   3.778  -7.788
  149    HG   SER  20           HG       SER  20   2.302   4.901  -7.736
  150    H    THR  21           H        THR  21   2.081   1.104  -7.520
  151    HA   THR  21           HA       THR  21  -0.226  -0.626  -6.947
  152    HB   THR  21           HB       THR  21   2.470  -0.340  -5.563
  153    HG1  THR  21           HG1      THR  21   3.117  -1.971  -6.886
  154   1HG2  THR  21          HG21      THR  21   2.036  -2.647  -4.791
  155   2HG2  THR  21          HG22      THR  21   0.758  -1.573  -4.234
  156   3HG2  THR  21          HG23      THR  21   0.475  -2.623  -5.643
  157    H    TRP  22           H        TRP  22  -1.876   0.618  -5.958
  158    HA   TRP  22           HA       TRP  22  -1.240   2.390  -3.658
  159   1HB   TRP  22          HB2       TRP  22  -3.584   1.965  -5.473
  160   2HB   TRP  22          HB3       TRP  22  -3.794   2.791  -3.982
  161    HD1  TRP  22           HD1      TRP  22  -0.480   3.551  -5.560
  162    HE1  TRP  22           HE1      TRP  22  -0.414   5.761  -6.708
  163    HE3  TRP  22           HE3      TRP  22  -5.363   4.708  -5.025
  164    HZ2  TRP  22           HZ2      TRP  22  -2.483   7.740  -7.687
  165    HZ3  TRP  22           HZ3      TRP  22  -6.345   6.718  -6.084
  166    HH2  TRP  22           HH2      TRP  22  -4.991   8.132  -7.546
  167    H    LEU  23           H        LEU  23  -1.925   1.818  -1.519
  168    HA   LEU  23           HA       LEU  23  -3.918  -0.343  -1.238
  169   1HB   LEU  23          HB2       LEU  23  -1.813  -0.769   0.724
  170   2HB   LEU  23          HB3       LEU  23  -2.627  -1.897  -0.267
  171    HG   LEU  23           HG       LEU  23  -0.868  -0.854  -2.135
  172   1HD1  LEU  23          HD11      LEU  23   1.195  -0.313  -1.089
  173   2HD1  LEU  23          HD12      LEU  23  -0.043   0.724  -0.356
  174   3HD1  LEU  23          HD13      LEU  23   0.565  -0.702   0.536
  175   1HD2  LEU  23          HD21      LEU  23  -0.002  -2.884  -0.089
  176   2HD2  LEU  23          HD22      LEU  23  -0.976  -3.247  -1.538
  177   3HD2  LEU  23          HD23      LEU  23   0.661  -2.568  -1.713
  178    H    ILE  24           H        ILE  24  -4.808  -0.441   0.963
  179    HA   ILE  24           HA       ILE  24  -4.564   2.195   2.352
  180    HB   ILE  24           HB       ILE  24  -6.714   0.338   3.229
  181   1HG1  ILE  24          HG12      ILE  24  -6.868  -0.030   0.754
  182   2HG1  ILE  24          HG13      ILE  24  -8.278   0.548   1.597
  183   1HG2  ILE  24          HG21      ILE  24  -8.014   2.374   3.370
  184   2HG2  ILE  24          HG22      ILE  24  -6.447   2.505   4.190
  185   3HG2  ILE  24          HG23      ILE  24  -6.684   3.292   2.621
  186   1HD1  ILE  24          HD11      ILE  24  -7.925   1.614  -0.595
  187   2HD1  ILE  24          HD12      ILE  24  -7.866   2.824   0.693
  188   3HD1  ILE  24          HD13      ILE  24  -6.350   2.244  -0.051
  189    H    LEU  25           H        LEU  25  -3.704   2.392   4.211
  190    HA   LEU  25           HA       LEU  25  -3.397   0.067   6.054
  191   1HB   LEU  25          HB2       LEU  25  -1.260   1.728   4.846
  192   2HB   LEU  25          HB3       LEU  25  -1.106   1.330   6.555
  193    HG   LEU  25           HG       LEU  25  -1.124  -1.036   6.021
  194   1HD1  LEU  25          HD11      LEU  25  -0.557  -1.609   3.525
  195   2HD1  LEU  25          HD12      LEU  25  -2.212  -1.511   4.075
  196   3HD1  LEU  25          HD13      LEU  25  -1.492  -0.142   3.168
  197   1HD2  LEU  25          HD21      LEU  25   0.905   0.608   4.423
  198   2HD2  LEU  25          HD22      LEU  25   1.017   0.220   6.153
  199   3HD2  LEU  25          HD23      LEU  25   1.141  -1.068   4.939
  200    H    HIS  26           H        HIS  26  -5.101   0.954   7.258
  201    HA   HIS  26           HA       HIS  26  -6.004   2.175   8.951
  202   1HB   HIS  26          HB2       HIS  26  -3.582   3.995   9.101
  203   2HB   HIS  26          HB3       HIS  26  -4.740   3.583  10.353
  204    HD1  HIS  26           HD1      HIS  26  -4.392   1.071  11.478
  205    HD2  HIS  26           HD2      HIS  26  -1.448   2.444   8.795
  206    HE1  HIS  26           HE1      HIS  26  -2.370  -0.441  11.769
  207    H    TYR  27           H        TYR  27  -6.856   2.665   6.506
  208    HA   TYR  27           HA       TYR  27  -8.103   4.012   5.258
  209   1HB   TYR  27          HB2       TYR  27  -8.045   5.940   7.596
  210   2HB   TYR  27          HB3       TYR  27  -9.103   6.047   6.199
  211    HD1  TYR  27           HD1      TYR  27 -10.238   3.500   5.672
  212    HD2  TYR  27           HD2      TYR  27  -9.304   5.288   9.489
  213    HE1  TYR  27           HE1      TYR  27 -12.091   2.264   6.691
  214    HE2  TYR  27           HE2      TYR  27 -11.187   4.042  10.511
  215    HH   TYR  27           HH       TYR  27 -13.313   1.883   8.621
  216    H    LYS  28           H        LYS  28  -5.188   5.620   6.442
  217    HA   LYS  28           HA       LYS  28  -4.966   7.440   4.212
  218   1HB   LYS  28          HB2       LYS  28  -2.996   6.037   6.053
  219   2HB   LYS  28          HB3       LYS  28  -2.434   6.986   4.673
  220   1HG   LYS  28          HG2       LYS  28  -4.079   8.015   7.023
  221   2HG   LYS  28          HG3       LYS  28  -2.348   8.239   6.724
  222   1HD   LYS  28          HD2       LYS  28  -3.235   9.183   4.374
  223   2HD   LYS  28          HD3       LYS  28  -4.708   9.451   5.349
  224   1HE   LYS  28          HE2       LYS  28  -3.633  11.010   6.769
  225   2HE   LYS  28          HE3       LYS  28  -2.012  10.509   6.255
  226   1HZ   LYS  28          HZ1       LYS  28  -2.675  12.605   5.251
  227   2HZ   LYS  28          HZ2       LYS  28  -2.416  11.463   4.104
  228   3HZ   LYS  28          HZ3       LYS  28  -3.918  11.912   4.453
  229    H    VAL  29           H        VAL  29  -3.629   7.126   2.308
  230    HA   VAL  29           HA       VAL  29  -3.756   4.358   1.214
  231    HB   VAL  29           HB       VAL  29  -4.287   6.968  -0.227
  232   1HG1  VAL  29          HG11      VAL  29  -3.119   5.419  -1.726
  233   2HG1  VAL  29          HG12      VAL  29  -4.213   4.106  -1.243
  234   3HG1  VAL  29          HG13      VAL  29  -4.842   5.510  -2.128
  235   1HG2  VAL  29          HG21      VAL  29  -6.068   4.534   0.161
  236   2HG2  VAL  29          HG22      VAL  29  -6.174   5.949   1.209
  237   3HG2  VAL  29          HG23      VAL  29  -6.518   6.105  -0.532
  238    H    TYR  30           H        TYR  30  -1.995   3.619   0.167
  239    HA   TYR  30           HA       TYR  30   0.557   5.116   0.578
  240   1HB   TYR  30          HB2       TYR  30  -0.458   2.302   1.128
  241   2HB   TYR  30          HB3       TYR  30   1.239   2.631   1.152
  242    HD1  TYR  30           HD1      TYR  30   2.163   3.754   3.203
  243    HD2  TYR  30           HD2      TYR  30  -2.082   3.375   2.630
  244    HE1  TYR  30           HE1      TYR  30   1.735   4.493   5.572
  245    HE2  TYR  30           HE2      TYR  30  -2.461   4.271   4.860
  246    HH   TYR  30           HH       TYR  30  -1.504   4.306   6.933
  247    H    ASP  31           H        ASP  31   1.934   5.082  -1.254
  248    HA   ASP  31           HA       ASP  31   1.153   3.269  -3.494
  249   1HB   ASP  31          HB2       ASP  31   1.009   5.778  -3.866
  250   2HB   ASP  31          HB3       ASP  31   2.781   5.787  -3.809
  251    H    LEU  32           H        LEU  32   2.731   1.843  -4.165
  252    HA   LEU  32           HA       LEU  32   5.513   2.431  -3.736
  253   1HB   LEU  32          HB2       LEU  32   6.020   0.356  -2.351
  254   2HB   LEU  32          HB3       LEU  32   5.457   1.824  -1.590
  255    HG   LEU  32           HG       LEU  32   3.159   0.147  -2.146
  256   1HD1  LEU  32          HD11      LEU  32   4.814  -1.722  -1.825
  257   2HD1  LEU  32          HD12      LEU  32   5.386  -0.938  -0.320
  258   3HD1  LEU  32          HD13      LEU  32   3.731  -1.534  -0.424
  259   1HD2  LEU  32          HD21      LEU  32   3.330   2.074  -0.504
  260   2HD2  LEU  32          HD22      LEU  32   2.809   0.568   0.281
  261   3HD2  LEU  32          HD23      LEU  32   4.495   1.073   0.396
  262    H    THR  33           H        THR  33   5.643   2.173  -5.850
  263    HA   THR  33           HA       THR  33   5.331  -0.433  -7.217
  264    HB   THR  33           HB       THR  33   6.411   1.101  -9.046
  265    HG1  THR  33           HG1      THR  33   6.221   3.384  -8.382
  266   1HG2  THR  33          HG21      THR  33   3.951   0.776  -8.850
  267   2HG2  THR  33          HG22      THR  33   3.876   2.172  -7.735
  268   3HG2  THR  33          HG23      THR  33   4.396   2.405  -9.419
  269    H    LYS  34           H        LYS  34   7.925   1.671  -5.891
  270    HA   LYS  34           HA       LYS  34  10.018   0.024  -7.071
  271   1HB   LYS  34          HB2       LYS  34   9.925   2.316  -5.101
  272   2HB   LYS  34          HB3       LYS  34  11.296   1.239  -5.028
  273   1HG   LYS  34          HG2       LYS  34  11.094   1.784  -7.802
  274   2HG   LYS  34          HG3       LYS  34  10.644   3.290  -7.011
  275   1HD   LYS  34          HD2       LYS  34  12.949   3.524  -7.165
  276   2HD   LYS  34          HD3       LYS  34  12.796   2.892  -5.530
  277   1HE   LYS  34          HE2       LYS  34  13.632   1.421  -8.078
  278   2HE   LYS  34          HE3       LYS  34  14.620   1.735  -6.642
  279   1HZ   LYS  34          HZ1       LYS  34  13.162   0.131  -5.440
  280   2HZ   LYS  34          HZ2       LYS  34  12.340  -0.118  -6.877
  281   3HZ   LYS  34          HZ3       LYS  34  13.845  -0.554  -6.789
  282    H    PHE  35           H        PHE  35   8.316   0.143  -3.970
  283    HA   PHE  35           HA       PHE  35  10.351  -1.358  -2.656
  284   1HB   PHE  35          HB2       PHE  35   8.383   0.194  -1.651
  285   2HB   PHE  35          HB3       PHE  35   7.519  -1.335  -1.613
  286    HD1  PHE  35           HD1      PHE  35  10.697   0.386  -0.645
  287    HD2  PHE  35           HD2      PHE  35   8.189  -3.033   0.097
  288    HE1  PHE  35           HE1      PHE  35  12.179  -0.283   1.182
  289    HE2  PHE  35           HE2      PHE  35   9.782  -3.762   1.868
  290    HZ   PHE  35           HZ       PHE  35  11.721  -2.362   2.465
  291    H    LEU  36           H        LEU  36   7.492  -2.258  -4.386
  292    HA   LEU  36           HA       LEU  36   7.101  -4.937  -4.309
  293   1HB   LEU  36          HB2       LEU  36   8.018  -3.248  -6.675
  294   2HB   LEU  36          HB3       LEU  36   7.213  -4.758  -6.843
  295    HG   LEU  36           HG       LEU  36   5.965  -2.232  -5.961
  296   1HD1  LEU  36          HD11      LEU  36   6.225  -2.949  -8.387
  297   2HD1  LEU  36          HD12      LEU  36   5.298  -4.407  -8.003
  298   3HD1  LEU  36          HD13      LEU  36   4.534  -2.807  -7.899
  299   1HD2  LEU  36          HD21      LEU  36   5.084  -3.788  -4.330
  300   2HD2  LEU  36          HD22      LEU  36   3.877  -3.594  -5.607
  301   3HD2  LEU  36          HD23      LEU  36   4.881  -5.047  -5.572
  302    H    GLU  37           H        GLU  37  10.097  -3.447  -5.676
  303    HA   GLU  37           HA       GLU  37  11.424  -5.896  -6.352
  304   1HB   GLU  37          HB2       GLU  37  12.433  -3.097  -5.669
  305   2HB   GLU  37          HB3       GLU  37  13.425  -4.338  -6.368
  306   1HG   GLU  37          HG2       GLU  37  12.304  -4.206  -8.477
  307   2HG   GLU  37          HG3       GLU  37  10.891  -3.391  -7.777
  308    H    GLU  38           H        GLU  38  11.691  -3.619  -3.654
  309    HA   GLU  38           HA       GLU  38  13.921  -4.897  -2.387
  310   1HB   GLU  38          HB2       GLU  38  12.003  -2.686  -1.541
  311   2HB   GLU  38          HB3       GLU  38  13.503  -3.063  -0.702
  312   1HG   GLU  38          HG2       GLU  38  14.844  -2.154  -2.338
  313   2HG   GLU  38          HG3       GLU  38  13.775  -2.579  -3.665
  314    H    HIS  39           HN       HIS  39  10.481  -5.251  -2.102
  315    HA   HIS  39           HA       HIS  39  10.212  -5.786   0.580
  316   1HB   HIS  39          HB2       HIS  39   8.415  -5.187  -1.017
  317   2HB   HIS  39          HB3       HIS  39   8.476  -6.814  -1.702
  318    HD1  HIS  39           HD1      HIS  39   6.371  -8.085  -0.684
  319    HD2  HIS  39           HD2      HIS  39   8.269  -5.355   1.924
  320    HE1  HIS  39           HE1      HIS  39   5.132  -8.159   1.492
  321    HA   PRO  40           HA       PRO  40  11.834 -10.060   0.892
  322   1HB   PRO  40          HB2       PRO  40  10.371  -9.703   3.521
  323   2HB   PRO  40          HB3       PRO  40  11.924 -10.534   3.214
  324   1HG   PRO  40          HG2       PRO  40  11.979  -8.016   4.184
  325   2HG   PRO  40          HG3       PRO  40  13.023  -8.417   2.792
  326   1HD   PRO  40          HD2       PRO  40  10.302  -7.072   2.733
  327   2HD   PRO  40          HD3       PRO  40  11.828  -6.573   1.946
  328    H    GLY  41           H        GLY  41   8.497  -9.049   1.807
  329   1HA   GLY  41          HA1       GLY  41   7.206 -11.597   1.494
  330   2HA   GLY  41          HA2       GLY  41   6.463 -10.050   1.459
  331    H    GLY  42           H        GLY  42   8.632  -9.526  -0.961
  332   1HA   GLY  42          HA1       GLY  42   8.623  -9.741  -3.233
  333   2HA   GLY  42          HA2       GLY  42   7.415 -11.034  -3.124
  334    H    GLU  43           H        GLU  43   7.112  -9.494  -5.155
  335    HA   GLU  43           HA       GLU  43   5.602  -7.048  -4.707
  336   1HB   GLU  43          HB2       GLU  43   7.072  -6.911  -6.439
  337   2HB   GLU  43          HB3       GLU  43   6.801  -8.494  -7.052
  338   1HG   GLU  43          HG2       GLU  43   4.564  -6.530  -7.364
  339   2HG   GLU  43          HG3       GLU  43   5.961  -6.545  -8.455
  340    H    GLU  44           H        GLU  44   4.838 -10.052  -6.510
  341    HA   GLU  44           HA       GLU  44   2.424 -10.134  -6.960
  342   1HB   GLU  44          HB2       GLU  44   3.543 -12.356  -5.171
  343   2HB   GLU  44          HB3       GLU  44   2.136 -12.499  -6.232
  344   1HG   GLU  44          HG2       GLU  44   3.605 -12.007  -8.196
  345   2HG   GLU  44          HG3       GLU  44   5.011 -11.993  -7.117
  346    H    VAL  45           H        VAL  45   3.190 -10.865  -3.547
  347    HA   VAL  45           HA       VAL  45   0.540 -10.879  -2.543
  348    HB   VAL  45           HB       VAL  45   1.475 -11.021  -0.414
  349   1HG1  VAL  45          HG11      VAL  45   3.942 -11.766  -2.021
  350   2HG1  VAL  45          HG12      VAL  45   3.386 -12.463  -0.504
  351   3HG1  VAL  45          HG13      VAL  45   2.465 -12.780  -1.993
  352   1HG2  VAL  45          HG21      VAL  45   3.927  -9.459  -1.313
  353   2HG2  VAL  45          HG22      VAL  45   2.679  -8.905  -0.175
  354   3HG2  VAL  45          HG23      VAL  45   3.735 -10.236   0.267
  355    H    LEU  46           H        LEU  46   2.816  -8.175  -2.954
  356    HA   LEU  46           HA       LEU  46   1.277  -6.258  -1.434
  357   1HB   LEU  46          HB2       LEU  46   3.687  -6.240  -3.220
  358   2HB   LEU  46          HB3       LEU  46   2.700  -4.792  -3.318
  359    HG   LEU  46           HG       LEU  46   4.596  -4.714  -1.703
  360   1HD1  LEU  46          HD11      LEU  46   3.311  -3.638   0.105
  361   2HD1  LEU  46          HD12      LEU  46   2.739  -3.178  -1.521
  362   3HD1  LEU  46          HD13      LEU  46   1.814  -4.332  -0.533
  363   1HD2  LEU  46          HD21      LEU  46   2.887  -6.522   0.060
  364   2HD2  LEU  46          HD22      LEU  46   4.322  -7.046  -0.841
  365   3HD2  LEU  46          HD23      LEU  46   4.444  -5.773   0.415
  366    H    ARG  47           H        ARG  47   1.451  -7.251  -4.851
  367    HA   ARG  47           HA       ARG  47  -0.369  -5.100  -5.547
  368   1HB   ARG  47          HB2       ARG  47   0.813  -7.347  -7.189
  369   2HB   ARG  47          HB3       ARG  47  -0.303  -6.107  -7.780
  370   1HG   ARG  47          HG2       ARG  47   1.424  -4.426  -6.551
  371   2HG   ARG  47          HG3       ARG  47   2.518  -5.796  -6.685
  372   1HD   ARG  47          HD2       ARG  47   1.093  -4.265  -8.915
  373   2HD   ARG  47          HD3       ARG  47   2.810  -4.270  -8.555
  374    HE   ARG  47           HE       ARG  47   3.044  -6.539  -9.268
  375   1HH1  ARG  47          HH22      ARG  47  -0.328  -5.432  -9.866
  376   2HH1  ARG  47          HH21      ARG  47  -0.381  -6.308 -11.369
  377   1HH2  ARG  47          HH11      ARG  47   2.682  -8.044 -10.608
  378   2HH2  ARG  47          HH12      ARG  47   1.204  -8.227 -11.568
  379    H    GLU  48           H        GLU  48  -0.669  -8.574  -5.221
  380    HA   GLU  48           HA       GLU  48  -3.380  -9.028  -5.728
  381   1HB   GLU  48          HB2       GLU  48  -1.688 -10.722  -5.081
  382   2HB   GLU  48          HB3       GLU  48  -1.602 -10.019  -3.466
  383   1HG   GLU  48          HG2       GLU  48  -2.940 -12.030  -3.373
  384   2HG   GLU  48          HG3       GLU  48  -4.047 -10.673  -3.145
  385    H    GLN  49           H        GLN  49  -1.863  -7.674  -2.737
  386    HA   GLN  49           HA       GLN  49  -4.447  -7.136  -1.453
  387   1HB   GLN  49          HB2       GLN  49  -1.530  -6.802  -0.826
  388   2HB   GLN  49          HB3       GLN  49  -2.602  -5.587  -0.170
  389   1HG   GLN  49          HG2       GLN  49  -2.334  -7.233   1.454
  390   2HG   GLN  49          HG3       GLN  49  -4.004  -7.309   0.909
  391   1HE2  GLN  49          HE21      GLN  49  -3.887  -9.040  -1.328
  392   2HE2  GLN  49          HE22      GLN  49  -3.237 -10.576  -0.812
  393    H    ALA  50           H        ALA  50  -2.165  -5.343  -3.448
  394    HA   ALA  50           HA       ALA  50  -3.093  -2.779  -2.822
  395   1HB   ALA  50          HB1       ALA  50  -1.000  -3.262  -4.055
  396   2HB   ALA  50          HB2       ALA  50  -1.973  -3.668  -5.504
  397   3HB   ALA  50          HB3       ALA  50  -1.965  -2.025  -4.873
  398    H    GLY  51           H        GLY  51  -4.111  -1.277  -4.557
  399   1HA   GLY  51          HA1       GLY  51  -6.292  -0.597  -4.648
  400   2HA   GLY  51          HA2       GLY  51  -6.352  -1.692  -6.020
  401    H    GLY  52           H        GLY  52  -5.899  -1.818  -2.445
  402   1HA   GLY  52          HA1       GLY  52  -8.526  -2.263  -1.696
  403   2HA   GLY  52          HA2       GLY  52  -7.700  -3.847  -1.816
  404    H    ASP  53           H        ASP  53  -8.457  -3.109   0.490
  405    HA   ASP  53           HA       ASP  53  -6.607  -1.684   2.215
  406   1HB   ASP  53          HB2       ASP  53  -8.901  -1.943   2.968
  407   2HB   ASP  53          HB3       ASP  53  -8.781  -3.712   2.846
  408    H    ALA  54           H        ALA  54  -4.954  -2.357   3.397
  409    HA   ALA  54           HA       ALA  54  -4.527  -5.257   3.788
  410   1HB   ALA  54          HB1       ALA  54  -2.232  -5.257   3.073
  411   2HB   ALA  54          HB2       ALA  54  -3.196  -4.581   1.758
  412   3HB   ALA  54          HB3       ALA  54  -2.245  -3.500   2.792
  413    H    THR  55           H        THR  55  -5.392  -2.861   5.408
  414    HA   THR  55           HA       THR  55  -3.308  -1.997   7.042
  415    HB   THR  55           HB       THR  55  -6.256  -2.219   7.868
  416    HG1  THR  55           HG1      THR  55  -6.059  -1.103   5.926
  417   1HG2  THR  55          HG21      THR  55  -3.939  -0.423   8.706
  418   2HG2  THR  55          HG22      THR  55  -5.636  -0.218   9.223
  419   3HG2  THR  55          HG23      THR  55  -4.724  -1.645   9.732
  420    H    GLU  56           H        GLU  56  -5.785  -4.508   8.061
  421    HA   GLU  56           HA       GLU  56  -4.566  -5.080  10.506
  422   1HB   GLU  56          HB2       GLU  56  -6.265  -6.854   8.663
  423   2HB   GLU  56          HB3       GLU  56  -5.913  -7.154  10.365
  424   1HG   GLU  56          HG2       GLU  56  -7.004  -4.941  10.923
  425   2HG   GLU  56          HG3       GLU  56  -7.506  -4.803   9.227
  426    H    ASN  57           H        ASN  57  -4.265  -6.596   7.306
  427    HA   ASN  57           HA       ASN  57  -2.316  -8.525   7.749
  428   1HB   ASN  57          HB2       ASN  57  -3.071  -8.569   5.613
  429   2HB   ASN  57          HB3       ASN  57  -3.130  -6.819   5.425
  430   1HD2  ASN  57          HD21      ASN  57  -1.217  -5.629   4.944
  431   2HD2  ASN  57          HD22      ASN  57   0.172  -6.470   4.231
  432    H    PHE  58           H        PHE  58  -1.709  -4.976   7.280
  433    HA   PHE  58           HA       PHE  58   1.120  -5.278   7.152
  434   1HB   PHE  58          HB2       PHE  58  -0.100  -3.288   6.367
  435   2HB   PHE  58          HB3       PHE  58  -0.513  -2.870   8.026
  436    HD1  PHE  58           HD1      PHE  58   2.473  -3.540   5.820
  437    HD2  PHE  58           HD2      PHE  58   0.907  -1.397   9.227
  438    HE1  PHE  58           HE1      PHE  58   4.546  -2.183   5.925
  439    HE2  PHE  58           HE2      PHE  58   2.967  -0.029   9.302
  440    HZ   PHE  58           HZ       PHE  58   4.800  -0.425   7.672
  441    H    GLU  59           H        GLU  59  -1.064  -4.486   9.869
  442    HA   GLU  59           HA       GLU  59   0.935  -4.349  11.918
  443   1HB   GLU  59          HB2       GLU  59  -2.049  -5.047  11.939
  444   2HB   GLU  59          HB3       GLU  59  -1.092  -4.884  13.405
  445   1HG   GLU  59          HG2       GLU  59  -1.476  -2.681  11.329
  446   2HG   GLU  59          HG3       GLU  59  -2.345  -2.814  12.868
  447    H    ASP  60           H        ASP  60  -1.062  -6.966  10.729
  448    HA   ASP  60           HA       ASP  60  -0.604  -9.021  12.513
  449   1HB   ASP  60          HB2       ASP  60  -2.318  -8.926  10.610
  450   2HB   ASP  60          HB3       ASP  60  -0.982  -9.221   9.499
  451    H    HIS  61           H        HIS  61   1.153  -8.241   9.514
  452    HA   HIS  61           HA       HIS  61   3.187 -10.274   9.887
  453   1HB   HIS  61          HB2       HIS  61   2.872  -7.904   8.048
  454   2HB   HIS  61          HB3       HIS  61   4.304  -8.945   7.990
  455    HD1  HIS  61           HD1      HIS  61   0.495  -9.181   7.418
  456    HD2  HIS  61           HD2      HIS  61   4.076 -11.315   6.858
  457    HE1  HIS  61           HE1      HIS  61  -0.082 -11.219   5.982
  458    H    GLY  62           H        GLY  62   2.802  -7.538  11.765
  459   1HA   GLY  62          HA1       GLY  62   4.181  -6.491  13.231
  460   2HA   GLY  62          HA2       GLY  62   5.220  -7.917  13.080
  461    H    HIS  63           HN       HIS  63   4.396  -5.476  10.611
  462    HA   HIS  63           HA       HIS  63   6.958  -5.334   9.536
  463   1HB   HIS  63          HB2       HIS  63   4.530  -3.524   9.435
  464   2HB   HIS  63          HB3       HIS  63   6.023  -3.054   8.630
  465    HD1  HIS  63           HD1      HIS  63   3.212  -5.586   8.234
  466    HD2  HIS  63           HD2      HIS  63   6.924  -4.495   6.618
  467    HE1  HIS  63           HE1      HIS  63   3.369  -6.731   5.944
  468    H    SER  64           H        SER  64   8.775  -4.091   9.759
  469    HA   SER  64           HA       SER  64   9.342  -3.314  12.385
  470   1HB   SER  64          HB2       SER  64  11.540  -2.906  11.646
  471   2HB   SER  64          HB3       SER  64  10.962  -4.167  10.559
  472    HG   SER  64           HG       SER  64  11.978  -1.857   9.952
  473    H    THR  65           H        THR  65  10.529  -1.230  12.923
  474    HA   THR  65           HA       THR  65   9.105   1.188  12.866
  475    HB   THR  65           HB       THR  65  11.751   1.856  13.154
  476    HG1  THR  65           HG1      THR  65  12.594  -0.207  12.422
  477   1HG2  THR  65          HG21      THR  65  10.108   1.833  14.999
  478   2HG2  THR  65          HG22      THR  65  10.248   0.063  15.116
  479   3HG2  THR  65          HG23      THR  65  11.642   1.094  15.502
  480    H    ASP  66           H        ASP  66  11.758  -0.019  10.833
  481    HA   ASP  66           HA       ASP  66  12.155   2.191   9.210
  482   1HB   ASP  66          HB2       ASP  66  12.521  -0.660   8.221
  483   2HB   ASP  66          HB3       ASP  66  13.540   0.750   7.969
  484    H    ALA  67           H        ALA  67  10.133  -0.713   8.738
  485    HA   ALA  67           HA       ALA  67   9.078  -0.061   6.181
  486   1HB   ALA  67          HB1       ALA  67   7.389  -1.782   6.692
  487   2HB   ALA  67          HB2       ALA  67   9.025  -2.332   7.114
  488   3HB   ALA  67          HB3       ALA  67   7.917  -1.795   8.387
  489    H    ARG  68           H        ARG  68   8.033   0.515   9.504
  490    HA   ARG  68           HA       ARG  68   5.593   1.843   9.120
  491   1HB   ARG  68          HB2       ARG  68   7.498   1.356  11.239
  492   2HB   ARG  68          HB3       ARG  68   7.038   3.034  11.342
  493   1HG   ARG  68          HG2       ARG  68   5.449   2.015  12.672
  494   2HG   ARG  68          HG3       ARG  68   4.577   2.086  11.136
  495   1HD   ARG  68          HD2       ARG  68   5.509  -0.317  10.727
  496   2HD   ARG  68          HD3       ARG  68   6.058  -0.269  12.400
  497    HE   ARG  68           HE       ARG  68   3.217   0.401  11.960
  498   1HH1  ARG  68          HH22      ARG  68   5.366  -2.365  12.674
  499   2HH1  ARG  68          HH21      ARG  68   4.205  -3.093  13.742
  500   1HH2  ARG  68          HH11      ARG  68   1.607  -0.814  13.078
  501   2HH2  ARG  68          HH12      ARG  68   1.985  -2.207  13.881
  502    H    GLU  69           H        GLU  69   8.763   3.543   9.730
  503    HA   GLU  69           HA       GLU  69   7.962   6.072   8.966
  504   1HB   GLU  69          HB2       GLU  69  10.310   4.891   9.816
  505   2HB   GLU  69          HB3       GLU  69  10.726   5.279   8.149
  506   1HG   GLU  69          HG2       GLU  69  11.352   7.088   9.698
  507   2HG   GLU  69          HG3       GLU  69  10.087   7.655   8.595
  508    H    LEU  70           H        LEU  70   9.269   3.499   6.837
  509    HA   LEU  70           HA       LEU  70   9.146   4.922   4.468
  510   1HB   LEU  70          HB2       LEU  70   9.190   2.037   5.211
  511   2HB   LEU  70          HB3       LEU  70   8.323   2.297   3.760
  512    HG   LEU  70           HG       LEU  70  10.445   1.867   3.014
  513   1HD1  LEU  70          HD11      LEU  70  10.870   4.853   3.157
  514   2HD1  LEU  70          HD12      LEU  70  11.145   3.732   1.816
  515   3HD1  LEU  70          HD13      LEU  70   9.487   4.205   2.263
  516   1HD2  LEU  70          HD21      LEU  70  12.526   2.827   3.973
  517   2HD2  LEU  70          HD22      LEU  70  11.555   3.627   5.232
  518   3HD2  LEU  70          HD23      LEU  70  11.605   1.851   5.131
  519    H    SER  71           H        SER  71   6.483   3.118   6.028
  520    HA   SER  71           HA       SER  71   4.607   3.562   3.906
  521   1HB   SER  71          HB2       SER  71   3.012   2.593   5.309
  522   2HB   SER  71          HB3       SER  71   4.502   1.866   5.879
  523    HG   SER  71           HG       SER  71   4.531   3.539   7.509
  524    H    LYS  72           H        LYS  72   5.645   5.610   6.552
  525    HA   LYS  72           HA       LYS  72   3.479   7.522   6.282
  526   1HB   LYS  72          HB2       LYS  72   6.346   8.219   7.062
  527   2HB   LYS  72          HB3       LYS  72   4.861   9.096   7.439
  528   1HG   LYS  72          HG2       LYS  72   4.091   7.118   8.758
  529   2HG   LYS  72          HG3       LYS  72   5.646   6.343   8.455
  530   1HD   LYS  72          HD2       LYS  72   6.805   8.340   9.413
  531   2HD   LYS  72          HD3       LYS  72   5.241   8.954   9.975
  532   1HE   LYS  72          HE2       LYS  72   4.953   7.033  11.470
  533   2HE   LYS  72          HE3       LYS  72   6.287   6.172  10.687
  534   1HZ   LYS  72          HZ1       LYS  72   7.618   6.973  12.142
  535   2HZ   LYS  72          HZ2       LYS  72   7.512   8.382  11.490
  536   3HZ   LYS  72          HZ3       LYS  72   6.520   8.064  12.799
  537    H    THR  73           H        THR  73   6.749   7.402   4.906
  538    HA   THR  73           HA       THR  73   6.266   9.737   3.280
  539    HB   THR  73           HB       THR  73   8.533   8.972   4.011
  540    HG1  THR  73           HG1      THR  73   8.068  10.569   2.364
  541   1HG2  THR  73          HG21      THR  73   8.310   7.087   1.625
  542   2HG2  THR  73          HG22      THR  73   9.818   7.577   2.421
  543   3HG2  THR  73          HG23      THR  73   8.606   6.679   3.331
  544    H    PHE  74           H        PHE  74   5.569   6.323   2.737
  545    HA   PHE  74           HA       PHE  74   5.053   6.625  -0.110
  546   1HB   PHE  74          HB2       PHE  74   3.973   4.603   1.861
  547   2HB   PHE  74          HB3       PHE  74   3.930   4.465   0.113
  548    HD1  PHE  74           HD1      PHE  74   6.916   5.421  -0.359
  549    HD2  PHE  74           HD2      PHE  74   4.976   2.444   2.075
  550    HE1  PHE  74           HE1      PHE  74   8.922   3.986  -0.497
  551    HE2  PHE  74           HE2      PHE  74   6.868   0.934   1.716
  552    HZ   PHE  74           HZ       PHE  74   8.945   1.767   0.672
  553    H    ILE  75           H        ILE  75   3.258   7.670   2.675
  554    HA   ILE  75           HA       ILE  75   0.677   7.303   1.645
  555    HB   ILE  75           HB       ILE  75   1.763   9.388   3.525
  556   1HG1  ILE  75          HG12      ILE  75  -0.326   7.187   3.821
  557   2HG1  ILE  75          HG13      ILE  75   1.374   6.904   3.960
  558   1HG2  ILE  75          HG21      ILE  75  -0.085  10.571   2.379
  559   2HG2  ILE  75          HG22      ILE  75  -1.140   9.154   2.595
  560   3HG2  ILE  75          HG23      ILE  75  -0.579  10.092   3.994
  561   1HD1  ILE  75          HD11      ILE  75  -0.264   8.741   5.756
  562   2HD1  ILE  75          HD12      ILE  75   0.506   7.211   6.203
  563   3HD1  ILE  75          HD13      ILE  75   1.503   8.626   5.811
  564    H    ILE  76           H        ILE  76  -0.534   8.097   0.115
  565    HA   ILE  76           HA       ILE  76   0.380  10.467  -1.510
  566    HB   ILE  76           HB       ILE  76  -0.715   9.136  -3.410
  567   1HG1  ILE  76          HG12      ILE  76  -0.172   6.701  -1.694
  568   2HG1  ILE  76          HG13      ILE  76  -1.747   7.493  -1.590
  569   1HG2  ILE  76          HG21      ILE  76   1.815   7.936  -2.251
  570   2HG2  ILE  76          HG22      ILE  76   1.303   7.986  -3.953
  571   3HG2  ILE  76          HG23      ILE  76   1.727   9.477  -3.119
  572   1HD1  ILE  76          HD11      ILE  76  -2.470   6.735  -3.571
  573   2HD1  ILE  76          HD12      ILE  76  -0.876   6.887  -4.346
  574   3HD1  ILE  76          HD13      ILE  76  -1.255   5.498  -3.285
  575    H    GLY  77           H        GLY  77  -2.172   9.285   0.439
  576   1HA   GLY  77          HA1       GLY  77  -4.415  10.915  -0.667
  577   2HA   GLY  77          HA2       GLY  77  -4.254   9.288  -1.308
  578    H    GLU  78           H        GLU  78  -6.434   9.825   0.009
  579    HA   GLU  78           HA       GLU  78  -6.158   7.985   2.266
  580   1HB   GLU  78          HB2       GLU  78  -8.003  10.469   2.192
  581   2HB   GLU  78          HB3       GLU  78  -7.753   9.366   3.544
  582   1HG   GLU  78          HG2       GLU  78  -6.400  11.070   4.277
  583   2HG   GLU  78          HG3       GLU  78  -5.266  10.030   3.425
  584    H    LEU  79           H        LEU  79  -8.073   6.901   2.764
  585    HA   LEU  79           HA       LEU  79  -9.581   6.077   0.380
  586   1HB   LEU  79          HB2       LEU  79  -8.640   4.511   2.021
  587   2HB   LEU  79          HB3       LEU  79  -9.623   5.191   3.309
  588    HG   LEU  79           HG       LEU  79 -10.240   2.934   2.107
  589   1HD1  LEU  79          HD11      LEU  79 -12.608   3.288   2.615
  590   2HD1  LEU  79          HD12      LEU  79 -11.555   3.886   3.910
  591   3HD1  LEU  79          HD13      LEU  79 -12.312   5.029   2.789
  592   1HD2  LEU  79          HD21      LEU  79 -10.392   3.900  -0.208
  593   2HD2  LEU  79          HD22      LEU  79 -11.855   3.075   0.353
  594   3HD2  LEU  79          HD23      LEU  79 -11.812   4.838   0.337
  595    H    HIS  80           H        HIS  80 -11.311   7.168  -0.270
  596    HA   HIS  80           HA       HIS  80 -12.230   9.291   0.915
  597   1HB   HIS  80          HB2       HIS  80 -12.569   8.420  -1.416
  598   2HB   HIS  80          HB3       HIS  80 -13.951   7.510  -0.850
  599    HD1  HIS  80           HD1      HIS  80 -16.139   8.968  -1.312
  600    HD2  HIS  80           HD2      HIS  80 -12.575  11.174  -0.809
  601    HE1  HIS  80           HE1      HIS  80 -16.772  11.420  -1.585
  602    HA   PRO  81           HA       PRO  81 -14.941   8.120   4.070
  603   1HB   PRO  81          HB2       PRO  81 -16.870  10.407   3.453
  604   2HB   PRO  81          HB3       PRO  81 -16.069  10.076   4.982
  605   1HG   PRO  81          HG2       PRO  81 -15.182  12.094   3.329
  606   2HG   PRO  81          HG3       PRO  81 -13.937  10.984   3.994
  607   1HD   PRO  81          HD2       PRO  81 -15.442  10.706   1.374
  608   2HD   PRO  81          HD3       PRO  81 -13.697  10.842   1.604
  609    H    ASP  82           H        ASP  82 -16.759   8.939   1.185
  610    HA   ASP  82           HA       ASP  82 -19.220   7.909   2.069
  611   1HB   ASP  82          HB2       ASP  82 -18.913   9.357   0.057
  612   2HB   ASP  82          HB3       ASP  82 -18.101   8.019  -0.786
  613    H    ASP  83           H        ASP  83 -16.484   6.587   0.458
  614    HA   ASP  83           HA       ASP  83 -16.730   4.022  -0.185
  615   1HB   ASP  83          HB2       ASP  83 -14.712   5.931   0.581
  616   2HB   ASP  83          HB3       ASP  83 -14.289   4.475   1.398
  617    H    ARG  84           H        ARG  84 -15.670   4.875   3.126
  618    HA   ARG  84           HA       ARG  84 -15.943   2.056   3.863
  619   1HB   ARG  84          HB2       ARG  84 -14.689   2.701   5.905
  620   2HB   ARG  84          HB3       ARG  84 -13.855   2.834   4.377
  621   1HG   ARG  84          HG2       ARG  84 -13.383   4.713   6.034
  622   2HG   ARG  84          HG3       ARG  84 -13.940   5.280   4.443
  623   1HD   ARG  84          HD2       ARG  84 -16.101   5.461   5.086
  624   2HD   ARG  84          HD3       ARG  84 -15.879   4.659   6.704
  625    HE   ARG  84           HE       ARG  84 -14.546   7.141   6.640
  626   1HH1  ARG  84          HH22      ARG  84 -17.763   5.661   6.096
  627   2HH1  ARG  84          HH21      ARG  84 -18.673   6.996   6.712
  628   1HH2  ARG  84          HH11      ARG  84 -15.796   8.984   7.490
  629   2HH2  ARG  84          HH12      ARG  84 -17.533   8.928   7.526
  630    HHA  HEM 201           HGM      HEM 201   8.941  -9.239   5.880
  631    HHB  HEM 201           HDM      HEM 201   9.201  -2.985   4.391
  632    HHC  HEM 201           HAM      HEM 201   2.984  -3.153   2.722
  633    HHD  HEM 201           HBM      HEM 201   3.074  -9.620   3.246
  634   1HMA  HEM 201          HM81      HEM 201  10.774  -3.384   5.872
  635   2HMA  HEM 201          HM82      HEM 201  11.547  -4.684   6.759
  636   3HMA  HEM 201          HM83      HEM 201  11.912  -4.465   5.034
  637   1HAA  HEM 201          HP71      HEM 201  11.011  -8.483   6.361
  638   2HAA  HEM 201          HP72      HEM 201  11.924  -6.915   6.525
  639   1HBA  HEM 201          HP73      HEM 201   9.960  -8.282   8.352
  640   2HBA  HEM 201          HP74      HEM 201   9.988  -6.451   8.267
  641   1HMB  HEM 201          HM11      HEM 201   8.153  -0.690   2.518
  642   2HMB  HEM 201          HM12      HEM 201   7.123   0.043   3.781
  643   3HMB  HEM 201          HM13      HEM 201   8.499  -0.940   4.223
  644    HAB  HEM 201          HT2A      HEM 201   4.002  -1.268   1.734
  645   1HBB  HEM 201          HV2C      HEM 201   4.919   0.492   3.975
  646   2HBB  HEM 201          HV2T      HEM 201   3.208   0.403   3.169
  647   1HMC  HEM 201          HM31      HEM 201   0.532  -4.255   3.338
  648   2HMC  HEM 201          HM32      HEM 201   1.057  -4.054   1.665
  649   3HMC  HEM 201          HM33      HEM 201  -0.043  -5.378   2.087
  650    HAC  HEM 201          HT4A      HEM 201   0.808  -8.918   2.910
  651   1HBC  HEM 201          HV4C      HEM 201   0.501  -7.072   0.513
  652   2HBC  HEM 201          HV4T      HEM 201   0.179  -8.905   0.622
  653   1HMD  HEM 201          HM51      HEM 201   5.034 -12.174   3.063
  654   2HMD  HEM 201          HM52      HEM 201   4.883 -12.518   4.798
  655   3HMD  HEM 201          HM53      HEM 201   3.610 -11.632   3.969
  656   1HAD  HEM 201          HP61      HEM 201   7.220 -12.477   4.674
  657   2HAD  HEM 201          HP62      HEM 201   8.611 -11.319   4.875
  658   1HBD  HEM 201          HP63      HEM 201   7.984 -11.037   7.254
  659   2HBD  HEM 201          HP64      HEM 201   6.643 -12.269   7.005
  Start of MODEL   33
    1   1H    ALA   3          H1        ALA   3  -3.486  21.179   0.539
    2   2H    ALA   3          H2        ALA   3  -5.028  21.562   0.176
    3   3H    ALA   3          H3        ALA   3  -4.274  22.365   1.426
    4    HA   ALA   3           HA       ALA   3  -4.224  20.467   2.764
    5   1HB   ALA   3          HB1       ALA   3  -6.570  19.732   2.878
    6   2HB   ALA   3          HB2       ALA   3  -6.526  21.468   2.548
    7   3HB   ALA   3          HB3       ALA   3  -6.870  20.325   1.230
    8    H    VAL   4           H        VAL   4  -5.560  17.959   2.373
    9    HA   VAL   4           HA       VAL   4  -3.833  16.586   0.450
   10    HB   VAL   4           HB       VAL   4  -5.090  14.585   1.139
   11   1HG1  VAL   4          HG11      VAL   4  -3.171  15.438   2.473
   12   2HG1  VAL   4          HG12      VAL   4  -4.347  16.149   3.606
   13   3HG1  VAL   4          HG13      VAL   4  -4.319  14.394   3.316
   14   1HG2  VAL   4          HG21      VAL   4  -6.835  14.644   2.803
   15   2HG2  VAL   4          HG22      VAL   4  -6.746  16.402   2.949
   16   3HG2  VAL   4          HG23      VAL   4  -7.343  15.662   1.451
   17    H    LYS   5           H        LYS   5  -5.650  14.822  -0.729
   18    HA   LYS   5           HA       LYS   5  -7.363  16.502  -2.500
   19   1HB   LYS   5          HB2       LYS   5  -6.032  13.834  -3.099
   20   2HB   LYS   5          HB3       LYS   5  -6.982  14.821  -4.208
   21   1HG   LYS   5          HG2       LYS   5  -5.189  16.493  -4.321
   22   2HG   LYS   5          HG3       LYS   5  -4.273  15.649  -3.048
   23   1HD   LYS   5          HD2       LYS   5  -4.283  13.588  -4.439
   24   2HD   LYS   5          HD3       LYS   5  -5.033  14.494  -5.768
   25   1HE   LYS   5          HE2       LYS   5  -2.998  15.916  -5.914
   26   2HE   LYS   5          HE3       LYS   5  -2.312  15.089  -4.501
   27   1HZ   LYS   5          HZ1       LYS   5  -2.893  13.838  -7.104
   28   2HZ   LYS   5          HZ2       LYS   5  -1.406  14.145  -6.470
   29   3HZ   LYS   5          HZ3       LYS   5  -2.392  13.023  -5.769
   30    H    TYR   6           H        TYR   6  -6.613  13.455  -0.886
   31    HA   TYR   6           HA       TYR   6  -7.651  11.566  -0.398
   32   1HB   TYR   6          HB2       TYR   6 -10.288  13.192  -0.453
   33   2HB   TYR   6          HB3       TYR   6 -10.096  11.474  -0.453
   34    HD1  TYR   6           HD1      TYR   6  -9.395  14.430   1.713
   35    HD2  TYR   6           HD2      TYR   6  -9.712  10.169   1.352
   36    HE1  TYR   6           HE1      TYR   6  -9.159  14.176   4.179
   37    HE2  TYR   6           HE2      TYR   6  -9.535   9.900   3.725
   38    HH   TYR   6           HH       TYR   6  -8.193  11.598   5.572
   39    H    TYR   7           H        TYR   7  -8.481   9.928  -1.236
   40    HA   TYR   7           HA       TYR   7  -8.719   9.815  -4.184
   41   1HB   TYR   7          HB2       TYR   7  -6.816   8.929  -2.061
   42   2HB   TYR   7          HB3       TYR   7  -7.249   7.683  -3.025
   43    HD1  TYR   7           HD1      TYR   7  -4.594   7.984  -2.967
   44    HD2  TYR   7           HD2      TYR   7  -7.122  10.729  -5.144
   45    HE1  TYR   7           HE1      TYR   7  -2.626   9.252  -3.712
   46    HE2  TYR   7           HE2      TYR   7  -5.157  11.913  -5.930
   47    HH   TYR   7           HH       TYR   7  -2.131  11.422  -4.130
   48    H    THR   8           H        THR   8 -10.149   8.419  -4.914
   49    HA   THR   8           HA       THR   8 -12.114   7.494  -2.951
   50    HB   THR   8           HB       THR   8 -13.474   7.012  -4.998
   51    HG1  THR   8           HG1      THR   8 -12.542   7.830  -6.971
   52   1HG2  THR   8          HG21      THR   8 -13.807   9.363  -5.614
   53   2HG2  THR   8          HG22      THR   8 -13.545   9.231  -3.865
   54   3HG2  THR   8          HG23      THR   8 -12.235   9.806  -4.921
   55    H    LEU   9           H        LEU   9 -12.872   5.302  -2.818
   56    HA   LEU   9           HA       LEU   9 -10.948   3.267  -3.062
   57   1HB   LEU   9          HB2       LEU   9 -12.532   3.100  -1.550
   58   2HB   LEU   9          HB3       LEU   9 -13.914   3.291  -2.624
   59    HG   LEU   9           HG       LEU   9 -13.663   1.063  -1.625
   60   1HD1  LEU   9          HD11      LEU   9 -14.704   1.215  -3.858
   61   2HD1  LEU   9          HD12      LEU   9 -13.156   0.772  -4.603
   62   3HD1  LEU   9          HD13      LEU   9 -13.958  -0.354  -3.509
   63   1HD2  LEU   9          HD21      LEU   9 -10.965   0.895  -3.011
   64   2HD2  LEU   9          HD22      LEU   9 -11.282   0.982  -1.273
   65   3HD2  LEU   9          HD23      LEU   9 -11.793  -0.442  -2.194
   66    H    GLU  10           H        GLU  10 -13.322   4.426  -5.466
   67    HA   GLU  10           HA       GLU  10 -12.918   2.520  -7.491
   68   1HB   GLU  10          HB2       GLU  10 -14.364   4.504  -7.830
   69   2HB   GLU  10          HB3       GLU  10 -12.964   5.570  -7.821
   70   1HG   GLU  10          HG2       GLU  10 -12.009   4.366  -9.786
   71   2HG   GLU  10          HG3       GLU  10 -13.404   3.306  -9.821
   72    H    GLU  11           H        GLU  11 -10.949   5.468  -6.869
   73    HA   GLU  11           HA       GLU  11  -8.992   4.792  -8.846
   74   1HB   GLU  11          HB2       GLU  11  -8.740   6.527  -6.304
   75   2HB   GLU  11          HB3       GLU  11  -7.457   6.276  -7.467
   76   1HG   GLU  11          HG2       GLU  11 -10.173   7.568  -8.053
   77   2HG   GLU  11          HG3       GLU  11  -8.652   8.439  -7.817
   78    H    ILE  12           H        ILE  12  -9.189   4.164  -5.386
   79    HA   ILE  12           HA       ILE  12  -6.539   3.307  -5.384
   80    HB   ILE  12           HB       ILE  12  -8.867   2.731  -3.474
   81   1HG1  ILE  12          HG12      ILE  12  -6.558   4.567  -2.830
   82   2HG1  ILE  12          HG13      ILE  12  -7.829   5.178  -3.887
   83   1HG2  ILE  12          HG21      ILE  12  -5.923   2.181  -3.068
   84   2HG2  ILE  12          HG22      ILE  12  -7.093   2.269  -1.744
   85   3HG2  ILE  12          HG23      ILE  12  -7.286   1.032  -2.994
   86   1HD1  ILE  12          HD11      ILE  12  -8.155   4.199  -1.034
   87   2HD1  ILE  12          HD12      ILE  12  -8.298   5.847  -1.643
   88   3HD1  ILE  12          HD13      ILE  12  -9.506   4.644  -2.086
   89    H    GLN  13           H        GLU  13  -9.566   1.470  -5.685
   90    HA   GLN  13           HA       GLU  13  -8.392  -1.129  -5.952
   91   1HB   GLN  13          HB2       GLU  13 -10.919   0.169  -7.059
   92   2HB   GLN  13          HB3       GLU  13 -10.497  -1.488  -7.497
   93   1HG   GLN  13          HG2       GLU  13 -10.626  -0.659  -4.591
   94   2HG   GLN  13          HG3       GLU  13 -12.081  -1.117  -5.491
   95    H    LYS  14           H        LYS  14  -9.198   1.346  -8.346
   96    HA   LYS  14           HA       LYS  14  -8.434   0.014 -10.710
   97   1HB   LYS  14          HB2       LYS  14  -9.855   1.960 -10.563
   98   2HB   LYS  14          HB3       LYS  14  -8.524   2.934  -9.925
   99   1HG   LYS  14          HG2       LYS  14  -7.469   3.125 -11.959
  100   2HG   LYS  14          HG3       LYS  14  -8.346   1.750 -12.685
  101   1HD   LYS  14          HD2       LYS  14  -9.203   3.879 -13.583
  102   2HD   LYS  14          HD3       LYS  14 -10.461   3.076 -12.620
  103   1HE   LYS  14          HE2       LYS  14  -9.938   4.524 -10.695
  104   2HE   LYS  14          HE3       LYS  14  -8.616   5.289 -11.599
  105   1HZ   LYS  14          HZ1       LYS  14 -10.440   6.661 -11.532
  106   2HZ   LYS  14          HZ2       LYS  14 -10.407   6.142 -13.085
  107   3HZ   LYS  14          HZ3       LYS  14 -11.536   5.558 -12.013
  108    H    HIS  15           H        HIS  15  -6.508   1.829  -8.344
  109    HA   HIS  15           HA       HIS  15  -3.983   1.456  -9.801
  110   1HB   HIS  15          HB2       HIS  15  -4.811   2.758  -7.216
  111   2HB   HIS  15          HB3       HIS  15  -3.141   2.265  -7.553
  112    HD1  HIS  15           HD1      HIS  15  -1.702   3.907  -8.659
  113    HD2  HIS  15           HD2      HIS  15  -5.776   4.366  -9.549
  114    HE1  HIS  15           HE1      HIS  15  -1.873   5.939 -10.248
  115    H    ASN  16           H        ASN  16  -4.821  -0.811  -9.884
  116    HA   ASN  16           HA       ASN  16  -2.843  -2.288  -8.275
  117   1HB   ASN  16          HB2       ASN  16  -4.948  -2.791  -7.102
  118   2HB   ASN  16          HB3       ASN  16  -5.656  -3.405  -8.605
  119   1HD2  ASN  16          HD21      ASN  16  -5.179  -4.970  -6.106
  120   2HD2  ASN  16          HD22      ASN  16  -3.921  -6.125  -6.465
  121    H    ASN  17           H        ASN  17  -1.696  -1.921 -10.230
  122    HA   ASN  17           HA       ASN  17  -1.972  -4.230 -11.931
  123   1HB   ASN  17          HB2       ASN  17  -3.410  -1.966 -12.837
  124   2HB   ASN  17          HB3       ASN  17  -1.943  -1.908 -13.789
  125   1HD2  ASN  17          HD21      ASN  17  -4.337  -4.288 -12.555
  126   2HD2  ASN  17          HD22      ASN  17  -4.474  -5.188 -14.069
  127    H    SER  18           H        SER  18  -0.012  -3.153 -10.141
  128    HA   SER  18           HA       SER  18   2.213  -3.151  -9.939
  129   1HB   SER  18          HB2       SER  18   2.210  -4.790 -11.898
  130   2HB   SER  18          HB3       SER  18   2.656  -3.410 -12.919
  131    HG   SER  18           HG       SER  18   4.099  -4.662 -10.837
  132    H    LYS  19           H        LYS  19   1.265  -1.383 -12.859
  133    HA   LYS  19           HA       LYS  19   2.745   0.615 -13.401
  134   1HB   LYS  19          HB2       LYS  19   0.787   1.959 -13.900
  135   2HB   LYS  19          HB3       LYS  19   0.542   0.231 -14.254
  136   1HG   LYS  19          HG2       LYS  19  -0.950  -0.077 -12.415
  137   2HG   LYS  19          HG3       LYS  19  -0.692   1.552 -11.827
  138   1HD   LYS  19          HD2       LYS  19  -1.474   2.252 -14.290
  139   2HD   LYS  19          HD3       LYS  19  -2.237   0.665 -14.212
  140   1HE   LYS  19          HE2       LYS  19  -3.870   2.215 -13.405
  141   2HE   LYS  19          HE3       LYS  19  -3.265   1.377 -11.978
  142   1HZ   LYS  19          HZ1       LYS  19  -1.790   3.369 -11.631
  143   2HZ   LYS  19          HZ2       LYS  19  -2.521   4.088 -12.903
  144   3HZ   LYS  19          HZ3       LYS  19  -3.396   3.738 -11.572
  145    H    SER  20           H        SER  20   0.711   0.906 -10.635
  146    HA   SER  20           HA       SER  20   2.223   2.885  -9.098
  147   1HB   SER  20          HB2       SER  20   0.210   4.546  -9.325
  148   2HB   SER  20          HB3       SER  20   1.568   4.594 -10.429
  149    HG   SER  20           HG       SER  20   0.444   3.646 -11.987
  150    H    THR  21           H        THR  21   1.946   1.126  -7.676
  151    HA   THR  21           HA       THR  21  -0.689  -0.163  -7.475
  152    HB   THR  21           HB       THR  21   2.067  -0.865  -6.390
  153    HG1  THR  21           HG1      THR  21   2.017  -1.020  -8.600
  154   1HG2  THR  21          HG21      THR  21   0.306  -1.979  -5.059
  155   2HG2  THR  21          HG22      THR  21  -0.470  -2.542  -6.568
  156   3HG2  THR  21          HG23      THR  21   1.138  -3.136  -6.111
  157    H    TRP  22           H        TRP  22  -2.135   0.478  -5.989
  158    HA   TRP  22           HA       TRP  22  -1.291   2.245  -3.768
  159   1HB   TRP  22          HB2       TRP  22  -3.772   1.884  -5.390
  160   2HB   TRP  22          HB3       TRP  22  -3.877   2.642  -3.850
  161    HD1  TRP  22           HD1      TRP  22  -0.690   3.292  -5.781
  162    HE1  TRP  22           HE1      TRP  22  -0.561   5.478  -6.867
  163    HE3  TRP  22           HE3      TRP  22  -5.388   4.872  -4.639
  164    HZ2  TRP  22           HZ2      TRP  22  -2.477   7.704  -7.482
  165    HZ3  TRP  22           HZ3      TRP  22  -6.276   6.960  -5.607
  166    HH2  TRP  22           HH2      TRP  22  -4.879   8.335  -7.105
  167    H    LEU  23           H        LEU  23  -1.957   1.748  -1.573
  168    HA   LEU  23           HA       LEU  23  -3.876  -0.457  -1.218
  169   1HB   LEU  23          HB2       LEU  23  -1.806  -0.832   0.758
  170   2HB   LEU  23          HB3       LEU  23  -2.583  -1.985  -0.247
  171    HG   LEU  23           HG       LEU  23  -0.695  -0.869  -2.026
  172   1HD1  LEU  23          HD11      LEU  23   0.484  -0.946   0.763
  173   2HD1  LEU  23          HD12      LEU  23   1.302  -0.546  -0.772
  174   3HD1  LEU  23          HD13      LEU  23   0.059   0.547  -0.129
  175   1HD2  LEU  23          HD21      LEU  23  -0.143  -3.092  -0.047
  176   2HD2  LEU  23          HD22      LEU  23  -0.854  -3.297  -1.666
  177   3HD2  LEU  23          HD23      LEU  23   0.806  -2.679  -1.500
  178    H    ILE  24           H        ILE  24  -4.610  -0.626   1.095
  179    HA   ILE  24           HA       ILE  24  -4.543   2.031   2.409
  180    HB   ILE  24           HB       ILE  24  -6.456  -0.332   2.942
  181   1HG1  ILE  24          HG12      ILE  24  -6.768   0.453   0.575
  182   2HG1  ILE  24          HG13      ILE  24  -8.168   0.454   1.652
  183   1HG2  ILE  24          HG21      ILE  24  -7.903   1.424   3.967
  184   2HG2  ILE  24          HG22      ILE  24  -6.370   1.172   4.802
  185   3HG2  ILE  24          HG23      ILE  24  -6.572   2.588   3.759
  186   1HD1  ILE  24          HD11      ILE  24  -8.101   2.434   0.255
  187   2HD1  ILE  24          HD12      ILE  24  -7.921   2.897   1.943
  188   3HD1  ILE  24          HD13      ILE  24  -6.487   2.873   0.884
  189    H    LEU  25           H        LEU  25  -3.379   2.277   4.052
  190    HA   LEU  25           HA       LEU  25  -3.039   0.060   6.040
  191   1HB   LEU  25          HB2       LEU  25  -1.028   1.779   4.756
  192   2HB   LEU  25          HB3       LEU  25  -0.838   1.483   6.493
  193    HG   LEU  25           HG       LEU  25  -0.910  -0.986   6.000
  194   1HD1  LEU  25          HD11      LEU  25  -0.730  -0.005   3.120
  195   2HD1  LEU  25          HD12      LEU  25  -0.212  -1.628   3.641
  196   3HD1  LEU  25          HD13      LEU  25  -1.880  -1.153   3.851
  197   1HD2  LEU  25          HD21      LEU  25   1.219   0.141   6.420
  198   2HD2  LEU  25          HD22      LEU  25   1.412  -1.083   5.144
  199   3HD2  LEU  25          HD23      LEU  25   1.317   0.641   4.717
  200    H    HIS  26           H        HIS  26  -4.902   0.877   7.047
  201    HA   HIS  26           HA       HIS  26  -5.915   1.976   8.708
  202   1HB   HIS  26          HB2       HIS  26  -3.493   3.767   9.134
  203   2HB   HIS  26          HB3       HIS  26  -4.718   3.296  10.297
  204    HD1  HIS  26           HD1      HIS  26  -4.370   0.841  11.438
  205    HD2  HIS  26           HD2      HIS  26  -1.400   2.156   8.753
  206    HE1  HIS  26           HE1      HIS  26  -2.331  -0.648  11.804
  207    H    TYR  27           H        TYR  27  -7.044   2.667   6.630
  208    HA   TYR  27           HA       TYR  27  -8.147   4.244   5.419
  209   1HB   TYR  27          HB2       TYR  27  -8.130   5.728   8.070
  210   2HB   TYR  27          HB3       TYR  27  -9.251   5.996   6.739
  211    HD1  TYR  27           HD1      TYR  27  -9.467   4.982   9.857
  212    HD2  TYR  27           HD2      TYR  27 -10.116   3.280   5.940
  213    HE1  TYR  27           HE1      TYR  27 -11.274   3.551  10.761
  214    HE2  TYR  27           HE2      TYR  27 -11.909   1.871   6.848
  215    HH   TYR  27           HH       TYR  27 -13.235   1.406   8.690
  216    H    LYS  28           H        LYS  28  -5.479   4.335   5.014
  217    HA   LYS  28           HA       LYS  28  -5.116   7.120   4.129
  218   1HB   LYS  28          HB2       LYS  28  -4.131   6.757   6.484
  219   2HB   LYS  28          HB3       LYS  28  -3.083   5.566   5.812
  220   1HG   LYS  28          HG2       LYS  28  -1.833   7.575   6.011
  221   2HG   LYS  28          HG3       LYS  28  -2.111   7.333   4.286
  222   1HD   LYS  28          HD2       LYS  28  -2.434   9.672   4.955
  223   2HD   LYS  28          HD3       LYS  28  -3.910   8.984   4.300
  224   1HE   LYS  28          HE2       LYS  28  -3.477   8.932   7.309
  225   2HE   LYS  28          HE3       LYS  28  -3.865  10.475   6.543
  226   1HZ   LYS  28          HZ1       LYS  28  -5.661   8.134   6.217
  227   2HZ   LYS  28          HZ2       LYS  28  -5.808   9.307   7.353
  228   3HZ   LYS  28          HZ3       LYS  28  -5.889   9.709   5.797
  229    H    VAL  29           H        VAL  29  -3.645   7.170   2.200
  230    HA   VAL  29           HA       VAL  29  -3.698   4.484   0.915
  231    HB   VAL  29           HB       VAL  29  -4.137   7.198  -0.319
  232   1HG1  VAL  29          HG11      VAL  29  -4.110   4.408  -1.535
  233   2HG1  VAL  29          HG12      VAL  29  -4.728   5.874  -2.317
  234   3HG1  VAL  29          HG13      VAL  29  -3.009   5.737  -1.933
  235   1HG2  VAL  29          HG21      VAL  29  -6.032   6.075   1.070
  236   2HG2  VAL  29          HG22      VAL  29  -6.375   6.478  -0.631
  237   3HG2  VAL  29          HG23      VAL  29  -5.991   4.809  -0.164
  238    H    TYR  30           H        TYR  30  -2.027   3.751  -0.202
  239    HA   TYR  30           HA       TYR  30   0.609   5.166   0.008
  240   1HB   TYR  30          HB2       TYR  30  -0.479   2.436   0.761
  241   2HB   TYR  30          HB3       TYR  30   1.220   2.717   0.682
  242    HD1  TYR  30           HD1      TYR  30  -1.898   3.133   2.466
  243    HD2  TYR  30           HD2      TYR  30   2.181   4.490   2.412
  244    HE1  TYR  30           HE1      TYR  30  -2.162   4.054   4.711
  245    HE2  TYR  30           HE2      TYR  30   1.873   5.393   4.730
  246    HH   TYR  30           HH       TYR  30   0.529   5.467   6.549
  247    H    ASP  31           H        ASP  31   1.351   5.380  -2.109
  248    HA   ASP  31           HA       ASP  31   0.923   3.178  -4.071
  249   1HB   ASP  31          HB2       ASP  31   0.686   5.601  -4.833
  250   2HB   ASP  31          HB3       ASP  31   2.432   5.736  -4.612
  251    H    LEU  32           H        LEU  32   2.733   1.841  -4.488
  252    HA   LEU  32           HA       LEU  32   5.377   2.716  -3.745
  253   1HB   LEU  32          HB2       LEU  32   5.907   1.135  -1.919
  254   2HB   LEU  32          HB3       LEU  32   4.760   2.408  -1.646
  255    HG   LEU  32           HG       LEU  32   2.922   0.531  -2.059
  256   1HD1  LEU  32          HD11      LEU  32   3.598  -1.507  -0.885
  257   2HD1  LEU  32          HD12      LEU  32   4.650  -1.318  -2.311
  258   3HD1  LEU  32          HD13      LEU  32   5.246  -0.905  -0.674
  259   1HD2  LEU  32          HD21      LEU  32   4.553   0.977   0.454
  260   2HD2  LEU  32          HD22      LEU  32   3.261   2.073  -0.097
  261   3HD2  LEU  32          HD23      LEU  32   2.867   0.433   0.438
  262    H    THR  33           H        THR  33   4.263   1.919  -5.967
  263    HA   THR  33           HA       THR  33   4.954  -0.579  -7.046
  264    HB   THR  33           HB       THR  33   5.294   2.188  -8.234
  265    HG1  THR  33           HG1      THR  33   3.430   0.579  -9.239
  266   1HG2  THR  33          HG21      THR  33   5.258   0.992 -10.437
  267   2HG2  THR  33          HG22      THR  33   6.745   0.681  -9.535
  268   3HG2  THR  33          HG23      THR  33   5.470  -0.553  -9.582
  269    H    LYS  34           H        LYS  34   7.263   2.161  -6.481
  270    HA   LYS  34           HA       LYS  34   9.493   0.693  -7.488
  271   1HB   LYS  34          HB2       LYS  34   9.493   3.109  -7.337
  272   2HB   LYS  34          HB3       LYS  34   9.424   3.070  -5.568
  273   1HG   LYS  34          HG2       LYS  34  11.646   1.576  -6.968
  274   2HG   LYS  34          HG3       LYS  34  11.731   3.332  -6.965
  275   1HD   LYS  34          HD2       LYS  34  11.995   3.515  -4.667
  276   2HD   LYS  34          HD3       LYS  34  11.228   1.964  -4.314
  277   1HE   LYS  34          HE2       LYS  34  13.124   0.720  -5.229
  278   2HE   LYS  34          HE3       LYS  34  13.945   2.226  -5.674
  279   1HZ   LYS  34          HZ1       LYS  34  14.695   1.210  -3.535
  280   2HZ   LYS  34          HZ2       LYS  34  14.128   2.746  -3.317
  281   3HZ   LYS  34          HZ3       LYS  34  13.278   1.394  -2.892
  282    H    PHE  35           H        PHE  35   7.785   0.435  -4.445
  283    HA   PHE  35           HA       PHE  35  10.174  -0.596  -3.056
  284   1HB   PHE  35          HB2       PHE  35   8.312   0.888  -1.942
  285   2HB   PHE  35          HB3       PHE  35   7.340  -0.586  -2.031
  286    HD1  PHE  35           HD1      PHE  35  10.824   0.493  -1.016
  287    HD2  PHE  35           HD2      PHE  35   7.441  -2.046  -0.144
  288    HE1  PHE  35           HE1      PHE  35  12.092  -0.560   0.801
  289    HE2  PHE  35           HE2      PHE  35   8.700  -3.052   1.707
  290    HZ   PHE  35           HZ       PHE  35  11.054  -2.364   2.169
  291    H    LEU  36           H        LEU  36   7.276  -1.712  -4.720
  292    HA   LEU  36           HA       LEU  36   7.066  -4.378  -3.965
  293   1HB   LEU  36          HB2       LEU  36   7.166  -3.361  -6.836
  294   2HB   LEU  36          HB3       LEU  36   6.413  -4.827  -6.278
  295    HG   LEU  36           HG       LEU  36   5.436  -2.073  -5.576
  296   1HD1  LEU  36          HD11      LEU  36   5.135  -2.777  -7.957
  297   2HD1  LEU  36          HD12      LEU  36   4.371  -4.258  -7.397
  298   3HD1  LEU  36          HD13      LEU  36   3.577  -2.704  -7.100
  299   1HD2  LEU  36          HD21      LEU  36   3.445  -3.265  -4.697
  300   2HD2  LEU  36          HD22      LEU  36   4.319  -4.803  -4.858
  301   3HD2  LEU  36          HD23      LEU  36   4.911  -3.536  -3.752
  302    H    GLU  37           H        GLU  37   9.491  -2.957  -6.133
  303    HA   GLU  37           HA       GLU  37  11.013  -5.161  -6.911
  304   1HB   GLU  37          HB2       GLU  37  11.933  -2.347  -6.140
  305   2HB   GLU  37          HB3       GLU  37  12.830  -3.480  -7.124
  306   1HG   GLU  37          HG2       GLU  37  11.037  -3.386  -8.858
  307   2HG   GLU  37          HG3       GLU  37  10.150  -2.204  -7.878
  308    H    GLU  38           H        GLU  38  11.099  -3.316  -3.917
  309    HA   GLU  38           HA       GLU  38  13.769  -4.281  -3.143
  310   1HB   GLU  38          HB2       GLU  38  12.897  -1.879  -3.423
  311   2HB   GLU  38          HB3       GLU  38  11.991  -2.113  -1.931
  312   1HG   GLU  38          HG2       GLU  38  14.023  -2.207  -0.649
  313   2HG   GLU  38          HG3       GLU  38  15.009  -2.464  -2.105
  314    H    HIS  39           HN       HIS  39  10.434  -4.326  -2.160
  315    HA   HIS  39           HA       HIS  39  10.371  -4.907   0.483
  316   1HB   HIS  39          HB2       HIS  39   8.478  -4.412  -1.005
  317   2HB   HIS  39          HB3       HIS  39   8.661  -5.976  -1.802
  318    HD1  HIS  39           HD1      HIS  39   6.403  -7.079  -1.084
  319    HD2  HIS  39           HD2      HIS  39   8.543  -5.201   2.019
  320    HE1  HIS  39           HE1      HIS  39   5.038  -7.376   1.040
  321    HA   PRO  40           HA       PRO  40  12.189  -9.115   0.768
  322   1HB   PRO  40          HB2       PRO  40  10.662  -8.883   3.381
  323   2HB   PRO  40          HB3       PRO  40  12.251  -9.643   3.081
  324   1HG   PRO  40          HG2       PRO  40  12.172  -7.145   4.103
  325   2HG   PRO  40          HG3       PRO  40  13.271  -7.476   2.730
  326   1HD   PRO  40          HD2       PRO  40  10.515  -6.235   2.648
  327   2HD   PRO  40          HD3       PRO  40  12.024  -5.673   1.855
  328    H    GLY  41           H        GLY  41   8.773  -8.274   1.540
  329   1HA   GLY  41          HA1       GLY  41   7.642 -10.880   1.140
  330   2HA   GLY  41          HA2       GLY  41   6.810  -9.353   1.069
  331    H    GLY  42           H        GLY  42   8.999  -8.622  -1.197
  332   1HA   GLY  42          HA1       GLY  42   9.053  -8.661  -3.491
  333   2HA   GLY  42          HA2       GLY  42   8.211 -10.221  -3.447
  334    H    GLU  43           H        GLU  43   7.417  -8.999  -5.454
  335    HA   GLU  43           HA       GLU  43   5.418  -6.943  -5.010
  336   1HB   GLU  43          HB2       GLU  43   6.804  -6.774  -6.954
  337   2HB   GLU  43          HB3       GLU  43   6.318  -8.322  -7.566
  338   1HG   GLU  43          HG2       GLU  43   4.094  -7.758  -7.962
  339   2HG   GLU  43          HG3       GLU  43   4.187  -6.286  -7.022
  340    H    GLU  44           H        GLU  44   5.182 -10.219  -6.547
  341    HA   GLU  44           HA       GLU  44   2.627 -10.222  -7.178
  342   1HB   GLU  44          HB2       GLU  44   3.958 -12.641  -5.862
  343   2HB   GLU  44          HB3       GLU  44   2.546 -12.668  -6.926
  344   1HG   GLU  44          HG2       GLU  44   5.381 -11.851  -7.715
  345   2HG   GLU  44          HG3       GLU  44   4.513 -13.312  -8.177
  346    H    VAL  45           H        VAL  45   3.438 -11.597  -3.984
  347    HA   VAL  45           HA       VAL  45   0.755 -11.797  -3.111
  348    HB   VAL  45           HB       VAL  45   2.638 -13.126  -2.250
  349   1HG1  VAL  45          HG11      VAL  45   4.271 -12.220  -0.659
  350   2HG1  VAL  45          HG12      VAL  45   4.405 -11.384  -2.209
  351   3HG1  VAL  45          HG13      VAL  45   3.599 -10.591  -0.842
  352   1HG2  VAL  45          HG21      VAL  45   2.115 -13.189   0.096
  353   2HG2  VAL  45          HG22      VAL  45   1.462 -11.552   0.074
  354   3HG2  VAL  45          HG23      VAL  45   0.620 -12.854  -0.801
  355    H    LEU  46           H        LEU  46   2.739  -8.958  -3.310
  356    HA   LEU  46           HA       LEU  46   1.186  -7.493  -1.261
  357   1HB   LEU  46          HB2       LEU  46   3.610  -7.225  -1.374
  358   2HB   LEU  46          HB3       LEU  46   3.515  -6.691  -3.050
  359    HG   LEU  46           HG       LEU  46   2.413  -4.647  -2.448
  360   1HD1  LEU  46          HD11      LEU  46   2.317  -5.865   0.335
  361   2HD1  LEU  46          HD12      LEU  46   2.102  -4.127   0.041
  362   3HD1  LEU  46          HD13      LEU  46   0.936  -5.291  -0.622
  363   1HD2  LEU  46          HD21      LEU  46   4.554  -5.056  -0.332
  364   2HD2  LEU  46          HD22      LEU  46   4.973  -5.045  -2.054
  365   3HD2  LEU  46          HD23      LEU  46   4.231  -3.622  -1.302
  366    H    ARG  47           H        ARG  47   1.711  -7.676  -4.771
  367    HA   ARG  47           HA       ARG  47  -0.054  -5.572  -5.550
  368   1HB   ARG  47          HB2       ARG  47   1.758  -6.907  -6.921
  369   2HB   ARG  47          HB3       ARG  47   0.443  -8.061  -7.203
  370   1HG   ARG  47          HG2       ARG  47  -0.914  -5.904  -7.899
  371   2HG   ARG  47          HG3       ARG  47   0.674  -5.135  -8.004
  372   1HD   ARG  47          HD2       ARG  47  -0.415  -7.491  -9.599
  373   2HD   ARG  47          HD3       ARG  47   0.029  -5.904 -10.193
  374    HE   ARG  47           HE       ARG  47   2.414  -6.383  -9.789
  375   1HH1  ARG  47          HH22      ARG  47   0.429  -9.303  -9.322
  376   2HH1  ARG  47          HH21      ARG  47   1.758 -10.354  -9.736
  377   1HH2  ARG  47          HH11      ARG  47   3.947  -7.657 -10.419
  378   2HH2  ARG  47          HH12      ARG  47   3.848  -9.422 -10.338
  379    H    GLU  48           H        GLU  48  -0.437  -9.042  -4.965
  380    HA   GLU  48           HA       GLU  48  -3.097  -9.605  -5.453
  381   1HB   GLU  48          HB2       GLU  48  -1.338 -11.135  -4.608
  382   2HB   GLU  48          HB3       GLU  48  -1.328 -10.252  -3.078
  383   1HG   GLU  48          HG2       GLU  48  -3.693 -11.000  -2.703
  384   2HG   GLU  48          HG3       GLU  48  -3.546 -12.021  -4.150
  385    H    GLN  49           H        GLN  49  -1.744  -7.879  -2.598
  386    HA   GLN  49           HA       GLN  49  -4.378  -7.553  -1.343
  387   1HB   GLN  49          HB2       GLN  49  -1.578  -6.587  -0.609
  388   2HB   GLN  49          HB3       GLN  49  -2.981  -6.427   0.417
  389   1HG   GLN  49          HG2       GLN  49  -1.619  -8.990  -0.477
  390   2HG   GLN  49          HG3       GLN  49  -1.714  -8.297   1.148
  391   1HE2  GLN  49          HE21      GLN  49  -2.752 -11.007  -0.423
  392   2HE2  GLN  49          HE22      GLN  49  -4.350 -11.092   0.275
  393    H    ALA  50           H        ALA  50  -2.108  -5.617  -3.196
  394    HA   ALA  50           HA       ALA  50  -2.881  -3.023  -2.707
  395   1HB   ALA  50          HB1       ALA  50  -2.237  -2.496  -4.988
  396   2HB   ALA  50          HB2       ALA  50  -1.131  -3.695  -4.272
  397   3HB   ALA  50          HB3       ALA  50  -2.359  -4.195  -5.455
  398    H    GLY  51           H        GLY  51  -4.273  -1.551  -3.530
  399   1HA   GLY  51          HA1       GLY  51  -6.140  -0.611  -4.237
  400   2HA   GLY  51          HA2       GLY  51  -6.564  -2.016  -5.170
  401    H    GLY  52           H        GLY  52  -5.879  -2.449  -1.748
  402   1HA   GLY  52          HA1       GLY  52  -8.020  -1.044  -0.584
  403   2HA   GLY  52          HA2       GLY  52  -8.613  -2.671  -0.917
  404    H    ASP  53           H        ASP  53  -8.098  -4.199   0.331
  405    HA   ASP  53           HA       ASP  53  -7.267  -3.878   3.003
  406   1HB   ASP  53          HB2       ASP  53  -8.709  -5.706   2.235
  407   2HB   ASP  53          HB3       ASP  53  -7.379  -6.396   1.288
  408    H    ALA  54           H        ALA  54  -5.168  -2.870   3.189
  409    HA   ALA  54           HA       ALA  54  -3.267  -5.135   3.281
  410   1HB   ALA  54          HB1       ALA  54  -2.689  -2.429   2.110
  411   2HB   ALA  54          HB2       ALA  54  -1.424  -3.577   2.591
  412   3HB   ALA  54          HB3       ALA  54  -2.567  -4.024   1.315
  413    H    THR  55           H        THR  55  -5.020  -3.521   5.347
  414    HA   THR  55           HA       THR  55  -2.882  -2.062   6.813
  415    HB   THR  55           HB       THR  55  -5.851  -2.414   7.505
  416    HG1  THR  55           HG1      THR  55  -5.092  -1.146   5.529
  417   1HG2  THR  55          HG21      THR  55  -3.665  -0.563   8.519
  418   2HG2  THR  55          HG22      THR  55  -5.388  -0.461   8.971
  419   3HG2  THR  55          HG23      THR  55  -4.428  -1.869   9.453
  420    H    GLU  56           H        GLU  56  -5.278  -4.548   7.282
  421    HA   GLU  56           HA       GLU  56  -4.539  -5.657   9.785
  422   1HB   GLU  56          HB2       GLU  56  -5.775  -7.693   8.667
  423   2HB   GLU  56          HB3       GLU  56  -6.636  -6.218   9.064
  424   1HG   GLU  56          HG2       GLU  56  -5.824  -6.794   6.225
  425   2HG   GLU  56          HG3       GLU  56  -7.333  -7.279   6.943
  426    H    ASN  57           H        ASN  57  -4.008  -6.707   6.522
  427    HA   ASN  57           HA       ASN  57  -2.043  -8.648   6.557
  428   1HB   ASN  57          HB2       ASN  57  -2.551  -6.234   4.888
  429   2HB   ASN  57          HB3       ASN  57  -1.010  -7.010   4.630
  430   1HD2  ASN  57          HD21      ASN  57  -4.541  -7.304   3.941
  431   2HD2  ASN  57          HD22      ASN  57  -4.261  -8.673   2.938
  432    H    PHE  58           H        PHE  58  -1.326  -5.134   7.006
  433    HA   PHE  58           HA       PHE  58   1.490  -5.462   7.146
  434   1HB   PHE  58          HB2       PHE  58   0.104  -3.364   6.660
  435   2HB   PHE  58          HB3       PHE  58  -0.149  -3.233   8.395
  436    HD1  PHE  58           HD1      PHE  58   2.697  -3.671   5.949
  437    HD2  PHE  58           HD2      PHE  58   1.188  -1.670   9.463
  438    HE1  PHE  58           HE1      PHE  58   4.604  -2.089   5.880
  439    HE2  PHE  58           HE2      PHE  58   3.090  -0.098   9.381
  440    HZ   PHE  58           HZ       PHE  58   4.775  -0.271   7.560
  441    H    GLU  59           H        GLU  59  -1.049  -5.242   9.597
  442    HA   GLU  59           HA       GLU  59   0.710  -5.245  11.909
  443   1HB   GLU  59          HB2       GLU  59  -2.323  -5.580  11.604
  444   2HB   GLU  59          HB3       GLU  59  -1.474  -5.273  13.114
  445   1HG   GLU  59          HG2       GLU  59  -1.629  -3.390  10.708
  446   2HG   GLU  59          HG3       GLU  59  -2.448  -3.205  12.258
  447    H    ASP  60           H        ASP  60  -1.658  -7.518  10.688
  448    HA   ASP  60           HA       ASP  60  -1.433  -9.891  11.975
  449   1HB   ASP  60          HB2       ASP  60  -2.795  -9.466   9.924
  450   2HB   ASP  60          HB3       ASP  60  -1.328  -9.252   8.993
  451    H    HIS  61           H        HIS  61   0.762  -8.809   9.352
  452    HA   HIS  61           HA       HIS  61   2.749 -10.857   9.854
  453   1HB   HIS  61          HB2       HIS  61   2.806  -8.238   8.334
  454   2HB   HIS  61          HB3       HIS  61   4.162  -9.370   8.396
  455    HD1  HIS  61           HD1      HIS  61   0.577 -10.819   7.936
  456    HD2  HIS  61           HD2      HIS  61   4.088  -9.812   5.836
  457    HE1  HIS  61           HE1      HIS  61   0.302 -11.725   5.592
  458    H    GLY  62           H        GLY  62   2.500  -7.385  10.741
  459   1HA   GLY  62          HA1       GLY  62   3.130  -6.522  12.829
  460   2HA   GLY  62          HA2       GLY  62   4.221  -7.883  13.112
  461    H    HIS  63           HN       HIS  63   3.804  -5.545  10.432
  462    HA   HIS  63           HA       HIS  63   6.540  -5.436   9.802
  463   1HB   HIS  63          HB2       HIS  63   4.148  -3.704   9.178
  464   2HB   HIS  63          HB3       HIS  63   5.752  -3.244   8.620
  465    HD1  HIS  63           HD1      HIS  63   3.301  -6.178   8.161
  466    HD2  HIS  63           HD2      HIS  63   6.716  -4.346   6.553
  467    HE1  HIS  63           HE1      HIS  63   3.645  -7.200   5.833
  468    H    SER  64           H        SER  64   8.217  -4.132  10.237
  469    HA   SER  64           HA       SER  64   8.299  -3.123  12.894
  470   1HB   SER  64          HB2       SER  64  10.168  -4.301  11.710
  471   2HB   SER  64          HB3       SER  64  10.400  -2.871  10.696
  472    HG   SER  64           HG       SER  64  11.641  -2.230  12.272
  473    H    THR  65           H        THR  65   9.670  -1.120  13.283
  474    HA   THR  65           HA       THR  65   8.158   1.300  12.799
  475    HB   THR  65           HB       THR  65   9.345   1.169  14.748
  476    HG1  THR  65           HG1      THR  65  10.577   3.110  14.569
  477   1HG2  THR  65          HG21      THR  65  11.806   1.166  14.964
  478   2HG2  THR  65          HG22      THR  65  11.312  -0.297  14.112
  479   3HG2  THR  65          HG23      THR  65  11.995   1.067  13.209
  480    H    ASP  66           H        ASP  66  11.207  -0.041  11.455
  481    HA   ASP  66           HA       ASP  66  11.949   1.773   9.576
  482   1HB   ASP  66          HB2       ASP  66  11.695  -1.222   9.002
  483   2HB   ASP  66          HB3       ASP  66  12.896  -0.091   8.370
  484    H    ALA  67           H        ALA  67   9.465  -0.738   9.095
  485    HA   ALA  67           HA       ALA  67   8.792   0.016   6.436
  486   1HB   ALA  67          HB1       ALA  67   8.540  -2.280   7.267
  487   2HB   ALA  67          HB2       ALA  67   7.342  -1.729   8.450
  488   3HB   ALA  67          HB3       ALA  67   6.976  -1.647   6.712
  489    H    ARG  68           H        ARG  68   7.298   0.507   9.622
  490    HA   ARG  68           HA       ARG  68   4.987   2.004   9.019
  491   1HB   ARG  68          HB2       ARG  68   6.884   1.663  11.243
  492   2HB   ARG  68          HB3       ARG  68   6.165   3.237  11.281
  493   1HG   ARG  68          HG2       ARG  68   4.658   2.240  12.542
  494   2HG   ARG  68          HG3       ARG  68   3.896   1.761  11.025
  495   1HD   ARG  68          HD2       ARG  68   4.965  -0.453  11.175
  496   2HD   ARG  68          HD3       ARG  68   5.949   0.058  12.549
  497    HE   ARG  68           HE       ARG  68   3.871   0.457  13.832
  498   1HH1  ARG  68          HH22      ARG  68   4.104  -2.395  11.739
  499   2HH1  ARG  68          HH21      ARG  68   2.338  -2.649  11.766
  500   1HH2  ARG  68          HH11      ARG  68   1.721  -0.238  14.250
  501   2HH2  ARG  68          HH12      ARG  68   1.100  -1.639  13.445
  502    H    GLU  69           H        GLU  69   8.127   3.437   9.972
  503    HA   GLU  69           HA       GLU  69   7.825   6.003   9.107
  504   1HB   GLU  69          HB2       GLU  69   9.871   4.651  10.187
  505   2HB   GLU  69          HB3       GLU  69  10.464   4.646   8.530
  506   1HG   GLU  69          HG2       GLU  69  11.367   6.546   9.780
  507   2HG   GLU  69          HG3       GLU  69  10.271   7.158   8.529
  508    H    LEU  70           H        LEU  70   9.117   3.357   7.013
  509    HA   LEU  70           HA       LEU  70   9.239   4.849   4.691
  510   1HB   LEU  70          HB2       LEU  70   9.240   1.991   5.327
  511   2HB   LEU  70          HB3       LEU  70   8.271   2.234   3.930
  512    HG   LEU  70           HG       LEU  70  10.382   1.824   3.079
  513   1HD1  LEU  70          HD11      LEU  70  10.959   3.671   1.800
  514   2HD1  LEU  70          HD12      LEU  70   9.335   4.154   2.345
  515   3HD1  LEU  70          HD13      LEU  70  10.770   4.820   3.131
  516   1HD2  LEU  70          HD21      LEU  70  11.537   3.699   5.176
  517   2HD2  LEU  70          HD22      LEU  70  11.597   1.918   5.179
  518   3HD2  LEU  70          HD23      LEU  70  12.470   2.835   3.931
  519    H    SER  71           H        SER  71   6.311   3.307   6.037
  520    HA   SER  71           HA       SER  71   4.693   3.825   3.709
  521   1HB   SER  71          HB2       SER  71   2.880   3.082   4.928
  522   2HB   SER  71          HB3       SER  71   4.203   2.233   5.717
  523    HG   SER  71           HG       SER  71   4.177   3.928   7.302
  524    H    LYS  72           H        LYS  72   5.552   5.808   6.504
  525    HA   LYS  72           HA       LYS  72   3.748   7.970   5.968
  526   1HB   LYS  72          HB2       LYS  72   6.616   8.365   6.899
  527   2HB   LYS  72          HB3       LYS  72   5.221   9.406   7.160
  528   1HG   LYS  72          HG2       LYS  72   4.194   7.621   8.568
  529   2HG   LYS  72          HG3       LYS  72   5.654   6.641   8.358
  530   1HD   LYS  72          HD2       LYS  72   7.022   8.571   9.177
  531   2HD   LYS  72          HD3       LYS  72   5.537   9.412   9.646
  532   1HE   LYS  72          HE2       LYS  72   5.037   7.714  11.335
  533   2HE   LYS  72          HE3       LYS  72   6.254   6.622  10.659
  534   1HZ   LYS  72          HZ1       LYS  72   7.768   8.696  11.197
  535   2HZ   LYS  72          HZ2       LYS  72   6.731   8.767  12.504
  536   3HZ   LYS  72          HZ3       LYS  72   7.649   7.421  12.079
  537    H    THR  73           H        THR  73   7.034   7.287   4.875
  538    HA   THR  73           HA       THR  73   7.473   9.441   3.135
  539    HB   THR  73           HB       THR  73   8.503   6.653   2.528
  540    HG1  THR  73           HG1      THR  73   9.143   8.313   4.738
  541   1HG2  THR  73          HG21      THR  73   9.298   8.497   1.111
  542   2HG2  THR  73          HG22      THR  73   9.865   9.368   2.557
  543   3HG2  THR  73          HG23      THR  73  10.592   7.806   2.115
  544    H    PHE  74           H        PHE  74   5.783   6.338   2.533
  545    HA   PHE  74           HA       PHE  74   5.362   6.986  -0.295
  546   1HB   PHE  74          HB2       PHE  74   4.049   4.819   1.318
  547   2HB   PHE  74          HB3       PHE  74   4.244   4.876  -0.424
  548    HD1  PHE  74           HD1      PHE  74   4.941   2.755   1.789
  549    HD2  PHE  74           HD2      PHE  74   7.218   5.479  -0.644
  550    HE1  PHE  74           HE1      PHE  74   6.792   1.149   1.732
  551    HE2  PHE  74           HE2      PHE  74   9.152   3.919  -0.555
  552    HZ   PHE  74           HZ       PHE  74   8.970   1.798   0.781
  553    H    ILE  75           H        ILE  75   3.678   8.031   2.521
  554    HA   ILE  75           HA       ILE  75   1.000   7.783   1.675
  555    HB   ILE  75           HB       ILE  75   2.330  10.004   3.221
  556   1HG1  ILE  75          HG12      ILE  75   0.163   7.958   3.928
  557   2HG1  ILE  75          HG13      ILE  75   1.878   7.641   4.046
  558   1HG2  ILE  75          HG21      ILE  75   0.468  11.140   2.073
  559   2HG2  ILE  75          HG22      ILE  75  -0.636   9.812   2.503
  560   3HG2  ILE  75          HG23      ILE  75   0.042  10.874   3.752
  561   1HD1  ILE  75          HD11      ILE  75   0.302   9.704   5.642
  562   2HD1  ILE  75          HD12      ILE  75   1.115   8.254   6.244
  563   3HD1  ILE  75          HD13      ILE  75   2.077   9.618   5.634
  564    H    ILE  76           H        ILE  76  -0.076   8.292  -0.064
  565    HA   ILE  76           HA       ILE  76   0.808  10.610  -1.778
  566    HB   ILE  76           HB       ILE  76  -0.391   9.342  -3.585
  567   1HG1  ILE  76          HG12      ILE  76  -0.104   6.892  -1.826
  568   2HG1  ILE  76          HG13      ILE  76  -1.594   7.826  -1.758
  569   1HG2  ILE  76          HG21      ILE  76   2.015   7.923  -2.410
  570   2HG2  ILE  76          HG22      ILE  76   1.455   7.872  -4.088
  571   3HG2  ILE  76          HG23      ILE  76   2.053   9.388  -3.405
  572   1HD1  ILE  76          HD11      ILE  76  -0.787   7.185  -4.522
  573   2HD1  ILE  76          HD12      ILE  76  -1.183   5.779  -3.493
  574   3HD1  ILE  76          HD13      ILE  76  -2.360   7.059  -3.725
  575    H    GLY  77           H        GLY  77  -1.707   9.579   0.339
  576   1HA   GLY  77          HA1       GLY  77  -3.940  11.243  -0.660
  577   2HA   GLY  77          HA2       GLY  77  -3.810   9.656  -1.398
  578    H    GLU  78           H        GLU  78  -6.024   9.997  -0.130
  579    HA   GLU  78           HA       GLU  78  -5.698   8.255   2.188
  580   1HB   GLU  78          HB2       GLU  78  -7.409  10.763   2.112
  581   2HB   GLU  78          HB3       GLU  78  -7.197   9.676   3.508
  582   1HG   GLU  78          HG2       GLU  78  -4.679  10.652   3.328
  583   2HG   GLU  78          HG3       GLU  78  -5.470  11.902   2.389
  584    H    LEU  79           H        LEU  79  -7.595   7.300   2.818
  585    HA   LEU  79           HA       LEU  79  -9.202   6.177   0.698
  586   1HB   LEU  79          HB2       LEU  79  -8.183   5.000   2.583
  587   2HB   LEU  79          HB3       LEU  79  -9.022   5.998   3.750
  588    HG   LEU  79           HG       LEU  79  -9.741   3.577   3.359
  589   1HD1  LEU  79          HD11      LEU  79 -11.952   5.639   3.393
  590   2HD1  LEU  79          HD12      LEU  79 -11.931   3.999   4.072
  591   3HD1  LEU  79          HD13      LEU  79 -10.913   5.257   4.781
  592   1HD2  LEU  79          HD21      LEU  79 -10.012   3.808   0.836
  593   2HD2  LEU  79          HD22      LEU  79 -11.348   3.069   1.735
  594   3HD2  LEU  79          HD23      LEU  79 -11.489   4.748   1.177
  595    H    HIS  80           H        HIS  80 -10.759   7.469  -0.229
  596    HA   HIS  80           HA       HIS  80 -11.710   9.663   0.944
  597   1HB   HIS  80          HB2       HIS  80 -11.938   9.197  -1.431
  598   2HB   HIS  80          HB3       HIS  80 -13.227   8.026  -1.083
  599    HD1  HIS  80           HD1      HIS  80 -15.641   9.276  -0.597
  600    HD2  HIS  80           HD2      HIS  80 -12.217  11.670  -0.452
  601    HE1  HIS  80           HE1      HIS  80 -16.415  11.612   0.102
  602    HA   PRO  81           HA       PRO  81 -13.771   7.916   4.127
  603   1HB   PRO  81          HB2       PRO  81 -15.366  10.570   4.370
  604   2HB   PRO  81          HB3       PRO  81 -14.633   9.665   5.682
  605   1HG   PRO  81          HG2       PRO  81 -13.393  11.897   4.572
  606   2HG   PRO  81          HG3       PRO  81 -12.364  10.437   4.807
  607   1HD   PRO  81          HD2       PRO  81 -13.893  11.313   2.354
  608   2HD   PRO  81          HD3       PRO  81 -12.191  10.870   2.515
  609    H    ASP  82           H        ASP  82 -15.769   9.082   1.757
  610    HA   ASP  82           HA       ASP  82 -18.336   8.465   2.860
  611   1HB   ASP  82          HB2       ASP  82 -18.002   9.760   0.730
  612   2HB   ASP  82          HB3       ASP  82 -17.392   8.281  -0.057
  613    H    ASP  83           H        ASP  83 -15.739   6.680   1.423
  614    HA   ASP  83           HA       ASP  83 -16.371   4.116   0.952
  615   1HB   ASP  83          HB2       ASP  83 -14.125   5.240   1.000
  616   2HB   ASP  83          HB3       ASP  83 -14.083   5.219   2.698
  617    H    ARG  84           H        ARG  84 -15.461   5.186   4.200
  618    HA   ARG  84           HA       ARG  84 -15.739   2.443   5.023
  619   1HB   ARG  84          HB2       ARG  84 -14.389   3.161   6.991
  620   2HB   ARG  84          HB3       ARG  84 -13.650   3.265   5.403
  621   1HG   ARG  84          HG2       ARG  84 -13.111   5.183   6.994
  622   2HG   ARG  84          HG3       ARG  84 -13.724   5.677   5.400
  623   1HD   ARG  84          HD2       ARG  84 -15.867   5.845   6.124
  624   2HD   ARG  84          HD3       ARG  84 -15.572   5.212   7.797
  625    HE   ARG  84           HE       ARG  84 -14.291   7.697   7.444
  626   1HH1  ARG  84          HH22      ARG  84 -17.517   6.168   7.054
  627   2HH1  ARG  84          HH21      ARG  84 -18.418   7.603   7.398
  628   1HH2  ARG  84          HH11      ARG  84 -15.543   9.660   7.949
  629   2HH2  ARG  84          HH12      ARG  84 -17.280   9.624   7.919
  630    HHA  HEM 201           HGM      HEM 201   9.205  -9.001   5.545
  631    HHB  HEM 201           HDM      HEM 201   9.063  -2.669   4.534
  632    HHC  HEM 201           HAM      HEM 201   2.844  -3.133   2.910
  633    HHD  HEM 201           HBM      HEM 201   3.341  -9.575   2.974
  634   1HMA  HEM 201          HM81      HEM 201  11.330  -3.437   4.894
  635   2HMA  HEM 201          HM82      HEM 201  10.650  -3.344   6.535
  636   3HMA  HEM 201          HM83      HEM 201  11.948  -4.486   6.170
  637   1HAA  HEM 201          HP71      HEM 201  10.922  -8.100   6.595
  638   2HAA  HEM 201          HP72      HEM 201  11.801  -6.527   6.878
  639   1HBA  HEM 201          HP73      HEM 201  10.809  -7.415   8.938
  640   2HBA  HEM 201          HP74      HEM 201   9.149  -7.319   8.159
  641   1HMB  HEM 201          HM11      HEM 201   8.208  -0.654   4.451
  642   2HMB  HEM 201          HM12      HEM 201   7.970  -0.393   2.736
  643   3HMB  HEM 201          HM13      HEM 201   6.816   0.265   3.929
  644    HAB  HEM 201          HT2A      HEM 201   3.899  -1.349   1.660
  645   1HBB  HEM 201          HV2C      HEM 201   4.737   0.856   3.453
  646   2HBB  HEM 201          HV2T      HEM 201   2.977   0.418   2.925
  647   1HMC  HEM 201          HM31      HEM 201   0.597  -4.371   3.812
  648   2HMC  HEM 201          HM32      HEM 201   0.788  -4.197   2.057
  649   3HMC  HEM 201          HM33      HEM 201  -0.129  -5.574   2.713
  650    HAC  HEM 201          HT4A      HEM 201   0.513  -8.449   3.611
  651   1HBC  HEM 201          HV4C      HEM 201   1.504  -8.586   0.728
  652   2HBC  HEM 201          HV4T      HEM 201   0.383  -9.780   1.622
  653   1HMD  HEM 201          HM51      HEM 201   4.707 -12.125   4.315
  654   2HMD  HEM 201          HM52      HEM 201   4.360 -11.526   2.680
  655   3HMD  HEM 201          HM53      HEM 201   5.866 -12.374   2.992
  656   1HAD  HEM 201          HP61      HEM 201   7.649 -12.329   4.393
  657   2HAD  HEM 201          HP62      HEM 201   8.991 -11.092   4.371
  658   1HBD  HEM 201          HP63      HEM 201   7.930 -10.576   6.821
  659   2HBD  HEM 201          HP64      HEM 201   7.488 -12.345   6.641
  Start of MODEL   34
    1   1H    ALA   3          H1        ALA   3 -10.014  17.715   0.374
    2   2H    ALA   3          H2        ALA   3 -10.856  16.782   1.400
    3   3H    ALA   3          H3        ALA   3 -11.253  18.393   1.258
    4    HA   ALA   3           HA       ALA   3  -9.096  18.992   2.156
    5   1HB   ALA   3          HB1       ALA   3 -10.564  16.957   3.905
    6   2HB   ALA   3          HB2       ALA   3  -9.432  18.197   4.475
    7   3HB   ALA   3          HB3       ALA   3 -10.978  18.679   3.760
    8    H    VAL   4           H        VAL   4  -7.306  17.831   3.687
    9    HA   VAL   4           HA       VAL   4  -5.430  16.600   3.625
   10    HB   VAL   4           HB       VAL   4  -7.117  14.168   2.798
   11   1HG1  VAL   4          HG11      VAL   4  -5.559  13.055   4.361
   12   2HG1  VAL   4          HG12      VAL   4  -4.605  13.902   3.137
   13   3HG1  VAL   4          HG13      VAL   4  -4.796  14.597   4.759
   14   1HG2  VAL   4          HG21      VAL   4  -8.491  15.207   4.265
   15   2HG2  VAL   4          HG22      VAL   4  -7.691  13.857   5.086
   16   3HG2  VAL   4          HG23      VAL   4  -7.171  15.541   5.430
   17    H    LYS   5           H        LYS   5  -5.862  14.144   1.357
   18    HA   LYS   5           HA       LYS   5  -6.125  15.959  -0.859
   19   1HB   LYS   5          HB2       LYS   5  -3.705  15.092  -0.687
   20   2HB   LYS   5          HB3       LYS   5  -4.320  13.468  -0.988
   21   1HG   LYS   5          HG2       LYS   5  -5.008  14.082  -3.226
   22   2HG   LYS   5          HG3       LYS   5  -4.725  15.810  -2.895
   23   1HD   LYS   5          HD2       LYS   5  -2.320  15.361  -2.461
   24   2HD   LYS   5          HD3       LYS   5  -2.545  13.657  -2.846
   25   1HE   LYS   5          HE2       LYS   5  -2.987  16.009  -4.771
   26   2HE   LYS   5          HE3       LYS   5  -1.511  15.037  -4.669
   27   1HZ   LYS   5          HZ1       LYS   5  -4.160  14.035  -5.436
   28   2HZ   LYS   5          HZ2       LYS   5  -2.859  14.228  -6.425
   29   3HZ   LYS   5          HZ3       LYS   5  -2.823  13.095  -5.228
   30    H    TYR   6           H        TYR   6  -6.189  12.584   0.170
   31    HA   TYR   6           HA       TYR   6  -7.561  10.889  -0.211
   32   1HB   TYR   6          HB2       TYR   6  -9.792  12.993  -0.581
   33   2HB   TYR   6          HB3       TYR   6  -9.953  11.293  -0.782
   34    HD1  TYR   6           HD1      TYR   6  -9.664  13.886   1.788
   35    HD2  TYR   6           HD2      TYR   6  -9.764   9.691   0.907
   36    HE1  TYR   6           HE1      TYR   6 -10.083  13.374   4.192
   37    HE2  TYR   6           HE2      TYR   6 -10.031   9.168   3.247
   38    HH   TYR   6           HH       TYR   6  -9.218  10.744   5.477
   39    H    TYR   7           H        TYR   7  -8.533   9.638  -1.465
   40    HA   TYR   7           HA       TYR   7  -8.498   9.798  -4.391
   41   1HB   TYR   7          HB2       TYR   7  -6.661   8.638  -2.293
   42   2HB   TYR   7          HB3       TYR   7  -7.147   7.504  -3.403
   43    HD1  TYR   7           HD1      TYR   7  -4.440   7.721  -3.189
   44    HD2  TYR   7           HD2      TYR   7  -6.837  10.752  -5.131
   45    HE1  TYR   7           HE1      TYR   7  -2.443   9.078  -3.642
   46    HE2  TYR   7           HE2      TYR   7  -4.896  12.040  -5.559
   47    HH   TYR   7           HH       TYR   7  -1.933  11.316  -3.801
   48    H    THR   8           H        THR   8  -9.866   8.152  -5.218
   49    HA   THR   8           HA       THR   8 -11.888   7.351  -3.210
   50    HB   THR   8           HB       THR   8 -13.187   6.934  -5.379
   51    HG1  THR   8           HG1      THR   8 -12.137   8.008  -7.202
   52   1HG2  THR   8          HG21      THR   8 -13.465   9.374  -5.800
   53   2HG2  THR   8          HG22      THR   8 -13.414   9.011  -4.064
   54   3HG2  THR   8          HG23      THR   8 -11.989   9.707  -4.870
   55    H    LEU   9           H        LEU   9 -12.617   5.077  -3.085
   56    HA   LEU   9           HA       LEU   9 -10.752   3.049  -3.572
   57   1HB   LEU   9          HB2       LEU   9 -12.434   2.590  -2.171
   58   2HB   LEU   9          HB3       LEU   9 -13.745   2.958  -3.326
   59    HG   LEU   9           HG       LEU   9 -12.993   0.893  -4.614
   60   1HD1  LEU   9          HD11      LEU   9 -10.639   0.740  -3.750
   61   2HD1  LEU   9          HD12      LEU   9 -11.268   0.451  -2.117
   62   3HD1  LEU   9          HD13      LEU   9 -11.546  -0.737  -3.404
   63   1HD2  LEU   9          HD21      LEU   9 -13.766   0.453  -1.705
   64   2HD2  LEU   9          HD22      LEU   9 -14.879   0.829  -3.037
   65   3HD2  LEU   9          HD23      LEU   9 -13.983  -0.701  -3.040
   66    H    GLU  10           H        GLU  10 -13.222   4.402  -5.750
   67    HA   GLU  10           HA       GLU  10 -12.948   2.870  -8.007
   68   1HB   GLU  10          HB2       GLU  10 -14.313   4.985  -7.733
   69   2HB   GLU  10          HB3       GLU  10 -12.848   5.923  -8.002
   70   1HG   GLU  10          HG2       GLU  10 -14.076   5.790 -10.072
   71   2HG   GLU  10          HG3       GLU  10 -12.600   4.839 -10.256
   72    H    GLU  11           H        GLU  11 -10.742   5.665  -7.234
   73    HA   GLU  11           HA       GLU  11  -8.898   4.983  -9.357
   74   1HB   GLU  11          HB2       GLU  11  -8.550   6.580  -6.732
   75   2HB   GLU  11          HB3       GLU  11  -7.243   6.301  -7.837
   76   1HG   GLU  11          HG2       GLU  11  -9.816   7.583  -8.818
   77   2HG   GLU  11          HG3       GLU  11  -8.543   8.515  -8.016
   78    H    ILE  12           H        ILE  12  -9.007   4.213  -5.889
   79    HA   ILE  12           HA       ILE  12  -6.390   3.285  -5.903
   80    HB   ILE  12           HB       ILE  12  -8.718   2.673  -4.033
   81   1HG1  ILE  12          HG12      ILE  12  -6.356   4.420  -3.302
   82   2HG1  ILE  12          HG13      ILE  12  -7.634   5.098  -4.314
   83   1HG2  ILE  12          HG21      ILE  12  -6.989   2.042  -2.312
   84   2HG2  ILE  12          HG22      ILE  12  -7.261   0.894  -3.619
   85   3HG2  ILE  12          HG23      ILE  12  -5.819   1.947  -3.650
   86   1HD1  ILE  12          HD11      ILE  12  -7.901   3.960  -1.511
   87   2HD1  ILE  12          HD12      ILE  12  -8.088   5.643  -2.046
   88   3HD1  ILE  12          HD13      ILE  12  -9.283   4.432  -2.514
   89    H    GLN  13           H        GLU  13  -9.380   1.507  -6.462
   90    HA   GLN  13           HA       GLU  13  -8.373  -1.196  -6.312
   91   1HB   GLN  13          HB2       GLU  13 -10.440   0.224  -8.076
   92   2HB   GLN  13          HB3       GLU  13 -10.118  -1.507  -8.275
   93   1HG   GLN  13          HG2       GLU  13 -11.072  -1.925  -6.069
   94   2HG   GLN  13          HG3       GLU  13 -11.335  -0.183  -5.859
   95    H    LYS  14           H        LYS  14  -8.695   1.205  -8.752
   96    HA   LYS  14           HA       LYS  14  -7.834  -0.148 -11.063
   97   1HB   LYS  14          HB2       LYS  14  -8.920   2.376 -10.230
   98   2HB   LYS  14          HB3       LYS  14  -7.481   2.769 -10.952
   99   1HG   LYS  14          HG2       LYS  14  -9.375   2.860 -12.479
  100   2HG   LYS  14          HG3       LYS  14  -8.345   1.534 -13.059
  101   1HD   LYS  14          HD2       LYS  14 -10.809   1.010 -13.102
  102   2HD   LYS  14          HD3       LYS  14  -9.897  -0.137 -12.101
  103   1HE   LYS  14          HE2       LYS  14 -10.575   0.981 -10.076
  104   2HE   LYS  14          HE3       LYS  14 -11.325   2.319 -10.984
  105   1HZ   LYS  14          HZ1       LYS  14 -12.440  -0.032 -10.017
  106   2HZ   LYS  14          HZ2       LYS  14 -13.131   1.252 -10.745
  107   3HZ   LYS  14          HZ3       LYS  14 -12.633  -0.021 -11.670
  108    H    HIS  15           H        HIS  15  -5.995   1.278  -8.421
  109    HA   HIS  15           HA       HIS  15  -3.496   1.258 -10.044
  110   1HB   HIS  15          HB2       HIS  15  -4.270   2.568  -7.444
  111   2HB   HIS  15          HB3       HIS  15  -2.597   2.286  -7.961
  112    HD1  HIS  15           HD1      HIS  15  -1.776   4.660  -8.707
  113    HD2  HIS  15           HD2      HIS  15  -5.567   3.596 -10.155
  114    HE1  HIS  15           HE1      HIS  15  -2.383   6.374 -10.489
  115    H    ASN  16           H        ASN  16  -3.878  -1.066 -10.132
  116    HA   ASN  16           HA       ASN  16  -1.893  -2.226  -8.318
  117   1HB   ASN  16          HB2       ASN  16  -3.107  -4.095  -7.517
  118   2HB   ASN  16          HB3       ASN  16  -3.966  -2.620  -7.085
  119   1HD2  ASN  16          HD21      ASN  16  -5.591  -4.502  -6.716
  120   2HD2  ASN  16          HD22      ASN  16  -6.671  -4.783  -8.075
  121    H    ASN  17           H        ASN  17  -2.067  -1.522 -11.152
  122    HA   ASN  17           HA       ASN  17  -1.415  -4.120 -12.416
  123   1HB   ASN  17          HB2       ASN  17  -3.191  -3.785 -14.159
  124   2HB   ASN  17          HB3       ASN  17  -3.784  -4.248 -12.566
  125   1HD2  ASN  17          HD21      ASN  17  -5.048  -2.763 -11.296
  126   2HD2  ASN  17          HD22      ASN  17  -5.503  -1.191 -11.959
  127    H    SER  18           H        SER  18   0.449  -2.360 -12.064
  128    HA   SER  18           HA       SER  18   2.166  -1.508 -13.266
  129   1HB   SER  18          HB2       SER  18   1.225  -2.822 -15.275
  130   2HB   SER  18          HB3       SER  18   0.531  -1.275 -15.813
  131    HG   SER  18           HG       SER  18   2.637  -1.647 -16.647
  132    H    LYS  19           H        LYS  19  -0.972  -0.073 -14.136
  133    HA   LYS  19           HA       LYS  19  -0.920   2.609 -13.928
  134   1HB   LYS  19          HB2       LYS  19  -2.451   0.403 -12.553
  135   2HB   LYS  19          HB3       LYS  19  -2.599   1.994 -11.839
  136   1HG   LYS  19          HG2       LYS  19  -3.104   1.526 -14.786
  137   2HG   LYS  19          HG3       LYS  19  -4.341   1.308 -13.550
  138   1HD   LYS  19          HD2       LYS  19  -3.743   3.633 -12.662
  139   2HD   LYS  19          HD3       LYS  19  -2.878   3.918 -14.175
  140   1HE   LYS  19          HE2       LYS  19  -4.957   3.753 -15.429
  141   2HE   LYS  19          HE3       LYS  19  -5.815   3.073 -14.037
  142   1HZ   LYS  19          HZ1       LYS  19  -6.353   5.375 -14.276
  143   2HZ   LYS  19          HZ2       LYS  19  -5.521   5.169 -12.874
  144   3HZ   LYS  19          HZ3       LYS  19  -4.777   5.824 -14.180
  145    H    SER  20           H        SER  20  -0.509   0.511 -11.022
  146    HA   SER  20           HA       SER  20   1.781   1.460 -10.066
  147   1HB   SER  20          HB2       SER  20   0.868   3.645  -9.513
  148   2HB   SER  20          HB3       SER  20  -0.625   2.908  -8.883
  149    HG   SER  20           HG       SER  20   1.276   3.616  -7.403
  150    H    THR  21           H        THR  21   1.538   0.863  -7.548
  151    HA   THR  21           HA       THR  21  -0.479  -1.251  -7.032
  152    HB   THR  21           HB       THR  21   2.413  -1.428  -6.137
  153    HG1  THR  21           HG1      THR  21   1.873  -1.972  -8.356
  154   1HG2  THR  21          HG21      THR  21   0.118  -3.388  -5.783
  155   2HG2  THR  21          HG22      THR  21   1.774  -3.643  -5.244
  156   3HG2  THR  21          HG23      THR  21   0.792  -2.390  -4.459
  157    H    TRP  22           H        TRP  22  -1.813   0.095  -5.967
  158    HA   TRP  22           HA       TRP  22  -0.856   1.845  -3.778
  159   1HB   TRP  22          HB2       TRP  22  -3.298   1.692  -5.530
  160   2HB   TRP  22          HB3       TRP  22  -3.452   2.433  -3.975
  161    HD1  TRP  22           HD1      TRP  22  -0.139   3.147  -5.502
  162    HE1  TRP  22           HE1      TRP  22   0.016   5.394  -6.538
  163    HE3  TRP  22           HE3      TRP  22  -4.970   4.429  -4.922
  164    HZ2  TRP  22           HZ2      TRP  22  -1.958   7.563  -7.300
  165    HZ3  TRP  22           HZ3      TRP  22  -5.894   6.526  -5.889
  166    HH2  TRP  22           HH2      TRP  22  -4.446   8.036  -7.165
  167    H    LEU  23           H        LEU  23  -2.013   1.754  -1.700
  168    HA   LEU  23           HA       LEU  23  -3.904  -0.418  -1.254
  169   1HB   LEU  23          HB2       LEU  23  -2.251  -0.953   0.878
  170   2HB   LEU  23          HB3       LEU  23  -2.430  -1.943  -0.463
  171    HG   LEU  23           HG       LEU  23  -0.383   0.009  -1.089
  172   1HD1  LEU  23          HD11      LEU  23  -0.173  -0.027   1.410
  173   2HD1  LEU  23          HD12      LEU  23   0.090  -1.784   1.307
  174   3HD1  LEU  23          HD13      LEU  23   1.239  -0.653   0.550
  175   1HD2  LEU  23          HD21      LEU  23   0.880  -1.978  -1.635
  176   2HD2  LEU  23          HD22      LEU  23  -0.281  -3.014  -0.776
  177   3HD2  LEU  23          HD23      LEU  23  -0.762  -2.153  -2.253
  178    H    ILE  24           H        ILE  24  -4.786  -0.383   0.920
  179    HA   ILE  24           HA       ILE  24  -4.524   2.273   2.247
  180    HB   ILE  24           HB       ILE  24  -6.892   0.440   2.808
  181   1HG1  ILE  24          HG12      ILE  24  -7.315   2.522   0.695
  182   2HG1  ILE  24          HG13      ILE  24  -6.756   0.919   0.251
  183   1HG2  ILE  24          HG21      ILE  24  -6.405   2.429   4.199
  184   2HG2  ILE  24          HG22      ILE  24  -6.702   3.439   2.766
  185   3HG2  ILE  24          HG23      ILE  24  -8.005   2.449   3.452
  186   1HD1  ILE  24          HD11      ILE  24  -9.290   1.275   0.261
  187   2HD1  ILE  24          HD12      ILE  24  -8.600  -0.213   0.918
  188   3HD1  ILE  24          HD13      ILE  24  -9.154   1.036   2.023
  189    H    LEU  25           H        LEU  25  -3.787   2.391   4.161
  190    HA   LEU  25           HA       LEU  25  -3.680   0.010   5.956
  191   1HB   LEU  25          HB2       LEU  25  -1.401   1.611   4.915
  192   2HB   LEU  25          HB3       LEU  25  -1.349   1.103   6.596
  193    HG   LEU  25           HG       LEU  25  -1.327  -1.179   5.966
  194   1HD1  LEU  25          HD11      LEU  25  -2.581  -1.591   4.090
  195   2HD1  LEU  25          HD12      LEU  25  -1.836  -0.264   3.142
  196   3HD1  LEU  25          HD13      LEU  25  -0.951  -1.766   3.475
  197   1HD2  LEU  25          HD21      LEU  25   0.866  -1.227   4.846
  198   2HD2  LEU  25          HD22      LEU  25   0.532   0.339   4.079
  199   3HD2  LEU  25          HD23      LEU  25   0.808   0.261   5.821
  200    H    HIS  26           H        HIS  26  -5.362   0.929   7.135
  201    HA   HIS  26           HA       HIS  26  -6.310   2.132   8.780
  202   1HB   HIS  26          HB2       HIS  26  -3.866   3.904   9.058
  203   2HB   HIS  26          HB3       HIS  26  -5.116   3.543  10.236
  204    HD1  HIS  26           HD1      HIS  26  -4.877   1.103  11.494
  205    HD2  HIS  26           HD2      HIS  26  -1.781   2.228   8.868
  206    HE1  HIS  26           HE1      HIS  26  -2.914  -0.468  11.944
  207    H    TYR  27           H        TYR  27  -7.107   2.668   6.338
  208    HA   TYR  27           HA       TYR  27  -8.429   4.069   5.201
  209   1HB   TYR  27          HB2       TYR  27  -8.527   5.223   7.749
  210   2HB   TYR  27          HB3       TYR  27  -8.066   6.547   6.676
  211    HD1  TYR  27           HD1      TYR  27  -9.558   7.631   5.240
  212    HD2  TYR  27           HD2      TYR  27 -10.704   4.080   7.394
  213    HE1  TYR  27           HE1      TYR  27 -11.929   8.228   4.948
  214    HE2  TYR  27           HE2      TYR  27 -13.097   4.691   7.117
  215    HH   TYR  27           HH       TYR  27 -14.058   7.812   5.659
  216    H    LYS  28           H        LYS  28  -5.486   5.619   6.336
  217    HA   LYS  28           HA       LYS  28  -4.874   7.406   4.283
  218   1HB   LYS  28          HB2       LYS  28  -3.849   6.934   6.584
  219   2HB   LYS  28          HB3       LYS  28  -3.045   5.571   5.879
  220   1HG   LYS  28          HG2       LYS  28  -1.388   7.200   5.854
  221   2HG   LYS  28          HG3       LYS  28  -2.030   7.287   4.202
  222   1HD   LYS  28          HD2       LYS  28  -1.858   9.552   4.910
  223   2HD   LYS  28          HD3       LYS  28  -3.562   9.147   5.061
  224   1HE   LYS  28          HE2       LYS  28  -3.145   8.697   7.557
  225   2HE   LYS  28          HE3       LYS  28  -1.536   9.385   7.320
  226   1HZ   LYS  28          HZ1       LYS  28  -3.198  10.986   8.092
  227   2HZ   LYS  28          HZ2       LYS  28  -2.657  11.421   6.592
  228   3HZ   LYS  28          HZ3       LYS  28  -4.115  10.712   6.760
  229    H    VAL  29           H        VAL  29  -3.550   7.106   2.328
  230    HA   VAL  29           HA       VAL  29  -3.545   4.355   1.226
  231    HB   VAL  29           HB       VAL  29  -4.211   6.912  -0.219
  232   1HG1  VAL  29          HG11      VAL  29  -4.387   5.527  -2.264
  233   2HG1  VAL  29          HG12      VAL  29  -2.718   5.621  -1.721
  234   3HG1  VAL  29          HG13      VAL  29  -3.654   4.156  -1.423
  235   1HG2  VAL  29          HG21      VAL  29  -5.611   4.218  -0.128
  236   2HG2  VAL  29          HG22      VAL  29  -6.016   5.525   1.006
  237   3HG2  VAL  29          HG23      VAL  29  -6.232   5.763  -0.748
  238    H    TYR  30           H        TYR  30  -1.909   3.681   0.071
  239    HA   TYR  30           HA       TYR  30   0.727   5.040   0.404
  240   1HB   TYR  30          HB2       TYR  30  -0.310   2.228   0.915
  241   2HB   TYR  30          HB3       TYR  30   1.373   2.597   1.014
  242    HD1  TYR  30           HD1      TYR  30  -1.956   2.962   2.492
  243    HD2  TYR  30           HD2      TYR  30   2.157   4.138   2.963
  244    HE1  TYR  30           HE1      TYR  30  -2.442   3.832   4.712
  245    HE2  TYR  30           HE2      TYR  30   1.640   4.863   5.319
  246    HH   TYR  30           HH       TYR  30  -1.546   4.150   6.747
  247    H    ASP  31           H        ASP  31   1.953   4.984  -1.478
  248    HA   ASP  31           HA       ASP  31   1.203   3.108  -3.699
  249   1HB   ASP  31          HB2       ASP  31   1.505   5.646  -4.147
  250   2HB   ASP  31          HB3       ASP  31   3.233   5.337  -3.808
  251    H    LEU  32           H        LEU  32   2.618   1.455  -4.082
  252    HA   LEU  32           HA       LEU  32   5.250   1.588  -2.646
  253   1HB   LEU  32          HB2       LEU  32   3.605  -0.890  -3.326
  254   2HB   LEU  32          HB3       LEU  32   5.181  -0.863  -2.568
  255    HG   LEU  32           HG       LEU  32   2.537  -0.020  -1.450
  256   1HD1  LEU  32          HD11      LEU  32   3.219  -1.660   0.376
  257   2HD1  LEU  32          HD12      LEU  32   3.063  -2.389  -1.233
  258   3HD1  LEU  32          HD13      LEU  32   4.663  -2.019  -0.550
  259   1HD2  LEU  32          HD21      LEU  32   5.149   0.410   0.021
  260   2HD2  LEU  32          HD22      LEU  32   4.089   1.693  -0.614
  261   3HD2  LEU  32          HD23      LEU  32   3.471   0.625   0.628
  262    H    THR  33           H        THR  33   4.220   2.006  -5.662
  263    HA   THR  33           HA       THR  33   5.071   0.047  -7.375
  264    HB   THR  33           HB       THR  33   6.010   2.058  -8.858
  265    HG1  THR  33           HG1      THR  33   4.690   3.522  -6.808
  266   1HG2  THR  33          HG21      THR  33   3.218   1.889  -7.777
  267   2HG2  THR  33          HG22      THR  33   3.657   2.879  -9.194
  268   3HG2  THR  33          HG23      THR  33   3.861   1.105  -9.236
  269    H    LYS  34           H        LYS  34   7.457   2.624  -6.447
  270    HA   LYS  34           HA       LYS  34   9.621   1.083  -7.549
  271   1HB   LYS  34          HB2       LYS  34   9.659   3.568  -7.127
  272   2HB   LYS  34          HB3       LYS  34   9.881   3.217  -5.397
  273   1HG   LYS  34          HG2       LYS  34  11.930   1.863  -5.998
  274   2HG   LYS  34          HG3       LYS  34  11.667   2.277  -7.695
  275   1HD   LYS  34          HD2       LYS  34  12.005   4.661  -7.187
  276   2HD   LYS  34          HD3       LYS  34  12.201   4.273  -5.456
  277   1HE   LYS  34          HE2       LYS  34  14.140   2.790  -6.009
  278   2HE   LYS  34          HE3       LYS  34  13.948   3.165  -7.726
  279   1HZ   LYS  34          HZ1       LYS  34  14.630   5.102  -5.612
  280   2HZ   LYS  34          HZ2       LYS  34  15.670   4.460  -6.713
  281   3HZ   LYS  34          HZ3       LYS  34  14.459   5.456  -7.215
  282    H    PHE  35           H        PHE  35   7.979   0.899  -4.464
  283    HA   PHE  35           HA       PHE  35  10.250  -0.225  -3.014
  284   1HB   PHE  35          HB2       PHE  35   8.364   1.164  -1.936
  285   2HB   PHE  35          HB3       PHE  35   7.289  -0.224  -2.222
  286    HD1  PHE  35           HD1      PHE  35   6.922  -1.603  -0.431
  287    HD2  PHE  35           HD2      PHE  35  10.775   0.327  -0.789
  288    HE1  PHE  35           HE1      PHE  35   7.673  -2.720   1.594
  289    HE2  PHE  35           HE2      PHE  35  11.538  -0.838   1.243
  290    HZ   PHE  35           HZ       PHE  35  10.070  -2.477   2.356
  291    H    LEU  36           H        LEU  36   7.529  -1.331  -4.914
  292    HA   LEU  36           HA       LEU  36   7.373  -4.052  -4.413
  293   1HB   LEU  36          HB2       LEU  36   7.674  -2.730  -7.146
  294   2HB   LEU  36          HB3       LEU  36   6.948  -4.260  -6.844
  295    HG   LEU  36           HG       LEU  36   5.785  -1.631  -6.110
  296   1HD1  LEU  36          HD11      LEU  36   5.592  -2.774  -8.426
  297   2HD1  LEU  36          HD12      LEU  36   4.489  -3.894  -7.608
  298   3HD1  LEU  36          HD13      LEU  36   4.129  -2.162  -7.646
  299   1HD2  LEU  36          HD21      LEU  36   5.400  -2.943  -4.147
  300   2HD2  LEU  36          HD22      LEU  36   3.907  -2.867  -5.077
  301   3HD2  LEU  36          HD23      LEU  36   4.889  -4.346  -5.117
  302    H    GLU  37           H        GLU  37   9.993  -2.368  -6.125
  303    HA   GLU  37           HA       GLU  37  11.593  -4.558  -6.915
  304   1HB   GLU  37          HB2       GLU  37  12.438  -1.795  -5.929
  305   2HB   GLU  37          HB3       GLU  37  13.436  -2.885  -6.847
  306   1HG   GLU  37          HG2       GLU  37  12.021  -2.676  -8.816
  307   2HG   GLU  37          HG3       GLU  37  10.805  -1.756  -7.918
  308    H    GLU  38           H        GLU  38  11.300  -2.905  -3.806
  309    HA   GLU  38           HA       GLU  38  13.817  -3.990  -2.747
  310   1HB   GLU  38          HB2       GLU  38  12.997  -1.539  -2.721
  311   2HB   GLU  38          HB3       GLU  38  11.836  -2.043  -1.500
  312   1HG   GLU  38          HG2       GLU  38  13.747  -2.777  -0.053
  313   2HG   GLU  38          HG3       GLU  38  14.873  -2.193  -1.294
  314    H    HIS  39           HN       HIS  39  10.355  -3.979  -2.081
  315    HA   HIS  39           HA       HIS  39  10.106  -4.581   0.467
  316   1HB   HIS  39          HB2       HIS  39   8.252  -4.112  -1.032
  317   2HB   HIS  39          HB3       HIS  39   8.413  -5.711  -1.770
  318    HD1  HIS  39           HD1      HIS  39   6.280  -6.991  -0.954
  319    HD2  HIS  39           HD2      HIS  39   8.266  -4.800   2.034
  320    HE1  HIS  39           HE1      HIS  39   4.981  -7.353   1.182
  321    HA   PRO  40           HA       PRO  40  12.100  -8.645   1.002
  322   1HB   PRO  40          HB2       PRO  40  10.809  -8.120   3.721
  323   2HB   PRO  40          HB3       PRO  40  12.359  -8.924   3.345
  324   1HG   PRO  40          HG2       PRO  40  12.393  -6.301   4.008
  325   2HG   PRO  40          HG3       PRO  40  13.311  -6.837   2.575
  326   1HD   PRO  40          HD2       PRO  40  10.552  -5.586   2.645
  327   2HD   PRO  40          HD3       PRO  40  11.965  -5.157   1.633
  328    H    GLY  41           H        GLY  41   8.666  -7.881   1.669
  329   1HA   GLY  41          HA1       GLY  41   7.803 -10.656   1.728
  330   2HA   GLY  41          HA2       GLY  41   6.798  -9.216   1.601
  331    H    GLY  42           H        GLY  42   8.821  -8.701  -0.920
  332   1HA   GLY  42          HA1       GLY  42   8.760  -9.148  -3.157
  333   2HA   GLY  42          HA2       GLY  42   7.715 -10.550  -2.882
  334    H    GLU  43           H        GLU  43   7.159  -9.056  -5.043
  335    HA   GLU  43           HA       GLU  43   5.267  -6.920  -4.453
  336   1HB   GLU  43          HB2       GLU  43   6.796  -6.591  -6.170
  337   2HB   GLU  43          HB3       GLU  43   6.352  -7.998  -7.087
  338   1HG   GLU  43          HG2       GLU  43   4.257  -5.924  -6.610
  339   2HG   GLU  43          HG3       GLU  43   5.568  -5.707  -7.807
  340    H    GLU  44           H        GLU  44   5.014 -10.271  -5.716
  341    HA   GLU  44           HA       GLU  44   2.453 -10.386  -6.510
  342   1HB   GLU  44          HB2       GLU  44   3.876 -12.510  -4.839
  343   2HB   GLU  44          HB3       GLU  44   2.454 -12.775  -5.855
  344   1HG   GLU  44          HG2       GLU  44   3.749 -12.052  -7.854
  345   2HG   GLU  44          HG3       GLU  44   5.201 -11.870  -6.854
  346    H    VAL  45           H        VAL  45   3.285 -11.055  -3.056
  347    HA   VAL  45           HA       VAL  45   0.509 -11.210  -2.224
  348    HB   VAL  45           HB       VAL  45   2.558 -12.271  -1.139
  349   1HG1  VAL  45          HG11      VAL  45   2.954  -9.534   0.155
  350   2HG1  VAL  45          HG12      VAL  45   3.874 -11.016   0.455
  351   3HG1  VAL  45          HG13      VAL  45   3.999 -10.204  -1.115
  352   1HG2  VAL  45          HG21      VAL  45   1.707 -12.065   1.155
  353   2HG2  VAL  45          HG22      VAL  45   0.716 -10.675   0.675
  354   3HG2  VAL  45          HG23      VAL  45   0.392 -12.273  -0.019
  355    H    LEU  46           H        LEU  46   2.622  -8.425  -2.801
  356    HA   LEU  46           HA       LEU  46   0.885  -6.619  -1.245
  357   1HB   LEU  46          HB2       LEU  46   2.825  -5.997  -3.521
  358   2HB   LEU  46          HB3       LEU  46   1.908  -4.834  -2.590
  359    HG   LEU  46           HG       LEU  46   3.949  -6.734  -1.359
  360   1HD1  LEU  46          HD11      LEU  46   5.173  -5.293  -2.807
  361   2HD1  LEU  46          HD12      LEU  46   4.162  -3.897  -2.413
  362   3HD1  LEU  46          HD13      LEU  46   5.299  -4.531  -1.215
  363   1HD2  LEU  46          HD21      LEU  46   2.351  -4.370  -0.288
  364   2HD2  LEU  46          HD22      LEU  46   2.389  -6.043   0.300
  365   3HD2  LEU  46          HD23      LEU  46   3.803  -5.000   0.511
  366    H    ARG  47           H        ARG  47   1.300  -7.740  -4.598
  367    HA   ARG  47           HA       ARG  47  -0.574  -6.118  -5.858
  368   1HB   ARG  47          HB2       ARG  47   1.196  -7.795  -6.756
  369   2HB   ARG  47          HB3       ARG  47  -0.064  -9.015  -6.663
  370   1HG   ARG  47          HG2       ARG  47  -0.030  -8.220  -8.866
  371   2HG   ARG  47          HG3       ARG  47  -1.517  -7.590  -8.144
  372   1HD   ARG  47          HD2       ARG  47  -0.701  -5.387  -8.037
  373   2HD   ARG  47          HD3       ARG  47   0.993  -5.872  -8.016
  374    HE   ARG  47           HE       ARG  47  -0.719  -5.369 -10.293
  375   1HH1  ARG  47          HH22      ARG  47   2.045  -7.357  -9.184
  376   2HH1  ARG  47          HH21      ARG  47   3.062  -7.034 -10.456
  377   1HH2  ARG  47          HH11      ARG  47   0.481  -5.308 -12.366
  378   2HH2  ARG  47          HH12      ARG  47   2.007  -6.140 -12.495
  379    H    GLU  48           H        GLU  48  -0.921  -9.383  -4.616
  380    HA   GLU  48           HA       GLU  48  -3.534 -10.142  -4.880
  381   1HB   GLU  48          HB2       GLU  48  -1.721 -11.405  -3.804
  382   2HB   GLU  48          HB3       GLU  48  -1.633 -10.207  -2.515
  383   1HG   GLU  48          HG2       GLU  48  -3.995 -10.901  -1.849
  384   2HG   GLU  48          HG3       GLU  48  -3.855 -12.224  -3.024
  385    H    GLN  49           H        GLN  49  -2.257  -7.869  -2.419
  386    HA   GLN  49           HA       GLN  49  -4.914  -7.483  -1.192
  387   1HB   GLN  49          HB2       GLN  49  -2.155  -6.385  -0.533
  388   2HB   GLN  49          HB3       GLN  49  -3.597  -6.274   0.471
  389   1HG   GLN  49          HG2       GLN  49  -2.372  -8.966  -0.333
  390   2HG   GLN  49          HG3       GLN  49  -1.826  -8.049   1.065
  391   1HE2  GLN  49          HE21      GLN  49  -3.517 -10.717   0.521
  392   2HE2  GLN  49          HE22      GLN  49  -4.797 -10.523   1.708
  393    H    ALA  50           H        ALA  50  -2.605  -5.845  -3.208
  394    HA   ALA  50           HA       ALA  50  -3.180  -3.151  -2.682
  395   1HB   ALA  50          HB1       ALA  50  -1.886  -2.763  -4.783
  396   2HB   ALA  50          HB2       ALA  50  -1.104  -3.958  -3.729
  397   3HB   ALA  50          HB3       ALA  50  -2.019  -4.484  -5.163
  398    H    GLY  51           H        GLY  51  -3.947  -1.565  -4.294
  399   1HA   GLY  51          HA1       GLY  51  -6.015  -0.640  -4.702
  400   2HA   GLY  51          HA2       GLY  51  -6.204  -1.875  -5.961
  401    H    GLY  52           H        GLY  52  -5.672  -1.771  -2.360
  402   1HA   GLY  52          HA1       GLY  52  -8.364  -1.946  -1.633
  403   2HA   GLY  52          HA2       GLY  52  -7.687  -3.595  -1.714
  404    H    ASP  53           H        ASP  53  -8.367  -3.045   0.462
  405    HA   ASP  53           HA       ASP  53  -6.639  -1.606   2.318
  406   1HB   ASP  53          HB2       ASP  53  -9.104  -1.777   2.664
  407   2HB   ASP  53          HB3       ASP  53  -8.938  -3.526   2.882
  408    H    ALA  54           H        ALA  54  -4.826  -2.339   3.190
  409    HA   ALA  54           HA       ALA  54  -4.630  -5.274   3.846
  410   1HB   ALA  54          HB1       ALA  54  -2.269  -3.606   2.946
  411   2HB   ALA  54          HB2       ALA  54  -2.346  -5.355   3.260
  412   3HB   ALA  54          HB3       ALA  54  -3.197  -4.651   1.869
  413    H    THR  55           H        THR  55  -5.547  -2.925   5.439
  414    HA   THR  55           HA       THR  55  -3.512  -1.962   7.082
  415    HB   THR  55           HB       THR  55  -6.452  -2.326   7.895
  416    HG1  THR  55           HG1      THR  55  -6.331  -1.213   5.965
  417   1HG2  THR  55          HG21      THR  55  -5.924  -0.267   9.207
  418   2HG2  THR  55          HG22      THR  55  -4.970  -1.658   9.756
  419   3HG2  THR  55          HG23      THR  55  -4.219  -0.433   8.705
  420    H    GLU  56           H        GLU  56  -5.836  -4.590   8.094
  421    HA   GLU  56           HA       GLU  56  -4.553  -5.202  10.501
  422   1HB   GLU  56          HB2       GLU  56  -6.120  -7.034   8.610
  423   2HB   GLU  56          HB3       GLU  56  -5.765  -7.333  10.313
  424   1HG   GLU  56          HG2       GLU  56  -7.032  -5.248  10.910
  425   2HG   GLU  56          HG3       GLU  56  -7.501  -5.071   9.207
  426    H    ASN  57           H        ASN  57  -4.235  -6.609   7.249
  427    HA   ASN  57           HA       ASN  57  -2.351  -8.540   7.688
  428   1HB   ASN  57          HB2       ASN  57  -3.666  -7.716   5.555
  429   2HB   ASN  57          HB3       ASN  57  -2.174  -6.844   5.183
  430   1HD2  ASN  57          HD21      ASN  57  -3.335  -8.930   3.603
  431   2HD2  ASN  57          HD22      ASN  57  -2.248 -10.310   3.650
  432    H    PHE  58           H        PHE  58  -1.685  -5.069   7.037
  433    HA   PHE  58           HA       PHE  58   1.134  -5.225   7.069
  434   1HB   PHE  58          HB2       PHE  58  -0.152  -3.290   6.278
  435   2HB   PHE  58          HB3       PHE  58  -0.683  -2.948   7.920
  436    HD1  PHE  58           HD1      PHE  58   2.708  -3.692   6.387
  437    HD2  PHE  58           HD2      PHE  58   0.217  -0.840   8.462
  438    HE1  PHE  58           HE1      PHE  58   4.592  -2.112   6.472
  439    HE2  PHE  58           HE2      PHE  58   2.101   0.766   8.487
  440    HZ   PHE  58           HZ       PHE  58   4.316   0.118   7.545
  441    H    GLU  59           H        GLU  59  -1.149  -4.626   9.812
  442    HA   GLU  59           HA       GLU  59   1.011  -4.482  11.765
  443   1HB   GLU  59          HB2       GLU  59  -2.005  -4.694  11.904
  444   2HB   GLU  59          HB3       GLU  59  -1.063  -5.065  13.351
  445   1HG   GLU  59          HG2       GLU  59  -0.675  -2.484  11.828
  446   2HG   GLU  59          HG3       GLU  59  -1.866  -2.671  13.117
  447    H    ASP  60           H        ASP  60  -1.394  -6.934  11.242
  448    HA   ASP  60           HA       ASP  60  -0.886  -9.131  12.592
  449   1HB   ASP  60          HB2       ASP  60  -2.488  -8.992  10.693
  450   2HB   ASP  60          HB3       ASP  60  -1.138  -8.943   9.575
  451    H    HIS  61           H        HIS  61   1.014  -8.556   9.592
  452    HA   HIS  61           HA       HIS  61   2.774 -10.729  10.013
  453   1HB   HIS  61          HB2       HIS  61   2.906  -8.235   8.308
  454   2HB   HIS  61          HB3       HIS  61   4.212  -9.425   8.312
  455    HD1  HIS  61           HD1      HIS  61   0.607 -10.806   8.466
  456    HD2  HIS  61           HD2      HIS  61   3.851 -10.163   5.852
  457    HE1  HIS  61           HE1      HIS  61   0.137 -12.149   6.370
  458    H    GLY  62           H        GLY  62   2.891  -7.664  11.606
  459   1HA   GLY  62          HA1       GLY  62   4.244  -7.047  13.345
  460   2HA   GLY  62          HA2       GLY  62   5.271  -8.462  13.080
  461    H    HIS  63           HN       HIS  63   4.374  -5.887  10.777
  462    HA   HIS  63           HA       HIS  63   6.963  -5.572   9.724
  463   1HB   HIS  63          HB2       HIS  63   4.426  -3.925   9.666
  464   2HB   HIS  63          HB3       HIS  63   5.905  -3.309   8.930
  465    HD1  HIS  63           HD1      HIS  63   3.230  -5.944   8.331
  466    HD2  HIS  63           HD2      HIS  63   6.820  -4.449   6.770
  467    HE1  HIS  63           HE1      HIS  63   3.382  -6.821   5.935
  468    H    SER  64           H        SER  64   8.677  -4.288  10.130
  469    HA   SER  64           HA       SER  64   8.972  -3.301  12.818
  470   1HB   SER  64          HB2       SER  64  10.752  -4.513  11.508
  471   2HB   SER  64          HB3       SER  64  10.910  -3.073  10.484
  472    HG   SER  64           HG       SER  64  12.244  -2.398  11.918
  473    H    THR  65           H        THR  65  10.354  -1.301  13.088
  474    HA   THR  65           HA       THR  65   8.791   1.079  12.651
  475    HB   THR  65           HB       THR  65  10.159   0.939  14.540
  476    HG1  THR  65           HG1      THR  65   9.836   2.981  13.601
  477   1HG2  THR  65          HG21      THR  65  12.608   1.050  14.532
  478   2HG2  THR  65          HG22      THR  65  12.106  -0.424  13.695
  479   3HG2  THR  65          HG23      THR  65  12.651   0.989  12.767
  480    H    ASP  66           H        ASP  66  11.786  -0.200  11.056
  481    HA   ASP  66           HA       ASP  66  12.301   1.663   9.173
  482   1HB   ASP  66          HB2       ASP  66  12.103  -1.325   8.539
  483   2HB   ASP  66          HB3       ASP  66  13.256  -0.150   7.904
  484    H    ALA  67           H        ALA  67   9.863  -0.932   8.799
  485    HA   ALA  67           HA       ALA  67   8.914  -0.173   6.207
  486   1HB   ALA  67          HB1       ALA  67   8.694  -2.460   7.107
  487   2HB   ALA  67          HB2       ALA  67   7.664  -1.866   8.413
  488   3HB   ALA  67          HB3       ALA  67   7.096  -1.774   6.738
  489    H    ARG  68           H        ARG  68   7.965   0.440   9.555
  490    HA   ARG  68           HA       ARG  68   5.474   1.704   8.987
  491   1HB   ARG  68          HB2       ARG  68   7.218   1.163  11.270
  492   2HB   ARG  68          HB3       ARG  68   6.279   2.633  11.501
  493   1HG   ARG  68          HG2       ARG  68   4.936   0.837  12.360
  494   2HG   ARG  68          HG3       ARG  68   4.230   1.205  10.785
  495   1HD   ARG  68          HD2       ARG  68   5.964  -0.716   9.975
  496   2HD   ARG  68          HD3       ARG  68   5.916  -1.142  11.676
  497    HE   ARG  68           HE       ARG  68   3.752  -1.195   9.623
  498   1HH1  ARG  68          HH22      ARG  68   4.774  -2.742  12.652
  499   2HH1  ARG  68          HH21      ARG  68   3.063  -2.851  13.203
  500   1HH2  ARG  68          HH11      ARG  68   1.634  -1.857  10.225
  501   2HH2  ARG  68          HH12      ARG  68   1.452  -2.526  11.850
  502    H    GLU  69           H        GLU  69   8.588   3.339   9.975
  503    HA   GLU  69           HA       GLU  69   8.102   5.903   9.136
  504   1HB   GLU  69          HB2       GLU  69  10.355   4.638   9.887
  505   2HB   GLU  69          HB3       GLU  69  10.619   4.550   8.152
  506   1HG   GLU  69          HG2       GLU  69  10.320   7.018   9.881
  507   2HG   GLU  69          HG3       GLU  69  11.692   6.542   8.875
  508    H    LEU  70           H        LEU  70   9.250   3.237   6.942
  509    HA   LEU  70           HA       LEU  70   9.085   4.728   4.681
  510   1HB   LEU  70          HB2       LEU  70   9.169   1.819   5.204
  511   2HB   LEU  70          HB3       LEU  70   8.255   2.150   3.796
  512    HG   LEU  70           HG       LEU  70  10.319   1.855   2.902
  513   1HD1  LEU  70          HD11      LEU  70  11.144   3.842   1.997
  514   2HD1  LEU  70          HD12      LEU  70   9.500   4.327   2.482
  515   3HD1  LEU  70          HD13      LEU  70  10.893   4.769   3.481
  516   1HD2  LEU  70          HD21      LEU  70  11.446   1.482   4.989
  517   2HD2  LEU  70          HD22      LEU  70  12.441   2.539   3.956
  518   3HD2  LEU  70          HD23      LEU  70  11.522   3.238   5.314
  519    H    SER  71           H        SER  71   6.330   3.127   6.228
  520    HA   SER  71           HA       SER  71   4.556   3.544   3.977
  521   1HB   SER  71          HB2       SER  71   2.824   2.767   5.380
  522   2HB   SER  71          HB3       SER  71   4.250   1.880   5.906
  523    HG   SER  71           HG       SER  71   4.441   3.537   7.579
  524    H    LYS  72           H        LYS  72   5.574   5.532   6.722
  525    HA   LYS  72           HA       LYS  72   3.597   7.613   6.263
  526   1HB   LYS  72          HB2       LYS  72   6.404   8.036   7.339
  527   2HB   LYS  72          HB3       LYS  72   4.970   9.047   7.570
  528   1HG   LYS  72          HG2       LYS  72   3.923   6.929   8.663
  529   2HG   LYS  72          HG3       LYS  72   5.574   6.315   8.771
  530   1HD   LYS  72          HD2       LYS  72   4.599   8.982   9.939
  531   2HD   LYS  72          HD3       LYS  72   4.647   7.466  10.825
  532   1HE   LYS  72          HE2       LYS  72   6.542   8.821  11.438
  533   2HE   LYS  72          HE3       LYS  72   7.091   7.337  10.658
  534   1HZ   LYS  72          HZ1       LYS  72   6.864   9.887   9.174
  535   2HZ   LYS  72          HZ2       LYS  72   8.231   9.424   9.970
  536   3HZ   LYS  72          HZ3       LYS  72   7.738   8.547   8.762
  537    H    THR  73           H        THR  73   6.961   7.113   5.243
  538    HA   THR  73           HA       THR  73   7.211   9.323   3.504
  539    HB   THR  73           HB       THR  73   8.603   6.637   3.695
  540    HG1  THR  73           HG1      THR  73   9.602   7.736   5.253
  541   1HG2  THR  73          HG21      THR  73  10.454   7.602   2.427
  542   2HG2  THR  73          HG22      THR  73   9.014   7.414   1.413
  543   3HG2  THR  73          HG23      THR  73   9.460   9.026   2.030
  544    H    PHE  74           H        PHE  74   5.706   6.153   2.921
  545    HA   PHE  74           HA       PHE  74   5.291   6.743   0.059
  546   1HB   PHE  74          HB2       PHE  74   4.263   4.484   1.786
  547   2HB   PHE  74          HB3       PHE  74   4.197   4.565   0.031
  548    HD1  PHE  74           HD1      PHE  74   5.282   2.287   1.636
  549    HD2  PHE  74           HD2      PHE  74   7.221   5.691  -0.176
  550    HE1  PHE  74           HE1      PHE  74   7.373   0.958   1.279
  551    HE2  PHE  74           HE2      PHE  74   9.328   4.413  -0.305
  552    HZ   PHE  74           HZ       PHE  74   9.416   2.085   0.637
  553    H    ILE  75           H        ILE  75   3.640   7.783   2.835
  554    HA   ILE  75           HA       ILE  75   0.964   7.543   2.014
  555    HB   ILE  75           HB       ILE  75   2.391   9.769   3.477
  556   1HG1  ILE  75          HG12      ILE  75   0.109   7.917   4.245
  557   2HG1  ILE  75          HG13      ILE  75   1.764   7.427   4.350
  558   1HG2  ILE  75          HG21      ILE  75  -0.571   9.731   2.737
  559   2HG2  ILE  75          HG22      ILE  75   0.155  10.781   3.971
  560   3HG2  ILE  75          HG23      ILE  75   0.616  10.979   2.293
  561   1HD1  ILE  75          HD11      ILE  75   1.097   8.192   6.551
  562   2HD1  ILE  75          HD12      ILE  75   2.205   9.414   5.890
  563   3HD1  ILE  75          HD13      ILE  75   0.460   9.712   5.904
  564    H    ILE  76           H        ILE  76  -0.171   8.113   0.318
  565    HA   ILE  76           HA       ILE  76   0.695  10.473  -1.349
  566    HB   ILE  76           HB       ILE  76  -0.278   9.163  -3.272
  567   1HG1  ILE  76          HG12      ILE  76   0.208   6.686  -1.609
  568   2HG1  ILE  76          HG13      ILE  76  -1.367   7.472  -1.509
  569   1HG2  ILE  76          HG21      ILE  76   2.130   9.467  -2.949
  570   2HG2  ILE  76          HG22      ILE  76   2.202   7.987  -1.980
  571   3HG2  ILE  76          HG23      ILE  76   1.755   7.910  -3.694
  572   1HD1  ILE  76          HD11      ILE  76  -0.358   6.878  -4.259
  573   2HD1  ILE  76          HD12      ILE  76  -0.947   5.537  -3.243
  574   3HD1  ILE  76          HD13      ILE  76  -2.012   6.887  -3.611
  575    H    GLY  77           H        GLY  77  -1.863   9.144   0.559
  576   1HA   GLY  77          HA1       GLY  77  -4.052  10.839  -0.521
  577   2HA   GLY  77          HA2       GLY  77  -3.969   9.203  -1.158
  578    H    GLU  78           H        GLU  78  -6.136   9.426   0.023
  579    HA   GLU  78           HA       GLU  78  -5.926   7.580   2.200
  580   1HB   GLU  78          HB2       GLU  78  -7.724  10.016   2.431
  581   2HB   GLU  78          HB3       GLU  78  -7.561   8.704   3.621
  582   1HG   GLU  78          HG2       GLU  78  -5.070   9.568   3.688
  583   2HG   GLU  78          HG3       GLU  78  -5.746  11.055   3.032
  584    H    LEU  79           H        LEU  79  -8.120   6.498   2.344
  585    HA   LEU  79           HA       LEU  79  -9.318   6.470  -0.341
  586   1HB   LEU  79          HB2       LEU  79  -9.888   4.375  -0.137
  587   2HB   LEU  79          HB3       LEU  79  -8.470   4.453   0.892
  588    HG   LEU  79           HG       LEU  79  -9.820   3.075   2.038
  589   1HD1  LEU  79          HD11      LEU  79 -10.369   3.876   3.999
  590   2HD1  LEU  79          HD12      LEU  79  -9.530   5.333   3.413
  591   3HD1  LEU  79          HD13      LEU  79 -11.332   5.227   3.364
  592   1HD2  LEU  79          HD21      LEU  79 -11.778   3.104   0.653
  593   2HD2  LEU  79          HD22      LEU  79 -12.198   3.296   2.381
  594   3HD2  LEU  79          HD23      LEU  79 -12.237   4.709   1.305
  595    H    HIS  80           H        HIS  80 -11.062   7.383  -0.929
  596    HA   HIS  80           HA       HIS  80 -11.859   9.342   0.544
  597   1HB   HIS  80          HB2       HIS  80 -12.084   9.152  -1.921
  598   2HB   HIS  80          HB3       HIS  80 -13.549   8.173  -1.692
  599    HD1  HIS  80           HD1      HIS  80 -15.768   9.759  -1.361
  600    HD2  HIS  80           HD2      HIS  80 -12.041  11.534  -0.658
  601    HE1  HIS  80           HE1      HIS  80 -16.245  12.178  -0.690
  602    HA   PRO  81           HA       PRO  81 -14.405   7.780   3.496
  603   1HB   PRO  81          HB2       PRO  81 -15.684  10.616   3.647
  604   2HB   PRO  81          HB3       PRO  81 -15.166   9.622   4.977
  605   1HG   PRO  81          HG2       PRO  81 -13.630  11.767   3.980
  606   2HG   PRO  81          HG3       PRO  81 -12.743  10.231   4.254
  607   1HD   PRO  81          HD2       PRO  81 -14.160  11.181   1.760
  608   2HD   PRO  81          HD3       PRO  81 -12.466  10.721   1.929
  609    H    ASP  82           H        ASP  82 -15.869   8.826   0.921
  610    HA   ASP  82           HA       ASP  82 -18.624   8.652   1.731
  611   1HB   ASP  82          HB2       ASP  82 -17.933   9.829  -0.381
  612   2HB   ASP  82          HB3       ASP  82 -17.412   8.263  -1.059
  613    H    ASP  83           H        ASP  83 -15.936   6.526   1.144
  614    HA   ASP  83           HA       ASP  83 -17.043   4.079   0.476
  615   1HB   ASP  83          HB2       ASP  83 -14.659   5.097   0.376
  616   2HB   ASP  83          HB3       ASP  83 -14.504   4.929   2.037
  617    H    ARG  84           H        ARG  84 -15.296   3.464   3.021
  618    HA   ARG  84           HA       ARG  84 -15.533   2.162   4.867
  619   1HB   ARG  84          HB2       ARG  84 -18.009   3.684   5.520
  620   2HB   ARG  84          HB3       ARG  84 -17.020   2.806   6.665
  621   1HG   ARG  84          HG2       ARG  84 -15.454   4.474   6.846
  622   2HG   ARG  84          HG3       ARG  84 -15.717   5.140   5.241
  623   1HD   ARG  84          HD2       ARG  84 -17.872   5.307   7.419
  624   2HD   ARG  84          HD3       ARG  84 -16.596   6.508   7.229
  625    HE   ARG  84           HE       ARG  84 -17.365   7.198   5.154
  626   1HH1  ARG  84          HH22      ARG  84 -19.624   4.684   6.280
  627   2HH1  ARG  84          HH21      ARG  84 -20.626   4.860   4.872
  628   1HH2  ARG  84          HH11      ARG  84 -18.658   7.474   3.562
  629   2HH2  ARG  84          HH12      ARG  84 -19.716   6.220   3.053
  630    HHA  HEM 201           HGM      HEM 201   9.332  -8.466   5.452
  631    HHB  HEM 201           HDM      HEM 201   8.645  -2.280   4.499
  632    HHC  HEM 201           HAM      HEM 201   2.382  -3.195   3.100
  633    HHD  HEM 201           HBM      HEM 201   3.328  -9.563   3.117
  634   1HMA  HEM 201          HM81      HEM 201  11.206  -3.331   4.231
  635   2HMA  HEM 201          HM82      HEM 201  10.691  -2.803   5.847
  636   3HMA  HEM 201          HM83      HEM 201  11.845  -4.128   5.664
  637   1HAA  HEM 201          HP71      HEM 201  10.106  -7.493   6.992
  638   2HAA  HEM 201          HP72      HEM 201  11.553  -7.230   5.912
  639   1HBA  HEM 201          HP73      HEM 201  12.209  -5.635   7.231
  640   2HBA  HEM 201          HP74      HEM 201  11.445  -6.834   8.395
  641   1HMB  HEM 201          HM11      HEM 201   6.764   0.109   4.763
  642   2HMB  HEM 201          HM12      HEM 201   7.891  -0.413   3.505
  643   3HMB  HEM 201          HM13      HEM 201   6.391   0.390   3.066
  644    HAB  HEM 201          HT2A      HEM 201   2.866  -1.168   2.475
  645   1HBB  HEM 201          HV2C      HEM 201   4.488   0.988   3.738
  646   2HBB  HEM 201          HV2T      HEM 201   2.635   0.924   3.425
  647   1HMC  HEM 201          HM31      HEM 201   0.601  -4.417   1.790
  648   2HMC  HEM 201          HM32      HEM 201  -0.294  -5.829   2.377
  649   3HMC  HEM 201          HM33      HEM 201   0.177  -4.543   3.516
  650    HAC  HEM 201          HT4A      HEM 201   0.698  -8.227   1.370
  651   1HBC  HEM 201          HV4C      HEM 201   0.942  -9.175   4.277
  652   2HBC  HEM 201          HV4T      HEM 201   0.034 -10.017   2.882
  653   1HMD  HEM 201          HM51      HEM 201   5.540 -12.277   4.504
  654   2HMD  HEM 201          HM52      HEM 201   4.146 -11.525   3.736
  655   3HMD  HEM 201          HM53      HEM 201   5.571 -11.922   2.761
  656   1HAD  HEM 201          HP61      HEM 201   7.867 -11.956   4.111
  657   2HAD  HEM 201          HP62      HEM 201   9.148 -10.669   4.246
  658   1HBD  HEM 201          HP63      HEM 201   7.492 -11.516   6.655
  659   2HBD  HEM 201          HP64      HEM 201   8.935 -12.498   6.080
  Start of MODEL   35
    1   1H    ALA   3          H1        ALA   3  -4.509  21.270   2.761
    2   2H    ALA   3          H2        ALA   3  -4.907  21.176   1.185
    3   3H    ALA   3          H3        ALA   3  -5.630  22.333   2.147
    4    HA   ALA   3           HA       ALA   3  -6.563  20.437   3.450
    5   1HB   ALA   3          HB1       ALA   3  -8.347  19.941   1.806
    6   2HB   ALA   3          HB2       ALA   3  -7.958  21.669   1.796
    7   3HB   ALA   3          HB3       ALA   3  -7.352  20.612   0.501
    8    H    VAL   4           H        VAL   4  -7.314  18.093   2.952
    9    HA   VAL   4           HA       VAL   4  -5.150  16.375   2.003
   10    HB   VAL   4           HB       VAL   4  -6.845  14.586   2.347
   11   1HG1  VAL   4          HG11      VAL   4  -6.597  16.424   4.732
   12   2HG1  VAL   4          HG12      VAL   4  -6.937  14.676   4.728
   13   3HG1  VAL   4          HG13      VAL   4  -5.369  15.265   4.159
   14   1HG2  VAL   4          HG21      VAL   4  -8.976  15.011   3.366
   15   2HG2  VAL   4          HG22      VAL   4  -8.745  16.761   3.297
   16   3HG2  VAL   4          HG23      VAL   4  -8.908  15.822   1.794
   17    H    LYS   5           H        LYS   5  -6.465  14.504   0.396
   18    HA   LYS   5           HA       LYS   5  -7.553  16.051  -1.936
   19   1HB   LYS   5          HB2       LYS   5  -5.340  14.041  -1.788
   20   2HB   LYS   5          HB3       LYS   5  -6.636  13.617  -2.904
   21   1HG   LYS   5          HG2       LYS   5  -4.997  14.734  -4.147
   22   2HG   LYS   5          HG3       LYS   5  -6.433  15.763  -4.064
   23   1HD   LYS   5          HD2       LYS   5  -5.358  17.139  -2.304
   24   2HD   LYS   5          HD3       LYS   5  -3.952  16.050  -2.302
   25   1HE   LYS   5          HE2       LYS   5  -3.535  16.604  -4.713
   26   2HE   LYS   5          HE3       LYS   5  -4.926  17.703  -4.695
   27   1HZ   LYS   5          HZ1       LYS   5  -3.777  19.018  -3.045
   28   2HZ   LYS   5          HZ2       LYS   5  -2.483  17.995  -3.072
   29   3HZ   LYS   5          HZ3       LYS   5  -2.870  18.870  -4.410
   30    H    TYR   6           H        TYR   6  -7.220  13.000  -0.121
   31    HA   TYR   6           HA       TYR   6  -8.147  11.109  -0.296
   32   1HB   TYR   6          HB2       TYR   6 -10.841  12.629  -0.405
   33   2HB   TYR   6          HB3       TYR   6 -10.547  10.906  -0.571
   34    HD1  TYR   6           HD1      TYR   6 -10.073   9.460   1.079
   35    HD2  TYR   6           HD2      TYR   6 -10.353  13.636   1.951
   36    HE1  TYR   6           HE1      TYR   6  -9.895   8.925   3.398
   37    HE2  TYR   6           HE2      TYR   6 -10.301  13.117   4.382
   38    HH   TYR   6           HH       TYR   6 -10.108  11.459   5.984
   39    H    TYR   7           H        TYR   7  -8.621   9.571  -1.392
   40    HA   TYR   7           HA       TYR   7  -8.638   9.699  -4.328
   41   1HB   TYR   7          HB2       TYR   7  -6.928   8.643  -2.062
   42   2HB   TYR   7          HB3       TYR   7  -7.005   7.726  -3.405
   43    HD1  TYR   7           HD1      TYR   7  -6.098  10.992  -1.927
   44    HD2  TYR   7           HD2      TYR   7  -5.937   8.827  -5.620
   45    HE1  TYR   7           HE1      TYR   7  -4.071  12.246  -2.570
   46    HE2  TYR   7           HE2      TYR   7  -3.783   9.961  -6.192
   47    HH   TYR   7           HH       TYR   7  -2.063  11.721  -3.669
   48    H    THR   8           H        THR   8  -9.978   8.108  -5.187
   49    HA   THR   8           HA       THR   8 -11.947   7.088  -3.266
   50    HB   THR   8           HB       THR   8 -13.235   6.733  -5.447
   51    HG1  THR   8           HG1      THR   8 -12.202   7.917  -7.218
   52   1HG2  THR   8          HG21      THR   8 -13.596   9.150  -5.767
   53   2HG2  THR   8          HG22      THR   8 -13.465   8.759  -4.035
   54   3HG2  THR   8          HG23      THR   8 -12.086   9.502  -4.899
   55    H    LEU   9           H        LEU   9 -12.549   4.875  -3.035
   56    HA   LEU   9           HA       LEU   9 -11.024   2.714  -3.704
   57   1HB   LEU   9          HB2       LEU   9 -12.824   2.411  -2.452
   58   2HB   LEU   9          HB3       LEU   9 -14.015   3.060  -3.583
   59    HG   LEU   9           HG       LEU   9 -12.421   0.522  -4.182
   60   1HD1  LEU   9          HD11      LEU   9 -13.326   0.162  -1.959
   61   2HD1  LEU   9          HD12      LEU   9 -14.935   0.704  -2.481
   62   3HD1  LEU   9          HD13      LEU   9 -14.238  -0.799  -3.126
   63   1HD2  LEU   9          HD21      LEU   9 -15.234   1.464  -4.957
   64   2HD2  LEU   9          HD22      LEU   9 -13.847   1.331  -6.056
   65   3HD2  LEU   9          HD23      LEU   9 -14.552  -0.119  -5.363
   66    H    GLU  10           H        GLU  10 -13.333   4.279  -5.950
   67    HA   GLU  10           HA       GLU  10 -13.104   2.795  -8.218
   68   1HB   GLU  10          HB2       GLU  10 -14.380   4.920  -7.961
   69   2HB   GLU  10          HB3       GLU  10 -12.884   5.843  -8.060
   70   1HG   GLU  10          HG2       GLU  10 -14.055   5.885 -10.193
   71   2HG   GLU  10          HG3       GLU  10 -12.512   5.048 -10.372
   72    H    GLU  11           H        GLU  11 -10.796   5.401  -7.329
   73    HA   GLU  11           HA       GLU  11  -8.896   4.696  -9.423
   74   1HB   GLU  11          HB2       GLU  11  -8.608   6.252  -6.756
   75   2HB   GLU  11          HB3       GLU  11  -7.344   6.081  -7.929
   76   1HG   GLU  11          HG2       GLU  11 -10.043   7.392  -8.512
   77   2HG   GLU  11          HG3       GLU  11  -8.611   8.270  -7.969
   78    H    ILE  12           H        ILE  12  -9.066   4.083  -5.930
   79    HA   ILE  12           HA       ILE  12  -6.489   3.162  -5.779
   80    HB   ILE  12           HB       ILE  12  -8.886   2.639  -3.979
   81   1HG1  ILE  12          HG12      ILE  12  -6.483   4.340  -3.282
   82   2HG1  ILE  12          HG13      ILE  12  -7.762   5.019  -4.301
   83   1HG2  ILE  12          HG21      ILE  12  -7.085   2.115  -2.181
   84   2HG2  ILE  12          HG22      ILE  12  -7.566   0.871  -3.320
   85   3HG2  ILE  12          HG23      ILE  12  -6.033   1.764  -3.559
   86   1HD1  ILE  12          HD11      ILE  12  -8.086   3.908  -1.485
   87   2HD1  ILE  12          HD12      ILE  12  -8.113   5.601  -1.990
   88   3HD1  ILE  12          HD13      ILE  12  -9.413   4.504  -2.491
   89    H    GLN  13           H        GLU  13  -9.445   1.331  -6.391
   90    HA   GLN  13           HA       GLU  13  -8.593  -1.374  -6.235
   91   1HB   GLN  13          HB2       GLU  13 -10.297   0.170  -8.267
   92   2HB   GLN  13          HB3       GLU  13 -10.049  -1.573  -8.409
   93   1HG   GLN  13          HG2       GLU  13 -11.297  -1.949  -6.358
   94   2HG   GLN  13          HG3       GLU  13 -11.571  -0.205  -6.198
   95    H    LYS  14           H        LYS  14  -8.348   1.072  -8.646
   96    HA   LYS  14           HA       LYS  14  -7.670  -0.562 -10.887
   97   1HB   LYS  14          HB2       LYS  14  -8.990   1.791 -10.317
   98   2HB   LYS  14          HB3       LYS  14  -7.465   2.456 -10.762
   99   1HG   LYS  14          HG2       LYS  14  -8.989   2.511 -12.575
  100   2HG   LYS  14          HG3       LYS  14  -7.819   1.240 -12.984
  101   1HD   LYS  14          HD2       LYS  14  -9.790   0.196 -13.545
  102   2HD   LYS  14          HD3       LYS  14  -9.630  -0.422 -11.912
  103   1HE   LYS  14          HE2       LYS  14 -11.325   2.027 -12.631
  104   2HE   LYS  14          HE3       LYS  14 -11.945   0.383 -12.746
  105   1HZ   LYS  14          HZ1       LYS  14 -11.026   1.607 -10.228
  106   2HZ   LYS  14          HZ2       LYS  14 -12.534   1.548 -10.752
  107   3HZ   LYS  14          HZ3       LYS  14 -11.802   0.150 -10.345
  108    H    HIS  15           H        HIS  15  -6.051   1.743  -8.756
  109    HA   HIS  15           HA       HIS  15  -3.390   1.463  -9.876
  110   1HB   HIS  15          HB2       HIS  15  -4.644   2.746  -7.439
  111   2HB   HIS  15          HB3       HIS  15  -2.906   2.442  -7.546
  112    HD1  HIS  15           HD1      HIS  15  -1.457   3.784  -8.991
  113    HD2  HIS  15           HD2      HIS  15  -5.541   4.581  -9.493
  114    HE1  HIS  15           HE1      HIS  15  -1.618   5.880 -10.519
  115    H    ASN  16           H        ASN  16  -3.816  -0.947  -9.893
  116    HA   ASN  16           HA       ASN  16  -1.857  -1.982  -7.946
  117   1HB   ASN  16          HB2       ASN  16  -3.088  -3.814  -7.121
  118   2HB   ASN  16          HB3       ASN  16  -4.101  -2.385  -6.908
  119   1HD2  ASN  16          HD21      ASN  16  -5.456  -4.529  -6.584
  120   2HD2  ASN  16          HD22      ASN  16  -6.391  -4.981  -8.009
  121    H    ASN  17           H        ASN  17  -2.173  -1.441 -10.914
  122    HA   ASN  17           HA       ASN  17  -1.769  -4.173 -12.047
  123   1HB   ASN  17          HB2       ASN  17  -3.062  -3.408 -13.937
  124   2HB   ASN  17          HB3       ASN  17  -3.992  -3.184 -12.449
  125   1HD2  ASN  17          HD21      ASN  17  -4.711  -1.781 -14.763
  126   2HD2  ASN  17          HD22      ASN  17  -4.370  -0.081 -14.489
  127    H    SER  18           H        SER  18   0.380  -2.327 -11.197
  128    HA   SER  18           HA       SER  18   2.547  -2.178 -11.905
  129   1HB   SER  18          HB2       SER  18   2.354  -4.238 -13.182
  130   2HB   SER  18          HB3       SER  18   1.598  -3.388 -14.546
  131    HG   SER  18           HG       SER  18   3.478  -2.127 -14.709
  132    H    LYS  19           H        LYS  19   1.303  -0.062 -11.574
  133    HA   LYS  19           HA       LYS  19   1.788   1.843 -13.799
  134   1HB   LYS  19          HB2       LYS  19  -0.808   1.074 -12.425
  135   2HB   LYS  19          HB3       LYS  19  -0.598   2.708 -12.963
  136   1HG   LYS  19          HG2       LYS  19  -0.419   0.250 -14.774
  137   2HG   LYS  19          HG3       LYS  19  -1.828   1.278 -14.554
  138   1HD   LYS  19          HD2       LYS  19  -1.127   2.480 -16.289
  139   2HD   LYS  19          HD3       LYS  19   0.072   3.178 -15.194
  140   1HE   LYS  19          HE2       LYS  19   1.698   1.359 -15.930
  141   2HE   LYS  19          HE3       LYS  19   0.463   0.751 -17.033
  142   1HZ   LYS  19          HZ1       LYS  19   2.047   2.162 -18.115
  143   2HZ   LYS  19          HZ2       LYS  19   0.566   2.878 -18.169
  144   3HZ   LYS  19          HZ3       LYS  19   1.712   3.420 -17.113
  145    H    SER  20           H        SER  20   0.072   1.942 -10.651
  146    HA   SER  20           HA       SER  20   2.400   2.577  -9.273
  147   1HB   SER  20          HB2       SER  20   1.310   4.862 -10.284
  148   2HB   SER  20          HB3       SER  20   0.479   4.801  -8.722
  149    HG   SER  20           HG       SER  20   2.340   5.087  -7.747
  150    H    THR  21           H        THR  21   1.980   1.942  -7.191
  151    HA   THR  21           HA       THR  21  -0.325   0.094  -7.202
  152    HB   THR  21           HB       THR  21   2.356  -0.332  -5.858
  153    HG1  THR  21           HG1      THR  21   2.860   0.355  -7.890
  154   1HG2  THR  21          HG21      THR  21   0.394  -2.175  -7.296
  155   2HG2  THR  21          HG22      THR  21   1.873  -2.661  -6.457
  156   3HG2  THR  21          HG23      THR  21   0.517  -1.996  -5.528
  157    H    TRP  22           H        TRP  22  -1.864   0.665  -5.768
  158    HA   TRP  22           HA       TRP  22  -1.195   2.350  -3.433
  159   1HB   TRP  22          HB2       TRP  22  -3.506   1.928  -5.314
  160   2HB   TRP  22          HB3       TRP  22  -3.786   2.744  -3.844
  161    HD1  TRP  22           HD1      TRP  22  -0.376   3.452  -5.358
  162    HE1  TRP  22           HE1      TRP  22  -0.262   5.597  -6.575
  163    HE3  TRP  22           HE3      TRP  22  -5.279   4.689  -5.017
  164    HZ2  TRP  22           HZ2      TRP  22  -2.240   7.563  -7.678
  165    HZ3  TRP  22           HZ3      TRP  22  -6.176   6.654  -6.185
  166    HH2  TRP  22           HH2      TRP  22  -4.725   7.993  -7.675
  167    H    LEU  23           H        LEU  23  -1.803   1.721  -1.285
  168    HA   LEU  23           HA       LEU  23  -3.942  -0.316  -1.034
  169   1HB   LEU  23          HB2       LEU  23  -1.981  -0.883   1.022
  170   2HB   LEU  23          HB3       LEU  23  -2.756  -1.934  -0.104
  171    HG   LEU  23           HG       LEU  23  -0.887  -1.052  -1.798
  172   1HD1  LEU  23          HD11      LEU  23   0.420  -0.879   0.932
  173   2HD1  LEU  23          HD12      LEU  23   1.111  -0.473  -0.671
  174   3HD1  LEU  23          HD13      LEU  23  -0.172   0.536   0.019
  175   1HD2  LEU  23          HD21      LEU  23  -0.378  -3.087   0.416
  176   2HD2  LEU  23          HD22      LEU  23  -1.147  -3.423  -1.148
  177   3HD2  LEU  23          HD23      LEU  23   0.555  -2.922  -1.087
  178    H    ILE  24           H        ILE  24  -4.972  -0.323   1.087
  179    HA   ILE  24           HA       ILE  24  -4.617   2.260   2.534
  180    HB   ILE  24           HB       ILE  24  -6.667   0.143   3.255
  181   1HG1  ILE  24          HG12      ILE  24  -7.462   2.371   1.384
  182   2HG1  ILE  24          HG13      ILE  24  -6.885   0.861   0.722
  183   1HG2  ILE  24          HG21      ILE  24  -6.710   3.150   3.560
  184   2HG2  ILE  24          HG22      ILE  24  -7.899   1.997   4.200
  185   3HG2  ILE  24          HG23      ILE  24  -6.252   1.983   4.816
  186   1HD1  ILE  24          HD11      ILE  24  -8.557  -0.461   1.780
  187   2HD1  ILE  24          HD12      ILE  24  -9.214   0.918   2.658
  188   3HD1  ILE  24          HD13      ILE  24  -9.328   0.849   0.886
  189    H    LEU  25           H        LEU  25  -3.607   2.469   4.296
  190    HA   LEU  25           HA       LEU  25  -3.218   0.163   6.154
  191   1HB   LEU  25          HB2       LEU  25  -1.156   1.839   4.880
  192   2HB   LEU  25          HB3       LEU  25  -0.956   1.506   6.603
  193    HG   LEU  25           HG       LEU  25  -1.036  -0.919   6.103
  194   1HD1  LEU  25          HD11      LEU  25  -1.229   0.038   3.246
  195   2HD1  LEU  25          HD12      LEU  25  -0.358  -1.464   3.628
  196   3HD1  LEU  25          HD13      LEU  25  -2.040  -1.317   4.090
  197   1HD2  LEU  25          HD21      LEU  25   1.110   0.278   6.378
  198   2HD2  LEU  25          HD22      LEU  25   1.269  -0.990   5.145
  199   3HD2  LEU  25          HD23      LEU  25   1.099   0.708   4.653
  200    H    HIS  26           H        HIS  26  -4.975   1.033   7.317
  201    HA   HIS  26           HA       HIS  26  -5.942   2.288   8.950
  202   1HB   HIS  26          HB2       HIS  26  -3.443   3.980   9.259
  203   2HB   HIS  26          HB3       HIS  26  -4.667   3.583  10.450
  204    HD1  HIS  26           HD1      HIS  26  -4.354   1.161  11.676
  205    HD2  HIS  26           HD2      HIS  26  -1.411   2.294   8.881
  206    HE1  HIS  26           HE1      HIS  26  -2.347  -0.371  12.050
  207    H    TYR  27           H        TYR  27  -6.902   2.915   6.680
  208    HA   TYR  27           HA       TYR  27  -8.150   4.382   5.555
  209   1HB   TYR  27          HB2       TYR  27  -7.679   6.076   8.016
  210   2HB   TYR  27          HB3       TYR  27  -8.495   6.715   6.605
  211    HD1  TYR  27           HD1      TYR  27  -8.677   3.680   8.854
  212    HD2  TYR  27           HD2      TYR  27 -10.801   6.566   6.442
  213    HE1  TYR  27           HE1      TYR  27 -10.846   2.722   9.587
  214    HE2  TYR  27           HE2      TYR  27 -12.932   5.715   7.307
  215    HH   TYR  27           HH       TYR  27 -13.983   3.913   8.359
  216    H    LYS  28           H        LYS  28  -4.990   5.709   6.427
  217    HA   LYS  28           HA       LYS  28  -4.893   7.519   4.155
  218   1HB   LYS  28          HB2       LYS  28  -2.836   6.305   6.031
  219   2HB   LYS  28          HB3       LYS  28  -2.348   7.215   4.595
  220   1HG   LYS  28          HG2       LYS  28  -4.043   8.266   6.903
  221   2HG   LYS  28          HG3       LYS  28  -2.326   8.574   6.612
  222   1HD   LYS  28          HD2       LYS  28  -3.246   9.328   4.204
  223   2HD   LYS  28          HD3       LYS  28  -4.739   9.560   5.154
  224   1HE   LYS  28          HE2       LYS  28  -3.807  11.327   6.407
  225   2HE   LYS  28          HE3       LYS  28  -2.144  10.829   6.062
  226   1HZ   LYS  28          HZ1       LYS  28  -2.429  11.542   3.788
  227   2HZ   LYS  28          HZ2       LYS  28  -3.934  12.066   4.021
  228   3HZ   LYS  28          HZ3       LYS  28  -2.714  12.782   4.815
  229    H    VAL  29           H        VAL  29  -3.515   7.183   2.271
  230    HA   VAL  29           HA       VAL  29  -3.741   4.415   1.193
  231    HB   VAL  29           HB       VAL  29  -4.189   7.104  -0.119
  232   1HG1  VAL  29          HG11      VAL  29  -3.025   5.647  -1.715
  233   2HG1  VAL  29          HG12      VAL  29  -4.239   4.378  -1.432
  234   3HG1  VAL  29          HG13      VAL  29  -4.719   5.944  -2.141
  235   1HG2  VAL  29          HG21      VAL  29  -6.010   4.674   0.130
  236   2HG2  VAL  29          HG22      VAL  29  -6.062   6.054   1.237
  237   3HG2  VAL  29          HG23      VAL  29  -6.421   6.288  -0.495
  238    H    TYR  30           H        TYR  30  -1.976   3.560   0.270
  239    HA   TYR  30           HA       TYR  30   0.597   5.021   0.624
  240   1HB   TYR  30          HB2       TYR  30  -0.499   2.275   1.291
  241   2HB   TYR  30          HB3       TYR  30   1.205   2.529   1.281
  242    HD1  TYR  30           HD1      TYR  30  -2.061   3.546   2.729
  243    HD2  TYR  30           HD2      TYR  30   2.194   3.599   3.306
  244    HE1  TYR  30           HE1      TYR  30  -2.378   4.451   4.970
  245    HE2  TYR  30           HE2      TYR  30   1.821   4.400   5.663
  246    HH   TYR  30           HH       TYR  30  -1.397   4.418   7.035
  247    H    ASP  31           H        ASP  31   1.731   5.183  -1.312
  248    HA   ASP  31           HA       ASP  31   1.153   3.221  -3.489
  249   1HB   ASP  31          HB2       ASP  31   0.912   5.727  -3.952
  250   2HB   ASP  31          HB3       ASP  31   2.697   5.784  -3.748
  251    H    LEU  32           H        LEU  32   2.844   1.863  -4.002
  252    HA   LEU  32           HA       LEU  32   5.490   2.517  -2.753
  253   1HB   LEU  32          HB2       LEU  32   4.982  -0.379  -3.212
  254   2HB   LEU  32          HB3       LEU  32   5.826   0.472  -1.916
  255    HG   LEU  32           HG       LEU  32   2.831   0.204  -2.164
  256   1HD1  LEU  32          HD11      LEU  32   4.876  -1.127  -0.320
  257   2HD1  LEU  32          HD12      LEU  32   3.119  -1.348  -0.223
  258   3HD1  LEU  32          HD13      LEU  32   3.989  -1.909  -1.654
  259   1HD2  LEU  32          HD21      LEU  32   4.346   2.069  -0.670
  260   2HD2  LEU  32          HD22      LEU  32   2.601   1.711  -0.536
  261   3HD2  LEU  32          HD23      LEU  32   3.765   0.864   0.491
  262    H    THR  33           H        THR  33   4.401   0.174  -5.207
  263    HA   THR  33           HA       THR  33   4.925  -0.208  -7.306
  264    HB   THR  33           HB       THR  33   5.638   2.754  -7.404
  265    HG1  THR  33           HG1      THR  33   3.612   2.732  -6.748
  266   1HG2  THR  33          HG21      THR  33   6.261   1.561  -9.505
  267   2HG2  THR  33          HG22      THR  33   4.658   0.798  -9.547
  268   3HG2  THR  33          HG23      THR  33   4.816   2.557  -9.734
  269    H    LYS  34           H        LYS  34   7.686   1.908  -6.225
  270    HA   LYS  34           HA       LYS  34   9.629   0.223  -7.680
  271   1HB   LYS  34          HB2       LYS  34   9.942   2.371  -5.535
  272   2HB   LYS  34          HB3       LYS  34  11.275   1.464  -6.267
  273   1HG   LYS  34          HG2       LYS  34  10.546   2.256  -8.529
  274   2HG   LYS  34          HG3       LYS  34   9.326   3.286  -7.747
  275   1HD   LYS  34          HD2       LYS  34  11.109   4.448  -6.481
  276   2HD   LYS  34          HD3       LYS  34  12.330   3.370  -7.188
  277   1HE   LYS  34          HE2       LYS  34  11.742   4.211  -9.473
  278   2HE   LYS  34          HE3       LYS  34  10.570   5.328  -8.750
  279   1HZ   LYS  34          HZ1       LYS  34  12.398   6.380  -7.591
  280   2HZ   LYS  34          HZ2       LYS  34  13.479   5.335  -8.263
  281   3HZ   LYS  34          HZ3       LYS  34  12.660   6.395  -9.215
  282    H    PHE  35           H        PHE  35   8.164   0.470  -4.463
  283    HA   PHE  35           HA       PHE  35  10.251  -0.998  -3.182
  284   1HB   PHE  35          HB2       PHE  35   8.337   0.583  -2.144
  285   2HB   PHE  35          HB3       PHE  35   7.440  -0.940  -2.065
  286    HD1  PHE  35           HD1      PHE  35   7.935  -2.506  -0.266
  287    HD2  PHE  35           HD2      PHE  35  10.723   0.657  -1.180
  288    HE1  PHE  35           HE1      PHE  35   9.449  -3.289   1.526
  289    HE2  PHE  35           HE2      PHE  35  12.189  -0.100   0.638
  290    HZ   PHE  35           HZ       PHE  35  11.563  -2.078   2.011
  291    H    LEU  36           H        LEU  36   7.397  -1.908  -4.832
  292    HA   LEU  36           HA       LEU  36   6.928  -4.587  -4.475
  293   1HB   LEU  36          HB2       LEU  36   7.525  -3.087  -7.063
  294   2HB   LEU  36          HB3       LEU  36   6.603  -4.546  -6.952
  295    HG   LEU  36           HG       LEU  36   5.737  -1.857  -6.028
  296   1HD1  LEU  36          HD11      LEU  36   4.514  -4.028  -7.795
  297   2HD1  LEU  36          HD12      LEU  36   3.858  -2.411  -7.557
  298   3HD1  LEU  36          HD13      LEU  36   5.398  -2.628  -8.409
  299   1HD2  LEU  36          HD21      LEU  36   5.133  -3.224  -4.188
  300   2HD2  LEU  36          HD22      LEU  36   3.687  -2.902  -5.129
  301   3HD2  LEU  36          HD23      LEU  36   4.468  -4.494  -5.250
  302    H    GLU  37           H        GLU  37   9.835  -3.202  -6.116
  303    HA   GLU  37           HA       GLU  37  11.101  -5.760  -6.617
  304   1HB   GLU  37          HB2       GLU  37  12.072  -2.866  -6.488
  305   2HB   GLU  37          HB3       GLU  37  13.130  -4.197  -6.860
  306   1HG   GLU  37          HG2       GLU  37  10.589  -3.880  -8.492
  307   2HG   GLU  37          HG3       GLU  37  11.956  -2.796  -8.777
  308    H    GLU  38           H        GLU  38  11.584  -3.160  -4.241
  309    HA   GLU  38           HA       GLU  38  13.841  -4.229  -2.936
  310   1HB   GLU  38          HB2       GLU  38  11.720  -2.321  -1.866
  311   2HB   GLU  38          HB3       GLU  38  13.360  -2.498  -1.244
  312   1HG   GLU  38          HG2       GLU  38  14.310  -1.647  -3.334
  313   2HG   GLU  38          HG3       GLU  38  12.714  -1.540  -4.087
  314    H    HIS  39           HN       HIS  39  10.431  -4.766  -2.422
  315    HA   HIS  39           HA       HIS  39  10.396  -5.368   0.266
  316   1HB   HIS  39          HB2       HIS  39   8.479  -4.737  -1.133
  317   2HB   HIS  39          HB3       HIS  39   8.527  -6.302  -1.948
  318    HD1  HIS  39           HD1      HIS  39   6.314  -7.380  -1.041
  319    HD2  HIS  39           HD2      HIS  39   8.608  -5.344   1.839
  320    HE1  HIS  39           HE1      HIS  39   5.058  -7.556   1.152
  321    HA   PRO  40           HA       PRO  40  12.031  -9.659   0.343
  322   1HB   PRO  40          HB2       PRO  40  10.673  -9.368   3.038
  323   2HB   PRO  40          HB3       PRO  40  12.196 -10.218   2.646
  324   1HG   PRO  40          HG2       PRO  40  12.338  -7.735   3.688
  325   2HG   PRO  40          HG3       PRO  40  13.320  -8.110   2.245
  326   1HD   PRO  40          HD2       PRO  40  10.637  -6.705   2.342
  327   2HD   PRO  40          HD3       PRO  40  12.132  -6.224   1.484
  328    H    GLY  41           H        GLY  41   8.734  -8.648   1.396
  329   1HA   GLY  41          HA1       GLY  41   7.422 -11.169   1.068
  330   2HA   GLY  41          HA2       GLY  41   6.679  -9.597   1.047
  331    H    GLY  42           H        GLY  42   8.708  -8.947  -1.359
  332   1HA   GLY  42          HA1       GLY  42   8.628  -9.017  -3.636
  333   2HA   GLY  42          HA2       GLY  42   7.631 -10.480  -3.557
  334    H    GLU  43           H        GLU  43   6.950  -8.968  -5.499
  335    HA   GLU  43           HA       GLU  43   5.270  -6.715  -4.919
  336   1HB   GLU  43          HB2       GLU  43   6.514  -6.680  -6.900
  337   2HB   GLU  43          HB3       GLU  43   5.976  -8.228  -7.460
  338   1HG   GLU  43          HG2       GLU  43   3.737  -7.561  -7.840
  339   2HG   GLU  43          HG3       GLU  43   4.033  -5.969  -7.133
  340    H    GLU  44           H        GLU  44   4.415  -9.838  -6.531
  341    HA   GLU  44           HA       GLU  44   1.760  -9.681  -6.601
  342   1HB   GLU  44          HB2       GLU  44   3.561 -12.008  -5.938
  343   2HB   GLU  44          HB3       GLU  44   1.811 -12.256  -6.045
  344   1HG   GLU  44          HG2       GLU  44   3.095 -12.681  -8.215
  345   2HG   GLU  44          HG3       GLU  44   1.671 -11.637  -8.306
  346    H    VAL  45           H        VAL  45   3.415 -10.859  -3.665
  347    HA   VAL  45           HA       VAL  45   1.182 -11.221  -2.014
  348    HB   VAL  45           HB       VAL  45   3.976 -10.199  -1.349
  349   1HG1  VAL  45          HG11      VAL  45   2.596  -9.565   0.536
  350   2HG1  VAL  45          HG12      VAL  45   1.813 -11.165   0.564
  351   3HG1  VAL  45          HG13      VAL  45   3.533 -10.991   0.980
  352   1HG2  VAL  45          HG21      VAL  45   4.313 -12.568  -0.601
  353   2HG2  VAL  45          HG22      VAL  45   2.676 -12.963  -1.156
  354   3HG2  VAL  45          HG23      VAL  45   3.924 -12.475  -2.324
  355    H    LEU  46           H        LEU  46   2.811  -8.117  -2.776
  356    HA   LEU  46           HA       LEU  46   1.114  -6.562  -0.967
  357   1HB   LEU  46          HB2       LEU  46   2.859  -5.735  -3.327
  358   2HB   LEU  46          HB3       LEU  46   2.044  -4.631  -2.238
  359    HG   LEU  46           HG       LEU  46   4.021  -6.702  -1.192
  360   1HD1  LEU  46          HD11      LEU  46   5.235  -5.416  -2.860
  361   2HD1  LEU  46          HD12      LEU  46   4.558  -3.907  -2.215
  362   3HD1  LEU  46          HD13      LEU  46   5.712  -4.830  -1.254
  363   1HD2  LEU  46          HD21      LEU  46   2.579  -5.623   0.470
  364   2HD2  LEU  46          HD22      LEU  46   4.237  -5.005   0.622
  365   3HD2  LEU  46          HD23      LEU  46   2.993  -4.013  -0.156
  366    H    ARG  47           H        ARG  47   1.232  -7.333  -4.459
  367    HA   ARG  47           HA       ARG  47  -0.821  -5.439  -5.044
  368   1HB   ARG  47          HB2       ARG  47   0.481  -7.585  -6.731
  369   2HB   ARG  47          HB3       ARG  47  -0.875  -6.582  -7.278
  370   1HG   ARG  47          HG2       ARG  47   0.613  -4.577  -6.408
  371   2HG   ARG  47          HG3       ARG  47   1.918  -5.757  -6.393
  372   1HD   ARG  47          HD2       ARG  47   0.361  -4.620  -8.749
  373   2HD   ARG  47          HD3       ARG  47   2.084  -4.553  -8.441
  374    HE   ARG  47           HE       ARG  47   2.446  -6.613  -9.302
  375   1HH1  ARG  47          HH22      ARG  47  -1.001  -5.813  -9.659
  376   2HH1  ARG  47          HH21      ARG  47  -1.394  -7.346 -10.367
  377   1HH2  ARG  47          HH11      ARG  47   1.850  -8.767  -9.939
  378   2HH2  ARG  47          HH12      ARG  47   0.305  -9.001 -10.685
  379    H    GLU  48           H        GLU  48  -0.926  -8.837  -4.490
  380    HA   GLU  48           HA       GLU  48  -3.567  -9.606  -4.809
  381   1HB   GLU  48          HB2       GLU  48  -1.673 -10.975  -4.017
  382   2HB   GLU  48          HB3       GLU  48  -1.603 -10.024  -2.530
  383   1HG   GLU  48          HG2       GLU  48  -2.630 -12.203  -2.123
  384   2HG   GLU  48          HG3       GLU  48  -3.872 -10.971  -1.909
  385    H    GLN  49           H        GLN  49  -2.273  -7.291  -2.433
  386    HA   GLN  49           HA       GLN  49  -4.982  -6.958  -1.169
  387   1HB   GLN  49          HB2       GLN  49  -2.231  -6.021  -0.279
  388   2HB   GLN  49          HB3       GLN  49  -3.739  -5.916   0.615
  389   1HG   GLN  49          HG2       GLN  49  -2.310  -8.521  -0.182
  390   2HG   GLN  49          HG3       GLN  49  -2.231  -7.726   1.385
  391   1HE2  GLN  49          HE21      GLN  49  -4.826  -9.030  -0.882
  392   2HE2  GLN  49          HE22      GLN  49  -5.735  -9.693   0.455
  393    H    ALA  50           H        ALA  50  -2.517  -5.411  -3.017
  394    HA   ALA  50           HA       ALA  50  -3.203  -2.693  -2.577
  395   1HB   ALA  50          HB1       ALA  50  -1.889  -2.138  -4.498
  396   2HB   ALA  50          HB2       ALA  50  -1.077  -3.482  -3.676
  397   3HB   ALA  50          HB3       ALA  50  -2.050  -3.758  -5.152
  398    H    GLY  51           H        GLY  51  -4.449  -1.245  -3.782
  399   1HA   GLY  51          HA1       GLY  51  -6.500  -0.641  -4.387
  400   2HA   GLY  51          HA2       GLY  51  -6.407  -1.796  -5.719
  401    H    GLY  52           H        GLY  52  -6.117  -1.735  -2.154
  402   1HA   GLY  52          HA1       GLY  52  -8.751  -1.891  -1.391
  403   2HA   GLY  52          HA2       GLY  52  -8.137  -3.572  -1.432
  404    H    ASP  53           H        ASP  53  -8.239  -3.580   0.743
  405    HA   ASP  53           HA       ASP  53  -6.591  -1.787   2.415
  406   1HB   ASP  53          HB2       ASP  53  -8.802  -2.319   3.330
  407   2HB   ASP  53          HB3       ASP  53  -8.456  -4.063   3.207
  408    H    ALA  54           H        ALA  54  -4.803  -2.346   3.513
  409    HA   ALA  54           HA       ALA  54  -4.134  -5.210   3.728
  410   1HB   ALA  54          HB1       ALA  54  -2.832  -4.232   1.727
  411   2HB   ALA  54          HB2       ALA  54  -1.926  -3.293   2.915
  412   3HB   ALA  54          HB3       ALA  54  -1.917  -5.071   2.992
  413    H    THR  55           H        THR  55  -5.102  -2.770   5.429
  414    HA   THR  55           HA       THR  55  -2.994  -1.990   7.095
  415    HB   THR  55           HB       THR  55  -5.939  -2.267   7.901
  416    HG1  THR  55           HG1      THR  55  -5.815  -1.074   6.019
  417   1HG2  THR  55          HG21      THR  55  -4.388  -1.715   9.769
  418   2HG2  THR  55          HG22      THR  55  -3.670  -0.427   8.775
  419   3HG2  THR  55          HG23      THR  55  -5.359  -0.298   9.328
  420    H    GLU  56           H        GLU  56  -5.489  -4.574   7.687
  421    HA   GLU  56           HA       GLU  56  -4.466  -5.380  10.183
  422   1HB   GLU  56          HB2       GLU  56  -6.063  -6.957   8.090
  423   2HB   GLU  56          HB3       GLU  56  -5.834  -7.394   9.786
  424   1HG   GLU  56          HG2       GLU  56  -6.925  -5.202  10.432
  425   2HG   GLU  56          HG3       GLU  56  -7.307  -4.935   8.719
  426    H    ASN  57           H        ASN  57  -4.001  -6.656   6.882
  427    HA   ASN  57           HA       ASN  57  -2.281  -8.747   7.442
  428   1HB   ASN  57          HB2       ASN  57  -3.412  -8.057   5.261
  429   2HB   ASN  57          HB3       ASN  57  -2.023  -6.997   4.967
  430   1HD2  ASN  57          HD21      ASN  57  -2.909  -9.318   3.363
  431   2HD2  ASN  57          HD22      ASN  57  -1.581 -10.469   3.442
  432    H    PHE  58           H        PHE  58  -1.314  -5.345   6.729
  433    HA   PHE  58           HA       PHE  58   1.472  -5.619   6.901
  434   1HB   PHE  58          HB2       PHE  58   0.227  -3.602   6.171
  435   2HB   PHE  58          HB3       PHE  58  -0.286  -3.312   7.824
  436    HD1  PHE  58           HD1      PHE  58   1.017  -1.890   9.214
  437    HD2  PHE  58           HD2      PHE  58   2.821  -3.691   5.737
  438    HE1  PHE  58           HE1      PHE  58   2.883  -0.281   9.349
  439    HE2  PHE  58           HE2      PHE  58   4.697  -2.067   5.875
  440    HZ   PHE  58           HZ       PHE  58   4.720  -0.343   7.660
  441    H    GLU  59           H        GLU  59  -0.882  -4.998   9.519
  442    HA   GLU  59           HA       GLU  59   1.090  -4.942  11.643
  443   1HB   GLU  59          HB2       GLU  59  -1.953  -5.195  11.588
  444   2HB   GLU  59          HB3       GLU  59  -0.984  -4.942  13.032
  445   1HG   GLU  59          HG2       GLU  59  -1.085  -3.027  10.626
  446   2HG   GLU  59          HG3       GLU  59  -2.000  -2.853  12.119
  447    H    ASP  60           H        ASP  60  -0.884  -7.378  10.207
  448    HA   ASP  60           HA       ASP  60  -0.855  -9.377  12.242
  449   1HB   ASP  60          HB2       ASP  60  -2.421  -9.252  10.212
  450   2HB   ASP  60          HB3       ASP  60  -1.042  -9.748   9.219
  451    H    HIS  61           H        HIS  61   1.112  -8.715   9.378
  452    HA   HIS  61           HA       HIS  61   3.278 -10.571   9.994
  453   1HB   HIS  61          HB2       HIS  61   3.092  -8.047   8.317
  454   2HB   HIS  61          HB3       HIS  61   4.595  -8.959   8.506
  455    HD1  HIS  61           HD1      HIS  61   3.929 -11.838   7.998
  456    HD2  HIS  61           HD2      HIS  61   2.055  -8.646   5.999
  457    HE1  HIS  61           HE1      HIS  61   3.043 -12.774   5.795
  458    H    GLY  62           H        GLY  62   2.671  -7.097  10.664
  459   1HA   GLY  62          HA1       GLY  62   3.151  -6.006  12.688
  460   2HA   GLY  62          HA2       GLY  62   4.185  -7.346  13.202
  461    H    HIS  63           HN       HIS  63   4.042  -5.276  10.302
  462    HA   HIS  63           HA       HIS  63   6.773  -5.250   9.780
  463   1HB   HIS  63          HB2       HIS  63   4.492  -3.416   9.058
  464   2HB   HIS  63          HB3       HIS  63   6.131  -3.059   8.518
  465    HD1  HIS  63           HD1      HIS  63   3.547  -5.908   8.158
  466    HD2  HIS  63           HD2      HIS  63   7.019  -4.286   6.442
  467    HE1  HIS  63           HE1      HIS  63   3.842  -7.056   5.903
  468    H    SER  64           H        SER  64   8.486  -4.364  10.647
  469    HA   SER  64           HA       SER  64   8.466  -3.030  13.053
  470   1HB   SER  64          HB2       SER  64  10.777  -3.019  11.075
  471   2HB   SER  64          HB3       SER  64  10.852  -3.146  12.840
  472    HG   SER  64           HG       SER  64   9.650  -5.193  12.523
  473    H    THR  65           H        THR  65   9.895  -1.072  13.485
  474    HA   THR  65           HA       THR  65   8.773   1.373  12.983
  475    HB   THR  65           HB       THR  65  11.391   1.969  13.442
  476    HG1  THR  65           HG1      THR  65  12.261  -0.100  12.967
  477   1HG2  THR  65          HG21      THR  65   9.668   0.388  15.408
  478   2HG2  THR  65          HG22      THR  65  11.063   1.404  15.824
  479   3HG2  THR  65          HG23      THR  65   9.604   2.146  15.139
  480    H    ASP  66           H        ASP  66  11.455  -0.101  11.185
  481    HA   ASP  66           HA       ASP  66  12.069   2.072   9.599
  482   1HB   ASP  66          HB2       ASP  66  12.432  -0.899   8.965
  483   2HB   ASP  66          HB3       ASP  66  13.439   0.446   8.419
  484    H    ALA  67           H        ALA  67  10.022  -0.735   8.926
  485    HA   ALA  67           HA       ALA  67   9.263  -0.033   6.248
  486   1HB   ALA  67          HB1       ALA  67   8.050  -1.927   8.294
  487   2HB   ALA  67          HB2       ALA  67   7.533  -1.812   6.596
  488   3HB   ALA  67          HB3       ALA  67   9.179  -2.351   6.997
  489    H    ARG  68           H        ARG  68   7.887   0.346   9.484
  490    HA   ARG  68           HA       ARG  68   5.479   1.715   8.950
  491   1HB   ARG  68          HB2       ARG  68   7.386   1.356  11.186
  492   2HB   ARG  68          HB3       ARG  68   6.446   2.809  11.342
  493   1HG   ARG  68          HG2       ARG  68   4.394   1.540  11.284
  494   2HG   ARG  68          HG3       ARG  68   5.227   0.077  10.713
  495   1HD   ARG  68          HD2       ARG  68   6.210  -0.380  12.803
  496   2HD   ARG  68          HD3       ARG  68   6.087   1.298  13.332
  497    HE   ARG  68           HE       ARG  68   4.120   0.865  14.286
  498   1HH1  ARG  68          HH22      ARG  68   4.537  -1.817  11.929
  499   2HH1  ARG  68          HH21      ARG  68   2.794  -2.141  11.935
  500   1HH2  ARG  68          HH11      ARG  68   1.971   0.110  14.490
  501   2HH2  ARG  68          HH12      ARG  68   1.429  -1.229  13.537
  502    H    GLU  69           H        GLU  69   8.685   3.249   9.657
  503    HA   GLU  69           HA       GLU  69   7.969   5.856   8.995
  504   1HB   GLU  69          HB2       GLU  69  10.218   4.703   9.934
  505   2HB   GLU  69          HB3       GLU  69  10.722   4.850   8.255
  506   1HG   GLU  69          HG2       GLU  69  11.460   6.786   9.550
  507   2HG   GLU  69          HG3       GLU  69  10.228   7.316   8.393
  508    H    LEU  70           H        LEU  70   9.290   3.314   6.840
  509    HA   LEU  70           HA       LEU  70   9.169   4.815   4.489
  510   1HB   LEU  70          HB2       LEU  70   9.454   1.976   5.147
  511   2HB   LEU  70          HB3       LEU  70   8.350   2.128   3.833
  512    HG   LEU  70           HG       LEU  70  10.396   1.869   2.800
  513   1HD1  LEU  70          HD11      LEU  70  10.586   4.882   2.834
  514   2HD1  LEU  70          HD12      LEU  70  10.725   3.748   1.484
  515   3HD1  LEU  70          HD13      LEU  70   9.129   4.120   2.184
  516   1HD2  LEU  70          HD21      LEU  70  11.790   2.035   4.784
  517   2HD2  LEU  70          HD22      LEU  70  12.484   3.012   3.475
  518   3HD2  LEU  70          HD23      LEU  70  11.612   3.804   4.809
  519    H    SER  71           H        SER  71   6.504   3.087   6.122
  520    HA   SER  71           HA       SER  71   4.659   3.436   3.940
  521   1HB   SER  71          HB2       SER  71   3.064   2.449   5.313
  522   2HB   SER  71          HB3       SER  71   4.550   1.779   5.961
  523    HG   SER  71           HG       SER  71   4.455   3.499   7.548
  524    H    LYS  72           H        LYS  72   5.574   5.499   6.641
  525    HA   LYS  72           HA       LYS  72   3.508   7.476   6.262
  526   1HB   LYS  72          HB2       LYS  72   6.395   8.076   7.028
  527   2HB   LYS  72          HB3       LYS  72   4.958   9.044   7.354
  528   1HG   LYS  72          HG2       LYS  72   4.112   7.237   8.847
  529   2HG   LYS  72          HG3       LYS  72   5.591   6.311   8.532
  530   1HD   LYS  72          HD2       LYS  72   6.934   8.308   9.261
  531   2HD   LYS  72          HD3       LYS  72   5.445   9.064   9.848
  532   1HE   LYS  72          HE2       LYS  72   5.144   7.285  11.518
  533   2HE   LYS  72          HE3       LYS  72   6.407   6.310  10.750
  534   1HZ   LYS  72          HZ1       LYS  72   6.810   8.419  12.640
  535   2HZ   LYS  72          HZ2       LYS  72   7.819   7.188  12.089
  536   3HZ   LYS  72          HZ3       LYS  72   7.761   8.507  11.269
  537    H    THR  73           H        THR  73   6.751   7.087   5.019
  538    HA   THR  73           HA       THR  73   6.940   9.272   3.263
  539    HB   THR  73           HB       THR  73   8.246   6.560   2.773
  540    HG1  THR  73           HG1      THR  73   8.575   7.100   4.968
  541   1HG2  THR  73          HG21      THR  73   9.209   9.384   2.268
  542   2HG2  THR  73          HG22      THR  73  10.108   7.875   1.978
  543   3HG2  THR  73          HG23      THR  73   8.648   8.223   1.037
  544    H    PHE  74           H        PHE  74   5.560   6.027   2.720
  545    HA   PHE  74           HA       PHE  74   4.980   6.471  -0.090
  546   1HB   PHE  74          HB2       PHE  74   3.892   4.453   1.885
  547   2HB   PHE  74          HB3       PHE  74   3.739   4.344   0.148
  548    HD1  PHE  74           HD1      PHE  74   6.712   5.197  -0.516
  549    HD2  PHE  74           HD2      PHE  74   4.835   2.253   1.996
  550    HE1  PHE  74           HE1      PHE  74   8.740   3.793  -0.642
  551    HE2  PHE  74           HE2      PHE  74   6.727   0.731   1.582
  552    HZ   PHE  74           HZ       PHE  74   8.837   1.652   0.640
  553    H    ILE  75           H        ILE  75   3.301   7.549   2.747
  554    HA   ILE  75           HA       ILE  75   0.663   7.312   1.761
  555    HB   ILE  75           HB       ILE  75   1.847   9.415   3.571
  556   1HG1  ILE  75          HG12      ILE  75  -0.201   7.191   4.029
  557   2HG1  ILE  75          HG13      ILE  75   1.512   6.936   4.127
  558   1HG2  ILE  75          HG21      ILE  75  -0.063  10.526   2.473
  559   2HG2  ILE  75          HG22      ILE  75  -1.074   9.086   2.729
  560   3HG2  ILE  75          HG23      ILE  75  -0.519  10.062   4.103
  561   1HD1  ILE  75          HD11      ILE  75   1.650   8.755   5.898
  562   2HD1  ILE  75          HD12      ILE  75  -0.120   8.798   5.904
  563   3HD1  ILE  75          HD13      ILE  75   0.725   7.316   6.379
  564    H    ILE  76           H        ILE  76  -0.267   7.989  -0.025
  565    HA   ILE  76           HA       ILE  76   0.689  10.501  -1.390
  566    HB   ILE  76           HB       ILE  76  -0.457   9.542  -3.369
  567   1HG1  ILE  76          HG12      ILE  76  -0.404   6.774  -2.218
  568   2HG1  ILE  76          HG13      ILE  76  -1.734   7.795  -1.681
  569   1HG2  ILE  76          HG21      ILE  76   1.982   9.379  -3.055
  570   2HG2  ILE  76          HG22      ILE  76   1.777   7.791  -2.292
  571   3HG2  ILE  76          HG23      ILE  76   1.319   8.034  -3.992
  572   1HD1  ILE  76          HD11      ILE  76  -2.361   6.523  -3.664
  573   2HD1  ILE  76          HD12      ILE  76  -2.446   8.268  -3.929
  574   3HD1  ILE  76          HD13      ILE  76  -1.074   7.344  -4.588
  575    H    GLY  77           H        GLY  77  -1.932   9.221   0.459
  576   1HA   GLY  77          HA1       GLY  77  -4.111  11.007  -0.586
  577   2HA   GLY  77          HA2       GLY  77  -3.968   9.368  -1.244
  578    H    GLU  78           H        GLU  78  -6.262   9.967   0.006
  579    HA   GLU  78           HA       GLU  78  -6.006   8.208   2.323
  580   1HB   GLU  78          HB2       GLU  78  -7.913  10.593   2.051
  581   2HB   GLU  78          HB3       GLU  78  -7.591   9.637   3.514
  582   1HG   GLU  78          HG2       GLU  78  -6.489  11.593   4.032
  583   2HG   GLU  78          HG3       GLU  78  -5.224  10.523   3.396
  584    H    LEU  79           H        LEU  79  -8.003   7.060   2.714
  585    HA   LEU  79           HA       LEU  79  -9.008   6.299   0.035
  586   1HB   LEU  79          HB2       LEU  79  -8.495   4.319   0.681
  587   2HB   LEU  79          HB3       LEU  79  -7.934   4.913   2.210
  588    HG   LEU  79           HG       LEU  79  -9.231   3.104   2.617
  589   1HD1  LEU  79          HD11      LEU  79  -9.822   5.314   3.965
  590   2HD1  LEU  79          HD12      LEU  79 -11.448   4.867   3.349
  591   3HD1  LEU  79          HD13      LEU  79 -10.503   3.704   4.290
  592   1HD2  LEU  79          HD21      LEU  79 -11.514   4.240   0.991
  593   2HD2  LEU  79          HD22      LEU  79 -10.411   2.947   0.488
  594   3HD2  LEU  79          HD23      LEU  79 -11.471   2.706   1.894
  595    H    HIS  80           H        HIS  80 -10.859   6.912  -0.744
  596    HA   HIS  80           HA       HIS  80 -12.006   8.830   0.659
  597   1HB   HIS  80          HB2       HIS  80 -12.094   8.703  -1.763
  598   2HB   HIS  80          HB3       HIS  80 -13.324   7.412  -1.644
  599    HD1  HIS  80           HD1      HIS  80 -15.841   8.344  -1.190
  600    HD2  HIS  80           HD2      HIS  80 -12.710  11.067  -0.585
  601    HE1  HIS  80           HE1      HIS  80 -16.908  10.518  -0.377
  602    HA   PRO  81           HA       PRO  81 -14.310   6.685   3.401
  603   1HB   PRO  81          HB2       PRO  81 -16.029   9.262   3.752
  604   2HB   PRO  81          HB3       PRO  81 -15.417   8.221   5.016
  605   1HG   PRO  81          HG2       PRO  81 -14.124  10.618   4.261
  606   2HG   PRO  81          HG3       PRO  81 -13.069   9.165   4.428
  607   1HD   PRO  81          HD2       PRO  81 -14.476  10.230   1.975
  608   2HD   PRO  81          HD3       PRO  81 -12.761   9.870   2.218
  609    H    ASP  82           H        ASP  82 -16.100   7.786   0.946
  610    HA   ASP  82           HA       ASP  82 -18.677   6.835   1.684
  611   1HB   ASP  82          HB2       ASP  82 -18.263   7.970  -0.510
  612   2HB   ASP  82          HB3       ASP  82 -17.181   6.645  -1.006
  613    H    ASP  83           H        ASP  83 -15.639   5.385   0.836
  614    HA   ASP  83           HA       ASP  83 -16.297   2.654   0.796
  615   1HB   ASP  83          HB2       ASP  83 -14.193   4.106   0.120
  616   2HB   ASP  83          HB3       ASP  83 -13.619   3.843   1.689
  617    H    ARG  84           H        ARG  84 -14.772   4.562   3.527
  618    HA   ARG  84           HA       ARG  84 -15.567   2.498   5.477
  619   1HB   ARG  84          HB2       ARG  84 -12.735   3.544   5.303
  620   2HB   ARG  84          HB3       ARG  84 -13.346   2.264   6.354
  621   1HG   ARG  84          HG2       ARG  84 -13.055   2.133   3.344
  622   2HG   ARG  84          HG3       ARG  84 -11.888   1.474   4.484
  623   1HD   ARG  84          HD2       ARG  84 -13.315  -0.323   5.107
  624   2HD   ARG  84          HD3       ARG  84 -14.761   0.539   4.594
  625    HE   ARG  84           HE       ARG  84 -14.371   0.201   2.346
  626   1HH1  ARG  84          HH22      ARG  84 -11.794  -1.422   4.141
  627   2HH1  ARG  84          HH21      ARG  84 -10.945  -1.917   2.708
  628   1HH2  ARG  84          HH11      ARG  84 -13.260  -0.191   0.611
  629   2HH2  ARG  84          HH12      ARG  84 -11.851  -1.232   0.542
  630    HHA  HEM 201           HGM      HEM 201   9.329  -9.047   5.569
  631    HHB  HEM 201           HDM      HEM 201   9.363  -2.792   4.177
  632    HHC  HEM 201           HAM      HEM 201   3.048  -3.084   3.014
  633    HHD  HEM 201           HBM      HEM 201   3.350  -9.554   3.176
  634   1HMA  HEM 201          HM81      HEM 201  12.007  -4.081   4.409
  635   2HMA  HEM 201          HM82      HEM 201  11.045  -3.255   5.657
  636   3HMA  HEM 201          HM83      HEM 201  12.089  -4.593   6.107
  637   1HAA  HEM 201          HP71      HEM 201  11.305  -8.344   5.928
  638   2HAA  HEM 201          HP72      HEM 201  12.306  -6.825   5.993
  639   1HBA  HEM 201          HP73      HEM 201  11.119  -6.101   7.954
  640   2HBA  HEM 201          HP74      HEM 201  11.783  -7.797   8.223
  641   1HMB  HEM 201          HM11      HEM 201   8.274  -0.506   2.608
  642   2HMB  HEM 201          HM12      HEM 201   7.098   0.188   3.762
  643   3HMB  HEM 201          HM13      HEM 201   8.452  -0.756   4.340
  644    HAB  HEM 201          HT2A      HEM 201   3.990  -1.263   1.836
  645   1HBB  HEM 201          HV2C      HEM 201   4.894   0.686   3.882
  646   2HBB  HEM 201          HV2T      HEM 201   3.129   0.336   3.301
  647   1HMC  HEM 201          HM31      HEM 201   0.270  -4.996   3.885
  648   2HMC  HEM 201          HM32      HEM 201   1.009  -3.797   2.811
  649   3HMC  HEM 201          HM33      HEM 201   0.247  -5.235   2.120
  650    HAC  HEM 201          HT4A      HEM 201   1.001  -8.773   3.722
  651   1HBC  HEM 201          HV4C      HEM 201   0.405  -7.467   1.032
  652   2HBC  HEM 201          HV4T      HEM 201  -0.039  -9.183   1.606
  653   1HMD  HEM 201          HM51      HEM 201   5.336 -12.447   4.426
  654   2HMD  HEM 201          HM52      HEM 201   4.072 -11.593   3.534
  655   3HMD  HEM 201          HM53      HEM 201   5.553 -12.084   2.701
  656   1HAD  HEM 201          HP61      HEM 201   7.742 -12.303   4.157
  657   2HAD  HEM 201          HP62      HEM 201   9.073 -11.142   4.610
  658   1HBD  HEM 201          HP63      HEM 201   8.391 -11.187   6.916
  659   2HBD  HEM 201          HP64      HEM 201   6.913 -12.193   6.489