*HEADER   ELECTRON TRANSPORT                      17-AUG-98   3GRX    
*TITLE    NMR STRUCTURE OF ESCHERICHIA COLI GLUTAREDOXIN 3-GLUTATHIONE
*TITLE   2 MIXED DISULFIDE COMPLEX, 20 STRUCTURES                     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: GLUTAREDOXIN 3;                                  
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 MUTATION: C14S, C65Y;                                      
*COMPND  6 OTHER_DETAILS: COVALENT COMPLEX WITH GLUTATHIONE           
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                     
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  4 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: PET-24D                         
*KEYWDS   ELECTRON TRANSPORT, THIOL-DISULFIDE OXIDOREDUCTASE,         
*KEYWDS  2 THIOLTRANSFERASE, THIOREDOXIN SUPERFAMILY                  
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   K.NORDSTRAND,F.ASLUND,A.HOLMGREN,G.OTTING,K.D.BERNDT        
*REVDAT  1   30-MAR-99 3GRX    0                                      
 
NOEUPP  ALA    1  HA  ASN    2  H    2.70      QB  VAL    3  H    6.50
NOEUPP  ALA    1  QB  ASP   58  H    6.50      QB  LEU   81  QQD  7.67
NOEUPP  ALA    1  QB  LYS   82  H    6.50                             
NOEUPP  ASN    2  H   ASN    2 1HB   3.20      H   ASN    2 2HB   3.20
NOEUPP  ASN    2  H   ASN    2 1HD2  5.50      H   VAL    3  H    3.30
NOEUPP  ASN    2  H   ILE   57  QG2  6.50      H   ASP   58  H    4.10
NOEUPP  ASN    2  H   ASP   58  HA   4.10      HA  VAL    3  H    2.60
NOEUPP  ASN    2 1HB  ASP   58  H    5.50     1HB  ASP   58  HA   5.40
NOEUPP  ASN    2 2HB  ASP   58  H    5.00     2HB  ASP   58  HA   5.10
NOEUPP  ASN    2 1HD2 GLU    4  H    5.50     2HD2 GLU    4  QG   6.50
NOEUPP  VAL    3  H   VAL    3  HB   3.00      H   PHE   28  HA   4.00
NOEUPP  VAL    3  HA  GLU    4  H    2.60      HA  ILE   57 1HG1  4.60
NOEUPP  VAL    3  HA  ASP   58  H    4.30      HB  PHE   28  H    5.50
NOEUPP  VAL    3  HB  PHE   28  HA   3.30      HB  PHE   28  QB   4.90
NOEUPP  VAL    3  HB  PHE   28  QD   7.50      HB  GLN   29  H    5.50
NOEUPP  VAL    3  QG1 GLU    4  H    4.90      QG1 GLU    4  HA   6.50
NOEUPP  VAL    3  QG1 LEU   21  QD1  5.60      QG1 PHE   28  HA   6.50
NOEUPP  VAL    3  QG1 PHE   28  QB   6.00      QG1 PHE   28  QD   8.50
NOEUPP  VAL    3  QG1 GLN   29  H    6.50      QG1 PHE   56  H    6.50
NOEUPP  VAL    3  QG2 GLU    4  H    6.50      QG2 PHE   28  HA   6.50
NOEUPP  VAL    3  QG2 PHE   28  QB   7.50      QG2 PHE   28  QD   8.50
NOEUPP  VAL    3  QG2 ASP   58  H    6.50                             
NOEUPP  GLU    4  H   GLU    4 1HB   3.60      H   GLU    4 2HB   3.90
NOEUPP  GLU    4  H   GLU    4  QG   5.30      H   ILE   55  QG2  6.50
NOEUPP  GLU    4  H   PHE   56  H    2.90      H   PHE   56 1HB   5.30
NOEUPP  GLU    4  H   ILE   57  QG2  6.50      HA  GLU    4 2HB   2.90
NOEUPP  GLU    4  HA  ILE    5  H    2.60      HA  ILE    5  QG2  6.50
NOEUPP  GLU    4  HA  PHE   28  HA   4.40      HA  PHE   28  QB   6.50
NOEUPP  GLU    4  HA  GLN   29  H    3.40      HA  GLN   29 1HB   3.80
NOEUPP  GLU    4  HA  GLN   29 2HB   3.00      HA  LEU   31  QD2  6.50
NOEUPP  GLU    4 1HB  LEU   31  QD2  5.50     1HB  PHE   56  H    4.90
NOEUPP  GLU    4 1HB  PHE   56 1HB   3.00     1HB  PHE   56 2HB   5.50
NOEUPP  GLU    4 1HB  PHE   56  QD   7.50     2HB  ILE    5  H    3.70
NOEUPP  GLU    4 2HB  LEU   31  QD2  4.80     2HB  PHE   56 1HB   5.40
NOEUPP  GLU    4 2HB  PHE   56  QD   7.50      QG  LEU   31  QD1  7.50
NOEUPP  GLU    4  QG  LEU   31  QD2  7.50      QG  PHE   56  H    6.50
NOEUPP  GLU    4  QG  PHE   56  QD   8.50                             
NOEUPP  ILE    5  H   ILE    5  QG2  4.20      H   ILE    5  QD1  6.50
NOEUPP  ILE    5  H   PHE   28  QB   6.50      H   GLN   29  H    4.90
NOEUPP  ILE    5  H   GLU   30  HA   3.30      H   LEU   31  H    3.80
NOEUPP  ILE    5  H   LEU   31  HG   5.50      H   LEU   31  QD2  6.40
NOEUPP  ILE    5  HA  ILE    5  HB   2.90      HA  TYR    6  H    2.40
NOEUPP  ILE    5  HA  GLN   54  H    4.00      HA  ILE   55  HA   3.00
NOEUPP  ILE    5  HA  ILE   55  QG2  6.50      HA  ILE   55  QG1  6.38
NOEUPP  ILE    5  HA  ILE   55  QD1  6.50      HA  PHE   56  H    4.00
NOEUPP  ILE    5  QG2 TYR    6  H    6.50      QG2 THR    7  QG2  5.20
NOEUPP  ILE    5  QG2 LEU   21  QD1  6.90      QG2 PHE   28  QB   7.00
NOEUPP  ILE    5  QG2 PHE   28  QD   7.50      QG2 PHE   28  QE   8.50
NOEUPP  ILE    5  QG2 GLN   29  H    6.50      QG2 GLU   30  HA   5.10
NOEUPP  ILE    5  QG2 GLU   30 2HB   6.50      QG2 GLU   30  QG   7.50
NOEUPP  ILE    5  QG2 LEU   31  H    6.50     1HG1 TYR    6  H    5.40
NOEUPP  ILE    5 2HG1 TYR    6  H    5.40      QG1 TYR    6  H    4.71
NOEUPP  ILE    5  QG1 SER   14 1HB   6.38      QG1 LEU   21  QD1  6.08
NOEUPP  ILE    5  QG1 GLN   54  H    6.38      QG1 ILE   55  HA   6.38
NOEUPP  ILE    5  QD1 THR    7  QG2  5.40      QD1 SER   14  HA   6.50
NOEUPP  ILE    5  QD1 HIS   15  HA   6.50      QD1 ALA   17  QB   5.00
NOEUPP  ILE    5  QD1 LYS   18  H    6.50      QD1 LYS   18  HA   6.40
NOEUPP  ILE    5  QD1 LYS   18  QG   6.48      QD1 LEU   21 1HB   6.50
NOEUPP  ILE    5  QD1 LEU   21  HG   6.50      QD1 PHE   28  QD   8.50
NOEUPP  ILE    5  QD1 PHE   28  QE   8.50      QD1 PRO   53 1HB   6.50
NOEUPP  ILE    5  QD1 PRO   53 2HB   6.50      QD1 PRO   53  QB   5.91
NOEUPP  ILE    5  QD1 ILE   55  QG1  7.38      QD1 ILE   55  QD1  6.90
NOEUPP  TYR    6  H   TYR    6 1HB   3.10      H   TYR    6 2HB   3.80
NOEUPP  TYR    6  H   TYR    6  QE   6.50      H   PRO   53  HA   4.60
NOEUPP  TYR    6  H   GLN   54  H    3.20      H   GLN   54 1HB   5.50
NOEUPP  TYR    6  H   ILE   55  HA   3.90      HA  TYR    6 2HB   3.00
NOEUPP  TYR    6  HA  THR    7  H    2.50      HA  THR    7  QG2  6.00
NOEUPP  TYR    6  HA  LEU   31 1HB   3.10      HA  LEU   31 2HB   4.80
NOEUPP  TYR    6  HA  LEU   31  QD2  6.50      HA  ILE   33 2HG1  5.50
NOEUPP  TYR    6 1HB  THR    7  H    4.90     1HB  ILE   33  QG2  6.50
NOEUPP  TYR    6 1HB  PRO   53  HA   5.50     1HB  GLN   54  H    3.70
NOEUPP  TYR    6 2HB  THR    7  H    3.90     2HB  ILE   33  QG2  5.10
NOEUPP  TYR    6 2HB  MET   43  QE   6.50     2HB  VAL   52  QG1  6.50
NOEUPP  TYR    6 2HB  VAL   52  QG2  6.50      QD  LEU   31 1HB   6.70
NOEUPP  TYR    6  QD  LEU   31 2HB   7.50      QD  LEU   31  QD1  8.50
NOEUPP  TYR    6  QD  LEU   31  QD2  8.50      QD  ILE   33  QG2  6.90
NOEUPP  TYR    6  QD  MET   43  HA   7.50      QD  MET   43 1HB   6.90
NOEUPP  TYR    6  QD  MET   43  QG   8.50      QD  MET   43  QE   8.50
NOEUPP  TYR    6  QD  VAL   52  QG2  8.50      QE  LEU   31 1HB   7.50
NOEUPP  TYR    6  QE  LEU   31 2HB   7.50      QE  LEU   31  QD1  8.50
NOEUPP  TYR    6  QE  LEU   31  QD2  8.50      QE  ILE   33  QG2  8.50
NOEUPP  TYR    6  QE  ILE   33 2HG1  7.50      QE  LYS   39  HA   7.50
NOEUPP  TYR    6  QE  LYS   39  QB   8.38      QE  LYS   39  QD   7.90
NOEUPP  TYR    6  QE  GLU   42 1HB   7.50      QE  GLU   42 2HB   7.50
NOEUPP  TYR    6  QE  MET   43  H    7.50      QE  MET   43  HA   7.50
NOEUPP  TYR    6  QE  MET   43 1HB   7.50      QE  ARG   46 1HD   7.50
NOEUPP  TYR    6  QE  ARG   46 2HD   7.50      QE  ARG   46  QD   7.20
NOEUPP  TYR    6  QE  PHE   56  QD   9.50      QE  PHE   56  QE   9.00
NOEUPP  THR    7  H   THR    7  HB   4.20      H   THR    7  QG2  4.20
NOEUPP  THR    7  H   LEU   31  H    4.10      H   PRO   32  HA   3.20
NOEUPP  THR    7  H   ILE   33  H    3.90      H   ILE   33  QG2  6.20
NOEUPP  THR    7  H   ILE   33 2HG1  5.20      HA  LYS    8  H    3.20
NOEUPP  THR    7  HA  VAL   52  HB   5.50      HA  VAL   52  QG1  6.50
NOEUPP  THR    7  HA  VAL   52  QG2  6.50      HB  LYS    8  H    3.00
NOEUPP  THR    7  HB  LYS    8  HA   5.10      HB  SER   14 1HB   5.50
NOEUPP  THR    7  QG2 LYS    8  H    6.50      QG2 SER   14  HG   6.50
NOEUPP  THR    7  QG2 HIS   15  HA   6.50      QG2 LYS   18  QE   7.38
NOEUPP  THR    7  QG2 GLU   30  QG   4.40      QG2 LEU   31  H    6.50
NOEUPP  LYS    8  H   LYS    8 2HB   3.90      H   SER   14 1HB   5.50
NOEUPP  LYS    8  H   SER   14 2HB   5.50      H   SER   14  HG   4.60
NOEUPP  LYS    8  H   VAL   52  QG1  6.50      H   VAL   52  QG2  6.50
NOEUPP  LYS    8  HA  GLU    9  H    2.60      HA  GLU    9  HA   5.00
NOEUPP  LYS    8  HA  PRO   32  HA   3.40      HA  ILE   33  H    4.20
NOEUPP  LYS    8  HA  ILE   33  HB   5.50      HA  ASP   34  H    4.00
NOEUPP  LYS    8  HA  VAL   52  QG2  6.50     1HB  GLU    9  H    4.10
NOEUPP  LYS    8 1HB  CYS   11  QB   6.50     2HB  GLU    9  H    4.70
NOEUPP  LYS    8 2HB  CYS   11  QB   6.20      QG  GLU    9  H    6.40
NOEUPP  LYS    8  QG  CYS   11  H    6.50      QG  ILE   33  H    6.50
NOEUPP  LYS    8  QG  ASP   34  H    6.50      QE  VAL   52  H    6.50
NOEUPP  GLU    9  H   GLU    9 1HB   3.30      H   GLU    9 2HB   3.30
NOEUPP  GLU    9  H   GLU    9  QB   3.08      H   THR   10  QG2  6.50
NOEUPP  GLU    9  H   ASP   34  QB   6.50      HA  GLU    9  QG   3.91
NOEUPP  GLU    9  HA  CYS   11  H    4.70      QG  THR   10  QG2  7.38
NOEUPP  THR   10  HA  THR   10  HB   3.00                             
NOEUPP  CYS   11  H   SER   14 2HB   4.90      H   HIS   15  HD2  5.50
NOEUPP  CYS   11  HA  PRO   12 1HD   2.80      HA  PRO   12 2HD   2.80
NOEUPP  CYS   11  HA  TYR   13  H    4.90      HA  SER   14  H    4.60
NOEUPP  CYS   11  CB  GTT   83  SG2  3.10      QB  PRO   12  QD   7.38
NOEUPP  CYS   11  QB  SER   14  HG   5.10      QB  VAL   52  QG1  7.50
NOEUPP  CYS   11  QB  VAL   52  QG2  7.50      QB  GTT   83 2HB1  6.50
NOEUPP  CYS   11  SG  GTT   83  CB2  3.10      SG  GTT   83  SG2  2.10
NOEUPP  PRO   12  HA  HIS   15  H    3.70      HA  HIS   15  QB   4.50
NOEUPP  PRO   12  HA  HIS   15  HD2  4.10      HA  ARG   16  H    4.70
NOEUPP  PRO   12 1HB  TYR   13  H    3.40     1HB  TYR   13  QD   7.50
NOEUPP  PRO   12 1HB  HIS   15  H    4.90      QG  TYR   13  H    5.33
NOEUPP  PRO   12  QG  TYR   13  QD   8.38     1HD  TYR   13  H    5.30
NOEUPP  PRO   12 2HD  TYR   13  H    5.30      QD  TYR   13  H    4.88
NOEUPP  PRO   12  QD  TYR   13  QD   8.38                             
NOEUPP  TYR   13  H   TYR   13 1HB   3.70      H   TYR   13 2HB   3.20
NOEUPP  TYR   13  H   TYR   13  QE   6.50      H   SER   14  H    3.20
NOEUPP  TYR   13  HA  TYR   13 1HB   3.00      HA  ARG   16  H    3.80
NOEUPP  TYR   13  HA  ARG   16 2HB   3.60      HA  ALA   17  H    4.40
NOEUPP  TYR   13  HA  TYR   65 1HB   5.50      HA  TYR   65  QE   7.50
NOEUPP  TYR   13 1HB  GTT   83 1HG1  5.00     1HB  GTT   83 2HG1  5.50
NOEUPP  TYR   13 1HB  GTT   83  HN2  5.50     2HB  SER   14  H    3.80
NOEUPP  TYR   13 2HB  PRO   53  QD   6.38     2HB  GTT   83 1HG1  4.80
NOEUPP  TYR   13 2HB  GTT   83 2HG1  5.50      QD  SER   14  H    7.50
NOEUPP  TYR   13  QD  ARG   16  QD   8.38      QD  TYR   65  H    7.50
NOEUPP  TYR   13  QD  TYR   65 1HB   7.50      QD  TYR   65 2HB   7.00
NOEUPP  TYR   13  QD  TYR   65  QE   9.50      QD  GTT   83 2HB1  7.50
NOEUPP  TYR   13  QD  GTT   83 1HG1  7.50      QD  GTT   83  HN2  7.50
NOEUPP  TYR   13  QE  SER   14  H    7.50      QE  ARG   16  QD   8.38
NOEUPP  TYR   13  QE  TYR   65 2HB   7.50      QE  GTT   83 2HB1  7.50
NOEUPP  SER   14  H   SER   14 1HB   3.10      H   SER   14 2HB   2.60
NOEUPP  SER   14  H   SER   14  HG   5.50      H   HIS   15  H    2.80
NOEUPP  SER   14  H   ARG   16  H    5.30      HA  SER   14 1HB   2.70
NOEUPP  SER   14  HA  ALA   17  H    3.80      HA  ALA   17  QB   5.00
NOEUPP  SER   14  HA  LYS   18  QD   4.80     1HB  HIS   15  H    4.00
NOEUPP  SER   14 1HB  VAL   52  QG1  5.60     1HB  VAL   52  QG2  6.50
NOEUPP  SER   14 1HB  PRO   53  QB   6.38     2HB  HIS   15  H    3.40
NOEUPP  SER   14 2HB  HIS   15  HD2  5.50      HG  HIS   15  HA   5.50
NOEUPP  SER   14  HG  HIS   15  HD2  5.50                             
NOEUPP  HIS   15  H   HIS   15  QB   3.80      H   ARG   16  H    3.20
NOEUPP  HIS   15  H   ALA   17  H    4.80      HA  HIS   15  HD2  4.70
NOEUPP  HIS   15  HA  HIS   15  HE1  5.50      HA  LYS   18  QE   6.38
NOEUPP  HIS   15  QB  ARG   16  H    4.30      QB  ALA   17  H    6.40
NOEUPP  HIS   15  QB  ALA   19  H    6.50      HD2 ARG   16  H    5.50
NOEUPP  ARG   16  H   ARG   16 1HB   2.90      H   ARG   16 2HB   3.70
NOEUPP  ARG   16  H   ARG   16 1HG   4.50      H   ARG   16 2HG   3.30
NOEUPP  ARG   16  H   ALA   17  H    3.20      H   LYS   18  H    5.50
NOEUPP  ARG   16  HA  ALA   19  H    3.50      HA  LEU   20  H    4.60
NOEUPP  ARG   16 1HB  ALA   17  H    3.20     2HB  ALA   17  H    3.90
NOEUPP  ARG   16 2HB  TYR   65  QD   7.50     2HB  TYR   65  QE   7.00
NOEUPP  ARG   16  QD  TYR   65  QE   8.38                             
NOEUPP  ALA   17  H   ALA   19  H    5.10      H   TYR   65 1HB   5.50
NOEUPP  ALA   17  H   TYR   65  QD   7.50      H   TYR   65  QE   7.50
NOEUPP  ALA   17  HA  LYS   18  H    3.40      HA  LEU   20  QD1  6.50
NOEUPP  ALA   17  HA  LEU   20  QD2  6.50      HA  LEU   21  H    5.20
NOEUPP  ALA   17  HA  TYR   65  QD   5.60      HA  TYR   65  QE   7.10
NOEUPP  ALA   17  QB  LEU   21  QD1  7.50      QB  TYR   65  H    6.50
NOEUPP  ALA   17  QB  TYR   65 1HB   5.80      QB  TYR   65 2HB   6.50
NOEUPP  ALA   17  QB  TYR   65  QD   7.20      QB  TYR   65  QE   8.50
NOEUPP  LYS   18  H   LYS   18 1HG   5.20      H   LYS   18 2HG   5.20
NOEUPP  LYS   18  H   LYS   18  QG   4.34      H   LYS   18  QD   5.80
NOEUPP  LYS   18  H   ALA   19  H    3.20      H   ALA   19  QB   6.50
NOEUPP  LYS   18  HA  LYS   18  QG   3.75      HA  ALA   19  HA   5.50
NOEUPP  LYS   18  HA  LEU   20  H    5.10      HA  LEU   21  H    3.80
NOEUPP  LYS   18  HA  LEU   21 2HB   4.20      HA  LEU   21  HG   5.50
NOEUPP  LYS   18  HA  LEU   21  QD1  5.20      HA  SER   22  H    4.40
NOEUPP  LYS   18  HA  PHE   28  QD   7.50      HA  PHE   28  QE   7.50
NOEUPP  LYS   18  QB  LYS   18  QE   7.38      QB  ALA   19  H    4.40
NOEUPP  LYS   18  QG  LEU   20  H    6.38      QG  LEU   21  H    6.38
NOEUPP  LYS   18  QG  PHE   28  QD   8.08      QD  ALA   19  H    5.50
NOEUPP  LYS   18  QD  PHE   28  QD   8.50      QD  TYR   65  QE   8.50
NOEUPP  LYS   18  QE  PHE   28  QE   8.28                             
NOEUPP  ALA   19  H   LEU   20  H    3.30      HA  LEU   20  H    3.50
NOEUPP  ALA   19  HA  SER   23  H    3.60      QB  SER   23  H    6.50
NOEUPP  LEU   20  H   LEU   20 2HB   2.80      H   LEU   20  HG   5.50
NOEUPP  LEU   20  H   LEU   20  QD1  6.50      H   LEU   20  QD2  6.50
NOEUPP  LEU   20  H   SER   22  H    5.20      H   TYR   65  QE   7.50
NOEUPP  LEU   20  HA  LEU   20  QD1  4.90      HA  SER   23  H    3.40
NOEUPP  LEU   20 1HB  LEU   21  H    3.70     2HB  LEU   21  H    2.90
NOEUPP  LEU   20  HG  LEU   21  H    5.50      QD1 LEU   21  QD1  6.50
NOEUPP  LEU   20  QD1 LYS   24  QE   5.18      QD1 TYR   65  QD   8.50
NOEUPP  LEU   20  QD1 TYR   65  QE   8.50      QD1 LEU   68  H    6.50
NOEUPP  LEU   20  QD1 TYR   69  H    6.50      QD1 TYR   69  HA   6.50
NOEUPP  LEU   20  QD1 TYR   69  QD   8.50      QD1 ALA   73  H    6.50
NOEUPP  LEU   20  QD2 LEU   21  H    6.50      QD2 LEU   21  HG   6.50
NOEUPP  LEU   20  QD2 LEU   21  QD1  7.50      QD2 SER   23  QB   7.38
NOEUPP  LEU   20  QD2 LYS   24 1HE   6.50      QD2 LYS   24 2HE   6.50
NOEUPP  LEU   20  QD2 LYS   24  QE   6.00      QD2 TYR   65  QE   8.50
NOEUPP  LEU   20  QD2 TYR   69  H    6.50      QD2 TYR   69  HA   5.10
NOEUPP  LEU   20  QD2 TYR   69  QD   8.50      QD2 ASP   72 1HB   6.50
NOEUPP  LEU   20  QD2 ASP   72 2HB   6.50      QD2 ALA   73  H    6.50
NOEUPP  LEU   21  H   LEU   21 1HB   2.90      H   LEU   21 2HB   4.00
NOEUPP  LEU   21  H   LEU   21  HG   3.10      H   LEU   21  QD1  6.40
NOEUPP  LEU   21  H   SER   22  H    3.10      HA  LEU   21 2HB   2.90
NOEUPP  LEU   21  HA  LEU   21  HG   3.90      HA  LEU   21  QD1  6.50
NOEUPP  LEU   21  HA  LEU   21  QD2  3.70      HA  LYS   24  H    4.00
NOEUPP  LEU   21  HA  LYS   24 1HB   4.30      HA  LYS   24 1HG   5.00
NOEUPP  LEU   21  HA  LYS   24  QD   6.50      HA  VAL   26  HB   5.50
NOEUPP  LEU   21  HA  VAL   26  QG2  6.50     1HB  SER   22  H    3.10
NOEUPP  LEU   21 1HB  PHE   28  QD   7.50     2HB  SER   22  H    3.70
NOEUPP  LEU   21 2HB  VAL   26  HB   4.30     2HB  PHE   28  QD   6.70
NOEUPP  LEU   21 2HB  PHE   28  QE   7.50      HG  SER   22  H    5.50
NOEUPP  LEU   21  HG  PHE   28  QE   7.50      HG  LEU   68  QD2  6.50
NOEUPP  LEU   21  QD1 SER   22  H    6.50      QD1 VAL   26  HB   6.50
NOEUPP  LEU   21  QD1 PHE   28  QB   7.50      QD1 PHE   28  QD   8.50
NOEUPP  LEU   21  QD1 PHE   28  QE   8.50      QD2 SER   22  H    6.50
NOEUPP  LEU   21  QD2 VAL   26  HB   6.50      QD2 PHE   28  QD   8.50
NOEUPP  SER   22  H   SER   23  H    3.10      H   LYS   24  H    5.20
NOEUPP  SER   22  H   PHE   28  QE   7.50      HA  LYS   24  H    5.00
NOEUPP  SER   22  HA  GLY   25  H    3.70      HA  VAL   26  H    3.30
NOEUPP  SER   22  HA  PHE   28  QE   7.50     1HB  PHE   28  QE   7.50
NOEUPP  SER   22 2HB  PHE   28  QE   7.50                             
NOEUPP  SER   23  H   SER   23 1HB   2.80      H   SER   23 2HB   2.80
NOEUPP  SER   23  H   SER   23  QB   2.56      H   LYS   24  H    3.20
NOEUPP  SER   23  H   GLY   25  H    4.20      HA  GLY   25  H    4.60
NOEUPP  SER   23 1HB  LYS   24  H    4.70     2HB  LYS   24  H    4.70
NOEUPP  LYS   24  H   LYS   24 1HB   3.00      H   LYS   24 2HB   3.60
NOEUPP  LYS   24  H   LYS   24 1HG   5.00      H   LYS   24 2HG   4.20
NOEUPP  LYS   24  H   LYS   24  QD   6.50      H   GLY   25  H    2.90
NOEUPP  LYS   24  H   VAL   26  QG2  6.50      HA  LYS   24  QD   5.60
NOEUPP  LYS   24  HA  LYS   24  QE   6.38     1HB  GLY   25  H    3.80
NOEUPP  LYS   24 1HB  VAL   26  H    3.70     2HB  LYS   24  QE   6.28
NOEUPP  LYS   24 2HB  GLY   25  H    4.50      QD  TYR   69  HA   6.50
NOEUPP  GLY   25  H   VAL   26  H    3.00      H   VAL   26  QG2  6.50
NOEUPP  VAL   26  H   VAL   26  HB   3.40      H   SER   27  H    5.10
NOEUPP  VAL   26  HA  SER   27  H    2.50      HB  SER   27  H    3.60
NOEUPP  VAL   26  HB  PHE   28  QD   7.50      QG1 SER   27  H    5.00
NOEUPP  VAL   26  QG1 PHE   28  H    6.50      QG1 PHE   28  QD   8.50
NOEUPP  VAL   26  QG2 SER   27  H    6.50      QG2 PHE   28  QB   7.50
NOEUPP  VAL   26  QG2 PHE   28  QD   8.50                             
NOEUPP  SER   27  H   SER   27  QB   3.90      H   PHE   28  H    5.10
NOEUPP  SER   27  HA  PHE   28  H    2.60      HA  PHE   28  QD   7.50
NOEUPP  SER   27  HA  PHE   28  QE   7.50                             
NOEUPP  PHE   28  H   GLN   29  H    4.80      H   GLN   29  HA   5.50
NOEUPP  PHE   28  HA  GLN   29  H    2.60      HA  GLN   29 1HB   5.50
NOEUPP  PHE   28  QB  GLN   29  H    4.20      QD  GLN   29  H    7.50
NOEUPP  PHE   28  QD  GLN   29  HA   7.50      QD  GLN   29 1HB   7.50
NOEUPP  PHE   28  QD  GLN   29 2HB   7.50      QD  GLU   30  H    7.50
NOEUPP  PHE   28  QD  GLU   30  HA   7.50      QE  GLU   30  H    7.50
NOEUPP  GLN   29  H   GLN   29 1HB   3.00      H   GLN   29 2HB   3.30
NOEUPP  GLN   29  H   GLN   29  QG   6.50      H   GLU   30  H    3.80
NOEUPP  GLN   29  HA  GLU   30  H    2.50     1HB  LEU   31  QD1  6.50
NOEUPP  GLN   29 2HB  LEU   31  QD2  5.50      QG  GLU   30  H    6.50
NOEUPP  GLN   29  QG  LEU   31  HG   6.50      QG  LEU   31  QD1  7.50
NOEUPP  GLN   29  QG  LEU   31  QD2  7.50     1HE2 LEU   31  QD1  6.50
NOEUPP  GLU   30  H   GLU   30 1HB   3.40      H   GLU   30 2HB   3.10
NOEUPP  GLU   30  H   GLU   30  QG   5.00      HA  LEU   31  H    2.80
NOEUPP  GLU   30 1HB  LEU   31  H    4.80     2HB  LEU   31  H    3.50
NOEUPP  GLU   30 2HB  LEU   31  QD2  6.50     2HB  PRO   32 1HD   5.50
NOEUPP  GLU   30 2HB  PRO   32 2HD   3.60      QG  LEU   31  H    6.50
NOEUPP  LEU   31  H   LEU   31 1HB   3.30      H   LEU   31 2HB   4.00
NOEUPP  LEU   31  H   LEU   31  HG   4.40      H   LEU   31  QD1  6.50
NOEUPP  LEU   31  H   LEU   31  QD2  6.40      H   PRO   32 1HD   5.50
NOEUPP  LEU   31  H   PRO   32 2HD   5.50      HA  LEU   31  QD1  5.10
NOEUPP  LEU   31  HA  LEU   31  QD2  6.50      HA  PRO   32 1HD   3.20
NOEUPP  LEU   31  HA  PRO   32 2HD   3.30     2HB  LYS   39  QE   6.50
NOEUPP  LEU   31  QD1 PRO   32 1HD   6.50      QD1 PRO   32 2HD   6.50
NOEUPP  LEU   31  QD1 LYS   39  QE   7.50      QD2 LYS   39  QD   7.50
NOEUPP  LEU   31  QD2 LYS   39  QE   7.50                             
NOEUPP  PRO   32  HA  ILE   33  H    2.60      HA  ILE   33  QG2  6.50
NOEUPP  PRO   32  HA  ASP   34  H    4.00     1HB  ILE   33  H    4.30
NOEUPP  PRO   32 1HB  ASP   34  H    3.90     2HB  ILE   33  H    4.30
NOEUPP  PRO   32 2HB  ASP   34  H    3.90      QB  ILE   33  H    4.06
NOEUPP  ILE   33  H   ILE   33 1HG1  3.50      H   ILE   33  QD1  6.50
NOEUPP  ILE   33  H   ASP   34  H    2.90      HA  LYS   39  QB   6.18
NOEUPP  ILE   33  HA  ARG   40  H    4.60      HB  ILE   33 2HG1  2.80
NOEUPP  ILE   33  HB  ASP   34  H    5.30      HB  ARG   40  H    4.90
NOEUPP  ILE   33  HB  ARG   40  HA   4.80      QG2 ASP   34  HA   6.50
NOEUPP  ILE   33  QG2 ALA   37  HA   6.50      QG2 LYS   39  QB   7.38
NOEUPP  ILE   33  QG2 LYS   39  QG   7.50      QG2 ARG   40  H    6.50
NOEUPP  ILE   33  QG2 ARG   40  HA   4.90      QG2 MET   43  QE   7.50
NOEUPP  ILE   33 1HG1 ASP   34  H    5.50     2HG1 ASP   34  H    5.00
NOEUPP  ILE   33  QD1 ASP   34  H    6.50      QD1 ARG   40  H    6.50
NOEUPP  ILE   33  QD1 ARG   40  HA   5.40      QD1 ARG   40  QD   7.50
NOEUPP  ILE   33  QD1 MET   43  QE   6.40      QD1 VAL   52  QG1  5.90
NOEUPP  ILE   33  QD1 VAL   52  QG2  6.30                             
NOEUPP  ASP   34  H   ASP   34  QB   3.90      HA  ASN   36  H    4.20
NOEUPP  GLY   35  H   ASN   36  H    3.90                             
NOEUPP  ASN   36  H   ASN   36 1HB   3.60      H   ASN   36 2HB   3.60
NOEUPP  ASN   36  H   ASN   36  QB   3.34      H   ALA   37  H    4.70
NOEUPP  ASN   36  HA  ASN   36 1HD2  5.50      HA  ALA   37  H    2.70
NOEUPP  ASN   36  HA  ALA   37  QB   6.50      HA  ALA   38  H    4.10
NOEUPP  ASN   36  HA  LYS   39  H    5.30     1HB  ALA   37  H    5.50
NOEUPP  ASN   36 2HB  ALA   37  H    5.50     1HD2 LYS   39  QB   6.38
NOEUPP  ASN   36 1HD2 LYS   39  QG   6.50     2HD2 LYS   39  H    4.90
NOEUPP  ASN   36 2HD2 LYS   39  QB   6.38     2HD2 LYS   39  QD   6.50
NOEUPP  ASN   36 2HD2 ARG   40  QG   6.38                             
NOEUPP  ALA   37  H   ALA   38  H    3.20      HA  ALA   38  H    3.40
NOEUPP  ALA   37  HA  LYS   39  H    5.10      HA  ARG   40  H    3.90
NOEUPP  ALA   37  HA  ARG   40 1HB   3.90      HA  ARG   40 2HB   3.20
NOEUPP  ALA   37  HA  ARG   40  QD   6.50      HA  GLU   41  H    4.10
NOEUPP  ALA   38  H   ALA   38  QB   3.40      H   LYS   39  H    3.20
NOEUPP  ALA   38  H   ARG   40  H    5.40      HA  ARG   40  H    5.30
NOEUPP  ALA   38  HA  GLU   41  H    3.60      HA  GLU   41  QB   4.80
NOEUPP  ALA   38  QB  ARG   40  H    6.50                             
NOEUPP  LYS   39  H   LYS   39 1HB   3.20      H   LYS   39 2HB   3.20
NOEUPP  LYS   39  H   LYS   39  QB   2.98      H   LYS   39  QG   6.50
NOEUPP  LYS   39  H   LYS   39  QD   6.50      H   LYS   39  QE   6.50
NOEUPP  LYS   39  H   ARG   40  H    3.10      H   GLU   41  H    4.50
NOEUPP  LYS   39  HA  LYS   39  QD   4.60      HA  GLU   41  H    4.30
NOEUPP  LYS   39  HA  GLU   42  H    2.90      HA  GLU   42 1HB   3.70
NOEUPP  LYS   39  HA  GLU   42 2HB   3.10      HA  MET   43  H    4.60
NOEUPP  LYS   39 1HB  ARG   40  H    4.10     2HB  ARG   40  H    4.10
NOEUPP  LYS   39  QB  ARG   40  H    3.76      QE  ARG   40  H    6.50
NOEUPP  ARG   40  H   ARG   40 1HB   2.90      H   ARG   40 2HB   2.90
NOEUPP  ARG   40  H   ARG   40  QD   6.50      HA  ARG   40  QG   3.82
NOEUPP  ARG   40  HA  MET   43 2HB   3.50      HA  MET   43  QE   6.50
NOEUPP  ARG   40 1HB  GLU   41  H    3.90      QD  MET   43  QE   7.50
NOEUPP  ARG   40  QD  ILE   44  QD1  7.50      QD  VAL   52  H    6.50
NOEUPP  GLU   41  H   GLU   41  QB   3.80      H   GLU   41 1HG   4.60
NOEUPP  GLU   41  H   GLU   41 2HG   4.60      H   GLU   41  QG   4.41
NOEUPP  GLU   41  H   GLU   42  H    3.00      HA  ILE   44  H    3.50
NOEUPP  GLU   41  HA  ILE   44  QD1  5.20      QB  GLU   42  H    3.90
NOEUPP  GLU   41  QG  ILE   44  QG2  7.38                             
NOEUPP  GLU   42  H   GLU   42 1HB   2.90      H   GLU   42 2HB   2.90
NOEUPP  GLU   42  H   GLU   42  QG   6.50      H   MET   43  H    3.10
NOEUPP  GLU   42  HA  GLU   42 1HB   2.70      HA  LYS   45  H    3.80
NOEUPP  GLU   42  HA  ARG   46  H    4.80                             
NOEUPP  MET   43  H   MET   43 1HB   3.00      H   ILE   44  H    3.50
NOEUPP  MET   43  H   ARG   46  H    5.40      HA  ARG   46  H    4.20
NOEUPP  MET   43  HA  ARG   46  HA   5.10      HA  ARG   46  QB   6.18
NOEUPP  MET   43  HA  ARG   46  QG   6.08      HA  ARG   46  QD   5.08
NOEUPP  MET   43  HA  SER   47  H    4.40     1HB  ILE   44  H    4.10
NOEUPP  MET   43 2HB  MET   43  QE   5.60     2HB  ILE   44  H    3.10
NOEUPP  MET   43  QG  ILE   44  H    6.50      QE  ILE   44  H    6.50
NOEUPP  MET   43  QE  ILE   44  HA   6.50      QE  ILE   44  QD1  7.50
NOEUPP  MET   43  QE  SER   47  QB   7.50      QE  THR   50  HA   5.50
NOEUPP  MET   43  QE  THR   50  QG2  7.50      QE  THR   51  H    6.50
NOEUPP  MET   43  QE  VAL   52  HA   6.50      QE  VAL   52  QG1  6.20
NOEUPP  MET   43  QE  VAL   52  QG2  7.10      QE  GLN   54 1HG   6.50
NOEUPP  MET   43  QE  GLN   54 2HG   6.50      QE  GLN   54 1HE2  6.50
NOEUPP  ILE   44  H   ILE   44  HB   2.50      H   ILE   44  QG1  5.48
NOEUPP  ILE   44  H   ILE   44  QD1  6.40      HA  ILE   44  QG1  3.58
NOEUPP  ILE   44  HA  SER   47  HG   5.50      HA  GLY   48  H    4.00
NOEUPP  ILE   44  HA  ARG   49  H    3.50      HA  THR   50  HA   3.70
NOEUPP  ILE   44  HB  LYS   45  H    3.00      QG2 LYS   45  H    6.50
NOEUPP  ILE   44  QG2 GLY   48  H    6.50      QG2 GLY   48  QA   7.38
NOEUPP  ILE   44  QG2 ARG   49  H    6.50      QG2 THR   50  HA   6.40
NOEUPP  ILE   44  QG1 THR   50  HA   6.38      QD1 THR   50  HA   6.40
NOEUPP  LYS   45  H   LYS   45  QB   3.50      H   LYS   45 1HG   5.50
NOEUPP  LYS   45  H   LYS   45 2HG   5.50      H   ARG   46  H    3.20
NOEUPP  LYS   45  HA  LYS   45  QE   6.50      HA  ARG   46  H    3.60
NOEUPP  LYS   45  HA  GLY   48  H    4.10                             
NOEUPP  ARG   46  H   ARG   46  QB   3.46      H   ARG   46 1HG   5.30
NOEUPP  ARG   46  H   ARG   46 2HG   5.30      H   ARG   46  QG   4.44
NOEUPP  ARG   46  H   ARG   46  QD   6.38      H   SER   47  H    2.80
NOEUPP  ARG   46  H   SER   47  HG   5.50      H   PHE   56  HZ   5.50
NOEUPP  ARG   46  HA  ARG   46  HE   5.50      HA  PHE   56  HZ   5.50
NOEUPP  ARG   46 1HB  ARG   46  HE   4.70     1HB  SER   47  H    5.00
NOEUPP  ARG   46 1HB  PHE   56  HZ   5.50     2HB  ARG   46  HE   4.70
NOEUPP  ARG   46 2HB  SER   47  H    5.00     2HB  PHE   56  HZ   5.50
NOEUPP  ARG   46  QB  ARG   46  HE   4.42      QB  SER   47  H    4.53
NOEUPP  ARG   46  QB  PHE   56  HZ   4.86     1HG  PHE   56  HZ   5.50
NOEUPP  ARG   46 2HG  PHE   56  HZ   5.50      QG  ARG   46  HE   3.89
NOEUPP  ARG   46  QG  SER   47  H    6.08      QG  PHE   56  QE   8.38
NOEUPP  ARG   46  QG  PHE   56  HZ   4.99      HE  PHE   56  QD   7.50
NOEUPP  ARG   46  HE  PHE   56  QE   7.50                             
NOEUPP  SER   47  H   SER   47  HG   3.20      H   GLY   48  H    3.00
NOEUPP  SER   47  H   PHE   56  HZ   5.50      HA  PHE   56  QE   7.50
NOEUPP  SER   47  HA  PHE   56  HZ   4.30      HA  HIS   61  HD2  5.50
NOEUPP  SER   47  HA  HIS   61  HE1  5.50      QB  ARG   49  H    5.00
NOEUPP  SER   47  QB  ARG   49 1HB   6.50      QB  GLN   54 2HB   6.50
NOEUPP  SER   47  QB  GLN   54  QG   7.38      QB  PHE   56  QE   8.50
NOEUPP  SER   47  QB  PHE   56  HZ   5.40      QB  HIS   61  QB   7.38
NOEUPP  SER   47  QB  HIS   61  HD2  6.50      QB  HIS   61  HE1  6.50
NOEUPP  SER   47  HG  GLY   48  H    4.70      HG  ARG   49  H    5.50
NOEUPP  GLY   48  H   ARG   49  H    3.20                             
NOEUPP  ARG   49  H   ARG   49 1HB   2.80      H   ARG   49 2HB   3.80
NOEUPP  ARG   49  H   ARG   49 1HG   5.40      H   ARG   49 2HG   4.00
NOEUPP  ARG   49 1HB  THR   50  H    4.10     1HB  THR   51  H    4.60
NOEUPP  ARG   49 1HB  GLN   54 1HE2  5.00     1HB  GLN   54 2HE2  5.30
NOEUPP  ARG   49 2HB  THR   50  H    2.90     2HB  THR   51  H    3.30
NOEUPP  ARG   49 2HB  GLN   54 1HE2  5.50     2HB  GLN   54 2HE2  5.50
NOEUPP  ARG   49 1HG  THR   50  H    5.50     1HG  THR   51  H    4.60
NOEUPP  ARG   49 1HG  GLN   54 2HE2  5.50     1HG  HIS   61  HE1  5.50
NOEUPP  ARG   49 2HG  GLN   54 2HE2  5.50     2HG  HIS   61  HE1  4.70
NOEUPP  ARG   49 1HD  GLN   54 1HE2  4.90     1HD  GLN   54 2HE2  4.50
NOEUPP  ARG   49 1HD  HIS   61  HE1  4.80     2HD  GLN   54 2HE2  5.40
NOEUPP  ARG   49 2HD  HIS   61  HE1  5.30                             
NOEUPP  THR   50  H   THR   50  HB   4.00      H   THR   50  QG2  4.60
NOEUPP  THR   50  H   THR   51  H    2.90      H   THR   51  QG2  6.50
NOEUPP  THR   50  HA  THR   50  HB   2.90      HA  THR   50  QG2  3.50
NOEUPP  THR   50  QG2 THR   51  H    6.50                             
NOEUPP  THR   51  H   THR   51  HB   4.20      H   GLN   54 1HE2  4.90
NOEUPP  THR   51  H   GLN   54 2HE2  5.50      HB  VAL   52  H    2.90
NOEUPP  THR   51  HB  GTT   83 1HG1  5.50      HB  GTT   83 2HG1  3.00
NOEUPP  THR   51  HB  GTT   83  HN2  4.10      QG2 VAL   52  H    6.50
NOEUPP  THR   51  QG2 GTT   83  HN2  6.50      QG2 GTT   83  HN3  5.90
NOEUPP  VAL   52  H   VAL   52  HB   3.70      H   VAL   52  QG2  4.70
NOEUPP  VAL   52  H   GTT   83  HN2  3.40      H   GTT   83  QA   3.78
NOEUPP  VAL   52  HA  PRO   53  HA   2.70      HA  GLN   54  H    4.00
NOEUPP  VAL   52  HA  GLN   54 1HE2  5.50      HB  PRO   53  HA   2.70
NOEUPP  VAL   52  QG1 PRO   53  HA   5.60      QG1 GLN   54  H    6.50
NOEUPP  VAL   52  QG1 GTT   83  HN2  6.50      QG1 GTT   83 1HB2  5.70
NOEUPP  VAL   52  QG2 PRO   53  HA   5.30      QG2 GLN   54  H    6.50
NOEUPP  VAL   52  QG2 GTT   83  HN2  6.50      QG2 GTT   83 1HB2  4.90
NOEUPP  PRO   53  HA  GLN   54  H    2.70     1HB  GLN   54  H    4.00
NOEUPP  PRO   53 2HB  GLN   54  H    4.00      QB  GLN   54  H    3.56
NOEUPP  PRO   53  QG  TYR   65  H    6.50     1HD  TYR   65  H    5.50
NOEUPP  PRO   53 2HD  TYR   65  H    5.50      QD  TYR   65  H    5.09
NOEUPP  PRO   53  QD  TYR   65 2HB   5.38                             
NOEUPP  GLN   54  H   GLN   54 1HB   3.50      H   GLN   54  QG   4.28
NOEUPP  GLN   54  H   ILE   55  QD1  6.50      HA  ILE   55  H    2.60
NOEUPP  GLN   54 1HB  PHE   56  QE   7.50     2HB  ILE   55  H    4.10
NOEUPP  GLN   54 2HB  PHE   56  QE   7.50     2HB  HIS   61  HD2  5.50
NOEUPP  GLN   54  QG  ILE   55  H    6.38      QG  HIS   61  HE1  6.18
NOEUPP  ILE   55  H   ILE   55  HB   3.10      H   ILE   55  QG1  6.38
NOEUPP  ILE   55  H   HIS   61  HD2  5.50      H   ILE   62  HB   5.50
NOEUPP  ILE   55  H   ILE   62 1HG1  3.70      H   GLY   63  H    3.70
NOEUPP  ILE   55  H   GLY   64  QA   5.48      HA  ILE   55  QG1  3.71
NOEUPP  ILE   55  HA  PHE   56  H    2.50      HA  PHE   56  QD   7.50
NOEUPP  ILE   55  HB  PHE   56  H    4.00      QG2 PHE   56  H    4.50
NOEUPP  ILE   55  QG2 PHE   56  HA   6.50      QG2 ILE   62  H    6.50
NOEUPP  ILE   55  QG2 GLY   63  H    6.50      QG1 PHE   56  H    6.38
NOEUPP  ILE   55  QG1 LEU   68  H    6.38      QD1 GLY   64  QA   7.38
NOEUPP  ILE   55  QD1 TYR   65  H    6.50      QD1 TYR   65  HA   6.50
NOEUPP  PHE   56  H   PHE   56 1HB   3.20      HA  ILE   57  H    2.60
NOEUPP  PHE   56  HA  ILE   57 1HG1  5.50      HA  GLN   60  H    4.80
NOEUPP  PHE   56  HA  HIS   61  HA   3.10      HA  ILE   62  H    3.30
NOEUPP  PHE   56  HA  ILE   62  HB   5.50      HA  ILE   62 1HG1  4.20
NOEUPP  PHE   56  HA  ILE   62 2HG1  5.50      HA  ILE   62  QD1  6.50
NOEUPP  PHE   56 1HB  ILE   57  H    4.40     2HB  ILE   57  H    3.60
NOEUPP  PHE   56 2HB  ALA   59  H    4.80     2HB  ALA   59  HA   3.70
NOEUPP  PHE   56  QD  ILE   57  H    7.50      QD  ALA   59  HA   7.50
NOEUPP  PHE   56  QD  GLN   60  H    7.50      QD  HIS   61  H    7.50
NOEUPP  PHE   56  QD  HIS   61  HA   7.20      QD  HIS   61  HD2  7.50
NOEUPP  PHE   56  QD  ILE   62  H    7.50      QE  HIS   61  H    7.50
NOEUPP  PHE   56  QE  HIS   61  QB   7.08      QE  HIS   61  HD2  7.50
NOEUPP  PHE   56  HZ  HIS   61  HD2  5.50      HZ  HIS   61  HE1  5.50
NOEUPP  ILE   57  H   ILE   57  HB   3.10      H   ILE   57 1HG1  5.20
NOEUPP  ILE   57  H   ILE   57 2HG1  3.80      H   ILE   57  QD1  6.50
NOEUPP  ILE   57  H   GLN   60  H    3.40      H   GLN   60  QB   5.10
NOEUPP  ILE   57  H   HIS   61  HA   3.90      H   ILE   62  QD1  6.50
NOEUPP  ILE   57  HB  ILE   62  QD1  5.20      QG2 ASP   58  H    5.70
NOEUPP  ILE   57  QG2 ASP   58 1HB   6.50      QD1 LEU   71 2HB   6.50
NOEUPP  ILE   57  QD1 LEU   80  QB   7.18                             
NOEUPP  ASP   58  H   ASP   58  HA   2.80      H   ASP   58 1HB   4.00
NOEUPP  ASP   58  H   ALA   59  H    3.80      HA  ALA   59  H    3.20
NOEUPP  ASP   58  HA  ALA   59  QB   6.50     1HB  ALA   59  H    4.10
NOEUPP  ASP   58 1HB  GLN   60  H    4.80                             
NOEUPP  ALA   59  H   ALA   59  HA   2.70      H   GLN   60  H    3.30
NOEUPP  ALA   59  HA  GLN   60  H    3.60      QB  GLN   60 1HE2  6.50
NOEUPP  GLN   60  H   GLN   60  QB   3.70      H   GLN   60 1HG   5.10
NOEUPP  GLN   60  H   GLN   60 2HG   4.40      H   HIS   61  H    5.50
NOEUPP  GLN   60  HA  HIS   61  H    2.60      QB  ILE   62  QD1  7.50
NOEUPP  GLN   60 1HG  HIS   61  H    5.50     2HG  HIS   61  H    5.50
NOEUPP  GLN   60 1HE2 LEU   80  QD2  6.50                             
NOEUPP  HIS   61  H   HIS   61 1HB   3.10      H   HIS   61 2HB   3.10
NOEUPP  HIS   61  HA  HIS   61  HD2  3.70      HA  ILE   62  H    2.90
NOEUPP  HIS   61  QB  ILE   62  H    5.18      QB  GLY   63  H    5.78
NOEUPP  HIS   61  HD2 ILE   62  H    4.40      HD2 ILE   62  HB   5.50
NOEUPP  HIS   61  HD2 ILE   62 1HG1  5.50      HD2 GLY   63  H    4.80
NOEUPP  HIS   61  HD2 GLY   63  QA   6.38                             
NOEUPP  ILE   62  H   ILE   62  HA   2.90      H   ILE   62  HB   2.60
NOEUPP  ILE   62  H   ILE   62 1HG1  3.30      H   ILE   62 2HG1  5.30
NOEUPP  ILE   62  H   ILE   62  QD1  6.50      H   GLY   63  H    2.90
NOEUPP  ILE   62  HA  ILE   62  QD1  3.40      HB  GLY   63  H    3.00
NOEUPP  ILE   62  QG2 GLY   63  H    6.50      QG2 ASP   67 1HB   6.20
NOEUPP  ILE   62  QG2 ASP   67 2HB   6.40      QG2 LEU   68  H    6.50
NOEUPP  ILE   62  QG2 LEU   68  HA   4.70      QG2 LEU   68 1HB   6.50
NOEUPP  ILE   62  QG2 LEU   68 2HB   6.50      QG2 LEU   68  QD1  5.40
NOEUPP  ILE   62  QG2 LEU   71 2HB   6.50     1HG1 GLY   63  H    4.40
NOEUPP  ILE   62  QD1 LEU   68  HA   6.50      QD1 LEU   68  QD1  6.90
NOEUPP  GLY   63  QA  ASP   67 1HB   4.38      QA  ASP   67 2HB   5.08
NOEUPP  GLY   64  H   TYR   65  H    5.10      H   ASP   67  H    3.90
NOEUPP  GLY   64  H   ASP   67 1HB   3.00      H   ASP   67 2HB   3.60
NOEUPP  GLY   64  H   LEU   68  H    5.50     1HA  TYR   65  H    3.50
NOEUPP  GLY   64 1HA  ASP   67  H    4.90     2HA  TYR   65  H    3.50
NOEUPP  GLY   64 2HA  ASP   67  H    4.90      QA  TYR   65  H    3.14
NOEUPP  GLY   64  QA  LEU   68  H    6.38                             
NOEUPP  TYR   65  H   TYR   65 1HB   3.30      H   TYR   65 2HB   3.00
NOEUPP  TYR   65  H   ASP   66  H    4.00      H   ASP   67  H    4.60
NOEUPP  TYR   65  H   LEU   68  H    4.40      HA  LEU   68  H    3.60
NOEUPP  TYR   65  HA  LEU   68 1HB   4.30      HA  LEU   68 2HB   3.40
NOEUPP  TYR   65  HA  TYR   69  H    3.80     1HB  ASP   66  H    4.20
NOEUPP  TYR   65 2HB  ASP   66  H    3.20      QD  ASP   66  H    7.50
NOEUPP  TYR   65  QD  ASP   66  HA   7.50      QD  LEU   68 2HB   7.50
NOEUPP  TYR   65  QD  LEU   68  QD2  8.50      QE  ASP   66  HA   7.50
NOEUPP  TYR   65  QE  ASP   66 2HB   7.50      QE  LEU   68 2HB   7.10
NOEUPP  TYR   65  QE  LEU   68  QD2  8.50      QE  TYR   69 1HB   7.50
NOEUPP  ASP   66  H   ASP   66 1HB   3.20      H   ASP   66 2HB   3.70
NOEUPP  ASP   66  H   ASP   67  H    3.40      H   LEU   68  H    5.00
NOEUPP  ASP   66  HA  ASP   66 2HB   2.80      HA  TYR   69  H    3.80
NOEUPP  ASP   66  HA  ALA   70  H    4.40     1HB  ASP   67  H    3.10
NOEUPP  ASP   66 2HB  ASP   67  H    3.70                             
NOEUPP  ASP   67  H   ASP   67 1HB   2.80      H   ASP   67 2HB   3.70
NOEUPP  ASP   67  H   LEU   68  H    3.10      H   TYR   69  H    4.60
NOEUPP  ASP   67  HA  ASP   67 2HB   2.90      HA  ALA   70  H    3.90
NOEUPP  ASP   67  HA  LEU   71  H    4.90     1HB  LEU   68  H    3.10
NOEUPP  ASP   67 2HB  LEU   68  H    3.60                             
NOEUPP  LEU   68  H   LEU   68 1HB   2.80      H   LEU   68 2HB   2.80
NOEUPP  LEU   68  H   LEU   68  HG   5.50      H   LEU   68  QD1  6.50
NOEUPP  LEU   68  H   LEU   68  QD2  6.50      H   TYR   69  H    3.10
NOEUPP  LEU   68  H   LEU   71 1HB   4.90      HA  LEU   68 1HB   2.90
NOEUPP  LEU   68  HA  LEU   68  HG   3.70      HA  LEU   68  QD1  3.80
NOEUPP  LEU   68  HA  LEU   68  QD2  6.50      HA  LEU   71  H    3.70
NOEUPP  LEU   68  HA  LEU   71 2HB   3.30      HA  LEU   71  QD1  6.20
NOEUPP  LEU   68  HA  ASP   72  H    5.00     1HB  TYR   69  H    3.80
NOEUPP  LEU   68 2HB  TYR   69  H    3.00      HG  TYR   69  H    5.50
NOEUPP  LEU   68  HG  ALA   70  H    5.50      HG  LEU   71  H    5.30
NOEUPP  LEU   68  HG  ASP   72  H    5.20      QD1 TYR   69  H    6.50
NOEUPP  LEU   68  QD1 ASP   72 1HB   6.50      QD2 TYR   69  H    6.50
NOEUPP  LEU   68  QD2 LEU   77 2HB   6.50                             
NOEUPP  TYR   69  H   TYR   69 1HB   2.90      H   TYR   69 2HB   2.90
NOEUPP  TYR   69  H   ALA   70  H    3.20      H   ALA   70  QB   6.50
NOEUPP  TYR   69  H   LEU   71  H    4.60      H   ASP   72  H    4.50
NOEUPP  TYR   69  HA  TYR   69 1HB   2.90      HA  ASP   72  H    3.70
NOEUPP  TYR   69  HA  ASP   72 1HB   3.60      HA  ASP   72 2HB   3.50
NOEUPP  TYR   69  HA  ALA   73  H    4.60     1HB  ALA   70  H    3.70
NOEUPP  TYR   69 2HB  ALA   70  H    3.00     2HB  ALA   70  QB   6.50
NOEUPP  TYR   69  QD  ALA   70  H    7.50      QD  ALA   70  QB   8.50
NOEUPP  TYR   69  QD  ALA   73  H    7.50      QD  ALA   73  HA   7.50
NOEUPP  TYR   69  QD  ALA   73  QB   8.50      QE  ALA   73  HA   7.50
NOEUPP  TYR   69  QE  ALA   73  QB   8.50                             
NOEUPP  ALA   70  H   LEU   71  H    2.50      HA  ALA   73  H    3.70
NOEUPP  ALA   70  HA  ARG   74  H    4.10      QB  ALA   73  H    6.50
NOEUPP  LEU   71  H   LEU   71 1HB   2.80      H   LEU   71 2HB   2.80
NOEUPP  LEU   71  H   LEU   71  HG   5.50      H   LEU   71  QD1  6.50
NOEUPP  LEU   71  H   LEU   71  QD2  6.50      H   ASP   72  H    3.00
NOEUPP  LEU   71  H   ALA   73  H    4.50      HA  LEU   71  QD2  3.70
NOEUPP  LEU   71  HA  ARG   74  H    4.10      HA  ARG   74  QD   6.50
NOEUPP  LEU   71  HA  GLY   76  H    4.60     1HB  ASP   72  H    4.00
NOEUPP  LEU   71 2HB  ASP   72  H    3.00     2HB  ALA   73  H    5.50
NOEUPP  LEU   71 2HB  LEU   77 1HB   5.50      HG  ASP   72  H    5.50
NOEUPP  LEU   71  HG  GLY   76  H    5.50      HG  GLY   76 2HA   5.00
NOEUPP  LEU   71  HG  LEU   77  H    5.10      HG  LEU   77  HA   5.10
NOEUPP  LEU   71  QD1 ASP   72  H    6.10      QD1 GLY   76  H    6.50
NOEUPP  LEU   71  QD1 GLY   76 2HA   6.50      QD2 ASP   72  H    6.50
NOEUPP  LEU   71  QD2 ARG   74  HE   6.50      QD2 GLY   76  H    6.50
NOEUPP  LEU   71  QD2 GLY   76 2HA   4.20      QD2 LEU   77  H    6.50
NOEUPP  ASP   72  H   ASP   72 1HB   2.60      H   ASP   72 2HB   2.90
NOEUPP  ASP   72  H   ALA   73  H    3.20      H   ALA   73  QB   6.50
NOEUPP  ASP   72  H   LEU   77 1HB   5.50      HA  ARG   74  H    4.80
NOEUPP  ASP   72  HA  GLY   75  H    3.90      HA  GLY   76  H    3.70
NOEUPP  ASP   72  HA  LEU   77  H    3.00      HA  LEU   77 1HB   4.20
NOEUPP  ASP   72  HA  LEU   77 2HB   3.60      HA  LEU   77  QD2  6.50
NOEUPP  ASP   72 1HB  ALA   73  H    4.10     1HB  LEU   77 1HB   4.70
NOEUPP  ASP   72 1HB  LEU   77  QD1  4.20     2HB  ALA   73  H    3.20
NOEUPP  ASP   72 2HB  ALA   73  QB   6.50     2HB  LEU   77 1HB   5.50
NOEUPP  ASP   72 2HB  LEU   77  QD1  5.00                             
NOEUPP  ALA   73  H   ARG   74  H    3.20      H   GLY   75  H    5.50
NOEUPP  ALA   73  HA  ARG   74  H    3.40      HA  GLY   75  H    4.00
NOEUPP  ALA   73  QB  ARG   74  HA   6.50                             
NOEUPP  ARG   74  H   ARG   74 1HB   3.50      H   ARG   74 2HB   3.20
NOEUPP  ARG   74  H   ARG   74 1HG   4.70      H   ARG   74 2HG   4.70
NOEUPP  ARG   74  H   ARG   74  QG   4.18      H   ARG   74  QD   6.50
NOEUPP  ARG   74  H   GLY   75  H    2.90      H   GLY   76  H    4.20
NOEUPP  ARG   74  HA  ARG   74 1HB   3.00      HA  ARG   74 2HB   3.00
NOEUPP  ARG   74 1HB  GLY   75  H    4.90     2HB  GLY   75  H    4.10
NOEUPP  ARG   74 1HG  GLY   76  H    4.90     2HG  GLY   76  H    4.90
NOEUPP  ARG   74  QG  GLY   75  H    6.38      QG  GLY   76  H    4.72
NOEUPP  ARG   74  QG  GLY   76 2HA   6.38      QG  ASP   78  H    6.38
NOEUPP  GLY   75  H   GLY   76  H    2.60      H   LEU   77  H    5.50
NOEUPP  GLY   76  H   GLY   76 2HA   2.80      H   LEU   77  H    3.00
NOEUPP  GLY   76  H   ASP   78  H    4.10      H   PRO   79  QG   6.50
NOEUPP  GLY   76 1HA  LEU   77  H    3.60     1HA  PRO   79 1HD   4.60
NOEUPP  GLY   76 2HA  LEU   77  HA   5.40                             
NOEUPP  LEU   77  H   LEU   77 1HB   3.10      H   LEU   77 2HB   2.80
NOEUPP  LEU   77  H   LEU   77  QD1  6.50      H   LEU   77  QD2  6.50
NOEUPP  LEU   77  H   ASP   78  H    2.90      H   PRO   79 1HD   5.40
NOEUPP  LEU   77  H   PRO   79 2HD   5.50      HA  LEU   77 1HB   3.00
NOEUPP  LEU   77  HA  LEU   77  QD1  6.50      HA  PRO   79 1HD   5.50
NOEUPP  LEU   77  HA  LEU   80  H    4.20      HA  LEU   80  QB   5.28
NOEUPP  LEU   77  HA  LEU   80  HG   5.50     1HB  ASP   78  H    3.80
NOEUPP  LEU   77 2HB  ASP   78  H    2.90      HG  ASP   78  H    5.50
NOEUPP  LEU   77  QD1 ASP   78  H    6.50      QD1 ASP   78  HA   5.50
NOEUPP  LEU   77  QD2 ASP   78  H    6.50      QD2 ASP   78  HA   4.50
NOEUPP  LEU   77  QD2 LEU   80  H    6.50                             
NOEUPP  ASP   78  H   ASP   78 1HB   3.00      H   ASP   78 2HB   3.00
NOEUPP  ASP   78  H   PRO   79  QG   6.50      H   PRO   79 1HD   4.20
NOEUPP  ASP   78  H   PRO   79 2HD   4.20      HA  LEU   80  H    4.20
NOEUPP  ASP   78  HA  LEU   81  H    3.80      HA  LEU   81  HG   4.60
NOEUPP  ASP   78 1HB  PRO   79 2HD   4.30     2HB  PRO   79  QG   6.50
NOEUPP  ASP   78 2HB  PRO   79 1HD   4.60     2HB  PRO   79 2HD   3.00
NOEUPP  PRO   79  HA  LEU   81  H    4.50      HA  LYS   82  H    4.70
NOEUPP  PRO   79  HA  LYS   82  QG   6.50     1HB  LEU   80  H    3.90
NOEUPP  PRO   79 1HD  LEU   80  H    4.30     2HD  LEU   80  H    5.50
NOEUPP  LEU   80  H   LEU   80  QB   3.81      H   LEU   80  HG   3.30
NOEUPP  LEU   80  H   LEU   80  QD1  6.50      H   LEU   80  QD2  6.50
NOEUPP  LEU   80  HA  LEU   80  QD1  6.50      HA  LEU   80  QD2  3.40
NOEUPP  LEU   80  QB  LEU   81  H    4.38      QD1 LEU   81  H    6.50
NOEUPP  LEU   81  H   LEU   81  HA   2.90      H   LEU   81 1HB   2.80
NOEUPP  LEU   81  H   LEU   81 2HB   3.60      H   LEU   81  QD1  6.30
NOEUPP  LEU   81  H   LEU   81  QD2  6.30      H   LEU   81  QQD  5.95
NOEUPP  LEU   81  H   LYS   82  H    3.00                             
NOEUPP  LYS   82  H   LYS   82 1HB   3.40      H   LYS   82 2HB   3.40
NOEUPP  LYS   82  H   LYS   82  QG   6.50      H   LYS   82  QD   6.50
NOEUPP  LYS   82  H   LYS   82  QE   6.50                             
NOEUPP  GTT   83  HA1 GTT   83 2HG1  3.90     2HB1 GTT   83  HN2  5.50
NOEUPP  GTT   83 1HG1 GTT   83  HN2  3.60      HN2 GTT   83 1HB2  3.30
NOEUPP  GTT   83  HA2 GTT   83  HN3  2.80     1HB2 GTT   83  HN3  4.30
NOEUPP  GTT   83 2HB2 GTT   83  HN3  3.90                             


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          3H        ALA   1  -8.313 -10.448   7.751
    2   2H    ALA   1          1H        ALA   1  -9.289 -10.817   6.463
    3   3H    ALA   1          2H        ALA   1  -7.727 -11.330   6.495
    4    HA   ALA   1           HA       ALA   1  -7.857  -9.541   5.012
    5   1HB   ALA   1          1HB       ALA   1  -9.892  -8.497   5.949
    6   2HB   ALA   1          2HB       ALA   1  -8.962  -7.947   7.363
    7   3HB   ALA   1          3HB       ALA   1  -8.576  -7.324   5.742
    8    H    ASN   2           H        ASN   2  -5.885  -8.599   4.724
    9    HA   ASN   2           HA       ASN   2  -4.208  -7.696   6.976
   10   1HB   ASN   2          1HB       ASN   2  -3.768 -10.088   6.720
   11   2HB   ASN   2          2HB       ASN   2  -3.472  -9.908   4.998
   12   1HD2  ASN   2          2HD2      ASN   2  -0.165  -8.542   5.364
   13   2HD2  ASN   2          1HD2      ASN   2  -1.582  -8.549   4.358
   14    H    VAL   3           H        VAL   3  -4.752  -5.690   6.002
   15    HA   VAL   3           HA       VAL   3  -3.812  -5.072   3.284
   16    HB   VAL   3           HB       VAL   3  -4.925  -3.331   5.531
   17   1HG1  VAL   3          2HG1      VAL   3  -4.213  -2.648   2.646
   18   2HG1  VAL   3          3HG1      VAL   3  -5.127  -1.580   3.749
   19   3HG1  VAL   3          1HG1      VAL   3  -3.446  -1.993   4.091
   20   1HG2  VAL   3          2HG2      VAL   3  -6.247  -4.277   2.958
   21   2HG2  VAL   3          3HG2      VAL   3  -6.644  -4.827   4.597
   22   3HG2  VAL   3          1HG2      VAL   3  -6.940  -3.151   4.138
   23    H    GLU   4           H        GLU   4  -1.715  -4.583   2.895
   24    HA   GLU   4           HA       GLU   4  -0.006  -3.431   5.045
   25   1HB   GLU   4          1HB       GLU   4   0.534  -5.546   2.945
   26   2HB   GLU   4          2HB       GLU   4   1.834  -4.487   3.489
   27   1HG   GLU   4          1HG       GLU   4   1.586  -5.216   5.791
   28   2HG   GLU   4          2HG       GLU   4   0.131  -6.144   5.395
   29    H    ILE   5           H        ILE   5   1.281  -1.654   4.317
   30    HA   ILE   5           HA       ILE   5   1.185  -0.977   1.480
   31    HB   ILE   5           HB       ILE   5  -0.727   0.261   2.156
   32   1HG1  ILE   5          1HG1      ILE   5   1.698   2.121   1.993
   33   2HG1  ILE   5          2HG1      ILE   5   0.995   1.289   0.614
   34   1HG2  ILE   5          2HG2      ILE   5  -0.093   0.362   4.671
   35   2HG2  ILE   5          3HG2      ILE   5   0.850   1.788   4.231
   36   3HG2  ILE   5          1HG2      ILE   5  -0.913   1.753   3.966
   37   1HD1  ILE   5          1HD1      ILE   5  -0.390   3.391   2.312
   38   2HD1  ILE   5          2HD1      ILE   5   0.388   3.651   0.750
   39   3HD1  ILE   5          3HD1      ILE   5  -1.057   2.623   0.854
   40    H    TYR   6           H        TYR   6   3.097  -0.521   0.840
   41    HA   TYR   6           HA       TYR   6   5.321   0.138   2.657
   42   1HB   TYR   6          1HB       TYR   6   4.991  -0.306  -0.327
   43   2HB   TYR   6          2HB       TYR   6   6.459   0.369   0.388
   44    HD1  TYR   6           HD1      TYR   6   7.833  -0.796   1.886
   45    HD2  TYR   6           HD2      TYR   6   4.365  -2.712   0.243
   46    HE1  TYR   6           HE1      TYR   6   8.777  -2.952   2.552
   47    HE2  TYR   6           HE2      TYR   6   5.245  -4.908   0.925
   48    HH   TYR   6           HH       TYR   6   8.585  -5.287   2.121
   49    H    THR   7           H        THR   7   6.122   2.053   3.082
   50    HA   THR   7           HA       THR   7   5.191   4.460   1.652
   51    HB   THR   7           HB       THR   7   5.254   5.386   4.107
   52    HG1  THR   7           HG1      THR   7   5.355   3.915   5.660
   53   1HG2  THR   7          2HG2      THR   7   3.189   5.093   2.679
   54   2HG2  THR   7          3HG2      THR   7   2.993   3.474   3.400
   55   3HG2  THR   7          1HG2      THR   7   2.929   4.934   4.417
   56    H    LYS   8           H        LYS   8   6.658   6.325   2.277
   57    HA   LYS   8           HA       LYS   8   9.216   5.631   3.413
   58   1HB   LYS   8          1HB       LYS   8   9.722   5.162   1.091
   59   2HB   LYS   8          2HB       LYS   8   9.047   6.694   0.554
   60   1HG   LYS   8          1HG       LYS   8  10.819   7.923   1.724
   61   2HG   LYS   8          2HG       LYS   8  11.443   6.420   2.404
   62   1HD   LYS   8          1HD       LYS   8  11.354   6.950  -0.586
   63   2HD   LYS   8          2HD       LYS   8  12.728   7.365   0.449
   64   1HE   LYS   8          1HE       LYS   8  12.895   4.992   1.203
   65   2HE   LYS   8          2HE       LYS   8  11.560   4.575   0.122
   66   1HZ   LYS   8          2HZ       LYS   8  12.969   5.301  -1.747
   67   2HZ   LYS   8          3HZ       LYS   8  14.173   5.650  -0.742
   68   3HZ   LYS   8          1HZ       LYS   8  13.694   4.084  -0.889
   69    H    GLU   9           H        GLU   9   9.733   7.314   4.660
   70    HA   GLU   9           HA       GLU   9   8.039   9.379   5.260
   71   1HB   GLU   9          1HB       GLU   9   9.947   8.608   6.671
   72   2HB   GLU   9          2HB       GLU   9  11.072   9.427   5.572
   73   1HG   GLU   9          1HG       GLU   9   9.794  11.590   6.076
   74   2HG   GLU   9          2HG       GLU   9   8.873  10.685   7.276
   75    H    THR  10           H        THR  10  11.031   9.693   3.273
   76    HA   THR  10           HA       THR  10  10.048  12.205   2.114
   77    HB   THR  10           HB       THR  10  12.275  12.072   2.925
   78    HG1  THR  10           HG1      THR  10  12.534  12.155   0.141
   79   1HG2  THR  10          2HG2      THR  10  12.895   9.723   2.660
   80   2HG2  THR  10          3HG2      THR  10  12.975   9.933   0.897
   81   3HG2  THR  10          1HG2      THR  10  14.087  10.813   1.955
   82    H    CYS  11           H        CYS  11   8.157  11.282   1.216
   83    HA   CYS  11           HA       CYS  11   8.356  10.734  -1.513
   84   1HB   CYS  11          1HB       CYS  11   8.954   8.442  -0.962
   85   2HB   CYS  11          2HB       CYS  11   7.580   8.318   0.140
   86    HA   PRO  12           HA       PRO  12   4.480  12.457   0.135
   87   1HB   PRO  12          1HB       PRO  12   3.655  13.913  -1.964
   88   2HB   PRO  12          2HB       PRO  12   4.961  14.459  -0.852
   89   1HG   PRO  12          1HG       PRO  12   5.251  13.198  -3.584
   90   2HG   PRO  12          2HG       PRO  12   6.161  14.573  -2.887
   91   1HD   PRO  12          1HD       PRO  12   7.133  12.001  -2.926
   92   2HD   PRO  12          2HD       PRO  12   7.534  13.158  -1.624
   93    H    TYR  13           H        TYR  13   4.824  10.838  -3.031
   94    HA   TYR  13           HA       TYR  13   2.124  10.192  -3.472
   95   1HB   TYR  13          1HB       TYR  13   4.305   9.849  -4.912
   96   2HB   TYR  13          2HB       TYR  13   4.432   8.311  -4.097
   97    HD1  TYR  13           HD2      TYR  13   1.466  10.216  -5.522
   98    HD2  TYR  13           HD1      TYR  13   4.006   6.747  -5.829
   99    HE1  TYR  13           HE2      TYR  13  -0.095   9.229  -7.118
  100    HE2  TYR  13           HE1      TYR  13   2.406   5.731  -7.452
  101    HH   TYR  13           HH       TYR  13  -0.608   7.434  -8.414
  102    H    SER  14           H        SER  14   4.468   8.769  -1.265
  103    HA   SER  14           HA       SER  14   2.902   6.515  -0.382
  104   1HB   SER  14          1HB       SER  14   4.944   6.125   0.361
  105   2HB   SER  14          2HB       SER  14   5.474   7.752   0.124
  106    HG   SER  14           HG       SER  14   5.469   8.054   2.151
  107    H    HIS  15           H        HIS  15   3.350   9.844   0.897
  108    HA   HIS  15           HA       HIS  15   1.456   9.312   3.002
  109   1HB   HIS  15          1HB       HIS  15   2.373  12.030   1.980
  110   2HB   HIS  15          2HB       HIS  15   1.513  11.723   3.490
  111    HD1  HIS  15           HD1      HIS  15   2.960   9.827   5.227
  112    HD2  HIS  15           HD2      HIS  15   4.991  12.053   2.217
  113    HE1  HIS  15           HE1      HIS  15   5.425   9.747   5.781
  114    HE2  HIS  15           HE2      HIS  15   6.651  11.146   3.950
  115    H    ARG  16           H        ARG  16   1.000  10.623  -0.234
  116    HA   ARG  16           HA       ARG  16  -1.686  11.461  -0.198
  117   1HB   ARG  16          1HB       ARG  16   0.242  10.336  -2.154
  118   2HB   ARG  16          2HB       ARG  16  -1.400   9.884  -2.513
  119   1HG   ARG  16          1HG       ARG  16  -2.085  12.227  -2.568
  120   2HG   ARG  16          2HG       ARG  16  -0.446  12.757  -2.131
  121   1HD   ARG  16          1HD       ARG  16   0.460  12.115  -4.216
  122   2HD   ARG  16          2HD       ARG  16  -0.830  10.951  -4.530
  123    HE   ARG  16           HE       ARG  16  -2.353  12.656  -5.073
  124   1HH1  ARG  16          2HH2      ARG  16   1.035  13.846  -5.086
  125   2HH1  ARG  16          1HH2      ARG  16   0.587  15.327  -5.852
  126   1HH2  ARG  16          2HH1      ARG  16  -2.831  14.578  -6.168
  127   2HH2  ARG  16          1HH1      ARG  16  -1.617  15.757  -6.475
  128    H    ALA  17           H        ALA  17  -0.509   8.068  -0.634
  129    HA   ALA  17           HA       ALA  17  -3.078   6.920  -0.548
  130   1HB   ALA  17          2HB       ALA  17  -0.986   5.752  -1.276
  131   2HB   ALA  17          3HB       ALA  17  -0.472   5.706   0.419
  132   3HB   ALA  17          1HB       ALA  17  -1.929   4.818  -0.093
  133    H    LYS  18           H        LYS  18  -1.264   8.164   2.128
  134    HA   LYS  18           HA       LYS  18  -2.824   6.609   4.057
  135   1HB   LYS  18          1HB       LYS  18  -1.009   8.953   4.659
  136   2HB   LYS  18          2HB       LYS  18  -1.599   7.735   5.776
  137   1HG   LYS  18          1HG       LYS  18   0.476   7.553   3.643
  138   2HG   LYS  18          2HG       LYS  18   0.561   7.035   5.322
  139   1HD   LYS  18          1HD       LYS  18  -0.560   5.611   2.898
  140   2HD   LYS  18          2HD       LYS  18   0.722   5.124   3.930
  141   1HE   LYS  18          1HE       LYS  18  -2.213   4.724   4.248
  142   2HE   LYS  18          2HE       LYS  18  -0.862   3.644   4.590
  143   1HZ   LYS  18          1HZ       LYS  18  -0.445   5.064   6.581
  144   2HZ   LYS  18          2HZ       LYS  18  -1.929   5.767   6.336
  145   3HZ   LYS  18          3HZ       LYS  18  -1.807   4.182   6.628
  146    H    ALA  19           H        ALA  19  -3.137   9.788   2.567
  147    HA   ALA  19           HA       ALA  19  -5.266  10.631   4.372
  148   1HB   ALA  19          3HB       ALA  19  -4.000  12.231   2.895
  149   2HB   ALA  19          1HB       ALA  19  -4.673  11.411   1.462
  150   3HB   ALA  19          2HB       ALA  19  -5.746  12.260   2.585
  151    H    LEU  20           H        LEU  20  -5.030   8.661   1.453
  152    HA   LEU  20           HA       LEU  20  -7.931   8.409   1.163
  153   1HB   LEU  20          1HB       LEU  20  -6.456   7.922  -0.685
  154   2HB   LEU  20          2HB       LEU  20  -5.655   6.624   0.197
  155    HG   LEU  20           HG       LEU  20  -8.540   6.587  -0.814
  156   1HD1  LEU  20          3HD1      LEU  20  -5.917   5.347  -1.754
  157   2HD1  LEU  20          1HD1      LEU  20  -7.487   4.820  -2.342
  158   3HD1  LEU  20          2HD1      LEU  20  -6.946   6.496  -2.623
  159   1HD2  LEU  20          1HD2      LEU  20  -6.930   4.278   0.389
  160   2HD2  LEU  20          2HD2      LEU  20  -8.439   4.941   1.050
  161   3HD2  LEU  20          3HD2      LEU  20  -8.466   4.115  -0.476
  162    H    LEU  21           H        LEU  21  -5.452   6.163   2.405
  163    HA   LEU  21           HA       LEU  21  -7.296   4.246   3.315
  164   1HB   LEU  21          1HB       LEU  21  -4.427   4.871   4.073
  165   2HB   LEU  21          2HB       LEU  21  -5.292   3.513   4.782
  166    HG   LEU  21           HG       LEU  21  -5.192   3.831   1.758
  167   1HD1  LEU  21          3HD1      LEU  21  -3.095   2.436   3.432
  168   2HD1  LEU  21          1HD1      LEU  21  -3.277   2.334   1.663
  169   3HD1  LEU  21          2HD1      LEU  21  -2.874   3.883   2.397
  170   1HD2  LEU  21          2HD2      LEU  21  -5.479   1.420   3.604
  171   2HD2  LEU  21          3HD2      LEU  21  -6.759   2.168   2.612
  172   3HD2  LEU  21          1HD2      LEU  21  -5.410   1.343   1.843
  173    H    SER  22           H        SER  22  -6.101   7.171   4.998
  174    HA   SER  22           HA       SER  22  -7.447   6.399   7.442
  175   1HB   SER  22          1HB       SER  22  -5.493   8.047   7.311
  176   2HB   SER  22          2HB       SER  22  -6.538   9.184   6.454
  177    HG   SER  22           HG       SER  22  -7.318   8.134   8.953
  178    H    SER  23           H        SER  23  -8.305   8.564   4.610
  179    HA   SER  23           HA       SER  23 -10.759   9.431   5.602
  180   1HB   SER  23          1HB       SER  23  -9.609  10.080   3.451
  181   2HB   SER  23          2HB       SER  23 -10.235   8.595   2.719
  182    HG   SER  23           HG       SER  23 -12.338   9.410   3.041
  183    H    LYS  24           H        LYS  24  -9.977   6.362   3.978
  184    HA   LYS  24           HA       LYS  24 -12.685   5.260   4.203
  185   1HB   LYS  24          1HB       LYS  24 -10.008   4.316   3.125
  186   2HB   LYS  24          2HB       LYS  24 -11.351   3.197   3.324
  187   1HG   LYS  24          1HG       LYS  24 -11.319   3.883   1.069
  188   2HG   LYS  24          2HG       LYS  24 -12.777   4.479   1.855
  189   1HD   LYS  24          1HD       LYS  24 -11.768   6.759   1.932
  190   2HD   LYS  24          2HD       LYS  24 -10.310   6.144   1.162
  191   1HE   LYS  24          1HE       LYS  24 -11.937   7.412  -0.299
  192   2HE   LYS  24          2HE       LYS  24 -11.354   5.852  -0.905
  193   1HZ   LYS  24          1HZ       LYS  24 -13.908   5.947   0.527
  194   2HZ   LYS  24          2HZ       LYS  24 -13.825   6.376  -1.055
  195   3HZ   LYS  24          3HZ       LYS  24 -13.304   4.875  -0.615
  196    H    GLY  25           H        GLY  25 -10.422   5.727   6.614
  197   1HA   GLY  25          1HA       GLY  25 -10.078   4.803   8.662
  198   2HA   GLY  25          2HA       GLY  25 -11.680   4.074   8.464
  199    H    VAL  26           H        VAL  26  -8.722   3.388   6.549
  200    HA   VAL  26           HA       VAL  26  -9.472   0.548   6.804
  201    HB   VAL  26           HB       VAL  26  -7.142   1.713   5.285
  202   1HG1  VAL  26          2HG1      VAL  26  -6.976  -0.736   5.471
  203   2HG1  VAL  26          3HG1      VAL  26  -8.637  -0.880   4.837
  204   3HG1  VAL  26          1HG1      VAL  26  -7.338  -0.252   3.821
  205   1HG2  VAL  26          2HG2      VAL  26 -10.058   1.282   4.464
  206   2HG2  VAL  26          3HG2      VAL  26  -9.133   2.794   4.437
  207   3HG2  VAL  26          1HG2      VAL  26  -8.772   1.518   3.274
  208    H    SER  27           H        SER  27  -8.120  -1.090   7.466
  209    HA   SER  27           HA       SER  27  -6.416  -0.465   9.787
  210   1HB   SER  27          1HB       SER  27  -6.869  -3.134   9.948
  211   2HB   SER  27          2HB       SER  27  -7.969  -1.917  10.584
  212    HG   SER  27           HG       SER  27  -8.714  -3.721   9.036
  213    H    PHE  28           H        PHE  28  -4.938   0.268   7.866
  214    HA   PHE  28           HA       PHE  28  -3.559  -1.903   6.441
  215   1HB   PHE  28          1HB       PHE  28  -2.102  -0.126   5.585
  216   2HB   PHE  28          2HB       PHE  28  -3.790   0.284   5.357
  217    HD1  PHE  28           HD2      PHE  28  -0.727   1.072   7.373
  218    HD2  PHE  28           HD1      PHE  28  -4.840   2.117   6.556
  219    HE1  PHE  28           HE2      PHE  28  -0.531   3.043   8.860
  220    HE2  PHE  28           HE1      PHE  28  -4.627   4.077   7.995
  221    HZ   PHE  28           HZ       PHE  28  -2.491   4.531   9.220
  222    H    GLN  29           H        GLN  29  -1.136  -2.040   6.600
  223    HA   GLN  29           HA       GLN  29  -0.034  -1.660   9.289
  224   1HB   GLN  29          1HB       GLN  29  -0.673  -4.079   8.773
  225   2HB   GLN  29          2HB       GLN  29   0.434  -4.027   7.409
  226   1HG   GLN  29          1HG       GLN  29   1.579  -5.052   9.265
  227   2HG   GLN  29          2HG       GLN  29   2.311  -3.466   9.016
  228   1HE2  GLN  29          2HE2      GLN  29   1.323  -2.285  12.253
  229   2HE2  GLN  29          1HE2      GLN  29   2.180  -1.900  10.789
  230    H    GLU  30           H        GLU  30   1.242   0.035   8.855
  231    HA   GLU  30           HA       GLU  30   2.177   0.570   6.157
  232   1HB   GLU  30          1HB       GLU  30   1.564   2.134   8.433
  233   2HB   GLU  30          2HB       GLU  30   3.334   2.247   8.264
  234   1HG   GLU  30          1HG       GLU  30   3.060   2.854   5.888
  235   2HG   GLU  30          2HG       GLU  30   1.315   2.786   6.084
  236    H    LEU  31           H        LEU  31   4.203   0.361   5.347
  237    HA   LEU  31           HA       LEU  31   6.385  -0.787   7.033
  238   1HB   LEU  31          1HB       LEU  31   5.917  -1.305   4.085
  239   2HB   LEU  31          2HB       LEU  31   7.236  -1.881   5.065
  240    HG   LEU  31           HG       LEU  31   5.976  -3.716   4.850
  241   1HD1  LEU  31          1HD1      LEU  31   6.324  -3.225   7.303
  242   2HD1  LEU  31          2HD1      LEU  31   4.631  -2.685   7.365
  243   3HD1  LEU  31          3HD1      LEU  31   5.010  -4.359   6.929
  244   1HD2  LEU  31          1HD2      LEU  31   3.438  -2.120   5.123
  245   2HD2  LEU  31          2HD2      LEU  31   4.114  -2.839   3.649
  246   3HD2  LEU  31          3HD2      LEU  31   3.534  -3.888   4.953
  247    HA   PRO  32           HA       PRO  32   7.997   3.259   5.454
  248   1HB   PRO  32          1HB       PRO  32   9.799   3.564   7.586
  249   2HB   PRO  32          2HB       PRO  32   8.185   4.289   7.492
  250   1HG   PRO  32          1HG       PRO  32   9.068   1.836   8.969
  251   2HG   PRO  32          2HG       PRO  32   7.813   3.031   9.417
  252   1HD   PRO  32          1HD       PRO  32   7.276   0.548   8.362
  253   2HD   PRO  32          2HD       PRO  32   6.195   1.954   8.133
  254    H    ILE  33           H        ILE  33   9.302   2.740   3.827
  255    HA   ILE  33           HA       ILE  33  11.772   1.124   4.272
  256    HB   ILE  33           HB       ILE  33  11.942   1.032   1.860
  257   1HG1  ILE  33          1HG1      ILE  33   9.126   1.633   1.266
  258   2HG1  ILE  33          2HG1      ILE  33   9.999   3.038   1.766
  259   1HG2  ILE  33          3HG2      ILE  33   9.396   0.051   3.154
  260   2HG2  ILE  33          1HG2      ILE  33  10.060  -0.561   1.613
  261   3HG2  ILE  33          2HG2      ILE  33  10.983  -0.734   3.129
  262   1HD1  ILE  33          2HD1      ILE  33  11.811   2.385   0.019
  263   2HD1  ILE  33          3HD1      ILE  33  10.529   1.345  -0.657
  264   3HD1  ILE  33          1HD1      ILE  33  10.283   3.081  -0.541
  265    H    ASP  34           H        ASP  34  11.127   3.993   5.030
  266    HA   ASP  34           HA       ASP  34  13.160   5.381   3.563
  267   1HB   ASP  34          1HB       ASP  34  12.949   7.019   5.675
  268   2HB   ASP  34          2HB       ASP  34  11.689   6.975   4.472
  269    H    GLY  35           H        GLY  35  13.019   4.551   7.098
  270   1HA   GLY  35          1HA       GLY  35  15.892   4.215   7.223
  271   2HA   GLY  35          2HA       GLY  35  14.723   3.961   8.517
  272    H    ASN  36           H        ASN  36  14.671   2.281   5.329
  273    HA   ASN  36           HA       ASN  36  15.681  -0.232   6.428
  274   1HB   ASN  36          1HB       ASN  36  13.510  -0.518   7.361
  275   2HB   ASN  36          2HB       ASN  36  12.724   0.279   6.008
  276   1HD2  ASN  36          2HD2      ASN  36  14.007  -3.493   5.248
  277   2HD2  ASN  36          1HD2      ASN  36  14.646  -2.811   6.734
  278    H    ALA  37           H        ALA  37  16.462  -1.462   4.807
  279    HA   ALA  37           HA       ALA  37  15.303  -1.147   2.102
  280   1HB   ALA  37          3HB       ALA  37  17.608  -0.175   2.241
  281   2HB   ALA  37          1HB       ALA  37  18.201  -1.801   2.668
  282   3HB   ALA  37          2HB       ALA  37  17.456  -1.518   1.088
  283    H    ALA  38           H        ALA  38  16.111  -3.373   4.628
  284    HA   ALA  38           HA       ALA  38  16.172  -5.777   3.126
  285   1HB   ALA  38          2HB       ALA  38  16.821  -5.685   5.481
  286   2HB   ALA  38          3HB       ALA  38  15.150  -5.332   5.969
  287   3HB   ALA  38          1HB       ALA  38  15.541  -6.888   5.229
  288    H    LYS  39           H        LYS  39  13.320  -4.861   5.114
  289    HA   LYS  39           HA       LYS  39  11.483  -6.346   3.648
  290   1HB   LYS  39          1HB       LYS  39  11.229  -5.438   5.933
  291   2HB   LYS  39          2HB       LYS  39  10.974  -3.824   5.275
  292   1HG   LYS  39          1HG       LYS  39   8.953  -4.589   4.131
  293   2HG   LYS  39          2HG       LYS  39   9.224  -6.252   4.686
  294   1HD   LYS  39          1HD       LYS  39   8.690  -3.809   6.434
  295   2HD   LYS  39          2HD       LYS  39   7.509  -5.053   5.993
  296   1HE   LYS  39          1HE       LYS  39   8.141  -6.412   7.624
  297   2HE   LYS  39          2HE       LYS  39   9.820  -6.370   7.086
  298   1HZ   LYS  39          3HZ       LYS  39   8.595  -4.357   8.883
  299   2HZ   LYS  39          1HZ       LYS  39   9.559  -5.591   9.345
  300   3HZ   LYS  39          2HZ       LYS  39  10.204  -4.440   8.410
  301    H    ARG  40           H        ARG  40  12.607  -3.070   2.999
  302    HA   ARG  40           HA       ARG  40  10.910  -2.403   0.868
  303   1HB   ARG  40          1HB       ARG  40  12.956  -1.124   1.884
  304   2HB   ARG  40          2HB       ARG  40  13.942  -2.050   0.767
  305   1HG   ARG  40          1HG       ARG  40  11.662  -0.314  -0.039
  306   2HG   ARG  40          2HG       ARG  40  13.348   0.224   0.028
  307   1HD   ARG  40          1HD       ARG  40  12.088  -1.770  -1.900
  308   2HD   ARG  40          2HD       ARG  40  12.690  -0.190  -2.244
  309    HE   ARG  40           HE       ARG  40  14.409  -2.515  -1.416
  310   1HH1  ARG  40          2HH2      ARG  40  14.094   0.559  -3.209
  311   2HH1  ARG  40          1HH2      ARG  40  15.690   0.476  -3.860
  312   1HH2  ARG  40          2HH1      ARG  40  16.498  -2.719  -2.535
  313   2HH2  ARG  40          1HH1      ARG  40  17.025  -1.405  -3.464
  314    H    GLU  41           H        GLU  41  13.964  -4.398   0.656
  315    HA   GLU  41           HA       GLU  41  13.401  -4.864  -2.142
  316   1HB   GLU  41          1HB       GLU  41  15.627  -4.603  -0.911
  317   2HB   GLU  41          2HB       GLU  41  15.439  -6.295  -0.424
  318   1HG   GLU  41          1HG       GLU  41  15.585  -7.042  -2.678
  319   2HG   GLU  41          2HG       GLU  41  15.128  -5.465  -3.340
  320    H    GLU  42           H        GLU  42  12.409  -6.383   0.826
  321    HA   GLU  42           HA       GLU  42  11.706  -8.947  -0.248
  322   1HB   GLU  42          1HB       GLU  42  11.913  -8.188   2.188
  323   2HB   GLU  42          2HB       GLU  42  10.409  -7.318   1.951
  324   1HG   GLU  42          1HG       GLU  42   9.523  -9.117   2.909
  325   2HG   GLU  42          2HG       GLU  42   9.462  -9.694   1.234
  326    H    MET  43           H        MET  43  10.042  -5.729  -0.105
  327    HA   MET  43           HA       MET  43   7.578  -6.343  -1.344
  328   1HB   MET  43          1HB       MET  43   8.360  -4.065  -0.408
  329   2HB   MET  43          2HB       MET  43   9.236  -3.874  -1.906
  330   1HG   MET  43          1HG       MET  43   7.138  -4.098  -3.201
  331   2HG   MET  43          2HG       MET  43   6.259  -4.106  -1.673
  332   1HE   MET  43          3HE       MET  43   8.777  -2.154  -3.959
  333   2HE   MET  43          1HE       MET  43   8.703  -0.493  -3.331
  334   3HE   MET  43          2HE       MET  43   9.532  -1.752  -2.401
  335    H    ILE  44           H        ILE  44  10.761  -5.553  -2.778
  336    HA   ILE  44           HA       ILE  44   9.872  -5.478  -5.481
  337    HB   ILE  44           HB       ILE  44  12.664  -6.077  -4.404
  338   1HG1  ILE  44          1HG1      ILE  44  11.162  -3.505  -4.996
  339   2HG1  ILE  44          2HG1      ILE  44  11.837  -3.993  -3.474
  340   1HG2  ILE  44          1HG2      ILE  44  12.380  -6.648  -6.825
  341   2HG2  ILE  44          2HG2      ILE  44  11.782  -5.004  -7.127
  342   3HG2  ILE  44          3HG2      ILE  44  13.460  -5.293  -6.599
  343   1HD1  ILE  44          2HD1      ILE  44  13.497  -3.167  -5.877
  344   2HD1  ILE  44          3HD1      ILE  44  13.149  -2.209  -4.445
  345   3HD1  ILE  44          1HD1      ILE  44  14.127  -3.685  -4.303
  346    H    LYS  45           H        LYS  45  10.824  -8.195  -3.353
  347    HA   LYS  45           HA       LYS  45  10.612 -10.127  -5.550
  348   1HB   LYS  45          1HB       LYS  45  10.797 -10.540  -2.548
  349   2HB   LYS  45          2HB       LYS  45  10.810 -11.825  -3.770
  350   1HG   LYS  45          1HG       LYS  45  12.823 -10.824  -4.829
  351   2HG   LYS  45          2HG       LYS  45  12.815  -9.531  -3.635
  352   1HD   LYS  45          1HD       LYS  45  12.903 -11.582  -1.912
  353   2HD   LYS  45          2HD       LYS  45  13.550 -12.425  -3.321
  354   1HE   LYS  45          1HE       LYS  45  15.430 -11.538  -2.129
  355   2HE   LYS  45          2HE       LYS  45  15.242 -10.533  -3.571
  356   1HZ   LYS  45          1HZ       LYS  45  14.288  -9.885  -0.849
  357   2HZ   LYS  45          2HZ       LYS  45  15.614  -9.220  -1.567
  358   3HZ   LYS  45          3HZ       LYS  45  14.099  -8.896  -2.149
  359    H    ARG  46           H        ARG  46   8.378  -8.694  -3.192
  360    HA   ARG  46           HA       ARG  46   6.360 -10.723  -3.451
  361   1HB   ARG  46          1HB       ARG  46   6.064  -7.773  -2.736
  362   2HB   ARG  46          2HB       ARG  46   4.798  -8.974  -2.584
  363   1HG   ARG  46          1HG       ARG  46   7.338  -9.685  -1.185
  364   2HG   ARG  46          2HG       ARG  46   6.549  -8.240  -0.606
  365   1HD   ARG  46          1HD       ARG  46   5.833 -10.225   0.668
  366   2HD   ARG  46          2HD       ARG  46   4.484  -9.451  -0.160
  367    HE   ARG  46           HE       ARG  46   4.090 -11.347  -1.302
  368   1HH1  ARG  46          2HH2      ARG  46   7.512 -11.495  -0.411
  369   2HH1  ARG  46          1HH2      ARG  46   7.712 -13.154  -0.884
  370   1HH2  ARG  46          2HH1      ARG  46   4.333 -13.552  -1.869
  371   2HH2  ARG  46          1HH1      ARG  46   5.926 -14.214  -2.073
  372    H    SER  47           H        SER  47   6.836  -7.597  -5.218
  373    HA   SER  47           HA       SER  47   4.675  -8.471  -7.092
  374   1HB   SER  47          1HB       SER  47   4.367  -6.023  -7.401
  375   2HB   SER  47          2HB       SER  47   4.109  -6.557  -5.733
  376    HG   SER  47           HG       SER  47   5.440  -4.718  -5.749
  377    H    GLY  48           H        GLY  48   8.089  -7.728  -7.025
  378   1HA   GLY  48          1HA       GLY  48   9.577  -7.680  -8.811
  379   2HA   GLY  48          2HA       GLY  48   8.240  -7.602  -9.948
  380    H    ARG  49           H        ARG  49   7.255  -5.259  -7.887
  381    HA   ARG  49           HA       ARG  49   8.429  -3.170  -9.656
  382   1HB   ARG  49          1HB       ARG  49   6.095  -3.258  -7.731
  383   2HB   ARG  49          2HB       ARG  49   6.861  -1.720  -8.139
  384   1HG   ARG  49          1HG       ARG  49   6.473  -2.339 -10.597
  385   2HG   ARG  49          2HG       ARG  49   5.369  -3.592  -9.987
  386   1HD   ARG  49          1HD       ARG  49   3.955  -1.983  -8.937
  387   2HD   ARG  49          2HD       ARG  49   5.171  -0.714  -8.999
  388    HE   ARG  49           HE       ARG  49   3.289  -1.412 -11.065
  389   1HH1  ARG  49          2HH2      ARG  49   6.561   0.008 -10.556
  390   2HH1  ARG  49          1HH2      ARG  49   6.362   1.247 -11.709
  391   1HH2  ARG  49          2HH1      ARG  49   3.148   0.123 -12.849
  392   2HH2  ARG  49          1HH1      ARG  49   4.475   1.171 -13.145
  393    H    THR  50           H        THR  50   9.657  -1.456  -8.891
  394    HA   THR  50           HA       THR  50  11.058  -2.016  -6.368
  395    HB   THR  50           HB       THR  50  12.700  -0.408  -7.238
  396    HG1  THR  50           HG1      THR  50  12.284   0.816  -8.880
  397   1HG2  THR  50          2HG2      THR  50  12.847  -2.810  -7.976
  398   2HG2  THR  50          3HG2      THR  50  11.893  -2.405  -9.412
  399   3HG2  THR  50          1HG2      THR  50  13.490  -1.674  -9.168
  400    H    THR  51           H        THR  51   8.885   0.446  -7.757
  401    HA   THR  51           HA       THR  51   9.667   2.479  -5.894
  402    HB   THR  51           HB       THR  51   7.817   3.715  -7.055
  403    HG1  THR  51           HG1      THR  51   6.433   2.001  -7.440
  404   1HG2  THR  51          3HG2      THR  51   9.657   2.218  -8.983
  405   2HG2  THR  51          1HG2      THR  51   8.775   3.707  -9.326
  406   3HG2  THR  51          2HG2      THR  51  10.048   3.717  -8.112
  407    H    VAL  52           H        VAL  52   8.269   3.583  -4.416
  408    HA   VAL  52           HA       VAL  52   5.955   2.064  -3.366
  409    HB   VAL  52           HB       VAL  52   6.345   3.504  -1.298
  410   1HG1  VAL  52          3HG1      VAL  52   7.022   1.106  -1.663
  411   2HG1  VAL  52          1HG1      VAL  52   8.646   1.692  -2.061
  412   3HG1  VAL  52          2HG1      VAL  52   7.934   2.008  -0.454
  413   1HG2  VAL  52          3HG2      VAL  52   7.758   5.264  -2.375
  414   2HG2  VAL  52          1HG2      VAL  52   8.415   4.560  -0.892
  415   3HG2  VAL  52          2HG2      VAL  52   9.080   4.079  -2.464
  416    HA   PRO  53           HA       PRO  53   4.453   2.831  -1.587
  417   1HB   PRO  53          1HB       PRO  53   1.786   3.065  -1.424
  418   2HB   PRO  53          2HB       PRO  53   2.860   4.360  -0.821
  419   1HG   PRO  53          1HG       PRO  53   1.409   4.211  -3.476
  420   2HG   PRO  53          2HG       PRO  53   1.510   5.593  -2.342
  421   1HD   PRO  53          1HD       PRO  53   3.136   5.224  -4.562
  422   2HD   PRO  53          2HD       PRO  53   3.654   6.166  -3.127
  423    H    GLN  54           H        GLN  54   3.177   0.859  -1.525
  424    HA   GLN  54           HA       GLN  54   1.897  -0.076  -3.928
  425   1HB   GLN  54          1HB       GLN  54   4.222  -1.604  -2.654
  426   2HB   GLN  54          2HB       GLN  54   3.003  -2.327  -3.713
  427   1HG   GLN  54          1HG       GLN  54   3.655  -0.670  -5.505
  428   2HG   GLN  54          2HG       GLN  54   4.964  -0.137  -4.444
  429   1HE2  GLN  54          2HE2      GLN  54   7.113  -2.677  -5.714
  430   2HE2  GLN  54          1HE2      GLN  54   6.870  -1.023  -5.163
  431    H    ILE  55           H        ILE  55   0.111  -1.355  -3.240
  432    HA   ILE  55           HA       ILE  55  -0.043  -1.782  -0.313
  433    HB   ILE  55           HB       ILE  55  -2.230  -1.235  -2.361
  434   1HG1  ILE  55          1HG1      ILE  55  -2.697   0.646  -0.618
  435   2HG1  ILE  55          2HG1      ILE  55  -1.056   0.395  -0.089
  436   1HG2  ILE  55          2HG2      ILE  55  -2.998  -2.878  -0.660
  437   2HG2  ILE  55          3HG2      ILE  55  -2.476  -1.782   0.634
  438   3HG2  ILE  55          1HG2      ILE  55  -3.796  -1.328  -0.453
  439   1HD1  ILE  55          2HD1      ILE  55  -1.727   1.049  -2.986
  440   2HD1  ILE  55          3HD1      ILE  55  -1.504   2.304  -1.749
  441   3HD1  ILE  55          1HD1      ILE  55  -0.166   1.237  -2.159
  442    H    PHE  56           H        PHE  56  -0.754  -3.793   0.301
  443    HA   PHE  56           HA       PHE  56  -1.233  -5.828  -1.744
  444   1HB   PHE  56          1HB       PHE  56   0.601  -6.182   0.665
  445   2HB   PHE  56          2HB       PHE  56   0.007  -7.484  -0.352
  446    HD1  PHE  56           HD1      PHE  56   2.135  -4.402  -0.365
  447    HD2  PHE  56           HD2      PHE  56   1.152  -8.087  -2.374
  448    HE1  PHE  56           HE1      PHE  56   4.028  -4.054  -1.925
  449    HE2  PHE  56           HE2      PHE  56   3.068  -7.763  -3.903
  450    HZ   PHE  56           HZ       PHE  56   4.497  -5.724  -3.716
  451    H    ILE  57           H        ILE  57  -2.891  -7.243  -1.017
  452    HA   ILE  57           HA       ILE  57  -4.024  -6.790   1.662
  453    HB   ILE  57           HB       ILE  57  -5.731  -6.776  -0.862
  454   1HG1  ILE  57          1HG1      ILE  57  -5.021  -4.462   1.000
  455   2HG1  ILE  57          2HG1      ILE  57  -4.532  -4.652  -0.679
  456   1HG2  ILE  57          2HG2      ILE  57  -6.401  -6.473   2.112
  457   2HG2  ILE  57          3HG2      ILE  57  -7.566  -6.295   0.783
  458   3HG2  ILE  57          1HG2      ILE  57  -6.808  -7.849   1.071
  459   1HD1  ILE  57          1HD1      ILE  57  -7.034  -4.678  -1.282
  460   2HD1  ILE  57          2HD1      ILE  57  -7.297  -4.034   0.357
  461   3HD1  ILE  57          3HD1      ILE  57  -6.285  -3.146  -0.806
  462    H    ASP  58           H        ASP  58  -3.882  -8.735   2.511
  463    HA   ASP  58           HA       ASP  58  -3.730 -11.005   2.761
  464   1HB   ASP  58          1HB       ASP  58  -5.760 -11.053   0.545
  465   2HB   ASP  58          2HB       ASP  58  -5.513 -12.308   1.770
  466    H    ALA  59           H        ALA  59  -1.795  -9.985   1.344
  467    HA   ALA  59           HA       ALA  59   0.063 -10.398   0.170
  468   1HB   ALA  59          1HB       ALA  59  -0.097 -12.651   1.169
  469   2HB   ALA  59          2HB       ALA  59  -0.990 -13.210  -0.257
  470   3HB   ALA  59          3HB       ALA  59   0.679 -12.658  -0.428
  471    H    GLN  60           H        GLN  60  -2.930 -10.349  -1.420
  472    HA   GLN  60           HA       GLN  60  -1.804 -10.618  -4.132
  473   1HB   GLN  60          1HB       GLN  60  -4.429  -9.496  -3.170
  474   2HB   GLN  60          2HB       GLN  60  -3.974  -9.702  -4.857
  475   1HG   GLN  60          1HG       GLN  60  -3.837 -12.115  -4.604
  476   2HG   GLN  60          2HG       GLN  60  -4.151 -12.013  -2.867
  477   1HE2  GLN  60          2HE2      GLN  60  -7.650 -11.972  -3.240
  478   2HE2  GLN  60          1HE2      GLN  60  -6.239 -12.243  -2.214
  479    H    HIS  61           H        HIS  61  -1.069  -8.926  -5.279
  480    HA   HIS  61           HA       HIS  61  -0.357  -6.427  -3.898
  481   1HB   HIS  61          1HB       HIS  61   1.213  -7.620  -5.355
  482   2HB   HIS  61          2HB       HIS  61   0.059  -7.600  -6.681
  483    HD1  HIS  61           HD1      HIS  61   0.999  -6.099  -8.434
  484    HD2  HIS  61           HD2      HIS  61   1.655  -4.775  -4.466
  485    HE1  HIS  61           HE1      HIS  61   2.452  -3.980  -8.594
  486    HE2  HIS  61           HE2      HIS  61   2.913  -3.245  -6.152
  487    H    ILE  62           H        ILE  62  -1.073  -4.358  -4.598
  488    HA   ILE  62           HA       ILE  62  -3.488  -4.309  -6.319
  489    HB   ILE  62           HB       ILE  62  -2.344  -2.051  -4.633
  490   1HG1  ILE  62          1HG1      ILE  62  -2.945  -3.577  -3.014
  491   2HG1  ILE  62          2HG1      ILE  62  -4.276  -2.444  -3.105
  492   1HG2  ILE  62          3HG2      ILE  62  -5.024  -2.367  -6.035
  493   2HG2  ILE  62          1HG2      ILE  62  -4.557  -1.021  -4.976
  494   3HG2  ILE  62          2HG2      ILE  62  -3.718  -1.269  -6.503
  495   1HD1  ILE  62          1HD1      ILE  62  -5.553  -4.114  -4.540
  496   2HD1  ILE  62          2HD1      ILE  62  -4.275  -5.291  -4.152
  497   3HD1  ILE  62          3HD1      ILE  62  -5.260  -4.610  -2.871
  498    H    GLY  63           H        GLY  63  -0.828  -1.970  -5.820
  499   1HA   GLY  63          1HA       GLY  63   0.629  -1.930  -8.123
  500   2HA   GLY  63          2HA       GLY  63  -0.927  -1.171  -8.548
  501    H    GLY  64           H        GLY  64  -0.247   0.978  -8.562
  502   1HA   GLY  64          1HA       GLY  64   1.253   2.160  -6.330
  503   2HA   GLY  64          2HA       GLY  64   0.700   2.966  -7.809
  504    H    TYR  65           H        TYR  65   0.082   4.704  -6.293
  505    HA   TYR  65           HA       TYR  65  -2.064   4.232  -4.341
  506   1HB   TYR  65          1HB       TYR  65  -0.432   5.869  -3.699
  507   2HB   TYR  65          2HB       TYR  65  -0.449   6.632  -5.282
  508    HD1  TYR  65           HD2      TYR  65  -2.974   5.723  -2.648
  509    HD2  TYR  65           HD1      TYR  65  -1.598   8.680  -5.470
  510    HE1  TYR  65           HE2      TYR  65  -4.726   7.276  -1.892
  511    HE2  TYR  65           HE1      TYR  65  -3.370  10.212  -4.728
  512    HH   TYR  65           HH       TYR  65  -5.527  10.187  -3.582
  513    H    ASP  66           H        ASP  66  -1.798   6.011  -7.502
  514    HA   ASP  66           HA       ASP  66  -4.543   6.750  -7.517
  515   1HB   ASP  66          1HB       ASP  66  -2.615   6.146  -9.799
  516   2HB   ASP  66          2HB       ASP  66  -4.278   6.691 -10.046
  517    H    ASP  67           H        ASP  67  -2.854   3.818  -8.540
  518    HA   ASP  67           HA       ASP  67  -4.978   2.343  -9.590
  519   1HB   ASP  67          1HB       ASP  67  -2.708   1.200  -7.921
  520   2HB   ASP  67          2HB       ASP  67  -3.739   0.326  -9.023
  521    H    LEU  68           H        LEU  68  -3.788   2.473  -6.176
  522    HA   LEU  68           HA       LEU  68  -5.830   0.881  -5.080
  523   1HB   LEU  68          1HB       LEU  68  -3.753   1.626  -3.836
  524   2HB   LEU  68          2HB       LEU  68  -4.512   3.211  -3.644
  525    HG   LEU  68           HG       LEU  68  -6.548   1.893  -2.613
  526   1HD1  LEU  68          1HD1      LEU  68  -4.360  -0.200  -2.475
  527   2HD1  LEU  68          2HD1      LEU  68  -5.825  -0.235  -1.476
  528   3HD1  LEU  68          3HD1      LEU  68  -5.965  -0.359  -3.225
  529   1HD2  LEU  68          1HD2      LEU  68  -3.949   2.272  -1.159
  530   2HD2  LEU  68          2HD2      LEU  68  -5.370   3.313  -1.211
  531   3HD2  LEU  68          3HD2      LEU  68  -5.477   1.769  -0.383
  532    H    TYR  69           H        TYR  69  -5.773   4.438  -5.476
  533    HA   TYR  69           HA       TYR  69  -8.257   4.984  -4.233
  534   1HB   TYR  69          1HB       TYR  69  -6.683   6.742  -5.084
  535   2HB   TYR  69          2HB       TYR  69  -7.186   6.385  -6.717
  536    HD1  TYR  69           HD2      TYR  69  -9.315   6.735  -3.574
  537    HD2  TYR  69           HD1      TYR  69  -8.353   8.279  -7.494
  538    HE1  TYR  69           HE2      TYR  69 -11.201   8.297  -3.420
  539    HE2  TYR  69           HE1      TYR  69 -10.208   9.886  -7.319
  540    HH   TYR  69           HH       TYR  69 -11.861  10.845  -5.837
  541    H    ALA  70           H        ALA  70  -7.700   4.106  -7.593
  542    HA   ALA  70           HA       ALA  70 -10.545   4.101  -8.293
  543   1HB   ALA  70          2HB       ALA  70  -8.158   2.738  -9.625
  544   2HB   ALA  70          3HB       ALA  70  -9.805   2.779 -10.288
  545   3HB   ALA  70          1HB       ALA  70  -8.911   4.291 -10.075
  546    H    LEU  71           H        LEU  71  -8.200   1.604  -7.275
  547    HA   LEU  71           HA       LEU  71  -9.989  -0.589  -7.451
  548   1HB   LEU  71          1HB       LEU  71  -7.466  -0.692  -7.277
  549   2HB   LEU  71          2HB       LEU  71  -7.600  -0.296  -5.582
  550    HG   LEU  71           HG       LEU  71  -7.282  -2.753  -6.332
  551   1HD1  LEU  71          3HD1      LEU  71  -9.170  -2.005  -4.200
  552   2HD1  LEU  71          1HD1      LEU  71  -8.481  -3.629  -4.398
  553   3HD1  LEU  71          2HD1      LEU  71  -7.429  -2.240  -4.082
  554   1HD2  LEU  71          2HD2      LEU  71  -8.981  -2.943  -7.972
  555   2HD2  LEU  71          3HD2      LEU  71  -9.228  -4.111  -6.675
  556   3HD2  LEU  71          1HD2      LEU  71 -10.250  -2.657  -6.764
  557    H    ASP  72           H        ASP  72  -9.464   1.796  -4.851
  558    HA   ASP  72           HA       ASP  72 -11.195   0.497  -2.940
  559   1HB   ASP  72          1HB       ASP  72  -9.536   2.197  -2.219
  560   2HB   ASP  72          2HB       ASP  72 -10.369   3.420  -3.162
  561    H    ALA  73           H        ALA  73 -11.620   3.363  -5.011
  562    HA   ALA  73           HA       ALA  73 -14.302   3.708  -4.277
  563   1HB   ALA  73          3HB       ALA  73 -12.832   5.486  -5.160
  564   2HB   ALA  73          1HB       ALA  73 -12.855   4.707  -6.759
  565   3HB   ALA  73          2HB       ALA  73 -14.352   5.397  -6.068
  566    H    ARG  74           H        ARG  74 -13.020   1.632  -6.758
  567    HA   ARG  74           HA       ARG  74 -15.580   1.138  -8.041
  568   1HB   ARG  74          1HB       ARG  74 -14.439  -0.330  -9.391
  569   2HB   ARG  74          2HB       ARG  74 -13.194   0.803  -8.990
  570   1HG   ARG  74          1HG       ARG  74 -11.983  -1.094  -8.575
  571   2HG   ARG  74          2HG       ARG  74 -12.720  -0.994  -6.999
  572   1HD   ARG  74          1HD       ARG  74 -14.173  -2.775  -7.402
  573   2HD   ARG  74          2HD       ARG  74 -14.229  -2.480  -9.138
  574    HE   ARG  74           HE       ARG  74 -11.641  -3.242  -8.733
  575   1HH1  ARG  74          2HH2      ARG  74 -14.821  -4.768  -8.169
  576   2HH1  ARG  74          1HH2      ARG  74 -14.355  -6.261  -8.933
  577   1HH2  ARG  74          2HH1      ARG  74 -10.964  -5.294  -9.355
  578   2HH2  ARG  74          1HH1      ARG  74 -12.065  -6.638  -9.373
  579    H    GLY  75           H        GLY  75 -14.230   0.173  -5.022
  580   1HA   GLY  75          1HA       GLY  75 -15.112  -1.177  -3.405
  581   2HA   GLY  75          2HA       GLY  75 -16.334  -1.769  -4.530
  582    H    GLY  76           H        GLY  76 -12.667  -1.894  -5.107
  583   1HA   GLY  76          1HA       GLY  76 -12.854  -4.837  -5.037
  584   2HA   GLY  76          2HA       GLY  76 -11.569  -3.867  -5.705
  585    H    LEU  77           H        LEU  77 -11.348  -1.978  -3.510
  586    HA   LEU  77           HA       LEU  77  -9.614  -3.467  -1.768
  587   1HB   LEU  77          1HB       LEU  77  -9.415  -0.969  -2.373
  588   2HB   LEU  77          2HB       LEU  77 -10.722  -0.644  -1.266
  589    HG   LEU  77           HG       LEU  77  -7.999  -1.722  -0.557
  590   1HD1  LEU  77          3HD1      LEU  77  -8.093   0.649  -1.244
  591   2HD1  LEU  77          1HD1      LEU  77  -9.333   0.957  -0.016
  592   3HD1  LEU  77          2HD1      LEU  77  -7.695   0.507   0.472
  593   1HD2  LEU  77          2HD2      LEU  77 -10.341  -1.089   1.279
  594   2HD2  LEU  77          3HD2      LEU  77  -9.419  -2.609   1.180
  595   3HD2  LEU  77          1HD2      LEU  77  -8.667  -1.164   1.843
  596    H    ASP  78           H        ASP  78 -12.658  -1.734  -1.365
  597    HA   ASP  78           HA       ASP  78 -12.971  -1.942   1.350
  598   1HB   ASP  78          1HB       ASP  78 -14.257  -0.541  -0.328
  599   2HB   ASP  78          2HB       ASP  78 -15.382  -1.893  -0.484
  600    HA   PRO  79           HA       PRO  79 -15.672  -5.804   1.389
  601   1HB   PRO  79          1HB       PRO  79 -15.754  -7.604  -0.669
  602   2HB   PRO  79          2HB       PRO  79 -16.813  -6.166  -0.570
  603   1HG   PRO  79          1HG       PRO  79 -14.187  -6.455  -2.064
  604   2HG   PRO  79          2HG       PRO  79 -15.751  -5.839  -2.693
  605   1HD   PRO  79          1HD       PRO  79 -13.826  -4.164  -1.851
  606   2HD   PRO  79          2HD       PRO  79 -15.546  -3.830  -1.486
  607    H    LEU  80           H        LEU  80 -12.377  -5.800   0.335
  608    HA   LEU  80           HA       LEU  80 -11.825  -8.552   1.302
  609   1HB   LEU  80          1HB       LEU  80 -10.010  -6.287   0.398
  610   2HB   LEU  80          2HB       LEU  80  -9.446  -7.879   0.892
  611    HG   LEU  80           HG       LEU  80 -11.395  -7.533  -1.416
  612   1HD1  LEU  80          1HD1      LEU  80  -8.363  -7.536  -1.410
  613   2HD1  LEU  80          2HD1      LEU  80  -9.384  -7.714  -2.857
  614   3HD1  LEU  80          3HD1      LEU  80  -9.410  -6.209  -1.904
  615   1HD2  LEU  80          2HD2      LEU  80  -9.447  -9.767  -0.665
  616   2HD2  LEU  80          3HD2      LEU  80 -11.209  -9.826  -0.458
  617   3HD2  LEU  80          1HD2      LEU  80 -10.515  -9.741  -2.084
  618    H    LEU  81           H        LEU  81 -12.363  -5.484   2.676
  619    HA   LEU  81           HA       LEU  81 -10.545  -5.770   4.915
  620   1HB   LEU  81          1HB       LEU  81 -11.919  -3.683   3.874
  621   2HB   LEU  81          2HB       LEU  81 -13.107  -4.183   5.059
  622    HG   LEU  81           HG       LEU  81 -11.694  -2.359   5.814
  623   1HD1  LEU  81          2HD1      LEU  81 -12.510  -4.101   7.481
  624   2HD1  LEU  81          3HD1      LEU  81 -10.854  -4.763   7.443
  625   3HD1  LEU  81          1HD1      LEU  81 -11.142  -3.109   7.998
  626   1HD2  LEU  81          3HD2      LEU  81  -9.650  -2.949   4.515
  627   2HD2  LEU  81          1HD2      LEU  81  -9.327  -2.546   6.222
  628   3HD2  LEU  81          2HD2      LEU  81  -9.288  -4.227   5.694
  629    H    LYS  82           H        LYS  82 -13.494  -7.273   3.936
  630    HA   LYS  82           HA       LYS  82 -14.103  -8.307   6.631
  631   1HB   LYS  82          1HB       LYS  82 -15.532  -8.120   4.013
  632   2HB   LYS  82          2HB       LYS  82 -15.648  -9.704   4.750
  633   1HG   LYS  82          1HG       LYS  82 -16.313  -7.202   6.334
  634   2HG   LYS  82          2HG       LYS  82 -17.464  -7.972   5.251
  635   1HD   LYS  82          1HD       LYS  82 -17.980  -8.790   7.359
  636   2HD   LYS  82          2HD       LYS  82 -17.210 -10.125   6.534
  637   1HE   LYS  82          1HE       LYS  82 -15.512  -8.337   8.275
  638   2HE   LYS  82          2HE       LYS  82 -16.688  -9.385   9.078
  639   1HZ   LYS  82          2HZ       LYS  82 -14.608 -10.393   7.233
  640   2HZ   LYS  82          3HZ       LYS  82 -14.500 -10.386   8.851
  641   3HZ   LYS  82          1HZ       LYS  82 -15.678 -11.288   8.111
  642   1HB2  GTT  83          1HB2      GTT  83   9.048   6.868  -3.377
  643   2HB2  GTT  83          2HB2      GTT  83  10.121   8.192  -3.793
  644    HA2  GTT  83           HA2      GTT  83   9.897   7.835  -6.101
  645    HN2  GTT  83           HN2      GTT  83   7.274   6.593  -5.444
  646   1HG1  GTT  83          1HG1      GTT  83   5.698   7.028  -7.651
  647   2HG1  GTT  83          2HG1      GTT  83   6.252   5.377  -7.337
  648   1HB1  GTT  83          1HB1      GTT  83   7.379   5.479  -9.670
  649   2HB1  GTT  83          2HB1      GTT  83   6.484   6.975  -9.905
  650    HA1  GTT  83           HA1      GTT  83   4.354   5.631  -9.416
  651   1HN1  GTT  83          1HN1      GTT  83   4.526   3.329  -9.922
  652   2HN1  GTT  83          2HN1      GTT  83   6.157   3.393 -10.008
  653   3HN1  GTT  83          3HN1      GTT  83   5.381   3.612  -8.546
  654    HN3  GTT  83           HN3      GTT  83  11.752   6.383  -6.310
  655   1HA3  GTT  83          1HA3      GTT  83  11.870   3.973  -4.783
  656   2HA3  GTT  83          2HA3      GTT  83  11.420   3.588  -6.452
   
  No H/Q in entry =         656
  Start of MODEL    2
    1   1H    ALA   1          3H        ALA   1  -8.158 -10.345   6.698
    2   2H    ALA   1          1H        ALA   1  -9.245  -9.400   5.893
    3   3H    ALA   1          2H        ALA   1  -7.835  -9.870   5.152
    4    HA   ALA   1           HA       ALA   1  -7.687  -7.624   5.747
    5   1HB   ALA   1          3HB       ALA   1  -9.313  -7.652   7.624
    6   2HB   ALA   1          1HB       ALA   1  -8.138  -8.541   8.612
    7   3HB   ALA   1          2HB       ALA   1  -7.776  -6.895   8.065
    8    H    ASN   2           H        ASN   2  -5.619  -7.527   5.191
    9    HA   ASN   2           HA       ASN   2  -3.624  -7.447   7.284
   10   1HB   ASN   2          1HB       ASN   2  -3.641  -9.878   6.318
   11   2HB   ASN   2          2HB       ASN   2  -2.963  -9.198   4.866
   12   1HD2  ASN   2          2HD2      ASN   2   0.083  -8.135   6.802
   13   2HD2  ASN   2          1HD2      ASN   2  -1.063  -7.363   5.720
   14    H    VAL   3           H        VAL   3  -4.553  -5.219   6.280
   15    HA   VAL   3           HA       VAL   3  -3.793  -4.626   3.533
   16    HB   VAL   3           HB       VAL   3  -4.809  -2.778   5.711
   17   1HG1  VAL   3          1HG1      VAL   3  -3.822  -1.567   3.832
   18   2HG1  VAL   3          2HG1      VAL   3  -4.860  -2.436   2.692
   19   3HG1  VAL   3          3HG1      VAL   3  -5.573  -1.336   3.889
   20   1HG2  VAL   3          2HG2      VAL   3  -6.484  -4.539   5.441
   21   2HG2  VAL   3          3HG2      VAL   3  -7.044  -3.001   4.799
   22   3HG2  VAL   3          1HG2      VAL   3  -6.512  -4.267   3.684
   23    H    GLU   4           H        GLU   4  -1.590  -4.565   3.286
   24    HA   GLU   4           HA       GLU   4   0.062  -3.115   5.294
   25   1HB   GLU   4          1HB       GLU   4   0.618  -5.120   3.078
   26   2HB   GLU   4          2HB       GLU   4   1.911  -4.116   3.710
   27   1HG   GLU   4          1HG       GLU   4   1.526  -4.987   5.990
   28   2HG   GLU   4          2HG       GLU   4   0.136  -5.911   5.413
   29    H    ILE   5           H        ILE   5   1.201  -1.243   4.545
   30    HA   ILE   5           HA       ILE   5   1.009  -0.481   1.705
   31    HB   ILE   5           HB       ILE   5  -0.853   0.664   2.533
   32   1HG1  ILE   5          1HG1      ILE   5   1.388   2.706   2.590
   33   2HG1  ILE   5          2HG1      ILE   5   0.925   1.875   1.112
   34   1HG2  ILE   5          1HG2      ILE   5  -0.349   0.554   5.002
   35   2HG2  ILE   5          2HG2      ILE   5   0.774   1.904   4.795
   36   3HG2  ILE   5          3HG2      ILE   5  -0.962   2.116   4.467
   37   1HD1  ILE   5          3HD1      ILE   5  -0.961   3.616   2.753
   38   2HD1  ILE   5          1HD1      ILE   5  -0.058   4.126   1.322
   39   3HD1  ILE   5          2HD1      ILE   5  -1.283   2.858   1.172
   40    H    TYR   6           H        TYR   6   3.038  -0.396   1.085
   41    HA   TYR   6           HA       TYR   6   5.241   0.184   2.946
   42   1HB   TYR   6          1HB       TYR   6   5.056  -0.374  -0.040
   43   2HB   TYR   6          2HB       TYR   6   6.548   0.128   0.751
   44    HD1  TYR   6           HD2      TYR   6   3.907  -2.555   0.906
   45    HD2  TYR   6           HD1      TYR   6   7.936  -1.361   1.814
   46    HE1  TYR   6           HE2      TYR   6   4.432  -4.853   1.612
   47    HE2  TYR   6           HE1      TYR   6   8.512  -3.658   2.473
   48    HH   TYR   6           HH       TYR   6   5.934  -6.234   2.578
   49    H    THR   7           H        THR   7   6.166   2.161   3.285
   50    HA   THR   7           HA       THR   7   5.907   4.264   1.257
   51    HB   THR   7           HB       THR   7   5.384   5.902   3.101
   52    HG1  THR   7           HG1      THR   7   5.794   4.869   4.924
   53   1HG2  THR   7          3HG2      THR   7   3.541   5.008   1.570
   54   2HG2  THR   7          1HG2      THR   7   3.162   3.860   2.867
   55   3HG2  THR   7          2HG2      THR   7   3.004   5.603   3.154
   56    H    LYS   8           H        LYS   8   7.388   6.173   2.056
   57    HA   LYS   8           HA       LYS   8   9.461   5.370   3.907
   58   1HB   LYS   8          1HB       LYS   8  11.304   6.097   2.493
   59   2HB   LYS   8          2HB       LYS   8  10.465   4.727   1.771
   60   1HG   LYS   8          1HG       LYS   8   9.151   6.511   0.398
   61   2HG   LYS   8          2HG       LYS   8  10.392   7.653   0.902
   62   1HD   LYS   8          1HD       LYS   8  11.153   5.007  -0.363
   63   2HD   LYS   8          2HD       LYS   8  10.515   6.301  -1.342
   64   1HE   LYS   8          1HE       LYS   8  12.789   6.512  -1.601
   65   2HE   LYS   8          2HE       LYS   8  12.378   7.817  -0.481
   66   1HZ   LYS   8          1HZ       LYS   8  13.359   5.190   0.467
   67   2HZ   LYS   8          2HZ       LYS   8  14.388   6.349  -0.011
   68   3HZ   LYS   8          3HZ       LYS   8  13.406   6.664   1.241
   69    H    GLU   9           H        GLU   9  10.422   7.400   4.747
   70    HA   GLU   9           HA       GLU   9   8.602   9.594   4.793
   71   1HB   GLU   9          1HB       GLU   9  10.385   8.706   6.553
   72   2HB   GLU   9          2HB       GLU   9  11.521   9.718   5.667
   73   1HG   GLU   9          1HG       GLU   9  10.516  10.806   7.695
   74   2HG   GLU   9          2HG       GLU   9  10.217  11.710   6.206
   75    H    THR  10           H        THR  10   9.471  11.912   4.248
   76    HA   THR  10           HA       THR  10  10.035  13.420   2.841
   77    HB   THR  10           HB       THR  10  12.268  11.893   2.712
   78    HG1  THR  10           HG1      THR  10  13.156  13.684   1.773
   79   1HG2  THR  10          1HG2      THR  10  11.639  10.797   0.520
   80   2HG2  THR  10          2HG2      THR  10  11.574  12.413  -0.220
   81   3HG2  THR  10          3HG2      THR  10  13.085  11.777   0.454
   82    H    CYS  11           H        CYS  11   9.293  10.366   1.104
   83    HA   CYS  11           HA       CYS  11   8.474  11.713  -1.291
   84   1HB   CYS  11          1HB       CYS  11   8.008   8.885  -0.319
   85   2HB   CYS  11          2HB       CYS  11   7.576   9.483  -1.921
   86    HA   PRO  12           HA       PRO  12   4.508  12.875   0.529
   87   1HB   PRO  12          1HB       PRO  12   3.394  14.203  -1.597
   88   2HB   PRO  12          2HB       PRO  12   4.530  14.938  -0.428
   89   1HG   PRO  12          1HG       PRO  12   5.177  13.767  -3.154
   90   2HG   PRO  12          2HG       PRO  12   5.737  15.319  -2.445
   91   1HD   PRO  12          1HD       PRO  12   7.338  13.170  -2.354
   92   2HD   PRO  12          2HD       PRO  12   7.175  14.212  -0.926
   93    H    TYR  13           H        TYR  13   4.761  11.298  -2.727
   94    HA   TYR  13           HA       TYR  13   2.047  10.498  -3.001
   95   1HB   TYR  13          1HB       TYR  13   4.152  10.333  -4.571
   96   2HB   TYR  13          2HB       TYR  13   4.441   8.801  -3.770
   97    HD1  TYR  13           HD2      TYR  13   1.295  10.479  -5.089
   98    HD2  TYR  13           HD1      TYR  13   4.038   7.178  -5.428
   99    HE1  TYR  13           HE2      TYR  13  -0.240   9.387  -6.658
  100    HE2  TYR  13           HE1      TYR  13   2.442   6.016  -6.938
  101    HH   TYR  13           HH       TYR  13  -0.731   7.465  -7.799
  102    H    SER  14           H        SER  14   4.550   9.221  -0.819
  103    HA   SER  14           HA       SER  14   3.115   6.934   0.085
  104   1HB   SER  14          1HB       SER  14   5.095   6.656   0.968
  105   2HB   SER  14          2HB       SER  14   5.632   8.204   0.445
  106    HG   SER  14           HG       SER  14   5.692   8.797   2.412
  107    H    HIS  15           H        HIS  15   3.283  10.270   1.454
  108    HA   HIS  15           HA       HIS  15   1.321   9.502   3.482
  109   1HB   HIS  15          1HB       HIS  15   2.425  12.236   2.721
  110   2HB   HIS  15          2HB       HIS  15   1.348  11.923   4.082
  111    HD1  HIS  15           HD1      HIS  15   2.481   9.617   5.695
  112    HD2  HIS  15           HD2      HIS  15   4.858  12.498   3.681
  113    HE1  HIS  15           HE1      HIS  15   4.689   9.765   6.934
  114    HE2  HIS  15           HE2      HIS  15   6.146  11.451   5.734
  115    H    ARG  16           H        ARG  16   1.129  11.172   0.376
  116    HA   ARG  16           HA       ARG  16  -1.612  11.925   0.394
  117   1HB   ARG  16          1HB       ARG  16   0.249  10.880  -1.783
  118   2HB   ARG  16          2HB       ARG  16  -1.397  11.393  -2.059
  119   1HG   ARG  16          1HG       ARG  16  -0.894  13.679  -1.343
  120   2HG   ARG  16          2HG       ARG  16   0.796  13.234  -1.099
  121   1HD   ARG  16          1HD       ARG  16   0.479  14.295  -3.302
  122   2HD   ARG  16          2HD       ARG  16   0.987  12.613  -3.496
  123    HE   ARG  16           HE       ARG  16  -1.913  13.115  -3.495
  124   1HH1  ARG  16          2HH2      ARG  16   0.910  12.873  -5.712
  125   2HH1  ARG  16          1HH2      ARG  16  -0.132  12.651  -7.085
  126   1HH2  ARG  16          2HH1      ARG  16  -3.127  12.556  -5.252
  127   2HH2  ARG  16          1HH1      ARG  16  -2.428  12.328  -6.835
  128    H    ALA  17           H        ALA  17  -0.077   8.686  -0.319
  129    HA   ALA  17           HA       ALA  17  -2.564   7.423  -0.859
  130   1HB   ALA  17          1HB       ALA  17  -0.272   6.553  -1.439
  131   2HB   ALA  17          2HB       ALA  17  -0.039   6.144   0.260
  132   3HB   ALA  17          3HB       ALA  17  -1.329   5.346  -0.667
  133    H    LYS  18           H        LYS  18  -1.044   8.248   2.153
  134    HA   LYS  18           HA       LYS  18  -2.795   6.570   3.813
  135   1HB   LYS  18          1HB       LYS  18  -0.730   8.693   4.367
  136   2HB   LYS  18          2HB       LYS  18  -2.090   8.616   5.482
  137   1HG   LYS  18          1HG       LYS  18  -0.404   7.246   6.335
  138   2HG   LYS  18          2HG       LYS  18  -1.702   6.189   5.781
  139   1HD   LYS  18          1HD       LYS  18  -0.332   5.760   3.662
  140   2HD   LYS  18          2HD       LYS  18   0.972   6.704   4.366
  141   1HE   LYS  18          1HE       LYS  18  -0.317   4.167   5.500
  142   2HE   LYS  18          2HE       LYS  18   1.333   4.303   4.866
  143   1HZ   LYS  18          2HZ       LYS  18   0.451   5.845   7.247
  144   2HZ   LYS  18          3HZ       LYS  18   1.094   4.355   7.386
  145   3HZ   LYS  18          1HZ       LYS  18   1.969   5.552   6.757
  146    H    ALA  19           H        ALA  19  -2.817  10.045   2.777
  147    HA   ALA  19           HA       ALA  19  -5.244  10.692   4.037
  148   1HB   ALA  19          1HB       ALA  19  -3.704  12.317   2.865
  149   2HB   ALA  19          2HB       ALA  19  -4.297  11.705   1.307
  150   3HB   ALA  19          3HB       ALA  19  -5.405  12.525   2.416
  151    H    LEU  20           H        LEU  20  -4.799   8.663   1.230
  152    HA   LEU  20           HA       LEU  20  -7.674   8.573   0.685
  153   1HB   LEU  20          1HB       LEU  20  -6.006   8.212  -1.084
  154   2HB   LEU  20          2HB       LEU  20  -5.327   6.824  -0.269
  155    HG   LEU  20           HG       LEU  20  -6.780   6.468  -2.305
  156   1HD1  LEU  20          3HD1      LEU  20  -6.197   4.571  -0.860
  157   2HD1  LEU  20          1HD1      LEU  20  -7.709   4.819   0.054
  158   3HD1  LEU  20          2HD1      LEU  20  -7.763   4.402  -1.662
  159   1HD2  LEU  20          1HD2      LEU  20  -8.601   8.032  -1.623
  160   2HD2  LEU  20          2HD2      LEU  20  -9.180   6.406  -2.060
  161   3HD2  LEU  20          3HD2      LEU  20  -9.059   6.888  -0.355
  162    H    LEU  21           H        LEU  21  -5.448   5.992   1.876
  163    HA   LEU  21           HA       LEU  21  -7.558   4.265   2.599
  164   1HB   LEU  21          1HB       LEU  21  -4.676   4.592   3.426
  165   2HB   LEU  21          2HB       LEU  21  -5.674   3.473   4.324
  166    HG   LEU  21           HG       LEU  21  -5.957   3.198   1.371
  167   1HD1  LEU  21          1HD1      LEU  21  -3.346   2.549   2.760
  168   2HD1  LEU  21          2HD1      LEU  21  -3.824   1.978   1.143
  169   3HD1  LEU  21          3HD1      LEU  21  -3.616   3.710   1.432
  170   1HD2  LEU  21          3HD2      LEU  21  -5.455   1.219   3.641
  171   2HD2  LEU  21          1HD2      LEU  21  -7.032   1.639   2.939
  172   3HD2  LEU  21          2HD2      LEU  21  -5.827   0.786   1.964
  173    H    SER  22           H        SER  22  -6.100   6.845   4.506
  174    HA   SER  22           HA       SER  22  -7.442   6.218   6.957
  175   1HB   SER  22          1HB       SER  22  -5.274   7.532   6.631
  176   2HB   SER  22          2HB       SER  22  -6.216   8.824   5.879
  177    HG   SER  22           HG       SER  22  -5.868   9.456   7.855
  178    H    SER  23           H        SER  23  -8.204   8.514   4.135
  179    HA   SER  23           HA       SER  23 -10.552   9.512   5.508
  180   1HB   SER  23          1HB       SER  23  -9.496  10.706   3.672
  181   2HB   SER  23          2HB       SER  23  -9.828   9.363   2.561
  182    HG   SER  23           HG       SER  23 -11.376  11.433   3.222
  183    H    LYS  24           H        LYS  24  -9.867   6.712   3.405
  184    HA   LYS  24           HA       LYS  24 -12.627   5.805   3.274
  185   1HB   LYS  24          1HB       LYS  24  -9.998   4.357   2.754
  186   2HB   LYS  24          2HB       LYS  24 -11.590   3.751   2.293
  187   1HG   LYS  24          1HG       LYS  24 -10.451   6.380   1.255
  188   2HG   LYS  24          2HG       LYS  24 -10.218   4.826   0.448
  189   1HD   LYS  24          1HD       LYS  24 -12.588   4.613   0.091
  190   2HD   LYS  24          2HD       LYS  24 -12.936   6.069   1.023
  191   1HE   LYS  24          1HE       LYS  24 -11.810   7.478  -0.577
  192   2HE   LYS  24          2HE       LYS  24 -11.170   6.062  -1.438
  193   1HZ   LYS  24          1HZ       LYS  24 -14.038   6.743  -1.286
  194   2HZ   LYS  24          2HZ       LYS  24 -13.064   6.975  -2.591
  195   3HZ   LYS  24          3HZ       LYS  24 -13.344   5.452  -2.048
  196    H    GLY  25           H        GLY  25 -10.559   5.927   5.913
  197   1HA   GLY  25          1HA       GLY  25 -10.736   5.090   7.998
  198   2HA   GLY  25          2HA       GLY  25 -12.387   4.631   7.540
  199    H    VAL  26           H        VAL  26  -9.218   3.413   6.303
  200    HA   VAL  26           HA       VAL  26 -10.177   0.663   7.057
  201    HB   VAL  26           HB       VAL  26  -7.919   1.125   5.153
  202   1HG1  VAL  26          3HG1      VAL  26  -8.393  -1.155   5.969
  203   2HG1  VAL  26          1HG1      VAL  26 -10.047  -1.038   5.323
  204   3HG1  VAL  26          2HG1      VAL  26  -8.647  -1.018   4.230
  205   1HG2  VAL  26          3HG2      VAL  26 -10.869   1.191   4.353
  206   2HG2  VAL  26          1HG2      VAL  26  -9.679   2.487   4.105
  207   3HG2  VAL  26          2HG2      VAL  26  -9.529   0.972   3.214
  208    H    SER  27           H        SER  27  -8.805  -0.620   8.270
  209    HA   SER  27           HA       SER  27  -6.611   0.658   9.756
  210   1HB   SER  27          1HB       SER  27  -7.688  -2.196   9.665
  211   2HB   SER  27          2HB       SER  27  -6.373  -1.650  10.729
  212    HG   SER  27           HG       SER  27  -7.808  -0.170  11.657
  213    H    PHE  28           H        PHE  28  -4.481   0.573   9.090
  214    HA   PHE  28           HA       PHE  28  -3.668  -1.424   7.077
  215   1HB   PHE  28          1HB       PHE  28  -2.472   0.340   5.790
  216   2HB   PHE  28          2HB       PHE  28  -4.213   0.403   5.670
  217    HD1  PHE  28           HD2      PHE  28  -1.281   2.075   7.356
  218    HD2  PHE  28           HD1      PHE  28  -5.442   2.319   6.285
  219    HE1  PHE  28           HE2      PHE  28  -1.360   4.443   8.108
  220    HE2  PHE  28           HE1      PHE  28  -5.519   4.668   7.057
  221    HZ   PHE  28           HZ       PHE  28  -3.460   5.745   7.965
  222    H    GLN  29           H        GLN  29  -1.441  -1.742   6.963
  223    HA   GLN  29           HA       GLN  29   0.054  -1.220   9.423
  224   1HB   GLN  29          1HB       GLN  29  -0.514  -3.617   9.101
  225   2HB   GLN  29          2HB       GLN  29  -0.014  -3.553   7.444
  226   1HG   GLN  29          1HG       GLN  29   1.663  -4.688   8.740
  227   2HG   GLN  29          2HG       GLN  29   2.330  -3.226   8.061
  228   1HE2  GLN  29          2HE2      GLN  29   3.558  -3.592  11.574
  229   2HE2  GLN  29          1HE2      GLN  29   3.456  -4.686  10.200
  230    H    GLU  30           H        GLU  30   1.121   0.547   8.790
  231    HA   GLU  30           HA       GLU  30   2.309   0.851   6.168
  232   1HB   GLU  30          1HB       GLU  30   2.072   2.668   8.038
  233   2HB   GLU  30          2HB       GLU  30   3.645   2.008   8.575
  234   1HG   GLU  30          1HG       GLU  30   4.496   2.398   6.220
  235   2HG   GLU  30          2HG       GLU  30   2.979   3.239   5.892
  236    H    LEU  31           H        LEU  31   4.357   0.367   5.468
  237    HA   LEU  31           HA       LEU  31   6.276  -1.094   7.211
  238   1HB   LEU  31          1HB       LEU  31   5.807  -1.451   4.222
  239   2HB   LEU  31          2HB       LEU  31   7.200  -2.035   5.106
  240    HG   LEU  31           HG       LEU  31   5.815  -3.817   4.752
  241   1HD1  LEU  31          3HD1      LEU  31   6.761  -3.636   7.095
  242   2HD1  LEU  31          1HD1      LEU  31   5.154  -3.124   7.632
  243   3HD1  LEU  31          2HD1      LEU  31   5.365  -4.729   6.907
  244   1HD2  LEU  31          1HD2      LEU  31   3.717  -2.638   4.254
  245   2HD2  LEU  31          2HD2      LEU  31   3.537  -4.087   5.268
  246   3HD2  LEU  31          3HD2      LEU  31   3.428  -2.489   6.003
  247    HA   PRO  32           HA       PRO  32   7.998   2.965   5.859
  248   1HB   PRO  32          1HB       PRO  32   9.668   3.272   8.048
  249   2HB   PRO  32          2HB       PRO  32   8.021   3.894   7.950
  250   1HG   PRO  32          1HG       PRO  32   9.013   1.338   9.236
  251   2HG   PRO  32          2HG       PRO  32   7.810   2.498   9.872
  252   1HD   PRO  32          1HD       PRO  32   7.097   0.161   8.663
  253   2HD   PRO  32          2HD       PRO  32   6.121   1.645   8.461
  254    H    ILE  33           H        ILE  33   9.148   2.112   4.197
  255    HA   ILE  33           HA       ILE  33  11.577   0.471   4.706
  256    HB   ILE  33           HB       ILE  33  11.792   0.595   2.208
  257   1HG1  ILE  33          1HG1      ILE  33   8.845   1.140   1.972
  258   2HG1  ILE  33          2HG1      ILE  33   9.935   2.495   2.142
  259   1HG2  ILE  33          3HG2      ILE  33   9.417  -0.771   3.478
  260   2HG2  ILE  33          1HG2      ILE  33  10.162  -1.210   1.911
  261   3HG2  ILE  33          2HG2      ILE  33  11.095  -1.357   3.415
  262   1HD1  ILE  33          3HD1      ILE  33  11.318   1.539   0.220
  263   2HD1  ILE  33          1HD1      ILE  33   9.886   0.514  -0.102
  264   3HD1  ILE  33          2HD1      ILE  33   9.787   2.290  -0.145
  265    H    ASP  34           H        ASP  34  11.201   3.449   5.610
  266    HA   ASP  34           HA       ASP  34  12.961   4.816   3.780
  267   1HB   ASP  34          1HB       ASP  34  11.506   6.189   5.136
  268   2HB   ASP  34          2HB       ASP  34  12.180   5.544   6.629
  269    H    GLY  35           H        GLY  35  13.501   3.756   7.191
  270   1HA   GLY  35          1HA       GLY  35  16.414   3.632   6.758
  271   2HA   GLY  35          2HA       GLY  35  15.530   3.531   8.289
  272    H    ASN  36           H        ASN  36  14.956   1.672   5.278
  273    HA   ASN  36           HA       ASN  36  16.036  -0.801   6.399
  274   1HB   ASN  36          1HB       ASN  36  13.918  -0.898   7.488
  275   2HB   ASN  36          2HB       ASN  36  13.057  -0.333   6.056
  276   1HD2  ASN  36          2HD2      ASN  36  12.381  -3.706   5.344
  277   2HD2  ASN  36          1HD2      ASN  36  11.771  -2.094   5.492
  278    H    ALA  37           H        ALA  37  16.875  -1.942   4.718
  279    HA   ALA  37           HA       ALA  37  15.691  -1.539   2.023
  280   1HB   ALA  37          3HB       ALA  37  18.017  -0.812   2.188
  281   2HB   ALA  37          1HB       ALA  37  18.497  -2.429   2.761
  282   3HB   ALA  37          2HB       ALA  37  17.845  -2.218   1.125
  283    H    ALA  38           H        ALA  38  16.112  -3.855   4.569
  284    HA   ALA  38           HA       ALA  38  16.315  -6.211   2.973
  285   1HB   ALA  38          3HB       ALA  38  15.314  -5.826   5.831
  286   2HB   ALA  38          1HB       ALA  38  15.610  -7.397   5.069
  287   3HB   ALA  38          2HB       ALA  38  16.950  -6.264   5.312
  288    H    LYS  39           H        LYS  39  13.406  -5.202   4.834
  289    HA   LYS  39           HA       LYS  39  11.709  -6.850   3.164
  290   1HB   LYS  39          1HB       LYS  39  11.180  -6.281   5.481
  291   2HB   LYS  39          2HB       LYS  39  10.897  -4.597   5.064
  292   1HG   LYS  39          1HG       LYS  39   8.842  -4.962   4.257
  293   2HG   LYS  39          2HG       LYS  39   9.292  -6.469   3.462
  294   1HD   LYS  39          1HD       LYS  39   7.605  -6.859   5.130
  295   2HD   LYS  39          2HD       LYS  39   9.100  -7.696   5.558
  296   1HE   LYS  39          1HE       LYS  39   9.604  -5.983   7.252
  297   2HE   LYS  39          2HE       LYS  39   8.179  -5.048   6.764
  298   1HZ   LYS  39          2HZ       LYS  39   6.817  -6.986   7.427
  299   2HZ   LYS  39          3HZ       LYS  39   8.165  -7.764   7.940
  300   3HZ   LYS  39          1HZ       LYS  39   7.685  -6.408   8.704
  301    H    ARG  40           H        ARG  40  12.811  -3.577   2.755
  302    HA   ARG  40           HA       ARG  40  11.084  -2.786   0.633
  303   1HB   ARG  40          1HB       ARG  40  12.994  -1.448   1.744
  304   2HB   ARG  40          2HB       ARG  40  14.099  -2.284   0.667
  305   1HG   ARG  40          1HG       ARG  40  11.733  -0.701  -0.307
  306   2HG   ARG  40          2HG       ARG  40  13.302   0.036   0.012
  307   1HD   ARG  40          1HD       ARG  40  12.668  -2.031  -2.133
  308   2HD   ARG  40          2HD       ARG  40  12.947  -0.319  -2.355
  309    HE   ARG  40           HE       ARG  40  15.075  -2.110  -1.234
  310   1HH1  ARG  40          2HH2      ARG  40  14.181   0.404  -3.695
  311   2HH1  ARG  40          1HH2      ARG  40  15.786   0.408  -4.322
  312   1HH2  ARG  40          2HH1      ARG  40  17.168  -1.996  -2.217
  313   2HH2  ARG  40          1HH1      ARG  40  17.373  -0.924  -3.576
  314    H    GLU  41           H        GLU  41  14.154  -4.694   0.473
  315    HA   GLU  41           HA       GLU  41  14.017  -5.013  -2.326
  316   1HB   GLU  41          1HB       GLU  41  15.995  -5.079  -0.802
  317   2HB   GLU  41          2HB       GLU  41  15.497  -6.685  -0.262
  318   1HG   GLU  41          1HG       GLU  41  15.841  -7.566  -2.526
  319   2HG   GLU  41          2HG       GLU  41  16.091  -5.925  -3.160
  320    H    GLU  42           H        GLU  42  12.704  -7.004   0.362
  321    HA   GLU  42           HA       GLU  42  11.996  -9.231  -1.325
  322   1HB   GLU  42          1HB       GLU  42  12.097  -9.257   1.212
  323   2HB   GLU  42          2HB       GLU  42  10.694  -8.214   1.240
  324   1HG   GLU  42          1HG       GLU  42  10.007 -10.475   1.657
  325   2HG   GLU  42          2HG       GLU  42   9.324  -9.941   0.138
  326    H    MET  43           H        MET  43  10.275  -6.260  -0.338
  327    HA   MET  43           HA       MET  43   7.783  -6.801  -1.455
  328   1HB   MET  43          1HB       MET  43   8.519  -4.912   0.054
  329   2HB   MET  43          2HB       MET  43   9.164  -4.081  -1.350
  330   1HG   MET  43          1HG       MET  43   6.274  -4.879  -0.908
  331   2HG   MET  43          2HG       MET  43   6.964  -3.292  -0.603
  332   1HE   MET  43          2HE       MET  43   8.046  -1.716  -2.542
  333   2HE   MET  43          3HE       MET  43   8.885  -3.043  -3.385
  334   3HE   MET  43          1HE       MET  43   7.761  -2.007  -4.272
  335    H    ILE  44           H        ILE  44  10.753  -5.706  -3.143
  336    HA   ILE  44           HA       ILE  44   9.646  -5.000  -5.632
  337    HB   ILE  44           HB       ILE  44  12.234  -6.493  -5.097
  338   1HG1  ILE  44          1HG1      ILE  44  11.807  -3.486  -5.103
  339   2HG1  ILE  44          2HG1      ILE  44  12.158  -4.489  -3.710
  340   1HG2  ILE  44          2HG2      ILE  44  11.561  -6.449  -7.496
  341   2HG2  ILE  44          3HG2      ILE  44  11.425  -4.683  -7.420
  342   3HG2  ILE  44          1HG2      ILE  44  13.000  -5.488  -7.240
  343   1HD1  ILE  44          2HD1      ILE  44  14.347  -5.138  -4.733
  344   2HD1  ILE  44          3HD1      ILE  44  14.054  -3.929  -6.001
  345   3HD1  ILE  44          1HD1      ILE  44  14.188  -3.418  -4.317
  346    H    LYS  45           H        LYS  45  10.801  -8.177  -4.446
  347    HA   LYS  45           HA       LYS  45   9.860  -9.563  -6.802
  348   1HB   LYS  45          1HB       LYS  45  11.899 -10.023  -5.159
  349   2HB   LYS  45          2HB       LYS  45  10.710 -10.962  -4.251
  350   1HG   LYS  45          1HG       LYS  45  10.289 -12.367  -6.210
  351   2HG   LYS  45          2HG       LYS  45  11.244 -11.298  -7.250
  352   1HD   LYS  45          1HD       LYS  45  13.276 -11.859  -5.952
  353   2HD   LYS  45          2HD       LYS  45  12.297 -12.932  -4.923
  354   1HE   LYS  45          1HE       LYS  45  11.674 -14.276  -6.921
  355   2HE   LYS  45          2HE       LYS  45  12.640 -13.189  -7.936
  356   1HZ   LYS  45          1HZ       LYS  45  14.582 -13.845  -6.701
  357   2HZ   LYS  45          2HZ       LYS  45  13.724 -14.901  -5.785
  358   3HZ   LYS  45          3HZ       LYS  45  13.883 -15.139  -7.418
  359    H    ARG  46           H        ARG  46   8.130  -8.397  -4.167
  360    HA   ARG  46           HA       ARG  46   6.068 -10.533  -4.579
  361   1HB   ARG  46          1HB       ARG  46   6.021  -8.428  -2.406
  362   2HB   ARG  46          2HB       ARG  46   4.942  -9.812  -2.625
  363   1HG   ARG  46          1HG       ARG  46   7.306 -11.147  -2.557
  364   2HG   ARG  46          2HG       ARG  46   7.757  -9.707  -1.640
  365   1HD   ARG  46          1HD       ARG  46   7.130 -11.324  -0.068
  366   2HD   ARG  46          2HD       ARG  46   5.784 -10.169  -0.112
  367    HE   ARG  46           HE       ARG  46   4.996 -12.050  -1.930
  368   1HH1  ARG  46          2HH2      ARG  46   6.340 -12.517   1.354
  369   2HH1  ARG  46          1HH2      ARG  46   5.357 -13.915   1.654
  370   1HH2  ARG  46          2HH1      ARG  46   3.758 -14.003  -1.464
  371   2HH2  ARG  46          1HH1      ARG  46   3.791 -14.617   0.144
  372    H    SER  47           H        SER  47   6.850  -7.416  -5.765
  373    HA   SER  47           HA       SER  47   3.958  -6.884  -6.359
  374   1HB   SER  47          1HB       SER  47   4.641  -4.502  -6.356
  375   2HB   SER  47          2HB       SER  47   4.888  -5.272  -4.778
  376    HG   SER  47           HG       SER  47   7.036  -5.263  -5.100
  377    H    GLY  48           H        GLY  48   7.252  -6.982  -7.712
  378   1HA   GLY  48          1HA       GLY  48   7.908  -6.971  -9.921
  379   2HA   GLY  48          2HA       GLY  48   6.251  -6.643 -10.453
  380    H    ARG  49           H        ARG  49   7.309  -4.536  -7.835
  381    HA   ARG  49           HA       ARG  49   8.279  -2.464  -9.726
  382   1HB   ARG  49          1HB       ARG  49   6.081  -2.143  -7.638
  383   2HB   ARG  49          2HB       ARG  49   7.073  -0.806  -8.237
  384   1HG   ARG  49          1HG       ARG  49   6.344  -1.309 -10.563
  385   2HG   ARG  49          2HG       ARG  49   5.216  -2.527  -9.937
  386   1HD   ARG  49          1HD       ARG  49   3.919  -0.905  -8.802
  387   2HD   ARG  49          2HD       ARG  49   5.207   0.303  -8.831
  388    HE   ARG  49           HE       ARG  49   3.298  -0.329 -10.964
  389   1HH1  ARG  49          2HH2      ARG  49   6.224   1.587 -10.084
  390   2HH1  ARG  49          1HH2      ARG  49   6.005   2.667 -11.395
  391   1HH2  ARG  49          2HH1      ARG  49   3.081   1.056 -12.607
  392   2HH2  ARG  49          1HH1      ARG  49   4.138   2.403 -12.888
  393    H    THR  50           H        THR  50   9.933  -1.248  -8.880
  394    HA   THR  50           HA       THR  50  10.915  -2.005  -6.196
  395    HB   THR  50           HB       THR  50  11.996  -0.560  -8.573
  396    HG1  THR  50           HG1      THR  50  12.273  -2.740  -8.392
  397   1HG2  THR  50          2HG2      THR  50  13.270  -0.562  -5.801
  398   2HG2  THR  50          3HG2      THR  50  14.104  -0.118  -7.303
  399   3HG2  THR  50          1HG2      THR  50  12.772   0.873  -6.715
  400    H    THR  51           H        THR  51   8.918   0.449  -7.752
  401    HA   THR  51           HA       THR  51   9.672   2.535  -5.946
  402    HB   THR  51           HB       THR  51   7.961   3.773  -7.209
  403    HG1  THR  51           HG1      THR  51   6.493   2.371  -7.839
  404   1HG2  THR  51          1HG2      THR  51  10.289   3.629  -8.124
  405   2HG2  THR  51          2HG2      THR  51   9.840   2.185  -9.048
  406   3HG2  THR  51          3HG2      THR  51   9.084   3.743  -9.410
  407    H    VAL  52           H        VAL  52   8.580   3.387  -4.330
  408    HA   VAL  52           HA       VAL  52   6.109   2.029  -3.322
  409    HB   VAL  52           HB       VAL  52   6.402   3.953  -1.470
  410   1HG1  VAL  52          3HG1      VAL  52   6.333   1.550  -1.133
  411   2HG1  VAL  52          1HG1      VAL  52   8.063   1.449  -1.549
  412   3HG1  VAL  52          2HG1      VAL  52   7.518   2.365  -0.104
  413   1HG2  VAL  52          1HG2      VAL  52   8.343   5.034  -2.501
  414   2HG2  VAL  52          2HG2      VAL  52   8.603   4.461  -0.847
  415   3HG2  VAL  52          3HG2      VAL  52   9.293   3.544  -2.198
  416    HA   PRO  53           HA       PRO  53   4.582   2.979  -1.543
  417   1HB   PRO  53          1HB       PRO  53   1.951   3.402  -1.263
  418   2HB   PRO  53          2HB       PRO  53   3.127   4.704  -0.891
  419   1HG   PRO  53          1HG       PRO  53   1.530   4.295  -3.433
  420   2HG   PRO  53          2HG       PRO  53   1.752   5.812  -2.492
  421   1HD   PRO  53          1HD       PRO  53   3.240   5.114  -4.718
  422   2HD   PRO  53          2HD       PRO  53   3.862   6.164  -3.402
  423    H    GLN  54           H        GLN  54   3.333   0.950  -1.288
  424    HA   GLN  54           HA       GLN  54   2.018  -0.128  -3.683
  425   1HB   GLN  54          1HB       GLN  54   4.316  -1.517  -2.210
  426   2HB   GLN  54          2HB       GLN  54   3.228  -2.315  -3.336
  427   1HG   GLN  54          1HG       GLN  54   5.176  -0.076  -3.978
  428   2HG   GLN  54          2HG       GLN  54   5.347  -1.763  -4.445
  429   1HE2  GLN  54          2HE2      GLN  54   3.683   0.583  -7.098
  430   2HE2  GLN  54          1HE2      GLN  54   5.104   0.769  -6.051
  431    H    ILE  55           H        ILE  55   0.219  -1.581  -2.970
  432    HA   ILE  55           HA       ILE  55   0.036  -1.791  -0.048
  433    HB   ILE  55           HB       ILE  55  -2.147  -1.195  -2.092
  434   1HG1  ILE  55          1HG1      ILE  55  -2.359   0.789  -0.247
  435   2HG1  ILE  55          2HG1      ILE  55  -0.646   0.485  -0.078
  436   1HG2  ILE  55          1HG2      ILE  55  -2.944  -2.716  -0.256
  437   2HG2  ILE  55          2HG2      ILE  55  -2.419  -1.512   0.931
  438   3HG2  ILE  55          3HG2      ILE  55  -3.712  -1.143  -0.218
  439   1HD1  ILE  55          2HD1      ILE  55  -2.101   1.227  -2.656
  440   2HD1  ILE  55          3HD1      ILE  55  -1.140   2.323  -1.649
  441   3HD1  ILE  55          1HD1      ILE  55  -0.347   1.003  -2.517
  442    H    PHE  56           H        PHE  56  -0.788  -3.745   0.643
  443    HA   PHE  56           HA       PHE  56  -1.371  -5.855  -1.324
  444   1HB   PHE  56          1HB       PHE  56   0.419  -6.178   1.132
  445   2HB   PHE  56          2HB       PHE  56  -0.257  -7.498   0.204
  446    HD1  PHE  56           HD1      PHE  56   2.054  -4.534  -0.098
  447    HD2  PHE  56           HD2      PHE  56   0.939  -8.424  -1.600
  448    HE1  PHE  56           HE1      PHE  56   4.048  -4.540  -1.570
  449    HE2  PHE  56           HE2      PHE  56   2.940  -8.447  -3.022
  450    HZ   PHE  56           HZ       PHE  56   4.491  -6.499  -3.066
  451    H    ILE  57           H        ILE  57  -3.132  -7.143  -0.510
  452    HA   ILE  57           HA       ILE  57  -3.964  -6.654   2.284
  453    HB   ILE  57           HB       ILE  57  -5.903  -6.711  -0.074
  454   1HG1  ILE  57          1HG1      ILE  57  -5.306  -4.433   1.858
  455   2HG1  ILE  57          2HG1      ILE  57  -4.694  -4.485   0.231
  456   1HG2  ILE  57          1HG2      ILE  57  -6.298  -6.538   2.960
  457   2HG2  ILE  57          2HG2      ILE  57  -7.597  -6.311   1.777
  458   3HG2  ILE  57          3HG2      ILE  57  -6.791  -7.865   1.893
  459   1HD1  ILE  57          2HD1      ILE  57  -7.052  -4.536  -0.644
  460   2HD1  ILE  57          3HD1      ILE  57  -7.609  -4.233   1.022
  461   3HD1  ILE  57          1HD1      ILE  57  -6.579  -3.049   0.205
  462    H    ASP  58           H        ASP  58  -4.108  -8.618   3.231
  463    HA   ASP  58           HA       ASP  58  -3.814 -10.866   3.515
  464   1HB   ASP  58          1HB       ASP  58  -5.960 -10.717   1.405
  465   2HB   ASP  58          2HB       ASP  58  -5.626 -12.152   2.364
  466    H    ALA  59           H        ALA  59  -1.905  -9.815   1.850
  467    HA   ALA  59           HA       ALA  59  -0.093 -10.336   0.663
  468   1HB   ALA  59          2HB       ALA  59  -0.180 -12.580   1.724
  469   2HB   ALA  59          3HB       ALA  59  -1.099 -13.177   0.318
  470   3HB   ALA  59          1HB       ALA  59   0.550 -12.574   0.111
  471    H    GLN  60           H        GLN  60  -3.163 -10.274  -0.744
  472    HA   GLN  60           HA       GLN  60  -2.306 -10.630  -3.528
  473   1HB   GLN  60          1HB       GLN  60  -4.856  -9.829  -2.133
  474   2HB   GLN  60          2HB       GLN  60  -4.598  -9.319  -3.796
  475   1HG   GLN  60          1HG       GLN  60  -4.354 -11.558  -4.580
  476   2HG   GLN  60          2HG       GLN  60  -4.207 -12.206  -2.951
  477   1HE2  GLN  60          2HE2      GLN  60  -7.735 -12.393  -2.404
  478   2HE2  GLN  60          1HE2      GLN  60  -6.112 -12.701  -1.784
  479    H    HIS  61           H        HIS  61  -0.955  -9.218  -4.385
  480    HA   HIS  61           HA       HIS  61  -0.450  -6.555  -3.346
  481   1HB   HIS  61          1HB       HIS  61   1.218  -7.930  -4.672
  482   2HB   HIS  61          2HB       HIS  61   0.179  -7.763  -6.085
  483    HD1  HIS  61           HD1      HIS  61   1.163  -5.923  -7.659
  484    HD2  HIS  61           HD2      HIS  61   1.451  -5.075  -3.507
  485    HE1  HIS  61           HE1      HIS  61   2.411  -3.660  -7.397
  486    HE2  HIS  61           HE2      HIS  61   2.391  -3.058  -5.007
  487    H    ILE  62           H        ILE  62  -1.550  -4.624  -3.882
  488    HA   ILE  62           HA       ILE  62  -3.832  -4.862  -5.725
  489    HB   ILE  62           HB       ILE  62  -2.874  -2.344  -4.333
  490   1HG1  ILE  62          1HG1      ILE  62  -2.878  -3.723  -2.510
  491   2HG1  ILE  62          2HG1      ILE  62  -4.348  -2.790  -2.428
  492   1HG2  ILE  62          3HG2      ILE  62  -4.666  -2.166  -6.051
  493   2HG2  ILE  62          1HG2      ILE  62  -5.653  -3.309  -5.125
  494   3HG2  ILE  62          2HG2      ILE  62  -5.242  -1.723  -4.444
  495   1HD1  ILE  62          1HD1      ILE  62  -4.362  -5.662  -3.477
  496   2HD1  ILE  62          2HD1      ILE  62  -4.678  -5.222  -1.811
  497   3HD1  ILE  62          3HD1      ILE  62  -5.755  -4.635  -3.087
  498    H    GLY  63           H        GLY  63  -1.015  -2.755  -5.229
  499   1HA   GLY  63          1HA       GLY  63   0.372  -2.437  -7.475
  500   2HA   GLY  63          2HA       GLY  63  -1.144  -1.569  -7.841
  501    H    GLY  64           H        GLY  64  -0.207   0.502  -7.601
  502   1HA   GLY  64          1HA       GLY  64   0.888   1.321  -4.987
  503   2HA   GLY  64          2HA       GLY  64   0.901   2.243  -6.497
  504    H    TYR  65           H        TYR  65   0.088   3.934  -5.314
  505    HA   TYR  65           HA       TYR  65  -2.264   3.991  -3.697
  506   1HB   TYR  65          1HB       TYR  65  -0.393   5.490  -3.353
  507   2HB   TYR  65          2HB       TYR  65  -0.420   5.977  -5.024
  508    HD1  TYR  65           HD2      TYR  65  -3.777   6.114  -3.361
  509    HD2  TYR  65           HD1      TYR  65   0.006   8.065  -4.033
  510    HE1  TYR  65           HE2      TYR  65  -4.807   8.300  -2.891
  511    HE2  TYR  65           HE1      TYR  65  -1.035  10.237  -3.766
  512    HH   TYR  65           HH       TYR  65  -4.365  10.729  -2.593
  513    H    ASP  66           H        ASP  66  -1.699   5.497  -7.005
  514    HA   ASP  66           HA       ASP  66  -4.478   6.133  -7.290
  515   1HB   ASP  66          1HB       ASP  66  -2.177   5.936  -9.231
  516   2HB   ASP  66          2HB       ASP  66  -3.835   6.157  -9.806
  517    H    ASP  67           H        ASP  67  -2.684   3.177  -7.844
  518    HA   ASP  67           HA       ASP  67  -4.714   1.796  -9.377
  519   1HB   ASP  67          1HB       ASP  67  -2.645   0.590  -7.515
  520   2HB   ASP  67          2HB       ASP  67  -3.611  -0.269  -8.692
  521    H    LEU  68           H        LEU  68  -3.899   1.964  -5.828
  522    HA   LEU  68           HA       LEU  68  -6.131   0.370  -5.060
  523   1HB   LEU  68          1HB       LEU  68  -4.235   0.774  -3.542
  524   2HB   LEU  68          2HB       LEU  68  -4.658   2.484  -3.442
  525    HG   LEU  68           HG       LEU  68  -6.903   1.854  -2.448
  526   1HD1  LEU  68          2HD1      LEU  68  -5.702  -0.948  -2.327
  527   2HD1  LEU  68          3HD1      LEU  68  -7.178  -0.414  -1.519
  528   3HD1  LEU  68          1HD1      LEU  68  -7.135  -0.469  -3.274
  529   1HD2  LEU  68          3HD2      LEU  68  -5.049   2.497  -1.018
  530   2HD2  LEU  68          1HD2      LEU  68  -6.146   1.325  -0.270
  531   3HD2  LEU  68          2HD2      LEU  68  -4.568   0.788  -0.891
  532    H    TYR  69           H        TYR  69  -5.794   3.867  -5.272
  533    HA   TYR  69           HA       TYR  69  -8.233   4.781  -4.190
  534   1HB   TYR  69          1HB       TYR  69  -6.318   6.196  -5.027
  535   2HB   TYR  69          2HB       TYR  69  -6.693   5.759  -6.675
  536    HD1  TYR  69           HD2      TYR  69  -7.858   7.709  -3.753
  537    HD2  TYR  69           HD1      TYR  69  -8.349   6.967  -7.959
  538    HE1  TYR  69           HE2      TYR  69  -9.335   9.679  -3.902
  539    HE2  TYR  69           HE1      TYR  69  -9.754   8.991  -8.150
  540    HH   TYR  69           HH       TYR  69 -10.770  10.777  -7.006
  541    H    ALA  70           H        ALA  70  -7.628   3.775  -7.599
  542    HA   ALA  70           HA       ALA  70 -10.417   4.045  -8.357
  543   1HB   ALA  70          2HB       ALA  70  -8.552   4.075 -10.000
  544   2HB   ALA  70          3HB       ALA  70  -8.203   2.372  -9.608
  545   3HB   ALA  70          1HB       ALA  70  -9.750   2.815 -10.358
  546    H    LEU  71           H        LEU  71  -8.383   1.357  -7.169
  547    HA   LEU  71           HA       LEU  71 -10.334  -0.696  -7.568
  548   1HB   LEU  71          1HB       LEU  71  -7.752  -0.793  -7.065
  549   2HB   LEU  71          2HB       LEU  71  -8.232  -0.784  -5.385
  550    HG   LEU  71           HG       LEU  71  -7.742  -2.988  -6.194
  551   1HD1  LEU  71          2HD1      LEU  71  -9.448  -2.764  -4.491
  552   2HD1  LEU  71          3HD1      LEU  71 -10.671  -2.915  -5.790
  553   3HD1  LEU  71          1HD1      LEU  71  -9.549  -4.251  -5.452
  554   1HD2  LEU  71          3HD2      LEU  71  -8.338  -2.653  -8.608
  555   2HD2  LEU  71          1HD2      LEU  71  -8.922  -4.170  -7.914
  556   3HD2  LEU  71          2HD2      LEU  71 -10.048  -2.823  -8.166
  557    H    ASP  72           H        ASP  72  -9.711   1.526  -4.831
  558    HA   ASP  72           HA       ASP  72 -11.708   0.511  -3.036
  559   1HB   ASP  72          1HB       ASP  72 -10.049   2.211  -2.285
  560   2HB   ASP  72          2HB       ASP  72 -10.691   3.358  -3.437
  561    H    ALA  73           H        ALA  73 -11.728   3.190  -5.399
  562    HA   ALA  73           HA       ALA  73 -14.413   3.835  -5.060
  563   1HB   ALA  73          3HB       ALA  73 -12.617   5.198  -6.176
  564   2HB   ALA  73          1HB       ALA  73 -12.822   4.198  -7.628
  565   3HB   ALA  73          2HB       ALA  73 -14.169   5.199  -7.047
  566    H    ARG  74           H        ARG  74 -13.085   1.400  -7.149
  567    HA   ARG  74           HA       ARG  74 -15.562   0.798  -8.531
  568   1HB   ARG  74          1HB       ARG  74 -14.324  -0.675  -9.730
  569   2HB   ARG  74          2HB       ARG  74 -12.999   0.219  -9.074
  570   1HG   ARG  74          1HG       ARG  74 -12.193  -1.854  -8.518
  571   2HG   ARG  74          2HG       ARG  74 -13.247  -1.715  -7.128
  572   1HD   ARG  74          1HD       ARG  74 -15.092  -2.693  -8.578
  573   2HD   ARG  74          2HD       ARG  74 -13.869  -3.032  -9.789
  574    HE   ARG  74           HE       ARG  74 -12.740  -4.440  -7.986
  575   1HH1  ARG  74          2HH2      ARG  74 -16.265  -4.161  -8.430
  576   2HH1  ARG  74          1HH2      ARG  74 -16.607  -5.555  -7.434
  577   1HH2  ARG  74          2HH1      ARG  74 -13.240  -6.350  -6.724
  578   2HH2  ARG  74          1HH1      ARG  74 -14.896  -6.859  -6.624
  579    H    GLY  75           H        GLY  75 -14.443   0.143  -5.339
  580   1HA   GLY  75          1HA       GLY  75 -15.589  -0.810  -3.592
  581   2HA   GLY  75          2HA       GLY  75 -16.762  -1.526  -4.704
  582    H    GLY  76           H        GLY  76 -13.125  -1.955  -5.113
  583   1HA   GLY  76          1HA       GLY  76 -13.628  -4.852  -4.705
  584   2HA   GLY  76          2HA       GLY  76 -12.410  -4.116  -5.731
  585    H    LEU  77           H        LEU  77 -11.955  -2.112  -3.338
  586    HA   LEU  77           HA       LEU  77 -10.009  -3.670  -1.811
  587   1HB   LEU  77          1HB       LEU  77  -9.887  -1.181  -2.208
  588   2HB   LEU  77          2HB       LEU  77 -11.319  -0.958  -1.234
  589    HG   LEU  77           HG       LEU  77  -8.541  -1.721  -0.343
  590   1HD1  LEU  77          1HD1      LEU  77  -9.223   0.670  -0.716
  591   2HD1  LEU  77          2HD1      LEU  77 -10.497   0.466   0.499
  592   3HD1  LEU  77          3HD1      LEU  77  -8.790   0.336   0.975
  593   1HD2  LEU  77          2HD2      LEU  77 -11.012  -1.867   1.427
  594   2HD2  LEU  77          3HD2      LEU  77  -9.763  -3.119   1.161
  595   3HD2  LEU  77          1HD2      LEU  77  -9.364  -1.663   2.036
  596    H    ASP  78           H        ASP  78 -13.325  -2.440  -1.431
  597    HA   ASP  78           HA       ASP  78 -13.795  -2.951   1.191
  598   1HB   ASP  78          1HB       ASP  78 -15.278  -1.746  -0.328
  599   2HB   ASP  78          2HB       ASP  78 -15.797  -3.228  -1.097
  600    HA   PRO  79           HA       PRO  79 -15.075  -7.544   0.601
  601   1HB   PRO  79          1HB       PRO  79 -14.615  -8.894  -1.743
  602   2HB   PRO  79          2HB       PRO  79 -16.100  -7.953  -1.441
  603   1HG   PRO  79          1HG       PRO  79 -13.589  -7.057  -2.899
  604   2HG   PRO  79          2HG       PRO  79 -15.291  -6.938  -3.457
  605   1HD   PRO  79          1HD       PRO  79 -14.091  -4.834  -2.284
  606   2HD   PRO  79          2HD       PRO  79 -15.785  -5.241  -1.893
  607    H    LEU  80           H        LEU  80 -12.036  -6.262  -0.572
  608    HA   LEU  80           HA       LEU  80 -10.545  -8.763  -0.073
  609   1HB   LEU  80          1HB       LEU  80  -9.881  -6.035  -1.149
  610   2HB   LEU  80          2HB       LEU  80  -8.610  -6.886  -0.289
  611    HG   LEU  80           HG       LEU  80 -10.142  -8.150  -2.587
  612   1HD1  LEU  80          1HD1      LEU  80  -7.459  -6.693  -2.617
  613   2HD1  LEU  80          2HD1      LEU  80  -8.163  -7.610  -3.965
  614   3HD1  LEU  80          3HD1      LEU  80  -8.960  -6.138  -3.385
  615   1HD2  LEU  80          1HD2      LEU  80  -7.453  -8.842  -1.279
  616   2HD2  LEU  80          2HD2      LEU  80  -8.947  -9.772  -1.098
  617   3HD2  LEU  80          3HD2      LEU  80  -8.178  -9.664  -2.676
  618    H    LEU  81           H        LEU  81 -11.408  -5.736   1.544
  619    HA   LEU  81           HA       LEU  81  -9.540  -5.691   3.582
  620   1HB   LEU  81          1HB       LEU  81 -11.189  -3.935   3.174
  621   2HB   LEU  81          2HB       LEU  81 -12.493  -4.959   3.730
  622    HG   LEU  81           HG       LEU  81 -11.649  -3.139   5.270
  623   1HD1  LEU  81          1HD1      LEU  81 -13.095  -4.987   6.068
  624   2HD1  LEU  81          2HD1      LEU  81 -11.645  -5.882   6.571
  625   3HD1  LEU  81          3HD1      LEU  81 -12.027  -4.319   7.307
  626   1HD2  LEU  81          1HD2      LEU  81  -9.234  -3.547   4.932
  627   2HD2  LEU  81          2HD2      LEU  81  -9.714  -3.452   6.636
  628   3HD2  LEU  81          3HD2      LEU  81  -9.360  -5.029   5.907
  629    H    LYS  82           H        LYS  82 -12.593  -7.522   3.551
  630    HA   LYS  82           HA       LYS  82 -13.369  -9.244   4.810
  631   1HB   LYS  82          1HB       LYS  82 -11.803 -10.044   2.957
  632   2HB   LYS  82          2HB       LYS  82 -10.602 -10.291   4.215
  633   1HG   LYS  82          1HG       LYS  82 -12.652 -11.675   5.336
  634   2HG   LYS  82          2HG       LYS  82 -13.209 -11.725   3.666
  635   1HD   LYS  82          1HD       LYS  82 -10.530 -12.711   4.717
  636   2HD   LYS  82          2HD       LYS  82 -11.906 -13.738   4.269
  637   1HE   LYS  82          1HE       LYS  82 -11.744 -13.069   1.941
  638   2HE   LYS  82          2HE       LYS  82 -10.536 -11.853   2.332
  639   1HZ   LYS  82          2HZ       LYS  82  -9.081 -13.731   3.074
  640   2HZ   LYS  82          3HZ       LYS  82 -10.188 -14.774   2.439
  641   3HZ   LYS  82          1HZ       LYS  82  -9.415 -13.712   1.467
  642   1HB2  GTT  83          1HB2      GTT  83   9.473   6.605  -3.269
  643   2HB2  GTT  83          2HB2      GTT  83  11.166   7.007  -3.521
  644    HA2  GTT  83           HA2      GTT  83  10.752   7.170  -5.978
  645    HN2  GTT  83           HN2      GTT  83   7.982   6.679  -5.169
  646   1HG1  GTT  83          1HG1      GTT  83   6.788   7.729  -7.710
  647   2HG1  GTT  83          2HG1      GTT  83   6.381   6.353  -6.676
  648   1HB1  GTT  83          1HB1      GTT  83   6.893   4.863  -8.682
  649   2HB1  GTT  83          2HB1      GTT  83   6.929   6.326  -9.666
  650    HA1  GTT  83           HA1      GTT  83   4.617   5.749  -7.771
  651   1HN1  GTT  83          1HN1      GTT  83   4.883   4.693 -10.466
  652   2HN1  GTT  83          2HN1      GTT  83   4.671   3.840  -9.039
  653   3HN1  GTT  83          3HN1      GTT  83   3.471   4.827  -9.625
  654    HN3  GTT  83           HN3      GTT  83  12.036   5.451  -6.602
  655   1HA3  GTT  83          1HA3      GTT  83  11.565   2.785  -5.320
  656   2HA3  GTT  83          2HA3      GTT  83  12.438   3.057  -6.836
   
  No H/Q in entry =         656
  Start of MODEL    3
    1   1H    ALA   1          3H        ALA   1  -8.762 -10.364   6.073
    2   2H    ALA   1          1H        ALA   1  -9.523  -9.997   4.653
    3   3H    ALA   1          2H        ALA   1  -7.970 -10.564   4.631
    4    HA   ALA   1           HA       ALA   1  -7.860  -8.303   4.225
    5   1HB   ALA   1          3HB       ALA   1  -9.591  -8.020   6.695
    6   2HB   ALA   1          1HB       ALA   1  -8.764  -6.664   5.874
    7   3HB   ALA   1          2HB       ALA   1  -9.973  -7.625   5.015
    8    H    ASN   2           H        ASN   2  -5.729  -8.273   4.477
    9    HA   ASN   2           HA       ASN   2  -4.609  -7.428   7.064
   10   1HB   ASN   2          1HB       ASN   2  -4.067  -9.793   6.856
   11   2HB   ASN   2          2HB       ASN   2  -3.487  -9.575   5.201
   12   1HD2  ASN   2          2HD2      ASN   2  -0.226  -9.021   6.510
   13   2HD2  ASN   2          1HD2      ASN   2  -1.229  -9.770   5.270
   14    H    VAL   3           H        VAL   3  -4.953  -5.379   6.030
   15    HA   VAL   3           HA       VAL   3  -3.937  -4.865   3.371
   16    HB   VAL   3           HB       VAL   3  -4.933  -2.891   5.484
   17   1HG1  VAL   3          3HG1      VAL   3  -3.665  -1.813   3.645
   18   2HG1  VAL   3          1HG1      VAL   3  -4.698  -2.619   2.447
   19   3HG1  VAL   3          2HG1      VAL   3  -5.381  -1.409   3.560
   20   1HG2  VAL   3          2HG2      VAL   3  -6.505  -4.301   3.288
   21   2HG2  VAL   3          3HG2      VAL   3  -6.723  -4.490   5.043
   22   3HG2  VAL   3          1HG2      VAL   3  -7.084  -2.947   4.274
   23    H    GLU   4           H        GLU   4  -1.724  -5.103   3.259
   24    HA   GLU   4           HA       GLU   4  -0.025  -3.693   5.245
   25   1HB   GLU   4          1HB       GLU   4   0.603  -5.297   2.703
   26   2HB   GLU   4          2HB       GLU   4   1.836  -4.486   3.648
   27   1HG   GLU   4          1HG       GLU   4   1.388  -5.945   5.576
   28   2HG   GLU   4          2HG       GLU   4   0.084  -6.744   4.685
   29    H    ILE   5           H        ILE   5   1.275  -1.891   4.617
   30    HA   ILE   5           HA       ILE   5   1.178  -0.972   1.836
   31    HB   ILE   5           HB       ILE   5  -0.668   0.261   2.750
   32   1HG1  ILE   5          1HG1      ILE   5   1.800   2.033   2.474
   33   2HG1  ILE   5          2HG1      ILE   5   0.900   1.341   1.152
   34   1HG2  ILE   5          1HG2      ILE   5   0.037   0.165   5.201
   35   2HG2  ILE   5          2HG2      ILE   5   1.117   1.522   4.860
   36   3HG2  ILE   5          3HG2      ILE   5  -0.639   1.701   4.650
   37   1HD1  ILE   5          1HD1      ILE   5  -1.110   2.659   1.846
   38   2HD1  ILE   5          2HD1      ILE   5  -0.128   3.419   3.126
   39   3HD1  ILE   5          3HD1      ILE   5   0.302   3.655   1.429
   40    H    TYR   6           H        TYR   6   3.216  -0.910   1.282
   41    HA   TYR   6           HA       TYR   6   5.430  -0.366   3.155
   42   1HB   TYR   6          1HB       TYR   6   5.091  -1.043   0.250
   43   2HB   TYR   6          2HB       TYR   6   6.475  -0.061   0.690
   44    HD1  TYR   6           HD2      TYR   6   4.740  -3.276   1.704
   45    HD2  TYR   6           HD1      TYR   6   8.378  -0.977   1.586
   46    HE1  TYR   6           HE2      TYR   6   6.032  -5.270   2.444
   47    HE2  TYR   6           HE1      TYR   6   9.667  -2.957   2.277
   48    HH   TYR   6           HH       TYR   6   9.510  -5.358   2.093
   49    H    THR   7           H        THR   7   6.294   1.598   3.624
   50    HA   THR   7           HA       THR   7   5.259   3.984   2.178
   51    HB   THR   7           HB       THR   7   4.992   4.932   4.504
   52    HG1  THR   7           HG1      THR   7   5.120   3.564   6.247
   53   1HG2  THR   7          1HG2      THR   7   3.037   4.053   3.203
   54   2HG2  THR   7          2HG2      THR   7   3.231   2.513   4.081
   55   3HG2  THR   7          3HG2      THR   7   2.854   3.996   4.968
   56    H    LYS   8           H        LYS   8   6.496   5.986   2.852
   57    HA   LYS   8           HA       LYS   8   8.965   5.441   4.253
   58   1HB   LYS   8          1HB       LYS   8   9.205   5.526   1.482
   59   2HB   LYS   8          2HB       LYS   8   9.316   7.253   1.877
   60   1HG   LYS   8          1HG       LYS   8  11.027   6.325   3.681
   61   2HG   LYS   8          2HG       LYS   8  11.165   4.988   2.540
   62   1HD   LYS   8          1HD       LYS   8  11.802   7.930   2.158
   63   2HD   LYS   8          2HD       LYS   8  12.931   6.574   2.210
   64   1HE   LYS   8          1HE       LYS   8  11.797   5.740   0.042
   65   2HE   LYS   8          2HE       LYS   8  11.009   7.329  -0.013
   66   1HZ   LYS   8          1HZ       LYS   8  13.289   8.313   0.053
   67   2HZ   LYS   8          2HZ       LYS   8  13.903   6.774  -0.096
   68   3HZ   LYS   8          3HZ       LYS   8  12.996   7.428  -1.273
   69    H    GLU   9           H        GLU   9   9.799   7.483   5.103
   70    HA   GLU   9           HA       GLU   9   7.935   9.519   5.755
   71   1HB   GLU   9          1HB       GLU   9  10.018   9.112   7.050
   72   2HB   GLU   9          2HB       GLU   9  10.981   9.680   5.680
   73   1HG   GLU   9          1HG       GLU   9   9.532  11.876   5.856
   74   2HG   GLU   9          2HG       GLU   9   9.040  11.247   7.421
   75    H    THR  10           H        THR  10  10.855  10.050   3.671
   76    HA   THR  10           HA       THR  10   9.449  12.108   2.175
   77    HB   THR  10           HB       THR  10  11.593  12.715   2.567
   78    HG1  THR  10           HG1      THR  10  11.039  12.863   0.352
   79   1HG2  THR  10          2HG2      THR  10  12.654   9.982   1.803
   80   2HG2  THR  10          3HG2      THR  10  13.638  11.409   2.175
   81   3HG2  THR  10          1HG2      THR  10  12.632  10.710   3.429
   82    H    CYS  11           H        CYS  11   7.776  11.050   1.388
   83    HA   CYS  11           HA       CYS  11   8.014  10.156  -1.308
   84   1HB   CYS  11          1HB       CYS  11   7.031   8.194   0.792
   85   2HB   CYS  11          2HB       CYS  11   6.404   8.177  -0.851
   86    HA   PRO  12           HA       PRO  12   4.319  12.614   0.050
   87   1HB   PRO  12          1HB       PRO  12   3.677  13.759  -2.317
   88   2HB   PRO  12          2HB       PRO  12   4.916  14.440  -1.208
   89   1HG   PRO  12          1HG       PRO  12   5.366  12.718  -3.662
   90   2HG   PRO  12          2HG       PRO  12   6.277  14.165  -3.156
   91   1HD   PRO  12          1HD       PRO  12   7.150  11.629  -2.699
   92   2HD   PRO  12          2HD       PRO  12   7.464  12.940  -1.515
   93    H    TYR  13           H        TYR  13   4.670  10.808  -2.993
   94    HA   TYR  13           HA       TYR  13   2.021   9.800  -3.247
   95   1HB   TYR  13          1HB       TYR  13   3.969   9.931  -4.904
   96   2HB   TYR  13          2HB       TYR  13   4.636   8.520  -4.107
   97    HD1  TYR  13           HD2      TYR  13   1.757   9.808  -6.119
   98    HD2  TYR  13           HD1      TYR  13   3.791   6.360  -4.584
   99    HE1  TYR  13           HE2      TYR  13   0.345   8.339  -7.553
  100    HE2  TYR  13           HE1      TYR  13   2.420   4.882  -6.027
  101    HH   TYR  13           HH       TYR  13   0.758   5.605  -8.544
  102    H    SER  14           H        SER  14   3.942   9.277  -0.537
  103    HA   SER  14           HA       SER  14   2.717   6.589  -0.005
  104   1HB   SER  14          1HB       SER  14   5.133   6.720   0.466
  105   2HB   SER  14          2HB       SER  14   4.876   8.152   1.485
  106    HG   SER  14           HG       SER  14   4.496   6.948   3.050
  107    H    HIS  15           H        HIS  15   2.893  10.080   0.954
  108    HA   HIS  15           HA       HIS  15   0.980   9.605   3.121
  109   1HB   HIS  15          1HB       HIS  15   1.962  12.229   1.932
  110   2HB   HIS  15          2HB       HIS  15   1.011  12.044   3.408
  111    HD1  HIS  15           HD1      HIS  15   2.339  10.524   5.468
  112    HD2  HIS  15           HD2      HIS  15   4.594  11.876   2.132
  113    HE1  HIS  15           HE1      HIS  15   4.796  10.215   6.054
  114    HE2  HIS  15           HE2      HIS  15   6.162  11.042   3.999
  115    H    ARG  16           H        ARG  16   0.752  10.546  -0.283
  116    HA   ARG  16           HA       ARG  16  -1.950  11.327  -0.407
  117   1HB   ARG  16          1HB       ARG  16   0.048  10.052  -2.212
  118   2HB   ARG  16          2HB       ARG  16  -1.613   9.760  -2.667
  119   1HG   ARG  16          1HG       ARG  16  -2.031  12.228  -2.631
  120   2HG   ARG  16          2HG       ARG  16  -0.312  12.455  -2.224
  121   1HD   ARG  16          1HD       ARG  16   0.137  11.032  -4.375
  122   2HD   ARG  16          2HD       ARG  16  -1.552  11.405  -4.794
  123    HE   ARG  16           HE       ARG  16  -0.518  13.834  -4.106
  124   1HH1  ARG  16          2HH2      ARG  16   0.256  11.525  -6.763
  125   2HH1  ARG  16          1HH2      ARG  16   1.428  12.602  -7.441
  126   1HH2  ARG  16          2HH1      ARG  16   0.778  15.284  -5.294
  127   2HH2  ARG  16          1HH1      ARG  16   1.636  14.744  -6.705
  128    H    ALA  17           H        ALA  17  -0.735   7.930  -0.498
  129    HA   ALA  17           HA       ALA  17  -3.216   6.719  -0.351
  130   1HB   ALA  17          1HB       ALA  17  -1.078   5.519  -0.801
  131   2HB   ALA  17          2HB       ALA  17  -0.626   5.726   0.903
  132   3HB   ALA  17          3HB       ALA  17  -2.030   4.728   0.469
  133    H    LYS  18           H        LYS  18  -1.564   8.348   2.226
  134    HA   LYS  18           HA       LYS  18  -3.329   7.186   4.306
  135   1HB   LYS  18          1HB       LYS  18  -1.135   9.303   4.395
  136   2HB   LYS  18          2HB       LYS  18  -2.324   9.140   5.685
  137   1HG   LYS  18          1HG       LYS  18  -0.390   7.861   6.245
  138   2HG   LYS  18          2HG       LYS  18  -1.776   6.791   5.986
  139   1HD   LYS  18          1HD       LYS  18  -0.870   6.021   3.855
  140   2HD   LYS  18          2HD       LYS  18   0.349   7.301   3.865
  141   1HE   LYS  18          1HE       LYS  18   1.084   4.923   4.459
  142   2HE   LYS  18          2HE       LYS  18   1.660   6.277   5.431
  143   1HZ   LYS  18          2HZ       LYS  18  -0.021   5.769   7.077
  144   2HZ   LYS  18          3HZ       LYS  18  -0.506   4.423   6.244
  145   3HZ   LYS  18          1HZ       LYS  18   1.019   4.580   6.886
  146    H    ALA  19           H        ALA  19  -3.008  10.342   2.493
  147    HA   ALA  19           HA       ALA  19  -5.368  11.406   3.675
  148   1HB   ALA  19          1HB       ALA  19  -3.849  12.779   2.278
  149   2HB   ALA  19          2HB       ALA  19  -4.286  11.820   0.840
  150   3HB   ALA  19          3HB       ALA  19  -5.504  12.819   1.641
  151    H    LEU  20           H        LEU  20  -5.022   8.914   1.249
  152    HA   LEU  20           HA       LEU  20  -7.913   8.823   0.732
  153   1HB   LEU  20          1HB       LEU  20  -6.141   8.120  -0.918
  154   2HB   LEU  20          2HB       LEU  20  -5.682   6.801   0.146
  155    HG   LEU  20           HG       LEU  20  -8.238   7.101  -1.481
  156   1HD1  LEU  20          3HD1      LEU  20  -5.908   5.114  -1.496
  157   2HD1  LEU  20          1HD1      LEU  20  -7.377   4.943  -2.459
  158   3HD1  LEU  20          2HD1      LEU  20  -6.310   6.313  -2.747
  159   1HD2  LEU  20          1HD2      LEU  20  -7.564   4.873   0.492
  160   2HD2  LEU  20          2HD2      LEU  20  -8.959   5.996   0.540
  161   3HD2  LEU  20          3HD2      LEU  20  -8.834   4.795  -0.734
  162    H    LEU  21           H        LEU  21  -5.738   6.395   2.270
  163    HA   LEU  21           HA       LEU  21  -7.908   4.876   3.238
  164   1HB   LEU  21          1HB       LEU  21  -4.986   5.108   4.109
  165   2HB   LEU  21          2HB       LEU  21  -6.056   3.940   4.839
  166    HG   LEU  21           HG       LEU  21  -5.530   4.032   1.833
  167   1HD1  LEU  21          3HD1      LEU  21  -3.427   3.612   3.034
  168   2HD1  LEU  21          1HD1      LEU  21  -4.197   2.295   3.954
  169   3HD1  LEU  21          2HD1      LEU  21  -3.979   2.155   2.194
  170   1HD2  LEU  21          3HD2      LEU  21  -6.709   1.856   3.624
  171   2HD2  LEU  21          1HD2      LEU  21  -7.605   2.832   2.438
  172   3HD2  LEU  21          2HD2      LEU  21  -6.374   1.698   1.895
  173    H    SER  22           H        SER  22  -6.220   7.594   4.749
  174    HA   SER  22           HA       SER  22  -7.548   7.208   7.292
  175   1HB   SER  22          1HB       SER  22  -5.187   8.198   6.790
  176   2HB   SER  22          2HB       SER  22  -6.041   9.696   6.405
  177    HG   SER  22           HG       SER  22  -6.696   9.855   8.477
  178    H    SER  23           H        SER  23  -8.218   9.136   4.194
  179    HA   SER  23           HA       SER  23 -10.369  10.627   5.406
  180   1HB   SER  23          1HB       SER  23  -9.468  11.060   3.148
  181   2HB   SER  23          2HB       SER  23 -10.145   9.534   2.562
  182    HG   SER  23           HG       SER  23 -11.171  11.897   2.614
  183    H    LYS  24           H        LYS  24 -10.053   7.371   3.995
  184    HA   LYS  24           HA       LYS  24 -12.772   6.591   4.560
  185   1HB   LYS  24          1HB       LYS  24 -10.288   5.054   3.716
  186   2HB   LYS  24          2HB       LYS  24 -11.894   4.307   3.878
  187   1HG   LYS  24          1HG       LYS  24 -12.771   5.935   2.240
  188   2HG   LYS  24          2HG       LYS  24 -11.154   6.612   2.023
  189   1HD   LYS  24          1HD       LYS  24 -10.357   4.409   1.226
  190   2HD   LYS  24          2HD       LYS  24 -11.962   3.718   1.425
  191   1HE   LYS  24          1HE       LYS  24 -11.734   6.274  -0.142
  192   2HE   LYS  24          2HE       LYS  24 -11.110   4.804  -0.903
  193   1HZ   LYS  24          3HZ       LYS  24 -13.824   4.851   0.230
  194   2HZ   LYS  24          1HZ       LYS  24 -13.524   5.338  -1.323
  195   3HZ   LYS  24          2HZ       LYS  24 -13.134   3.813  -0.847
  196    H    GLY  25           H        GLY  25 -10.152   6.889   6.706
  197   1HA   GLY  25          1HA       GLY  25  -9.821   6.264   8.859
  198   2HA   GLY  25          2HA       GLY  25 -11.510   5.760   8.914
  199    H    VAL  26           H        VAL  26  -9.091   4.261   6.714
  200    HA   VAL  26           HA       VAL  26  -9.883   1.643   7.835
  201    HB   VAL  26           HB       VAL  26  -7.811   1.877   5.661
  202   1HG1  VAL  26          2HG1      VAL  26  -8.507  -0.342   6.495
  203   2HG1  VAL  26          3HG1      VAL  26 -10.197   0.021   6.051
  204   3HG1  VAL  26          1HG1      VAL  26  -8.940  -0.123   4.803
  205   1HG2  VAL  26          1HG2      VAL  26 -10.754   2.394   5.150
  206   2HG2  VAL  26          2HG2      VAL  26  -9.348   3.426   4.757
  207   3HG2  VAL  26          3HG2      VAL  26  -9.573   1.914   3.903
  208    H    SER  27           H        SER  27  -8.424   0.170   8.830
  209    HA   SER  27           HA       SER  27  -5.918   1.250   9.901
  210   1HB   SER  27          1HB       SER  27  -7.569  -0.375  11.088
  211   2HB   SER  27          2HB       SER  27  -6.908  -1.624  10.017
  212    HG   SER  27           HG       SER  27  -5.813  -0.295  12.198
  213    H    PHE  28           H        PHE  28  -3.925  -0.044   9.498
  214    HA   PHE  28           HA       PHE  28  -3.581  -1.761   7.182
  215   1HB   PHE  28          1HB       PHE  28  -2.050  -0.210   5.997
  216   2HB   PHE  28          2HB       PHE  28  -3.716   0.304   5.953
  217    HD1  PHE  28           HD2      PHE  28  -0.478   0.981   7.769
  218    HD2  PHE  28           HD1      PHE  28  -4.393   2.447   6.697
  219    HE1  PHE  28           HE2      PHE  28   0.009   3.138   8.912
  220    HE2  PHE  28           HE1      PHE  28  -3.854   4.624   7.738
  221    HZ   PHE  28           HZ       PHE  28  -1.700   4.950   8.919
  222    H    GLN  29           H        GLN  29  -1.416  -2.545   7.152
  223    HA   GLN  29           HA       GLN  29   0.140  -2.417   9.652
  224   1HB   GLN  29          1HB       GLN  29  -0.535  -4.709   8.904
  225   2HB   GLN  29          2HB       GLN  29   0.114  -4.390   7.308
  226   1HG   GLN  29          1HG       GLN  29   1.767  -5.662   8.292
  227   2HG   GLN  29          2HG       GLN  29   2.398  -4.035   8.523
  228   1HE2  GLN  29          2HE2      GLN  29   1.874  -6.419  11.737
  229   2HE2  GLN  29          1HE2      GLN  29   2.076  -6.921  10.069
  230    H    GLU  30           H        GLU  30   1.191  -0.589   9.282
  231    HA   GLU  30           HA       GLU  30   2.239   0.198   6.661
  232   1HB   GLU  30          1HB       GLU  30   1.839   1.633   9.046
  233   2HB   GLU  30          2HB       GLU  30   3.608   1.419   8.960
  234   1HG   GLU  30          1HG       GLU  30   3.427   2.123   6.530
  235   2HG   GLU  30          2HG       GLU  30   1.781   2.627   6.867
  236    H    LEU  31           H        LEU  31   4.190  -0.204   5.823
  237    HA   LEU  31           HA       LEU  31   6.312  -1.615   7.359
  238   1HB   LEU  31          1HB       LEU  31   5.350  -1.977   4.499
  239   2HB   LEU  31          2HB       LEU  31   6.895  -2.536   5.056
  240    HG   LEU  31           HG       LEU  31   5.587  -4.384   5.025
  241   1HD1  LEU  31          1HD1      LEU  31   6.837  -4.180   7.179
  242   2HD1  LEU  31          2HD1      LEU  31   5.356  -3.575   7.950
  243   3HD1  LEU  31          3HD1      LEU  31   5.388  -5.213   7.303
  244   1HD2  LEU  31          3HD2      LEU  31   3.387  -3.242   4.837
  245   2HD2  LEU  31          1HD2      LEU  31   3.384  -4.711   5.831
  246   3HD2  LEU  31          2HD2      LEU  31   3.374  -3.121   6.608
  247    HA   PRO  32           HA       PRO  32   7.907   2.554   5.892
  248   1HB   PRO  32          1HB       PRO  32   9.622   2.910   8.001
  249   2HB   PRO  32          2HB       PRO  32   7.908   3.421   7.990
  250   1HG   PRO  32          1HG       PRO  32   9.107   0.888   9.129
  251   2HG   PRO  32          2HG       PRO  32   7.956   2.009   9.906
  252   1HD   PRO  32          1HD       PRO  32   7.096  -0.260   8.753
  253   2HD   PRO  32          2HD       PRO  32   6.160   1.251   8.542
  254    H    ILE  33           H        ILE  33   9.490   2.585   4.542
  255    HA   ILE  33           HA       ILE  33  11.870   0.797   4.789
  256    HB   ILE  33           HB       ILE  33  11.964   1.236   2.221
  257   1HG1  ILE  33          1HG1      ILE  33   8.953   1.358   2.535
  258   2HG1  ILE  33          2HG1      ILE  33   9.927   2.817   2.294
  259   1HG2  ILE  33          3HG2      ILE  33   9.967  -0.607   3.568
  260   2HG2  ILE  33          1HG2      ILE  33  10.655  -0.818   1.933
  261   3HG2  ILE  33          2HG2      ILE  33  11.713  -0.890   3.345
  262   1HD1  ILE  33          2HD1      ILE  33   9.726   0.523   0.329
  263   2HD1  ILE  33          3HD1      ILE  33   8.900   2.078   0.257
  264   3HD1  ILE  33          1HD1      ILE  33  10.663   2.037   0.123
  265    H    ASP  34           H        ASP  34  11.220   3.701   5.837
  266    HA   ASP  34           HA       ASP  34  13.027   5.268   4.315
  267   1HB   ASP  34          1HB       ASP  34  12.882   6.956   6.067
  268   2HB   ASP  34          2HB       ASP  34  11.287   6.314   5.783
  269    H    GLY  35           H        GLY  35  13.511   3.795   7.606
  270   1HA   GLY  35          1HA       GLY  35  16.432   4.008   7.256
  271   2HA   GLY  35          2HA       GLY  35  15.549   3.530   8.705
  272    H    ASN  36           H        ASN  36  14.544   1.947   5.774
  273    HA   ASN  36           HA       ASN  36  15.951  -0.566   6.537
  274   1HB   ASN  36          1HB       ASN  36  14.026  -0.937   7.721
  275   2HB   ASN  36          2HB       ASN  36  13.043   0.103   6.698
  276   1HD2  ASN  36          2HD2      ASN  36  11.487  -2.747   5.438
  277   2HD2  ASN  36          1HD2      ASN  36  11.399  -1.139   6.061
  278    H    ALA  37           H        ALA  37  17.105  -0.879   4.727
  279    HA   ALA  37           HA       ALA  37  15.787  -0.615   2.065
  280   1HB   ALA  37          3HB       ALA  37  18.676  -1.159   2.821
  281   2HB   ALA  37          1HB       ALA  37  18.046  -1.040   1.162
  282   3HB   ALA  37          2HB       ALA  37  17.997   0.375   2.213
  283    H    ALA  38           H        ALA  38  16.374  -3.007   4.473
  284    HA   ALA  38           HA       ALA  38  16.881  -5.285   2.832
  285   1HB   ALA  38          2HB       ALA  38  15.595  -5.030   5.590
  286   2HB   ALA  38          3HB       ALA  38  16.084  -6.557   4.845
  287   3HB   ALA  38          1HB       ALA  38  17.309  -5.348   5.247
  288    H    LYS  39           H        LYS  39  13.789  -4.429   4.503
  289    HA   LYS  39           HA       LYS  39  12.362  -6.208   2.758
  290   1HB   LYS  39          1HB       LYS  39  11.867  -4.596   5.168
  291   2HB   LYS  39          2HB       LYS  39  10.543  -4.480   4.029
  292   1HG   LYS  39          1HG       LYS  39  10.495  -6.990   3.887
  293   2HG   LYS  39          2HG       LYS  39  11.858  -7.046   5.004
  294   1HD   LYS  39          1HD       LYS  39  10.125  -7.540   6.373
  295   2HD   LYS  39          2HD       LYS  39  10.281  -5.807   6.678
  296   1HE   LYS  39          1HE       LYS  39   8.332  -5.326   5.312
  297   2HE   LYS  39          2HE       LYS  39   8.355  -6.947   4.609
  298   1HZ   LYS  39          1HZ       LYS  39   7.896  -7.806   6.884
  299   2HZ   LYS  39          2HZ       LYS  39   7.652  -6.286   7.401
  300   3HZ   LYS  39          3HZ       LYS  39   6.654  -6.945   6.258
  301    H    ARG  40           H        ARG  40  13.410  -2.900   2.397
  302    HA   ARG  40           HA       ARG  40  11.554  -2.113   0.350
  303   1HB   ARG  40          1HB       ARG  40  13.387  -0.776   1.677
  304   2HB   ARG  40          2HB       ARG  40  14.489  -1.304   0.422
  305   1HG   ARG  40          1HG       ARG  40  11.905   0.147  -0.183
  306   2HG   ARG  40          2HG       ARG  40  13.342   1.024   0.326
  307   1HD   ARG  40          1HD       ARG  40  12.929  -0.490  -2.260
  308   2HD   ARG  40          2HD       ARG  40  13.126   1.226  -2.001
  309    HE   ARG  40           HE       ARG  40  15.443   0.952  -1.425
  310   1HH1  ARG  40          2HH2      ARG  40  13.995  -1.999  -2.854
  311   2HH1  ARG  40          1HH2      ARG  40  15.517  -2.398  -3.640
  312   1HH2  ARG  40          2HH1      ARG  40  17.347   0.240  -2.325
  313   2HH2  ARG  40          1HH1      ARG  40  17.401  -1.231  -3.290
  314    H    GLU  41           H        GLU  41  14.504  -4.160   0.297
  315    HA   GLU  41           HA       GLU  41  14.511  -4.350  -2.602
  316   1HB   GLU  41          1HB       GLU  41  16.390  -4.758  -0.778
  317   2HB   GLU  41          2HB       GLU  41  15.780  -6.406  -0.776
  318   1HG   GLU  41          1HG       GLU  41  16.706  -4.814  -3.218
  319   2HG   GLU  41          2HG       GLU  41  17.734  -5.904  -2.305
  320    H    GLU  42           H        GLU  42  13.446  -6.464   0.096
  321    HA   GLU  42           HA       GLU  42  12.333  -8.499  -1.436
  322   1HB   GLU  42          1HB       GLU  42  12.646  -8.521   1.036
  323   2HB   GLU  42          2HB       GLU  42  11.263  -7.427   1.210
  324   1HG   GLU  42          1HG       GLU  42   9.770  -9.120   0.213
  325   2HG   GLU  42          2HG       GLU  42  11.161 -10.177  -0.082
  326    H    MET  43           H        MET  43  10.832  -5.364  -0.616
  327    HA   MET  43           HA       MET  43   8.202  -5.878  -1.516
  328   1HB   MET  43          1HB       MET  43   9.032  -3.779  -0.340
  329   2HB   MET  43          2HB       MET  43   9.878  -3.323  -1.812
  330   1HG   MET  43          1HG       MET  43   7.563  -3.352  -2.962
  331   2HG   MET  43          2HG       MET  43   6.892  -3.479  -1.338
  332   1HE   MET  43          1HE       MET  43   8.362  -1.242  -4.119
  333   2HE   MET  43          2HE       MET  43   8.956   0.195  -3.267
  334   3HE   MET  43          3HE       MET  43   9.819  -1.348  -3.103
  335    H    ILE  44           H        ILE  44  11.176  -5.228  -3.434
  336    HA   ILE  44           HA       ILE  44   9.746  -4.729  -5.879
  337    HB   ILE  44           HB       ILE  44  12.593  -5.725  -5.516
  338   1HG1  ILE  44          1HG1      ILE  44  11.624  -2.849  -5.708
  339   2HG1  ILE  44          2HG1      ILE  44  12.218  -3.609  -4.245
  340   1HG2  ILE  44          1HG2      ILE  44  11.607  -5.956  -7.814
  341   2HG2  ILE  44          2HG2      ILE  44  11.224  -4.224  -7.811
  342   3HG2  ILE  44          3HG2      ILE  44  12.907  -4.785  -7.794
  343   1HD1  ILE  44          1HD1      ILE  44  13.923  -3.238  -6.728
  344   2HD1  ILE  44          2HD1      ILE  44  13.923  -2.199  -5.321
  345   3HD1  ILE  44          3HD1      ILE  44  14.433  -3.904  -5.165
  346    H    LYS  45           H        LYS  45  11.464  -7.593  -4.490
  347    HA   LYS  45           HA       LYS  45  10.659  -9.465  -6.412
  348   1HB   LYS  45          1HB       LYS  45  12.254  -9.788  -4.459
  349   2HB   LYS  45          2HB       LYS  45  10.853 -10.013  -3.414
  350   1HG   LYS  45          1HG       LYS  45  10.477 -11.738  -5.686
  351   2HG   LYS  45          2HG       LYS  45  12.162 -11.870  -5.225
  352   1HD   LYS  45          1HD       LYS  45  11.095 -13.564  -4.068
  353   2HD   LYS  45          2HD       LYS  45  11.332 -12.312  -2.833
  354   1HE   LYS  45          1HE       LYS  45   8.960 -11.574  -3.182
  355   2HE   LYS  45          2HE       LYS  45   8.785 -12.789  -4.460
  356   1HZ   LYS  45          2HZ       LYS  45   9.374 -14.439  -2.633
  357   2HZ   LYS  45          3HZ       LYS  45   9.081 -13.249  -1.572
  358   3HZ   LYS  45          1HZ       LYS  45   7.869 -13.753  -2.594
  359    H    ARG  46           H        ARG  46   8.844  -8.363  -3.515
  360    HA   ARG  46           HA       ARG  46   6.641 -10.161  -3.982
  361   1HB   ARG  46          1HB       ARG  46   6.874  -7.691  -2.249
  362   2HB   ARG  46          2HB       ARG  46   5.435  -8.715  -2.339
  363   1HG   ARG  46          1HG       ARG  46   6.755 -10.694  -1.637
  364   2HG   ARG  46          2HG       ARG  46   8.191  -9.686  -1.493
  365   1HD   ARG  46          1HD       ARG  46   7.269  -9.979   0.707
  366   2HD   ARG  46          2HD       ARG  46   7.004  -8.295   0.224
  367    HE   ARG  46           HE       ARG  46   4.785 -10.067  -0.432
  368   1HH1  ARG  46          2HH2      ARG  46   6.209  -8.315   2.344
  369   2HH1  ARG  46          1HH2      ARG  46   4.639  -7.901   3.018
  370   1HH2  ARG  46          2HH1      ARG  46   2.807  -9.816   0.717
  371   2HH2  ARG  46          1HH1      ARG  46   2.697  -8.808   2.119
  372    H    SER  47           H        SER  47   7.439  -7.108  -5.512
  373    HA   SER  47           HA       SER  47   4.599  -6.801  -6.367
  374   1HB   SER  47          1HB       SER  47   6.813  -4.728  -6.110
  375   2HB   SER  47          2HB       SER  47   5.118  -4.414  -6.489
  376    HG   SER  47           HG       SER  47   6.327  -5.273  -4.119
  377    H    GLY  48           H        GLY  48   7.757  -7.422  -7.696
  378   1HA   GLY  48          1HA       GLY  48   8.638  -7.315  -9.775
  379   2HA   GLY  48          2HA       GLY  48   6.993  -7.386 -10.428
  380    H    ARG  49           H        ARG  49   8.027  -4.790  -8.212
  381    HA   ARG  49           HA       ARG  49   8.220  -2.757 -10.297
  382   1HB   ARG  49          1HB       ARG  49   5.932  -2.891  -8.276
  383   2HB   ARG  49          2HB       ARG  49   6.466  -1.365  -8.999
  384   1HG   ARG  49          1HG       ARG  49   5.764  -1.960 -11.168
  385   2HG   ARG  49          2HG       ARG  49   5.771  -3.667 -10.787
  386   1HD   ARG  49          1HD       ARG  49   3.802  -3.007  -9.123
  387   2HD   ARG  49          2HD       ARG  49   3.611  -1.688 -10.298
  388    HE   ARG  49           HE       ARG  49   3.985  -4.347 -11.464
  389   1HH1  ARG  49          2HH2      ARG  49   1.461  -2.009 -10.526
  390   2HH1  ARG  49          1HH2      ARG  49   0.186  -2.961 -11.218
  391   1HH2  ARG  49          2HH1      ARG  49   2.356  -5.277 -12.753
  392   2HH2  ARG  49          1HH1      ARG  49   0.779  -4.575 -12.766
  393    H    THR  50           H        THR  50   9.370  -0.989  -9.474
  394    HA   THR  50           HA       THR  50  10.780  -1.434  -6.946
  395    HB   THR  50           HB       THR  50  11.965   0.739  -7.936
  396    HG1  THR  50           HG1      THR  50  11.832   0.626 -10.266
  397   1HG2  THR  50          2HG2      THR  50  12.217  -2.036  -9.170
  398   2HG2  THR  50          3HG2      THR  50  13.426  -0.728  -9.288
  399   3HG2  THR  50          1HG2      THR  50  13.039  -1.422  -7.719
  400    H    THR  51           H        THR  51   8.120   0.575  -8.069
  401    HA   THR  51           HA       THR  51   8.810   2.787  -6.420
  402    HB   THR  51           HB       THR  51   6.447   3.472  -7.239
  403    HG1  THR  51           HG1      THR  51   6.000   2.142  -9.242
  404   1HG2  THR  51          2HG2      THR  51   8.587   4.213  -8.258
  405   2HG2  THR  51          3HG2      THR  51   8.601   2.779  -9.299
  406   3HG2  THR  51          1HG2      THR  51   7.332   4.014  -9.469
  407    H    VAL  52           H        VAL  52   7.837   3.546  -4.617
  408    HA   VAL  52           HA       VAL  52   6.099   1.731  -3.045
  409    HB   VAL  52           HB       VAL  52   7.444   2.168  -1.388
  410   1HG1  VAL  52          1HG1      VAL  52   8.683   4.536  -2.842
  411   2HG1  VAL  52          2HG1      VAL  52   9.275   3.863  -1.318
  412   3HG1  VAL  52          3HG1      VAL  52   9.321   2.871  -2.769
  413   1HG2  VAL  52          3HG2      VAL  52   6.535   5.068  -1.425
  414   2HG2  VAL  52          1HG2      VAL  52   5.798   3.740  -0.506
  415   3HG2  VAL  52          2HG2      VAL  52   7.408   4.277  -0.102
  416    HA   PRO  53           HA       PRO  53   4.683   2.145  -1.260
  417   1HB   PRO  53          1HB       PRO  53   2.035   2.077  -0.707
  418   2HB   PRO  53          2HB       PRO  53   3.010   3.510  -0.244
  419   1HG   PRO  53          1HG       PRO  53   1.281   3.180  -2.704
  420   2HG   PRO  53          2HG       PRO  53   1.305   4.539  -1.525
  421   1HD   PRO  53          1HD       PRO  53   2.727   4.588  -3.853
  422   2HD   PRO  53          2HD       PRO  53   3.383   5.320  -2.347
  423    H    GLN  54           H        GLN  54   3.817   0.041  -1.086
  424    HA   GLN  54           HA       GLN  54   2.416  -1.028  -3.454
  425   1HB   GLN  54          1HB       GLN  54   4.764  -2.331  -2.000
  426   2HB   GLN  54          2HB       GLN  54   3.655  -3.191  -3.076
  427   1HG   GLN  54          1HG       GLN  54   5.380  -0.827  -3.877
  428   2HG   GLN  54          2HG       GLN  54   5.757  -2.502  -4.237
  429   1HE2  GLN  54          2HE2      GLN  54   3.827  -0.682  -7.091
  430   2HE2  GLN  54          1HE2      GLN  54   5.188  -0.177  -6.080
  431    H    ILE  55           H        ILE  55   0.482  -1.737  -2.766
  432    HA   ILE  55           HA       ILE  55   0.089  -2.180   0.111
  433    HB   ILE  55           HB       ILE  55  -1.841  -1.468  -2.149
  434   1HG1  ILE  55          1HG1      ILE  55  -2.176   0.466  -0.241
  435   2HG1  ILE  55          2HG1      ILE  55  -0.503   0.083   0.046
  436   1HG2  ILE  55          2HG2      ILE  55  -2.952  -2.992  -0.512
  437   2HG2  ILE  55          3HG2      ILE  55  -2.504  -1.886   0.798
  438   3HG2  ILE  55          1HG2      ILE  55  -3.617  -1.361  -0.466
  439   1HD1  ILE  55          1HD1      ILE  55  -1.688   0.938  -2.635
  440   2HD1  ILE  55          2HD1      ILE  55  -0.815   1.991  -1.508
  441   3HD1  ILE  55          3HD1      ILE  55   0.038   0.671  -2.319
  442    H    PHE  56           H        PHE  56  -0.941  -4.159   0.649
  443    HA   PHE  56           HA       PHE  56  -1.435  -6.108  -1.470
  444   1HB   PHE  56          1HB       PHE  56   0.332  -6.701   0.949
  445   2HB   PHE  56          2HB       PHE  56  -0.433  -7.920  -0.047
  446    HD1  PHE  56           HD1      PHE  56   1.944  -4.999  -0.306
  447    HD2  PHE  56           HD2      PHE  56   0.719  -8.832  -1.885
  448    HE1  PHE  56           HE1      PHE  56   3.911  -5.021  -1.803
  449    HE2  PHE  56           HE2      PHE  56   2.708  -8.830  -3.371
  450    HZ   PHE  56           HZ       PHE  56   4.268  -6.903  -3.354
  451    H    ILE  57           H        ILE  57  -3.120  -7.486  -0.806
  452    HA   ILE  57           HA       ILE  57  -4.060  -7.191   1.992
  453    HB   ILE  57           HB       ILE  57  -6.047  -7.133  -0.310
  454   1HG1  ILE  57          1HG1      ILE  57  -5.164  -4.796   1.450
  455   2HG1  ILE  57          2HG1      ILE  57  -4.760  -4.984  -0.247
  456   1HG2  ILE  57          2HG2      ILE  57  -6.804  -8.169   1.824
  457   2HG2  ILE  57          3HG2      ILE  57  -6.307  -6.710   2.715
  458   3HG2  ILE  57          1HG2      ILE  57  -7.645  -6.653   1.553
  459   1HD1  ILE  57          3HD1      ILE  57  -7.179  -4.910  -0.840
  460   2HD1  ILE  57          1HD1      ILE  57  -7.534  -4.533   0.865
  461   3HD1  ILE  57          2HD1      ILE  57  -6.543  -3.427  -0.097
  462    H    ASP  58           H        ASP  58  -3.924  -9.189   2.768
  463    HA   ASP  58           HA       ASP  58  -3.760 -11.495   2.872
  464   1HB   ASP  58          1HB       ASP  58  -6.062 -11.194   0.950
  465   2HB   ASP  58          2HB       ASP  58  -5.611 -12.736   1.679
  466    H    ALA  59           H        ALA  59  -1.978 -10.317   1.203
  467    HA   ALA  59           HA       ALA  59  -0.217 -10.784  -0.123
  468   1HB   ALA  59          2HB       ALA  59  -0.336 -13.120   0.721
  469   2HB   ALA  59          3HB       ALA  59  -1.375 -13.541  -0.665
  470   3HB   ALA  59          1HB       ALA  59   0.279 -12.999  -0.941
  471    H    GLN  60           H        GLN  60  -3.325 -10.447  -1.257
  472    HA   GLN  60           HA       GLN  60  -2.833 -10.717  -4.112
  473   1HB   GLN  60          1HB       GLN  60  -5.091  -9.244  -2.676
  474   2HB   GLN  60          2HB       GLN  60  -5.009  -9.712  -4.370
  475   1HG   GLN  60          1HG       GLN  60  -4.856 -12.103  -3.710
  476   2HG   GLN  60          2HG       GLN  60  -5.001 -11.653  -2.008
  477   1HE2  GLN  60          2HE2      GLN  60  -8.413 -12.383  -2.341
  478   2HE2  GLN  60          1HE2      GLN  60  -6.899 -12.580  -1.473
  479    H    HIS  61           H        HIS  61  -1.759  -9.274  -5.263
  480    HA   HIS  61           HA       HIS  61  -0.610  -6.958  -3.847
  481   1HB   HIS  61          1HB       HIS  61   0.906  -8.482  -4.978
  482   2HB   HIS  61          2HB       HIS  61  -0.040  -8.462  -6.463
  483    HD1  HIS  61           HD1      HIS  61   1.192  -7.130  -8.315
  484    HD2  HIS  61           HD2      HIS  61   1.754  -5.685  -4.355
  485    HE1  HIS  61           HE1      HIS  61   2.868  -5.193  -8.451
  486    HE2  HIS  61           HE2      HIS  61   3.093  -4.232  -6.064
  487    H    ILE  62           H        ILE  62  -1.188  -4.860  -4.367
  488    HA   ILE  62           HA       ILE  62  -3.485  -4.558  -6.133
  489    HB   ILE  62           HB       ILE  62  -2.004  -2.413  -4.567
  490   1HG1  ILE  62          1HG1      ILE  62  -2.559  -3.982  -2.906
  491   2HG1  ILE  62          2HG1      ILE  62  -3.757  -2.727  -2.824
  492   1HG2  ILE  62          2HG2      ILE  62  -4.802  -2.586  -5.740
  493   2HG2  ILE  62          3HG2      ILE  62  -4.259  -1.354  -4.584
  494   3HG2  ILE  62          1HG2      ILE  62  -3.499  -1.465  -6.169
  495   1HD1  ILE  62          2HD1      ILE  62  -4.229  -5.470  -4.071
  496   2HD1  ILE  62          3HD1      ILE  62  -4.808  -4.904  -2.505
  497   3HD1  ILE  62          1HD1      ILE  62  -5.417  -4.149  -3.979
  498    H    GLY  63           H        GLY  63  -0.315  -2.847  -5.971
  499   1HA   GLY  63          1HA       GLY  63   0.968  -3.233  -8.178
  500   2HA   GLY  63          2HA       GLY  63  -0.394  -2.362  -8.891
  501    H    GLY  64           H        GLY  64  -0.646  -0.640  -6.401
  502   1HA   GLY  64          1HA       GLY  64   1.487   1.042  -5.893
  503   2HA   GLY  64          2HA       GLY  64   0.774   1.556  -7.444
  504    H    TYR  65           H        TYR  65   0.379   3.446  -5.784
  505    HA   TYR  65           HA       TYR  65  -1.974   3.184  -4.048
  506   1HB   TYR  65          1HB       TYR  65  -0.486   4.828  -3.264
  507   2HB   TYR  65          2HB       TYR  65  -0.084   5.375  -4.871
  508    HD1  TYR  65           HD2      TYR  65  -2.910   5.357  -2.392
  509    HD2  TYR  65           HD1      TYR  65  -1.169   7.215  -5.877
  510    HE1  TYR  65           HE2      TYR  65  -4.405   7.332  -2.126
  511    HE2  TYR  65           HE1      TYR  65  -2.641   9.133  -5.616
  512    HH   TYR  65           HH       TYR  65  -4.582   9.929  -4.510
  513    H    ASP  66           H        ASP  66  -1.231   4.769  -7.244
  514    HA   ASP  66           HA       ASP  66  -3.902   5.610  -7.680
  515   1HB   ASP  66          1HB       ASP  66  -1.553   5.026  -9.492
  516   2HB   ASP  66          2HB       ASP  66  -3.143   5.228 -10.206
  517    H    ASP  67           H        ASP  67  -2.353   2.454  -8.157
  518    HA   ASP  67           HA       ASP  67  -4.562   1.162  -9.473
  519   1HB   ASP  67          1HB       ASP  67  -2.431   0.019  -7.625
  520   2HB   ASP  67          2HB       ASP  67  -3.673  -0.948  -8.408
  521    H    LEU  68           H        LEU  68  -3.631   1.468  -5.987
  522    HA   LEU  68           HA       LEU  68  -5.857   0.058  -4.979
  523   1HB   LEU  68          1HB       LEU  68  -3.867   0.696  -3.569
  524   2HB   LEU  68          2HB       LEU  68  -4.414   2.371  -3.614
  525    HG   LEU  68           HG       LEU  68  -6.614   1.630  -2.553
  526   1HD1  LEU  68          3HD1      LEU  68  -5.087  -0.996  -2.280
  527   2HD1  LEU  68          1HD1      LEU  68  -6.518  -0.582  -1.332
  528   3HD1  LEU  68          2HD1      LEU  68  -6.656  -0.742  -3.080
  529   1HD2  LEU  68          2HD2      LEU  68  -4.854   2.664  -1.229
  530   2HD2  LEU  68          3HD2      LEU  68  -5.782   1.462  -0.324
  531   3HD2  LEU  68          1HD2      LEU  68  -4.156   1.054  -0.910
  532    H    TYR  69           H        TYR  69  -5.523   3.559  -5.539
  533    HA   TYR  69           HA       TYR  69  -7.920   4.373  -4.383
  534   1HB   TYR  69          1HB       TYR  69  -6.043   5.836  -5.248
  535   2HB   TYR  69          2HB       TYR  69  -6.634   5.576  -6.875
  536    HD1  TYR  69           HD1      TYR  69  -9.445   6.149  -7.067
  537    HD2  TYR  69           HD2      TYR  69  -6.543   7.863  -4.365
  538    HE1  TYR  69           HE1      TYR  69 -10.978   8.012  -6.594
  539    HE2  TYR  69           HE2      TYR  69  -8.047   9.737  -3.913
  540    HH   TYR  69           HH       TYR  69 -11.244  10.046  -5.506
  541    H    ALA  70           H        ALA  70  -7.344   3.393  -7.778
  542    HA   ALA  70           HA       ALA  70 -10.105   3.689  -8.596
  543   1HB   ALA  70          1HB       ALA  70  -8.216   3.740 -10.187
  544   2HB   ALA  70          2HB       ALA  70  -7.816   2.052  -9.793
  545   3HB   ALA  70          3HB       ALA  70  -9.347   2.447 -10.601
  546    H    LEU  71           H        LEU  71  -8.141   0.984  -7.393
  547    HA   LEU  71           HA       LEU  71 -10.065  -1.162  -7.570
  548   1HB   LEU  71          1HB       LEU  71  -7.572  -1.314  -7.195
  549   2HB   LEU  71          2HB       LEU  71  -7.889  -0.921  -5.509
  550    HG   LEU  71           HG       LEU  71  -9.571  -3.089  -6.796
  551   1HD1  LEU  71          1HD1      LEU  71  -7.223  -3.624  -7.473
  552   2HD1  LEU  71          2HD1      LEU  71  -6.784  -3.654  -5.759
  553   3HD1  LEU  71          3HD1      LEU  71  -7.965  -4.817  -6.391
  554   1HD2  LEU  71          3HD2      LEU  71  -9.870  -2.280  -4.468
  555   2HD2  LEU  71          1HD2      LEU  71  -9.556  -4.015  -4.618
  556   3HD2  LEU  71          2HD2      LEU  71  -8.267  -2.880  -4.078
  557    H    ASP  72           H        ASP  72  -9.441   1.247  -5.006
  558    HA   ASP  72           HA       ASP  72 -11.424   0.179  -3.219
  559   1HB   ASP  72          1HB       ASP  72  -9.454   1.599  -2.600
  560   2HB   ASP  72          2HB       ASP  72 -10.251   2.987  -3.338
  561    H    ALA  73           H        ALA  73 -11.371   3.047  -5.334
  562    HA   ALA  73           HA       ALA  73 -13.870   3.983  -4.678
  563   1HB   ALA  73          3HB       ALA  73 -12.057   5.276  -5.770
  564   2HB   ALA  73          1HB       ALA  73 -12.370   4.406  -7.294
  565   3HB   ALA  73          2HB       ALA  73 -13.606   5.476  -6.593
  566    H    ARG  74           H        ARG  74 -13.217   1.461  -6.984
  567    HA   ARG  74           HA       ARG  74 -15.909   1.523  -8.128
  568   1HB   ARG  74          1HB       ARG  74 -15.176  -0.235  -9.462
  569   2HB   ARG  74          2HB       ARG  74 -13.809   0.861  -9.328
  570   1HG   ARG  74          1HG       ARG  74 -12.647  -0.614  -7.839
  571   2HG   ARG  74          2HG       ARG  74 -14.047  -1.661  -7.611
  572   1HD   ARG  74          1HD       ARG  74 -14.018  -2.307  -9.983
  573   2HD   ARG  74          2HD       ARG  74 -12.678  -1.185 -10.275
  574    HE   ARG  74           HE       ARG  74 -11.192  -2.649  -9.420
  575   1HH1  ARG  74          2HH2      ARG  74 -14.417  -3.900  -8.345
  576   2HH1  ARG  74          1HH2      ARG  74 -13.697  -5.376  -7.810
  577   1HH2  ARG  74          2HH1      ARG  74 -10.391  -4.448  -8.686
  578   2HH2  ARG  74          1HH1      ARG  74 -11.335  -5.746  -7.999
  579    H    GLY  75           H        GLY  75 -14.633   0.310  -5.269
  580   1HA   GLY  75          1HA       GLY  75 -15.881  -0.846  -3.591
  581   2HA   GLY  75          2HA       GLY  75 -16.929  -1.536  -4.827
  582    H    GLY  76           H        GLY  76 -13.298  -1.620  -5.216
  583   1HA   GLY  76          1HA       GLY  76 -13.383  -4.540  -5.193
  584   2HA   GLY  76          2HA       GLY  76 -12.053  -3.480  -5.636
  585    H    LEU  77           H        LEU  77 -11.826  -1.848  -3.394
  586    HA   LEU  77           HA       LEU  77 -10.289  -3.625  -1.726
  587   1HB   LEU  77          1HB       LEU  77  -9.807  -1.145  -2.242
  588   2HB   LEU  77          2HB       LEU  77 -11.017  -0.739  -1.038
  589    HG   LEU  77           HG       LEU  77  -8.304  -2.008  -0.695
  590   1HD1  LEU  77          2HD1      LEU  77  -8.605   0.483  -0.706
  591   2HD1  LEU  77          3HD1      LEU  77  -9.675   0.334   0.691
  592   3HD1  LEU  77          1HD1      LEU  77  -7.967  -0.120   0.834
  593   1HD2  LEU  77          3HD2      LEU  77 -10.418  -1.946   1.497
  594   2HD2  LEU  77          1HD2      LEU  77  -9.539  -3.366   0.872
  595   3HD2  LEU  77          2HD2      LEU  77  -8.675  -2.140   1.777
  596    H    ASP  78           H        ASP  78 -13.327  -1.810  -1.300
  597    HA   ASP  78           HA       ASP  78 -13.644  -2.174   1.426
  598   1HB   ASP  78          1HB       ASP  78 -15.072  -0.655   0.419
  599   2HB   ASP  78          2HB       ASP  78 -15.624  -1.797  -0.809
  600    HA   PRO  79           HA       PRO  79 -15.812  -6.369   1.058
  601   1HB   PRO  79          1HB       PRO  79 -15.658  -7.894  -1.233
  602   2HB   PRO  79          2HB       PRO  79 -16.989  -6.780  -0.820
  603   1HG   PRO  79          1HG       PRO  79 -14.608  -6.253  -2.613
  604   2HG   PRO  79          2HG       PRO  79 -16.331  -5.858  -2.896
  605   1HD   PRO  79          1HD       PRO  79 -14.543  -4.024  -1.986
  606   2HD   PRO  79          2HD       PRO  79 -16.240  -4.025  -1.433
  607    H    LEU  80           H        LEU  80 -12.618  -5.818  -0.368
  608    HA   LEU  80           HA       LEU  80 -11.527  -8.411   0.527
  609   1HB   LEU  80          1HB       LEU  80 -10.168  -5.843  -0.398
  610   2HB   LEU  80          2HB       LEU  80  -9.316  -7.289   0.094
  611    HG   LEU  80           HG       LEU  80 -11.198  -7.198  -2.274
  612   1HD1  LEU  80          1HD1      LEU  80  -9.244  -5.736  -2.607
  613   2HD1  LEU  80          2HD1      LEU  80  -8.156  -7.081  -2.190
  614   3HD1  LEU  80          3HD1      LEU  80  -9.168  -7.160  -3.647
  615   1HD2  LEU  80          2HD2      LEU  80  -9.180  -9.300  -1.357
  616   2HD2  LEU  80          3HD2      LEU  80 -10.949  -9.473  -1.372
  617   3HD2  LEU  80          1HD2      LEU  80 -10.065  -9.331  -2.894
  618    H    LEU  81           H        LEU  81 -12.567  -5.537   2.039
  619    HA   LEU  81           HA       LEU  81 -10.541  -5.497   4.083
  620   1HB   LEU  81          1HB       LEU  81 -11.996  -3.575   3.030
  621   2HB   LEU  81          2HB       LEU  81 -13.164  -3.999   4.255
  622    HG   LEU  81           HG       LEU  81 -11.569  -2.041   4.600
  623   1HD1  LEU  81          2HD1      LEU  81 -12.902  -3.162   6.482
  624   2HD1  LEU  81          3HD1      LEU  81 -11.358  -3.870   6.985
  625   3HD1  LEU  81          1HD1      LEU  81 -11.560  -2.108   6.900
  626   1HD2  LEU  81          3HD2      LEU  81  -9.499  -3.246   3.897
  627   2HD2  LEU  81          1HD2      LEU  81  -9.344  -2.407   5.446
  628   3HD2  LEU  81          2HD2      LEU  81  -9.542  -4.155   5.428
  629    H    LYS  82           H        LYS  82 -12.287  -8.032   3.747
  630    HA   LYS  82           HA       LYS  82 -12.819  -8.389   6.579
  631   1HB   LYS  82          1HB       LYS  82 -14.897  -8.334   4.817
  632   2HB   LYS  82          2HB       LYS  82 -14.358  -9.993   4.546
  633   1HG   LYS  82          1HG       LYS  82 -15.230  -8.679   7.155
  634   2HG   LYS  82          2HG       LYS  82 -16.120  -9.882   6.213
  635   1HD   LYS  82          1HD       LYS  82 -14.261 -11.535   6.670
  636   2HD   LYS  82          2HD       LYS  82 -13.529 -10.325   7.774
  637   1HE   LYS  82          1HE       LYS  82 -15.559 -10.181   9.058
  638   2HE   LYS  82          2HE       LYS  82 -16.376 -11.277   7.933
  639   1HZ   LYS  82          1HZ       LYS  82 -14.660 -12.970   8.606
  640   2HZ   LYS  82          2HZ       LYS  82 -14.231 -11.946   9.835
  641   3HZ   LYS  82          3HZ       LYS  82 -15.748 -12.531   9.784
  642   1HB2  GTT  83          1HB2      GTT  83   6.877   8.112  -3.388
  643   2HB2  GTT  83          2HB2      GTT  83   7.260   6.396  -3.218
  644    HA2  GTT  83           HA2      GTT  83   8.376   8.120  -5.460
  645    HN2  GTT  83           HN2      GTT  83   6.075   6.241  -5.468
  646   1HG1  GTT  83          1HG1      GTT  83   4.225   7.679  -7.577
  647   2HG1  GTT  83          2HG1      GTT  83   4.867   6.061  -7.222
  648   1HB1  GTT  83          1HB1      GTT  83   6.286   6.198  -9.263
  649   2HB1  GTT  83          2HB1      GTT  83   5.658   7.827  -9.565
  650    HA1  GTT  83           HA1      GTT  83   3.309   6.817  -9.522
  651   1HN1  GTT  83          1HN1      GTT  83   3.085   4.587  -9.912
  652   2HN1  GTT  83          2HN1      GTT  83   4.670   4.323 -10.152
  653   3HN1  GTT  83          3HN1      GTT  83   4.089   4.599  -8.610
  654    HN3  GTT  83           HN3      GTT  83  10.441   6.700  -4.859
  655   1HA3  GTT  83          1HA3      GTT  83  10.258   3.870  -5.065
  656   2HA3  GTT  83          2HA3      GTT  83  10.705   4.575  -6.629
   
  No H/Q in entry =         656
  Start of MODEL    4
    1   1H    ALA   1          3H        ALA   1  -8.760  -7.367   8.659
    2   2H    ALA   1          1H        ALA   1  -9.597  -8.713   8.224
    3   3H    ALA   1          2H        ALA   1  -8.142  -8.841   8.999
    4    HA   ALA   1           HA       ALA   1  -7.767  -9.343   6.737
    5   1HB   ALA   1          1HB       ALA   1  -9.018  -6.623   6.191
    6   2HB   ALA   1          2HB       ALA   1  -8.207  -7.655   4.989
    7   3HB   ALA   1          3HB       ALA   1  -9.701  -8.211   5.755
    8    H    ASN   2           H        ASN   2  -5.718  -8.718   5.806
    9    HA   ASN   2           HA       ASN   2  -4.203  -7.024   7.724
   10   1HB   ASN   2          1HB       ASN   2  -3.605  -9.438   7.788
   11   2HB   ASN   2          2HB       ASN   2  -3.074  -9.327   6.096
   12   1HD2  ASN   2          2HD2      ASN   2   0.062  -7.941   7.163
   13   2HD2  ASN   2          1HD2      ASN   2  -0.755  -8.897   5.961
   14    H    VAL   3           H        VAL   3  -5.124  -5.438   6.414
   15    HA   VAL   3           HA       VAL   3  -4.124  -4.840   3.752
   16    HB   VAL   3           HB       VAL   3  -5.253  -2.868   5.778
   17   1HG1  VAL   3          1HG1      VAL   3  -5.206  -2.850   2.733
   18   2HG1  VAL   3          2HG1      VAL   3  -5.993  -1.633   3.766
   19   3HG1  VAL   3          3HG1      VAL   3  -4.232  -1.828   3.805
   20   1HG2  VAL   3          1HG2      VAL   3  -6.796  -4.727   3.943
   21   2HG2  VAL   3          2HG2      VAL   3  -6.918  -4.576   5.709
   22   3HG2  VAL   3          3HG2      VAL   3  -7.483  -3.263   4.682
   23    H    GLU   4           H        GLU   4  -2.002  -4.153   3.319
   24    HA   GLU   4           HA       GLU   4  -0.607  -2.589   5.432
   25   1HB   GLU   4          1HB       GLU   4   0.898  -4.638   3.800
   26   2HB   GLU   4          2HB       GLU   4   1.413  -3.720   5.208
   27   1HG   GLU   4          1HG       GLU   4  -0.198  -4.992   6.627
   28   2HG   GLU   4          2HG       GLU   4  -0.665  -5.939   5.217
   29    H    ILE   5           H        ILE   5   1.109  -1.200   4.577
   30    HA   ILE   5           HA       ILE   5   1.057  -0.679   1.697
   31    HB   ILE   5           HB       ILE   5  -0.718   0.704   2.311
   32   1HG1  ILE   5          1HG1      ILE   5   1.774   2.449   2.285
   33   2HG1  ILE   5          2HG1      ILE   5   1.064   1.708   0.876
   34   1HG2  ILE   5          3HG2      ILE   5  -0.398   0.717   4.816
   35   2HG2  ILE   5          1HG2      ILE   5   0.832   1.977   4.589
   36   3HG2  ILE   5          2HG2      ILE   5  -0.858   2.265   4.132
   37   1HD1  ILE   5          1HD1      ILE   5  -1.026   3.065   1.278
   38   2HD1  ILE   5          2HD1      ILE   5  -0.182   3.864   2.631
   39   3HD1  ILE   5          3HD1      ILE   5   0.442   4.031   0.994
   40    H    TYR   6           H        TYR   6   3.086  -0.631   1.085
   41    HA   TYR   6           HA       TYR   6   5.328  -0.154   2.963
   42   1HB   TYR   6          1HB       TYR   6   5.048  -1.064   0.099
   43   2HB   TYR   6          2HB       TYR   6   6.555  -0.348   0.654
   44    HD1  TYR   6           HD1      TYR   6   7.596  -1.213   2.834
   45    HD2  TYR   6           HD2      TYR   6   4.681  -3.454   0.604
   46    HE1  TYR   6           HE1      TYR   6   8.480  -3.274   3.798
   47    HE2  TYR   6           HE2      TYR   6   5.513  -5.558   1.631
   48    HH   TYR   6           HH       TYR   6   6.904  -6.099   3.999
   49    H    THR   7           H        THR   7   6.391   1.685   3.236
   50    HA   THR   7           HA       THR   7   5.829   4.034   1.516
   51    HB   THR   7           HB       THR   7   5.563   5.252   3.729
   52    HG1  THR   7           HG1      THR   7   5.244   4.062   5.563
   53   1HG2  THR   7          3HG2      THR   7   3.570   4.422   2.320
   54   2HG2  THR   7          1HG2      THR   7   3.459   3.087   3.488
   55   3HG2  THR   7          2HG2      THR   7   3.256   4.766   4.027
   56    H    LYS   8           H        LYS   8   7.343   5.892   2.294
   57    HA   LYS   8           HA       LYS   8   9.699   5.018   3.719
   58   1HB   LYS   8          1HB       LYS   8  11.300   5.929   2.262
   59   2HB   LYS   8          2HB       LYS   8  10.436   4.675   1.386
   60   1HG   LYS   8          1HG       LYS   8   9.467   6.286  -0.109
   61   2HG   LYS   8          2HG       LYS   8   9.665   7.593   1.000
   62   1HD   LYS   8          1HD       LYS   8  11.304   7.854  -0.747
   63   2HD   LYS   8          2HD       LYS   8  12.132   7.470   0.765
   64   1HE   LYS   8          1HE       LYS   8  12.099   4.997  -0.031
   65   2HE   LYS   8          2HE       LYS   8  11.601   5.628  -1.605
   66   1HZ   LYS   8          3HZ       LYS   8  13.710   6.996  -1.496
   67   2HZ   LYS   8          1HZ       LYS   8  14.131   6.121  -0.168
   68   3HZ   LYS   8          2HZ       LYS   8  13.931   5.368  -1.591
   69    H    GLU   9           H        GLU   9  10.811   7.097   4.515
   70    HA   GLU   9           HA       GLU   9   9.041   9.291   5.073
   71   1HB   GLU   9          1HB       GLU   9  11.245   8.470   6.263
   72   2HB   GLU   9          2HB       GLU   9  12.082   9.399   5.035
   73   1HG   GLU   9          1HG       GLU   9  10.800  11.457   5.806
   74   2HG   GLU   9          2HG       GLU   9  10.058  10.476   7.062
   75    H    THR  10           H        THR  10   9.614  11.575   4.269
   76    HA   THR  10           HA       THR  10   9.854  13.095   2.649
   77    HB   THR  10           HB       THR  10  11.930  13.024   1.301
   78    HG1  THR  10           HG1      THR  10  11.845  10.448   2.010
   79   1HG2  THR  10          3HG2      THR  10  11.902  13.986   3.583
   80   2HG2  THR  10          1HG2      THR  10  12.344  12.401   4.255
   81   3HG2  THR  10          2HG2      THR  10  13.467  13.254   3.184
   82    H    CYS  11           H        CYS  11   7.730  11.857   1.995
   83    HA   CYS  11           HA       CYS  11   7.795  11.529  -0.907
   84   1HB   CYS  11          1HB       CYS  11   8.550   9.329  -0.212
   85   2HB   CYS  11          2HB       CYS  11   7.206   9.179   0.914
   86    HA   PRO  12           HA       PRO  12   3.772  13.117   0.584
   87   1HB   PRO  12          1HB       PRO  12   2.948  14.376  -1.644
   88   2HB   PRO  12          2HB       PRO  12   4.114  15.104  -0.490
   89   1HG   PRO  12          1HG       PRO  12   4.719  13.701  -3.109
   90   2HG   PRO  12          2HG       PRO  12   5.429  15.222  -2.477
   91   1HD   PRO  12          1HD       PRO  12   6.685  12.802  -2.255
   92   2HD   PRO  12          2HD       PRO  12   6.812  14.053  -0.980
   93    H    TYR  13           H        TYR  13   4.259  11.579  -2.680
   94    HA   TYR  13           HA       TYR  13   1.675  10.563  -3.093
   95   1HB   TYR  13          1HB       TYR  13   3.860  10.542  -4.583
   96   2HB   TYR  13          2HB       TYR  13   4.315   9.123  -3.678
   97    HD1  TYR  13           HD2      TYR  13   1.170  10.342  -5.442
   98    HD2  TYR  13           HD1      TYR  13   4.110   7.230  -4.988
   99    HE1  TYR  13           HE2      TYR  13  -0.058   8.953  -7.062
  100    HE2  TYR  13           HE1      TYR  13   2.886   5.826  -6.610
  101    HH   TYR  13           HH       TYR  13  -0.057   6.983  -8.306
  102    H    SER  14           H        SER  14   4.209   9.308  -0.940
  103    HA   SER  14           HA       SER  14   2.759   6.970  -0.057
  104   1HB   SER  14          1HB       SER  14   5.110   6.976   0.263
  105   2HB   SER  14          2HB       SER  14   5.071   8.553   1.073
  106    HG   SER  14           HG       SER  14   4.910   7.555   2.837
  107    H    HIS  15           H        HIS  15   3.077  10.346   1.282
  108    HA   HIS  15           HA       HIS  15   1.428   9.706   3.548
  109   1HB   HIS  15          1HB       HIS  15   2.297  12.337   2.306
  110   2HB   HIS  15          2HB       HIS  15   1.127  12.287   3.616
  111    HD1  HIS  15           HD1      HIS  15   1.956  10.999   5.945
  112    HD2  HIS  15           HD2      HIS  15   4.863  12.243   3.118
  113    HE1  HIS  15           HE1      HIS  15   4.245  10.900   7.124
  114    HE2  HIS  15           HE2      HIS  15   5.999  11.730   5.425
  115    H    ARG  16           H        ARG  16   0.583  11.237   0.434
  116    HA   ARG  16           HA       ARG  16  -2.176  11.526   0.726
  117   1HB   ARG  16          1HB       ARG  16  -0.247  11.192  -1.496
  118   2HB   ARG  16          2HB       ARG  16  -1.794  10.487  -1.852
  119   1HG   ARG  16          1HG       ARG  16  -2.876  12.679  -1.183
  120   2HG   ARG  16          2HG       ARG  16  -1.245  13.388  -1.125
  121   1HD   ARG  16          1HD       ARG  16  -0.898  12.928  -3.472
  122   2HD   ARG  16          2HD       ARG  16  -2.298  11.845  -3.534
  123    HE   ARG  16           HE       ARG  16  -3.046  14.538  -2.774
  124   1HH1  ARG  16          2HH2      ARG  16  -2.323  12.500  -5.649
  125   2HH1  ARG  16          1HH2      ARG  16  -3.559  13.220  -6.596
  126   1HH2  ARG  16          2HH1      ARG  16  -4.382  15.716  -4.197
  127   2HH2  ARG  16          1HH1      ARG  16  -4.552  15.219  -5.850
  128    H    ALA  17           H        ALA  17  -0.399   8.471  -0.104
  129    HA   ALA  17           HA       ALA  17  -2.827   7.116  -0.576
  130   1HB   ALA  17          3HB       ALA  17  -0.092   6.025   0.174
  131   2HB   ALA  17          1HB       ALA  17  -1.429   5.053  -0.492
  132   3HB   ALA  17          2HB       ALA  17  -0.689   6.337  -1.472
  133    H    LYS  18           H        LYS  18  -1.293   7.746   2.472
  134    HA   LYS  18           HA       LYS  18  -3.067   5.792   3.843
  135   1HB   LYS  18          1HB       LYS  18  -1.530   8.064   5.172
  136   2HB   LYS  18          2HB       LYS  18  -2.363   6.714   5.941
  137   1HG   LYS  18          1HG       LYS  18  -0.298   5.749   5.936
  138   2HG   LYS  18          2HG       LYS  18  -0.792   5.265   4.327
  139   1HD   LYS  18          1HD       LYS  18   1.079   6.273   3.574
  140   2HD   LYS  18          2HD       LYS  18   0.256   7.797   3.857
  141   1HE   LYS  18          1HE       LYS  18   2.264   6.388   5.607
  142   2HE   LYS  18          2HE       LYS  18   2.419   7.970   4.859
  143   1HZ   LYS  18          3HZ       LYS  18   0.701   8.768   6.425
  144   2HZ   LYS  18          1HZ       LYS  18   0.635   7.275   7.130
  145   3HZ   LYS  18          2HZ       LYS  18   2.012   8.144   7.193
  146    H    ALA  19           H        ALA  19  -3.139   9.280   2.971
  147    HA   ALA  19           HA       ALA  19  -5.346   9.929   4.628
  148   1HB   ALA  19          2HB       ALA  19  -3.929  11.608   3.470
  149   2HB   ALA  19          3HB       ALA  19  -4.668  11.132   1.919
  150   3HB   ALA  19          1HB       ALA  19  -5.665  11.849   3.192
  151    H    LEU  20           H        LEU  20  -5.204   8.192   1.553
  152    HA   LEU  20           HA       LEU  20  -8.052   8.404   1.007
  153   1HB   LEU  20          1HB       LEU  20  -6.178   7.760  -0.609
  154   2HB   LEU  20          2HB       LEU  20  -6.154   6.166   0.129
  155    HG   LEU  20           HG       LEU  20  -8.428   7.466  -1.443
  156   1HD1  LEU  20          2HD1      LEU  20  -6.633   5.066  -2.017
  157   2HD1  LEU  20          3HD1      LEU  20  -8.005   5.599  -3.014
  158   3HD1  LEU  20          1HD1      LEU  20  -6.616   6.651  -2.843
  159   1HD2  LEU  20          2HD2      LEU  20  -8.365   4.692  -0.173
  160   2HD2  LEU  20          3HD2      LEU  20  -9.522   6.032   0.144
  161   3HD2  LEU  20          1HD2      LEU  20  -9.521   5.223  -1.414
  162    H    LEU  21           H        LEU  21  -6.084   5.744   2.320
  163    HA   LEU  21           HA       LEU  21  -8.251   4.063   3.095
  164   1HB   LEU  21          1HB       LEU  21  -5.319   4.349   3.877
  165   2HB   LEU  21          2HB       LEU  21  -6.301   3.114   4.620
  166    HG   LEU  21           HG       LEU  21  -6.331   3.303   1.596
  167   1HD1  LEU  21          1HD1      LEU  21  -4.064   2.017   3.156
  168   2HD1  LEU  21          2HD1      LEU  21  -4.367   1.864   1.404
  169   3HD1  LEU  21          3HD1      LEU  21  -3.958   3.436   2.087
  170   1HD2  LEU  21          1HD2      LEU  21  -6.425   0.964   3.556
  171   2HD2  LEU  21          2HD2      LEU  21  -7.810   1.687   2.702
  172   3HD2  LEU  21          3HD2      LEU  21  -6.552   0.841   1.790
  173    H    SER  22           H        SER  22  -6.565   6.645   4.831
  174    HA   SER  22           HA       SER  22  -7.821   6.317   7.365
  175   1HB   SER  22          1HB       SER  22  -5.714   7.556   7.014
  176   2HB   SER  22          2HB       SER  22  -6.529   8.662   5.902
  177    HG   SER  22           HG       SER  22  -6.500   9.806   7.599
  178    H    SER  23           H        SER  23  -8.656   8.400   4.428
  179    HA   SER  23           HA       SER  23 -10.973   9.498   5.628
  180   1HB   SER  23          1HB       SER  23  -9.873  10.331   3.539
  181   2HB   SER  23          2HB       SER  23 -10.470   8.893   2.685
  182    HG   SER  23           HG       SER  23 -12.538   9.748   3.915
  183    H    LYS  24           H        LYS  24 -10.330   6.260   4.629
  184    HA   LYS  24           HA       LYS  24 -13.206   5.563   4.472
  185   1HB   LYS  24          1HB       LYS  24 -10.647   4.164   3.594
  186   2HB   LYS  24          2HB       LYS  24 -12.240   3.371   3.597
  187   1HG   LYS  24          1HG       LYS  24 -13.127   5.109   2.163
  188   2HG   LYS  24          2HG       LYS  24 -11.593   5.973   2.141
  189   1HD   LYS  24          1HD       LYS  24 -10.521   4.167   0.928
  190   2HD   LYS  24          2HD       LYS  24 -11.961   3.144   1.024
  191   1HE   LYS  24          1HE       LYS  24 -12.192   5.984  -0.028
  192   2HE   LYS  24          2HE       LYS  24 -11.590   4.713  -1.093
  193   1HZ   LYS  24          3HZ       LYS  24 -14.136   4.314   0.360
  194   2HZ   LYS  24          1HZ       LYS  24 -14.052   5.014  -1.161
  195   3HZ   LYS  24          2HZ       LYS  24 -13.492   3.513  -0.912
  196    H    GLY  25           H        GLY  25 -11.042   5.945   6.908
  197   1HA   GLY  25          1HA       GLY  25 -10.962   5.141   9.059
  198   2HA   GLY  25          2HA       GLY  25 -12.563   4.454   8.761
  199    H    VAL  26           H        VAL  26  -9.617   3.500   6.897
  200    HA   VAL  26           HA       VAL  26 -10.356   0.732   7.584
  201    HB   VAL  26           HB       VAL  26  -8.158   1.765   5.767
  202   1HG1  VAL  26          2HG1      VAL  26  -9.339  -1.020   6.028
  203   2HG1  VAL  26          3HG1      VAL  26  -8.343  -0.489   4.660
  204   3HG1  VAL  26          1HG1      VAL  26  -7.645  -0.530   6.273
  205   1HG2  VAL  26          3HG2      VAL  26 -10.402   2.465   4.979
  206   2HG2  VAL  26          1HG2      VAL  26  -9.744   1.238   3.899
  207   3HG2  VAL  26          2HG2      VAL  26 -10.985   0.806   5.089
  208    H    SER  27           H        SER  27  -8.785  -0.756   8.372
  209    HA   SER  27           HA       SER  27  -6.713   0.425  10.161
  210   1HB   SER  27          1HB       SER  27  -8.540  -1.076  11.188
  211   2HB   SER  27          2HB       SER  27  -7.745  -2.421  10.341
  212    HG   SER  27           HG       SER  27  -6.717  -2.335  12.239
  213    H    PHE  28           H        PHE  28  -4.923   0.566   8.954
  214    HA   PHE  28           HA       PHE  28  -4.113  -1.729   7.241
  215   1HB   PHE  28          1HB       PHE  28  -2.930  -0.072   5.815
  216   2HB   PHE  28          2HB       PHE  28  -4.672   0.094   5.796
  217    HD1  PHE  28           HD1      PHE  28  -5.807   2.032   6.822
  218    HD2  PHE  28           HD2      PHE  28  -1.496   1.694   6.878
  219    HE1  PHE  28           HE1      PHE  28  -5.624   4.420   7.435
  220    HE2  PHE  28           HE2      PHE  28  -1.328   4.082   7.483
  221    HZ   PHE  28           HZ       PHE  28  -3.393   5.458   7.743
  222    H    GLN  29           H        GLN  29  -1.518  -1.341   6.869
  223    HA   GLN  29           HA       GLN  29  -0.242  -0.733   9.449
  224   1HB   GLN  29          1HB       GLN  29  -0.742  -3.287   9.071
  225   2HB   GLN  29          2HB       GLN  29   0.536  -3.205   7.862
  226   1HG   GLN  29          1HG       GLN  29   2.090  -2.295   9.578
  227   2HG   GLN  29          2HG       GLN  29   0.789  -2.374  10.781
  228   1HE2  GLN  29          2HE2      GLN  29   2.919  -5.681   9.934
  229   2HE2  GLN  29          1HE2      GLN  29   3.478  -4.008   9.804
  230    H    GLU  30           H        GLU  30   0.901   0.972   8.812
  231    HA   GLU  30           HA       GLU  30   2.111   1.259   6.199
  232   1HB   GLU  30          1HB       GLU  30   1.689   2.962   8.405
  233   2HB   GLU  30          2HB       GLU  30   3.439   2.658   8.445
  234   1HG   GLU  30          1HG       GLU  30   3.306   3.125   5.880
  235   2HG   GLU  30          2HG       GLU  30   1.749   3.870   6.238
  236    H    LEU  31           H        LEU  31   4.201   0.724   5.556
  237    HA   LEU  31           HA       LEU  31   5.876  -0.910   7.405
  238   1HB   LEU  31          1HB       LEU  31   5.157  -1.564   4.555
  239   2HB   LEU  31          2HB       LEU  31   6.357  -2.400   5.540
  240    HG   LEU  31           HG       LEU  31   3.356  -2.280   6.076
  241   1HD1  LEU  31          1HD1      LEU  31   5.226  -4.449   5.084
  242   2HD1  LEU  31          2HD1      LEU  31   3.506  -4.673   5.460
  243   3HD1  LEU  31          3HD1      LEU  31   3.987  -3.589   4.132
  244   1HD2  LEU  31          1HD2      LEU  31   5.518  -3.886   7.517
  245   2HD2  LEU  31          2HD2      LEU  31   4.528  -2.587   8.225
  246   3HD2  LEU  31          3HD2      LEU  31   3.763  -4.095   7.695
  247    HA   PRO  32           HA       PRO  32   8.502   2.389   5.620
  248   1HB   PRO  32          1HB       PRO  32  10.381   1.582   7.805
  249   2HB   PRO  32          2HB       PRO  32   9.718   3.185   7.424
  250   1HG   PRO  32          1HG       PRO  32   8.876   1.707   9.589
  251   2HG   PRO  32          2HG       PRO  32   7.775   2.789   8.678
  252   1HD   PRO  32          1HD       PRO  32   8.049  -0.217   8.437
  253   2HD   PRO  32          2HD       PRO  32   6.572   0.779   8.455
  254    H    ILE  33           H        ILE  33   9.421   1.608   3.709
  255    HA   ILE  33           HA       ILE  33  11.248  -0.710   3.794
  256    HB   ILE  33           HB       ILE  33  11.974   0.405   1.542
  257   1HG1  ILE  33          1HG1      ILE  33   9.100   1.107   1.208
  258   2HG1  ILE  33          2HG1      ILE  33  10.228   2.291   1.865
  259   1HG2  ILE  33          3HG2      ILE  33  11.072  -1.894   1.878
  260   2HG2  ILE  33          1HG2      ILE  33   9.440  -1.235   1.756
  261   3HG2  ILE  33          2HG2      ILE  33  10.509  -1.165   0.359
  262   1HD1  ILE  33          3HD1      ILE  33  11.739   2.021  -0.065
  263   2HD1  ILE  33          1HD1      ILE  33  10.608   0.850  -0.787
  264   3HD1  ILE  33          2HD1      ILE  33  10.135   2.542  -0.557
  265    H    ASP  34           H        ASP  34  11.536   2.767   4.209
  266    HA   ASP  34           HA       ASP  34  14.109   3.170   3.175
  267   1HB   ASP  34          1HB       ASP  34  12.659   5.020   3.693
  268   2HB   ASP  34          2HB       ASP  34  12.682   4.624   5.414
  269    H    GLY  35           H        GLY  35  13.273   2.235   6.551
  270   1HA   GLY  35          1HA       GLY  35  15.921   2.580   7.547
  271   2HA   GLY  35          2HA       GLY  35  14.620   1.664   8.313
  272    H    ASN  36           H        ASN  36  14.575  -0.031   5.581
  273    HA   ASN  36           HA       ASN  36  16.880  -1.782   6.212
  274   1HB   ASN  36          1HB       ASN  36  14.972  -3.607   5.816
  275   2HB   ASN  36          2HB       ASN  36  15.307  -2.899   7.394
  276   1HD2  ASN  36          2HD2      ASN  36  11.932  -1.370   5.619
  277   2HD2  ASN  36          1HD2      ASN  36  13.327  -1.756   4.604
  278    H    ALA  37           H        ALA  37  17.767  -0.886   4.245
  279    HA   ALA  37           HA       ALA  37  16.711  -1.113   1.698
  280   1HB   ALA  37          1HB       ALA  37  18.891  -0.092   2.182
  281   2HB   ALA  37          2HB       ALA  37  19.561  -1.685   2.609
  282   3HB   ALA  37          3HB       ALA  37  19.059  -1.344   0.943
  283    H    ALA  38           H        ALA  38  17.692  -3.704   3.797
  284    HA   ALA  38           HA       ALA  38  17.786  -5.858   1.936
  285   1HB   ALA  38          2HB       ALA  38  18.506  -6.067   4.304
  286   2HB   ALA  38          3HB       ALA  38  16.816  -5.895   4.832
  287   3HB   ALA  38          1HB       ALA  38  17.310  -7.299   3.869
  288    H    LYS  39           H        LYS  39  14.977  -4.899   4.032
  289    HA   LYS  39           HA       LYS  39  13.242  -6.497   2.444
  290   1HB   LYS  39          1HB       LYS  39  12.958  -5.720   4.908
  291   2HB   LYS  39          2HB       LYS  39  12.154  -4.300   4.215
  292   1HG   LYS  39          1HG       LYS  39  10.484  -5.733   3.129
  293   2HG   LYS  39          2HG       LYS  39  11.425  -7.181   3.500
  294   1HD   LYS  39          1HD       LYS  39   9.573  -7.146   4.971
  295   2HD   LYS  39          2HD       LYS  39  11.034  -6.841   5.922
  296   1HE   LYS  39          1HE       LYS  39  10.528  -4.446   6.010
  297   2HE   LYS  39          2HE       LYS  39   9.155  -4.674   4.906
  298   1HZ   LYS  39          1HZ       LYS  39   9.348  -5.889   7.577
  299   2HZ   LYS  39          2HZ       LYS  39   8.501  -4.512   7.232
  300   3HZ   LYS  39          3HZ       LYS  39   8.044  -5.947   6.568
  301    H    ARG  40           H        ARG  40  14.332  -3.187   1.982
  302    HA   ARG  40           HA       ARG  40  12.386  -2.364   0.093
  303   1HB   ARG  40          1HB       ARG  40  14.434  -1.144   1.186
  304   2HB   ARG  40          2HB       ARG  40  15.353  -1.773  -0.172
  305   1HG   ARG  40          1HG       ARG  40  12.925   0.033  -0.296
  306   2HG   ARG  40          2HG       ARG  40  14.589   0.562  -0.395
  307   1HD   ARG  40          1HD       ARG  40  12.904  -0.871  -2.458
  308   2HD   ARG  40          2HD       ARG  40  13.718   0.676  -2.570
  309    HE   ARG  40           HE       ARG  40  15.574  -1.545  -2.161
  310   1HH1  ARG  40          2HH2      ARG  40  13.827   0.274  -4.711
  311   2HH1  ARG  40          1HH2      ARG  40  14.861  -0.360  -5.968
  312   1HH2  ARG  40          2HH1      ARG  40  16.822  -2.326  -3.813
  313   2HH2  ARG  40          1HH1      ARG  40  16.579  -1.870  -5.468
  314    H    GLU  41           H        GLU  41  15.312  -4.456  -0.320
  315    HA   GLU  41           HA       GLU  41  14.823  -4.951  -3.108
  316   1HB   GLU  41          1HB       GLU  41  16.679  -5.956  -1.024
  317   2HB   GLU  41          2HB       GLU  41  16.085  -7.236  -2.073
  318   1HG   GLU  41          1HG       GLU  41  17.944  -6.570  -3.218
  319   2HG   GLU  41          2HG       GLU  41  16.705  -5.643  -4.053
  320    H    GLU  42           H        GLU  42  13.932  -6.763  -0.120
  321    HA   GLU  42           HA       GLU  42  12.704  -8.967  -1.302
  322   1HB   GLU  42          1HB       GLU  42  13.130  -8.564   1.168
  323   2HB   GLU  42          2HB       GLU  42  11.732  -7.499   1.163
  324   1HG   GLU  42          1HG       GLU  42  10.854  -9.438   1.995
  325   2HG   GLU  42          2HG       GLU  42  10.370  -9.518   0.305
  326    H    MET  43           H        MET  43  11.258  -5.803  -0.554
  327    HA   MET  43           HA       MET  43   8.631  -6.292  -1.369
  328   1HB   MET  43          1HB       MET  43   9.553  -4.425   0.008
  329   2HB   MET  43          2HB       MET  43  10.149  -3.665  -1.470
  330   1HG   MET  43          1HG       MET  43   7.225  -4.416  -1.121
  331   2HG   MET  43          2HG       MET  43   7.865  -2.976  -0.349
  332   1HE   MET  43          3HE       MET  43   9.745  -1.530  -2.087
  333   2HE   MET  43          1HE       MET  43   8.760  -0.569  -3.199
  334   3HE   MET  43          2HE       MET  43   8.313  -0.690  -1.477
  335    H    ILE  44           H        ILE  44  11.469  -5.776  -3.423
  336    HA   ILE  44           HA       ILE  44  10.039  -5.044  -5.800
  337    HB   ILE  44           HB       ILE  44  12.632  -6.616  -5.554
  338   1HG1  ILE  44          1HG1      ILE  44  12.169  -3.633  -5.946
  339   2HG1  ILE  44          2HG1      ILE  44  12.745  -4.401  -4.465
  340   1HG2  ILE  44          3HG2      ILE  44  11.611  -6.873  -7.797
  341   2HG2  ILE  44          1HG2      ILE  44  11.477  -5.108  -7.946
  342   3HG2  ILE  44          2HG2      ILE  44  13.060  -5.902  -7.892
  343   1HD1  ILE  44          1HD1      ILE  44  14.767  -5.199  -5.679
  344   2HD1  ILE  44          2HD1      ILE  44  14.255  -4.195  -7.068
  345   3HD1  ILE  44          3HD1      ILE  44  14.611  -3.439  -5.516
  346    H    LYS  45           H        LYS  45  10.876  -8.193  -4.276
  347    HA   LYS  45           HA       LYS  45   9.671  -9.714  -6.451
  348   1HB   LYS  45          1HB       LYS  45  10.623 -11.462  -5.539
  349   2HB   LYS  45          2HB       LYS  45  11.439 -10.330  -4.475
  350   1HG   LYS  45          1HG       LYS  45   9.572 -10.704  -2.781
  351   2HG   LYS  45          2HG       LYS  45   8.966 -11.996  -3.851
  352   1HD   LYS  45          1HD       LYS  45  11.170 -13.121  -3.734
  353   2HD   LYS  45          2HD       LYS  45  11.795 -11.780  -2.744
  354   1HE   LYS  45          1HE       LYS  45   9.975 -12.300  -1.055
  355   2HE   LYS  45          2HE       LYS  45   9.652 -13.795  -1.972
  356   1HZ   LYS  45          3HZ       LYS  45  11.987 -14.380  -1.609
  357   2HZ   LYS  45          1HZ       LYS  45  12.194 -12.970  -0.725
  358   3HZ   LYS  45          2HZ       LYS  45  11.237 -14.146  -0.171
  359    H    ARG  46           H        ARG  46   8.553  -8.382  -3.353
  360    HA   ARG  46           HA       ARG  46   5.956  -9.624  -3.391
  361   1HB   ARG  46          1HB       ARG  46   6.748  -6.881  -2.342
  362   2HB   ARG  46          2HB       ARG  46   5.244  -7.673  -2.003
  363   1HG   ARG  46          1HG       ARG  46   7.898  -8.844  -1.105
  364   2HG   ARG  46          2HG       ARG  46   6.946  -7.660  -0.213
  365   1HD   ARG  46          1HD       ARG  46   5.951  -9.385   0.773
  366   2HD   ARG  46          2HD       ARG  46   4.977  -9.475  -0.682
  367    HE   ARG  46           HE       ARG  46   5.970 -11.443  -1.246
  368   1HH1  ARG  46          2HH2      ARG  46   8.007  -9.875   1.263
  369   2HH1  ARG  46          1HH2      ARG  46   8.732 -11.349   1.790
  370   1HH2  ARG  46          2HH1      ARG  46   7.106 -13.397  -0.611
  371   2HH2  ARG  46          1HH1      ARG  46   8.371 -13.310   0.583
  372    H    SER  47           H        SER  47   7.237  -7.102  -5.528
  373    HA   SER  47           HA       SER  47   4.410  -6.506  -6.299
  374   1HB   SER  47          1HB       SER  47   5.039  -4.173  -6.368
  375   2HB   SER  47          2HB       SER  47   5.195  -4.837  -4.737
  376    HG   SER  47           HG       SER  47   7.421  -4.828  -4.960
  377    H    GLY  48           H        GLY  48   7.483  -7.267  -7.716
  378   1HA   GLY  48          1HA       GLY  48   8.163  -7.147  -9.946
  379   2HA   GLY  48          2HA       GLY  48   6.496  -6.806 -10.401
  380    H    ARG  49           H        ARG  49   8.001  -4.714  -7.987
  381    HA   ARG  49           HA       ARG  49   8.385  -2.473  -9.870
  382   1HB   ARG  49          1HB       ARG  49   6.316  -2.710  -7.674
  383   2HB   ARG  49          2HB       ARG  49   6.865  -1.133  -8.234
  384   1HG   ARG  49          1HG       ARG  49   5.948  -1.398 -10.384
  385   2HG   ARG  49          2HG       ARG  49   5.655  -3.148 -10.142
  386   1HD   ARG  49          1HD       ARG  49   4.151  -2.645  -8.273
  387   2HD   ARG  49          2HD       ARG  49   4.347  -0.908  -8.552
  388    HE   ARG  49           HE       ARG  49   3.113  -2.942 -10.375
  389   1HH1  ARG  49          2HH2      ARG  49   3.367   0.533  -9.490
  390   2HH1  ARG  49          1HH2      ARG  49   1.843   0.901 -10.254
  391   1HH2  ARG  49          2HH1      ARG  49   1.091  -2.365 -11.273
  392   2HH2  ARG  49          1HH1      ARG  49   0.417  -0.808 -10.939
  393    H    THR  50           H        THR  50   8.887  -0.509  -8.349
  394    HA   THR  50           HA       THR  50  10.677  -1.343  -6.126
  395    HB   THR  50           HB       THR  50  12.151   0.589  -7.208
  396    HG1  THR  50           HG1      THR  50  11.956   0.788  -9.355
  397   1HG2  THR  50          3HG2      THR  50  12.019  -2.210  -8.423
  398   2HG2  THR  50          1HG2      THR  50  13.377  -1.077  -8.578
  399   3HG2  THR  50          2HG2      THR  50  12.943  -1.714  -6.988
  400    H    THR  51           H        THR  51   8.727   1.244  -7.733
  401    HA   THR  51           HA       THR  51   9.441   3.154  -5.722
  402    HB   THR  51           HB       THR  51   7.601   4.492  -6.888
  403    HG1  THR  51           HG1      THR  51   7.774   2.389  -8.799
  404   1HG2  THR  51          3HG2      THR  51   9.899   3.341  -8.554
  405   2HG2  THR  51          1HG2      THR  51   8.973   4.801  -8.948
  406   3HG2  THR  51          2HG2      THR  51   9.963   4.750  -7.484
  407    H    VAL  52           H        VAL  52   8.337   3.927  -4.067
  408    HA   VAL  52           HA       VAL  52   5.900   2.505  -3.131
  409    HB   VAL  52           HB       VAL  52   6.389   4.127  -1.060
  410   1HG1  VAL  52          3HG1      VAL  52   6.374   1.658  -1.084
  411   2HG1  VAL  52          1HG1      VAL  52   8.070   1.682  -1.633
  412   3HG1  VAL  52          2HG1      VAL  52   7.618   2.355  -0.040
  413   1HG2  VAL  52          3HG2      VAL  52   9.185   3.871  -2.238
  414   2HG2  VAL  52          1HG2      VAL  52   8.255   5.367  -2.005
  415   3HG2  VAL  52          2HG2      VAL  52   8.739   4.383  -0.608
  416    HA   PRO  53           HA       PRO  53   4.520   3.095  -1.306
  417   1HB   PRO  53          1HB       PRO  53   1.937   3.433  -0.765
  418   2HB   PRO  53          2HB       PRO  53   3.116   4.701  -0.298
  419   1HG   PRO  53          1HG       PRO  53   1.334   4.593  -2.750
  420   2HG   PRO  53          2HG       PRO  53   1.589   5.970  -1.641
  421   1HD   PRO  53          1HD       PRO  53   2.935   5.547  -4.035
  422   2HD   PRO  53          2HD       PRO  53   3.597   6.546  -2.696
  423    H    GLN  54           H        GLN  54   3.186   1.126  -1.226
  424    HA   GLN  54           HA       GLN  54   1.587   0.454  -3.580
  425   1HB   GLN  54          1HB       GLN  54   3.914  -1.296  -2.644
  426   2HB   GLN  54          2HB       GLN  54   2.671  -1.729  -3.825
  427   1HG   GLN  54          1HG       GLN  54   3.465   0.312  -5.197
  428   2HG   GLN  54          2HG       GLN  54   4.853   0.380  -4.080
  429   1HE2  GLN  54          2HE2      GLN  54   6.503  -2.334  -5.671
  430   2HE2  GLN  54          1HE2      GLN  54   6.630  -0.787  -4.850
  431    H    ILE  55           H        ILE  55  -0.010  -1.278  -2.945
  432    HA   ILE  55           HA       ILE  55  -0.186  -1.447  -0.005
  433    HB   ILE  55           HB       ILE  55  -2.368  -0.791  -2.037
  434   1HG1  ILE  55          1HG1      ILE  55  -2.295   1.322  -0.264
  435   2HG1  ILE  55          2HG1      ILE  55  -0.617   0.875  -0.259
  436   1HG2  ILE  55          2HG2      ILE  55  -2.485  -1.009   1.008
  437   2HG2  ILE  55          3HG2      ILE  55  -3.788  -0.395  -0.020
  438   3HG2  ILE  55          1HG2      ILE  55  -3.301  -2.078  -0.156
  439   1HD1  ILE  55          3HD1      ILE  55  -0.589   1.189  -2.786
  440   2HD1  ILE  55          1HD1      ILE  55  -2.264   1.737  -2.662
  441   3HD1  ILE  55          2HD1      ILE  55  -0.979   2.645  -1.859
  442    H    PHE  56           H        PHE  56  -1.375  -3.268   0.713
  443    HA   PHE  56           HA       PHE  56  -1.609  -5.591  -1.096
  444   1HB   PHE  56          1HB       PHE  56  -0.038  -5.400   1.530
  445   2HB   PHE  56          2HB       PHE  56  -0.433  -6.901   0.712
  446    HD1  PHE  56           HD1      PHE  56   1.477  -3.673   0.257
  447    HD2  PHE  56           HD2      PHE  56   1.027  -7.796  -0.935
  448    HE1  PHE  56           HE1      PHE  56   3.413  -3.453  -1.270
  449    HE2  PHE  56           HE2      PHE  56   3.022  -7.607  -2.340
  450    HZ   PHE  56           HZ       PHE  56   4.198  -5.422  -2.589
  451    H    ILE  57           H        ILE  57  -3.205  -7.015  -0.327
  452    HA   ILE  57           HA       ILE  57  -4.428  -6.454   2.327
  453    HB   ILE  57           HB       ILE  57  -6.022  -6.931  -0.224
  454   1HG1  ILE  57          1HG1      ILE  57  -6.260  -4.662   1.799
  455   2HG1  ILE  57          2HG1      ILE  57  -5.309  -4.517   0.346
  456   1HG2  ILE  57          1HG2      ILE  57  -6.883  -6.959   2.712
  457   2HG2  ILE  57          2HG2      ILE  57  -8.016  -6.915   1.354
  458   3HG2  ILE  57          3HG2      ILE  57  -6.971  -8.307   1.560
  459   1HD1  ILE  57          2HD1      ILE  57  -7.387  -5.020  -1.018
  460   2HD1  ILE  57          3HD1      ILE  57  -8.323  -4.895   0.490
  461   3HD1  ILE  57          1HD1      ILE  57  -7.412  -3.502  -0.103
  462    H    ASP  58           H        ASP  58  -3.968  -8.203   3.465
  463    HA   ASP  58           HA       ASP  58  -3.577 -10.329   4.094
  464   1HB   ASP  58          1HB       ASP  58  -5.205 -11.241   1.729
  465   2HB   ASP  58          2HB       ASP  58  -4.911 -12.105   3.236
  466    H    ALA  59           H        ALA  59  -1.774  -9.018   2.557
  467    HA   ALA  59           HA       ALA  59   0.185  -9.093   1.464
  468   1HB   ALA  59          1HB       ALA  59   0.578 -11.165   2.848
  469   2HB   ALA  59          2HB       ALA  59   0.110 -12.107   1.411
  470   3HB   ALA  59          3HB       ALA  59   1.507 -11.032   1.342
  471    H    GLN  60           H        GLN  60  -2.657  -9.968  -0.045
  472    HA   GLN  60           HA       GLN  60  -1.505 -10.611  -2.674
  473   1HB   GLN  60          1HB       GLN  60  -4.311  -9.778  -1.883
  474   2HB   GLN  60          2HB       GLN  60  -3.816 -10.330  -3.474
  475   1HG   GLN  60          1HG       GLN  60  -3.436 -12.565  -2.680
  476   2HG   GLN  60          2HG       GLN  60  -3.513 -12.064  -0.986
  477   1HE2  GLN  60          2HE2      GLN  60  -7.046 -11.902  -0.714
  478   2HE2  GLN  60          1HE2      GLN  60  -5.519 -11.357  -0.087
  479    H    HIS  61           H        HIS  61  -0.325  -9.065  -3.514
  480    HA   HIS  61           HA       HIS  61  -0.278  -6.324  -2.927
  481   1HB   HIS  61          1HB       HIS  61   1.542  -7.653  -4.013
  482   2HB   HIS  61          2HB       HIS  61   0.498  -7.992  -5.367
  483    HD1  HIS  61           HD1      HIS  61   1.743  -6.921  -7.305
  484    HD2  HIS  61           HD2      HIS  61   1.403  -4.469  -3.855
  485    HE1  HIS  61           HE1      HIS  61   2.770  -4.666  -7.910
  486    HE2  HIS  61           HE2      HIS  61   2.594  -3.170  -5.837
  487    H    ILE  62           H        ILE  62  -1.502  -4.570  -3.618
  488    HA   ILE  62           HA       ILE  62  -3.693  -5.055  -5.464
  489    HB   ILE  62           HB       ILE  62  -2.790  -2.360  -4.386
  490   1HG1  ILE  62          1HG1      ILE  62  -3.024  -3.505  -2.404
  491   2HG1  ILE  62          2HG1      ILE  62  -4.508  -2.623  -2.601
  492   1HG2  ILE  62          2HG2      ILE  62  -5.443  -3.469  -5.406
  493   2HG2  ILE  62          3HG2      ILE  62  -5.241  -1.868  -4.683
  494   3HG2  ILE  62          1HG2      ILE  62  -4.428  -2.250  -6.204
  495   1HD1  ILE  62          2HD1      ILE  62  -4.232  -5.582  -3.196
  496   2HD1  ILE  62          3HD1      ILE  62  -4.923  -4.888  -1.742
  497   3HD1  ILE  62          1HD1      ILE  62  -5.728  -4.624  -3.294
  498    H    GLY  63           H        GLY  63  -1.000  -2.683  -5.392
  499   1HA   GLY  63          1HA       GLY  63   0.246  -2.836  -7.807
  500   2HA   GLY  63          2HA       GLY  63  -1.271  -1.948  -8.116
  501    H    GLY  64           H        GLY  64  -0.204   0.083  -8.330
  502   1HA   GLY  64          1HA       GLY  64   1.278   1.292  -6.081
  503   2HA   GLY  64          2HA       GLY  64   0.861   2.046  -7.621
  504    H    TYR  65           H        TYR  65   0.211   3.881  -6.207
  505    HA   TYR  65           HA       TYR  65  -2.039   3.651  -4.356
  506   1HB   TYR  65          1HB       TYR  65  -0.353   5.448  -3.977
  507   2HB   TYR  65          2HB       TYR  65  -0.612   6.035  -5.601
  508    HD1  TYR  65           HD2      TYR  65  -2.796   5.140  -2.665
  509    HD2  TYR  65           HD1      TYR  65  -1.938   7.988  -5.802
  510    HE1  TYR  65           HE2      TYR  65  -4.539   6.630  -1.799
  511    HE2  TYR  65           HE1      TYR  65  -3.640   9.518  -4.877
  512    HH   TYR  65           HH       TYR  65  -5.123   9.944  -2.996
  513    H    ASP  66           H        ASP  66  -1.577   4.988  -7.678
  514    HA   ASP  66           HA       ASP  66  -4.324   5.902  -7.846
  515   1HB   ASP  66          1HB       ASP  66  -2.284   5.252 -10.006
  516   2HB   ASP  66          2HB       ASP  66  -3.833   5.978 -10.307
  517    H    ASP  67           H        ASP  67  -2.633   2.942  -8.426
  518    HA   ASP  67           HA       ASP  67  -4.707   1.468  -9.777
  519   1HB   ASP  67          1HB       ASP  67  -2.552   0.339  -7.953
  520   2HB   ASP  67          2HB       ASP  67  -3.554  -0.560  -9.072
  521    H    LEU  68           H        LEU  68  -3.705   1.710  -6.269
  522    HA   LEU  68           HA       LEU  68  -5.843   0.124  -5.243
  523   1HB   LEU  68          1HB       LEU  68  -3.931   0.813  -3.838
  524   2HB   LEU  68          2HB       LEU  68  -4.425   2.502  -3.973
  525    HG   LEU  68           HG       LEU  68  -6.704   1.726  -2.878
  526   1HD1  LEU  68          3HD1      LEU  68  -4.845  -0.557  -2.161
  527   2HD1  LEU  68          1HD1      LEU  68  -6.359  -0.212  -1.325
  528   3HD1  LEU  68          2HD1      LEU  68  -6.397  -0.679  -3.030
  529   1HD2  LEU  68          2HD2      LEU  68  -5.112   3.189  -1.772
  530   2HD2  LEU  68          3HD2      LEU  68  -5.912   2.061  -0.674
  531   3HD2  LEU  68          1HD2      LEU  68  -4.233   1.764  -1.174
  532    H    TYR  69           H        TYR  69  -5.648   3.617  -5.765
  533    HA   TYR  69           HA       TYR  69  -8.156   4.388  -4.785
  534   1HB   TYR  69          1HB       TYR  69  -6.192   5.824  -5.468
  535   2HB   TYR  69          2HB       TYR  69  -6.598   5.554  -7.144
  536    HD1  TYR  69           HD1      TYR  69  -9.665   6.048  -7.140
  537    HD2  TYR  69           HD2      TYR  69  -6.378   8.091  -5.198
  538    HE1  TYR  69           HE1      TYR  69 -11.008   8.053  -6.998
  539    HE2  TYR  69           HE2      TYR  69  -7.751  10.121  -5.041
  540    HH   TYR  69           HH       TYR  69 -11.148  10.221  -6.224
  541    H    ALA  70           H        ALA  70  -7.224   3.381  -8.136
  542    HA   ALA  70           HA       ALA  70  -9.895   3.563  -9.185
  543   1HB   ALA  70          1HB       ALA  70  -7.791   3.555 -10.553
  544   2HB   ALA  70          2HB       ALA  70  -7.564   1.843 -10.152
  545   3HB   ALA  70          3HB       ALA  70  -8.978   2.367 -11.096
  546    H    LEU  71           H        LEU  71  -8.120   1.054  -7.488
  547    HA   LEU  71           HA       LEU  71  -9.979  -1.112  -8.017
  548   1HB   LEU  71          1HB       LEU  71  -7.490  -1.188  -7.215
  549   2HB   LEU  71          2HB       LEU  71  -8.128  -0.937  -5.607
  550    HG   LEU  71           HG       LEU  71  -7.591  -3.231  -6.050
  551   1HD1  LEU  71          3HD1      LEU  71  -9.382  -2.798  -4.521
  552   2HD1  LEU  71          1HD1      LEU  71 -10.543  -3.055  -5.860
  553   3HD1  LEU  71          2HD1      LEU  71  -9.505  -4.381  -5.309
  554   1HD2  LEU  71          3HD2      LEU  71  -7.939  -3.281  -8.484
  555   2HD2  LEU  71          1HD2      LEU  71  -8.700  -4.644  -7.659
  556   3HD2  LEU  71          2HD2      LEU  71  -9.694  -3.294  -8.232
  557    H    ASP  72           H        ASP  72  -9.582   1.303  -5.394
  558    HA   ASP  72           HA       ASP  72 -11.768   0.440  -3.746
  559   1HB   ASP  72          1HB       ASP  72 -10.147   2.004  -2.886
  560   2HB   ASP  72          2HB       ASP  72 -10.479   3.166  -4.161
  561    H    ALA  73           H        ALA  73 -11.557   3.043  -6.160
  562    HA   ALA  73           HA       ALA  73 -14.253   3.678  -6.312
  563   1HB   ALA  73          2HB       ALA  73 -12.420   5.031  -7.281
  564   2HB   ALA  73          3HB       ALA  73 -12.188   3.811  -8.553
  565   3HB   ALA  73          1HB       ALA  73 -13.692   4.743  -8.478
  566    H    ARG  74           H        ARG  74 -12.734   0.918  -7.776
  567    HA   ARG  74           HA       ARG  74 -15.010   0.271  -9.513
  568   1HB   ARG  74          1HB       ARG  74 -13.694  -1.314 -10.373
  569   2HB   ARG  74          2HB       ARG  74 -12.411  -0.477  -9.599
  570   1HG   ARG  74          1HG       ARG  74 -11.825  -2.465  -8.664
  571   2HG   ARG  74          2HG       ARG  74 -13.149  -2.259  -7.576
  572   1HD   ARG  74          1HD       ARG  74 -14.514  -3.243  -9.737
  573   2HD   ARG  74          2HD       ARG  74 -12.961  -3.989 -10.028
  574    HE   ARG  74           HE       ARG  74 -14.895  -4.526  -7.907
  575   1HH1  ARG  74          2HH2      ARG  74 -11.510  -5.055  -8.926
  576   2HH1  ARG  74          1HH2      ARG  74 -11.240  -6.345  -7.807
  577   1HH2  ARG  74          2HH1      ARG  74 -14.516  -6.258  -6.423
  578   2HH2  ARG  74          1HH1      ARG  74 -12.934  -6.972  -6.372
  579    H    GLY  75           H        GLY  75 -14.383  -0.033  -6.172
  580   1HA   GLY  75          1HA       GLY  75 -15.466  -1.059  -4.468
  581   2HA   GLY  75          2HA       GLY  75 -16.653  -1.733  -5.607
  582    H    GLY  76           H        GLY  76 -12.986  -2.068  -5.194
  583   1HA   GLY  76          1HA       GLY  76 -13.500  -4.960  -4.656
  584   2HA   GLY  76          2HA       GLY  76 -12.148  -4.380  -5.614
  585    H    LEU  77           H        LEU  77 -11.723  -2.005  -3.717
  586    HA   LEU  77           HA       LEU  77 -10.012  -3.392  -1.826
  587   1HB   LEU  77          1HB       LEU  77  -9.644  -1.048  -2.761
  588   2HB   LEU  77          2HB       LEU  77 -10.994  -0.482  -1.802
  589    HG   LEU  77           HG       LEU  77  -8.281  -1.408  -0.857
  590   1HD1  LEU  77          1HD1      LEU  77  -8.599   0.916  -1.659
  591   2HD1  LEU  77          2HD1      LEU  77  -9.901   1.152  -0.474
  592   3HD1  LEU  77          3HD1      LEU  77  -8.232   0.885   0.072
  593   1HD2  LEU  77          3HD2      LEU  77 -10.675  -0.868   0.947
  594   2HD2  LEU  77          1HD2      LEU  77  -9.651  -2.329   0.894
  595   3HD2  LEU  77          2HD2      LEU  77  -8.985  -0.823   1.488
  596    H    ASP  78           H        ASP  78 -13.058  -1.598  -1.719
  597    HA   ASP  78           HA       ASP  78 -13.418  -1.761   1.087
  598   1HB   ASP  78          1HB       ASP  78 -14.499  -0.117  -0.377
  599   2HB   ASP  78          2HB       ASP  78 -15.555  -1.362  -1.039
  600    HA   PRO  79           HA       PRO  79 -16.086  -5.682   0.621
  601   1HB   PRO  79          1HB       PRO  79 -16.115  -7.174  -1.677
  602   2HB   PRO  79          2HB       PRO  79 -17.240  -5.815  -1.366
  603   1HG   PRO  79          1HG       PRO  79 -14.621  -5.779  -2.895
  604   2HG   PRO  79          2HG       PRO  79 -16.220  -5.155  -3.422
  605   1HD   PRO  79          1HD       PRO  79 -14.386  -3.494  -2.370
  606   2HD   PRO  79          2HD       PRO  79 -16.104  -3.325  -1.930
  607    H    LEU  80           H        LEU  80 -12.774  -5.424  -0.457
  608    HA   LEU  80           HA       LEU  80 -12.192  -8.230   0.343
  609   1HB   LEU  80          1HB       LEU  80 -10.491  -5.984  -0.783
  610   2HB   LEU  80          2HB       LEU  80  -9.767  -7.384  -0.019
  611    HG   LEU  80           HG       LEU  80 -11.597  -7.598  -2.431
  612   1HD1  LEU  80          3HD1      LEU  80  -8.547  -7.702  -2.183
  613   2HD1  LEU  80          1HD1      LEU  80  -9.477  -8.041  -3.660
  614   3HD1  LEU  80          2HD1      LEU  80  -9.494  -6.418  -2.964
  615   1HD2  LEU  80          2HD2      LEU  80  -9.799  -9.645  -1.046
  616   2HD2  LEU  80          3HD2      LEU  80 -11.572  -9.682  -1.114
  617   3HD2  LEU  80          1HD2      LEU  80 -10.639  -9.890  -2.595
  618    H    LEU  81           H        LEU  81 -12.731  -5.238   1.908
  619    HA   LEU  81           HA       LEU  81 -10.672  -5.447   3.890
  620   1HB   LEU  81          1HB       LEU  81 -12.443  -3.542   3.157
  621   2HB   LEU  81          2HB       LEU  81 -13.340  -4.207   4.513
  622    HG   LEU  81           HG       LEU  81 -10.617  -2.854   4.459
  623   1HD1  LEU  81          1HD1      LEU  81 -12.609  -1.413   4.374
  624   2HD1  LEU  81          2HD1      LEU  81 -13.251  -2.177   5.841
  625   3HD1  LEU  81          3HD1      LEU  81 -11.769  -1.213   5.920
  626   1HD2  LEU  81          2HD2      LEU  81 -11.878  -4.064   6.938
  627   2HD2  LEU  81          3HD2      LEU  81 -10.358  -4.586   6.168
  628   3HD2  LEU  81          1HD2      LEU  81 -10.478  -2.992   6.907
  629    H    LYS  82           H        LYS  82 -13.482  -7.450   3.352
  630    HA   LYS  82           HA       LYS  82 -14.225  -7.976   6.063
  631   1HB   LYS  82          1HB       LYS  82 -14.886  -9.646   3.648
  632   2HB   LYS  82          2HB       LYS  82 -15.858  -9.348   5.055
  633   1HG   LYS  82          1HG       LYS  82 -15.313  -7.159   2.983
  634   2HG   LYS  82          2HG       LYS  82 -16.545  -8.377   2.782
  635   1HD   LYS  82          1HD       LYS  82 -17.493  -6.323   3.625
  636   2HD   LYS  82          2HD       LYS  82 -17.757  -7.684   4.710
  637   1HE   LYS  82          1HE       LYS  82 -15.332  -6.407   5.558
  638   2HE   LYS  82          2HE       LYS  82 -16.467  -5.107   5.194
  639   1HZ   LYS  82          2HZ       LYS  82 -17.080  -7.413   6.942
  640   2HZ   LYS  82          3HZ       LYS  82 -16.624  -5.951   7.515
  641   3HZ   LYS  82          1HZ       LYS  82 -18.055  -6.138   6.674
  642   1HB2  GTT  83          1HB2      GTT  83   8.253   7.305  -2.735
  643   2HB2  GTT  83          2HB2      GTT  83   9.535   8.514  -2.689
  644    HA2  GTT  83           HA2      GTT  83   9.643   8.573  -5.095
  645    HN2  GTT  83           HN2      GTT  83   7.320   6.719  -5.250
  646   1HG1  GTT  83          1HG1      GTT  83   5.593   7.287  -6.655
  647   2HG1  GTT  83          2HG1      GTT  83   6.648   7.160  -8.034
  648   1HB1  GTT  83          1HB1      GTT  83   6.132   9.591  -8.591
  649   2HB1  GTT  83          2HB1      GTT  83   4.984   9.580  -7.237
  650    HA1  GTT  83           HA1      GTT  83   3.946   7.518  -8.393
  651   1HN1  GTT  83          1HN1      GTT  83   5.147   8.671 -10.781
  652   2HN1  GTT  83          2HN1      GTT  83   5.765   7.287 -10.066
  653   3HN1  GTT  83          3HN1      GTT  83   4.232   7.330 -10.646
  654    HN3  GTT  83           HN3      GTT  83  11.513   7.439  -4.114
  655   1HA3  GTT  83          1HA3      GTT  83  12.738   5.504  -3.528
  656   2HA3  GTT  83          2HA3      GTT  83  11.302   4.493  -3.808
   
  No H/Q in entry =         656
  Start of MODEL    5
    1   1H    ALA   1          3H        ALA   1  -8.917  -8.232   3.717
    2   2H    ALA   1          1H        ALA   1  -8.576  -9.799   3.453
    3   3H    ALA   1          2H        ALA   1  -9.795  -9.396   4.486
    4    HA   ALA   1           HA       ALA   1  -8.278  -8.378   5.979
    5   1HB   ALA   1          3HB       ALA   1  -8.857 -10.920   5.976
    6   2HB   ALA   1          1HB       ALA   1  -7.161 -11.126   5.508
    7   3HB   ALA   1          2HB       ALA   1  -7.556 -10.296   7.020
    8    H    ASN   2           H        ASN   2  -5.696  -9.150   6.502
    9    HA   ASN   2           HA       ASN   2  -3.710  -8.161   6.415
   10   1HB   ASN   2          1HB       ASN   2  -3.715 -10.537   5.739
   11   2HB   ASN   2          2HB       ASN   2  -3.673 -10.027   4.075
   12   1HD2  ASN   2          2HD2      ASN   2  -0.234  -8.738   4.358
   13   2HD2  ASN   2          1HD2      ASN   2  -1.788  -8.358   3.651
   14    H    VAL   3           H        VAL   3  -4.632  -6.005   5.876
   15    HA   VAL   3           HA       VAL   3  -4.009  -5.072   3.137
   16    HB   VAL   3           HB       VAL   3  -5.417  -3.654   5.434
   17   1HG1  VAL   3          3HG1      VAL   3  -4.262  -2.091   3.874
   18   2HG1  VAL   3          1HG1      VAL   3  -5.096  -2.842   2.505
   19   3HG1  VAL   3          2HG1      VAL   3  -6.020  -1.969   3.747
   20   1HG2  VAL   3          1HG2      VAL   3  -6.474  -5.033   2.941
   21   2HG2  VAL   3          2HG2      VAL   3  -6.862  -5.416   4.629
   22   3HG2  VAL   3          3HG2      VAL   3  -7.429  -3.906   3.904
   23    H    GLU   4           H        GLU   4  -1.750  -4.844   3.067
   24    HA   GLU   4           HA       GLU   4  -0.533  -3.235   5.276
   25   1HB   GLU   4          1HB       GLU   4   1.166  -5.099   3.628
   26   2HB   GLU   4          2HB       GLU   4   1.507  -4.279   5.126
   27   1HG   GLU   4          1HG       GLU   4   0.200  -5.776   6.416
   28   2HG   GLU   4          2HG       GLU   4  -0.578  -6.471   4.986
   29    H    ILE   5           H        ILE   5   0.811  -1.515   4.565
   30    HA   ILE   5           HA       ILE   5   0.996  -1.060   1.645
   31    HB   ILE   5           HB       ILE   5  -0.875   0.236   2.195
   32   1HG1  ILE   5          1HG1      ILE   5   1.490   2.168   2.179
   33   2HG1  ILE   5          2HG1      ILE   5   0.998   1.273   0.777
   34   1HG2  ILE   5          2HG2      ILE   5  -0.581   0.356   4.690
   35   2HG2  ILE   5          3HG2      ILE   5   0.604   1.658   4.431
   36   3HG2  ILE   5          1HG2      ILE   5  -1.088   1.868   3.944
   37   1HD1  ILE   5          2HD1      ILE   5  -1.275   2.395   0.940
   38   2HD1  ILE   5          3HD1      ILE   5  -0.617   3.385   2.263
   39   3HD1  ILE   5          1HD1      ILE   5   0.099   3.484   0.653
   40    H    TYR   6           H        TYR   6   3.000  -0.909   1.102
   41    HA   TYR   6           HA       TYR   6   5.176  -0.337   2.967
   42   1HB   TYR   6          1HB       TYR   6   4.980  -0.797  -0.025
   43   2HB   TYR   6          2HB       TYR   6   6.457  -0.241   0.740
   44    HD1  TYR   6           HD2      TYR   6   3.906  -3.013   1.296
   45    HD2  TYR   6           HD1      TYR   6   8.034  -1.805   1.242
   46    HE1  TYR   6           HE2      TYR   6   4.583  -5.303   1.838
   47    HE2  TYR   6           HE1      TYR   6   8.733  -4.094   1.814
   48    HH   TYR   6           HH       TYR   6   7.889  -6.284   2.638
   49    H    THR   7           H        THR   7   6.100   1.593   3.305
   50    HA   THR   7           HA       THR   7   5.248   4.009   1.828
   51    HB   THR   7           HB       THR   7   4.800   5.037   4.086
   52    HG1  THR   7           HG1      THR   7   5.272   2.384   4.880
   53   1HG2  THR   7          1HG2      THR   7   2.956   4.172   2.645
   54   2HG2  THR   7          2HG2      THR   7   3.056   2.635   3.537
   55   3HG2  THR   7          3HG2      THR   7   2.585   4.083   4.381
   56    H    LYS   8           H        LYS   8   6.710   5.875   2.455
   57    HA   LYS   8           HA       LYS   8   9.191   5.102   3.759
   58   1HB   LYS   8          1HB       LYS   8   9.417   4.529   1.285
   59   2HB   LYS   8          2HB       LYS   8   9.144   6.235   0.900
   60   1HG   LYS   8          1HG       LYS   8  11.275   6.691   2.314
   61   2HG   LYS   8          2HG       LYS   8  11.499   4.930   2.291
   62   1HD   LYS   8          1HD       LYS   8  11.120   5.293  -0.343
   63   2HD   LYS   8          2HD       LYS   8  11.638   6.929   0.020
   64   1HE   LYS   8          1HE       LYS   8  13.169   4.346   0.601
   65   2HE   LYS   8          2HE       LYS   8  13.503   5.463  -0.719
   66   1HZ   LYS   8          2HZ       LYS   8  13.964   7.155   1.023
   67   2HZ   LYS   8          3HZ       LYS   8  13.861   6.025   2.175
   68   3HZ   LYS   8          1HZ       LYS   8  15.017   5.867   1.015
   69    H    GLU   9           H        GLU   9  10.210   7.104   4.469
   70    HA   GLU   9           HA       GLU   9   8.659   9.508   4.596
   71   1HB   GLU   9          1HB       GLU   9  10.687   8.310   6.128
   72   2HB   GLU   9          2HB       GLU   9  11.490   9.722   5.445
   73   1HG   GLU   9          1HG       GLU   9  10.400  10.093   7.687
   74   2HG   GLU   9          2HG       GLU   9   9.842  11.195   6.427
   75    H    THR  10           H        THR  10   9.710  11.681   4.246
   76    HA   THR  10           HA       THR  10   9.794  13.242   2.723
   77    HB   THR  10           HB       THR  10  12.072  13.100   3.452
   78    HG1  THR  10           HG1      THR  10  12.733  14.523   2.030
   79   1HG2  THR  10          3HG2      THR  10  12.652  11.462   0.969
   80   2HG2  THR  10          1HG2      THR  10  13.871  12.287   1.953
   81   3HG2  THR  10          2HG2      THR  10  12.905  10.996   2.676
   82    H    CYS  11           H        CYS  11   8.077  11.453   1.923
   83    HA   CYS  11           HA       CYS  11   8.259  11.364  -1.035
   84   1HB   CYS  11          1HB       CYS  11   9.346   9.328  -0.177
   85   2HB   CYS  11          2HB       CYS  11   7.964   9.032   0.871
   86    HA   PRO  12           HA       PRO  12   4.206  12.562   0.681
   87   1HB   PRO  12          1HB       PRO  12   3.272  14.009  -1.432
   88   2HB   PRO  12          2HB       PRO  12   4.284  14.673  -0.109
   89   1HG   PRO  12          1HG       PRO  12   5.179  13.742  -2.837
   90   2HG   PRO  12          2HG       PRO  12   5.694  15.202  -1.960
   91   1HD   PRO  12          1HD       PRO  12   7.227  12.974  -1.978
   92   2HD   PRO  12          2HD       PRO  12   7.073  13.913  -0.479
   93    H    TYR  13           H        TYR  13   4.703  11.169  -2.696
   94    HA   TYR  13           HA       TYR  13   2.021  10.329  -3.053
   95   1HB   TYR  13          1HB       TYR  13   3.871  10.429  -4.760
   96   2HB   TYR  13          2HB       TYR  13   4.698   9.128  -3.948
   97    HD1  TYR  13           HD2      TYR  13   1.299   9.830  -5.477
   98    HD2  TYR  13           HD1      TYR  13   4.632   7.136  -5.118
   99    HE1  TYR  13           HE2      TYR  13   0.254   8.319  -7.116
  100    HE2  TYR  13           HE1      TYR  13   3.596   5.597  -6.706
  101    HH   TYR  13           HH       TYR  13   0.462   6.328  -8.298
  102    H    SER  14           H        SER  14   4.636   8.934  -1.078
  103    HA   SER  14           HA       SER  14   3.258   6.483  -0.425
  104   1HB   SER  14          1HB       SER  14   5.483   6.387   0.099
  105   2HB   SER  14          2HB       SER  14   5.566   8.038   0.723
  106    HG   SER  14           HG       SER  14   5.339   7.253   2.622
  107    H    HIS  15           H        HIS  15   3.426   9.740   1.137
  108    HA   HIS  15           HA       HIS  15   1.738   8.869   3.334
  109   1HB   HIS  15          1HB       HIS  15   2.920  11.494   2.481
  110   2HB   HIS  15          2HB       HIS  15   1.540  11.512   3.566
  111    HD1  HIS  15           HD1      HIS  15   1.928  10.908   6.076
  112    HD2  HIS  15           HD2      HIS  15   5.161   9.929   3.493
  113    HE1  HIS  15           HE1      HIS  15   3.909  10.288   7.552
  114    HE2  HIS  15           HE2      HIS  15   5.897   9.819   6.009
  115    H    ARG  16           H        ARG  16   1.074  10.662   0.359
  116    HA   ARG  16           HA       ARG  16  -1.655  11.227   0.723
  117   1HB   ARG  16          1HB       ARG  16   0.242  10.829  -1.598
  118   2HB   ARG  16          2HB       ARG  16  -1.457  10.878  -1.965
  119   1HG   ARG  16          1HG       ARG  16  -1.596  13.022  -0.590
  120   2HG   ARG  16          2HG       ARG  16   0.176  13.007  -0.525
  121   1HD   ARG  16          1HD       ARG  16   0.275  13.116  -2.990
  122   2HD   ARG  16          2HD       ARG  16  -1.490  13.045  -3.088
  123    HE   ARG  16           HE       ARG  16   0.123  15.355  -2.613
  124   1HH1  ARG  16          2HH2      ARG  16  -3.133  13.992  -1.978
  125   2HH1  ARG  16          1HH2      ARG  16  -3.810  15.516  -1.556
  126   1HH2  ARG  16          2HH1      ARG  16  -0.732  17.303  -1.720
  127   2HH2  ARG  16          1HH1      ARG  16  -2.437  17.457  -1.476
  128    H    ALA  17           H        ALA  17  -0.148   8.075  -0.258
  129    HA   ALA  17           HA       ALA  17  -2.734   7.005  -0.856
  130   1HB   ALA  17          2HB       ALA  17  -0.155   5.618  -0.025
  131   2HB   ALA  17          3HB       ALA  17  -1.579   4.802  -0.718
  132   3HB   ALA  17          1HB       ALA  17  -0.674   5.990  -1.682
  133    H    LYS  18           H        LYS  18  -1.152   7.509   2.191
  134    HA   LYS  18           HA       LYS  18  -3.100   5.796   3.616
  135   1HB   LYS  18          1HB       LYS  18  -1.197   7.769   4.908
  136   2HB   LYS  18          2HB       LYS  18  -2.192   6.540   5.683
  137   1HG   LYS  18          1HG       LYS  18  -0.293   5.281   5.562
  138   2HG   LYS  18          2HG       LYS  18  -0.919   4.915   3.972
  139   1HD   LYS  18          1HD       LYS  18   1.095   5.603   3.217
  140   2HD   LYS  18          2HD       LYS  18   0.437   7.194   3.398
  141   1HE   LYS  18          1HE       LYS  18   2.343   5.760   5.286
  142   2HE   LYS  18          2HE       LYS  18   2.637   7.228   4.369
  143   1HZ   LYS  18          1HZ       LYS  18   0.948   8.295   5.874
  144   2HZ   LYS  18          2HZ       LYS  18   0.910   6.868   6.733
  145   3HZ   LYS  18          3HZ       LYS  18   2.297   7.699   6.645
  146    H    ALA  19           H        ALA  19  -2.701   9.232   2.696
  147    HA   ALA  19           HA       ALA  19  -4.806  10.221   4.309
  148   1HB   ALA  19          3HB       ALA  19  -3.255  11.639   2.898
  149   2HB   ALA  19          1HB       ALA  19  -4.187  11.141   1.464
  150   3HB   ALA  19          2HB       ALA  19  -4.970  12.058   2.754
  151    H    LEU  20           H        LEU  20  -4.937   8.379   1.280
  152    HA   LEU  20           HA       LEU  20  -7.810   8.558   0.979
  153   1HB   LEU  20          1HB       LEU  20  -6.302   7.799  -0.819
  154   2HB   LEU  20          2HB       LEU  20  -5.889   6.347   0.086
  155    HG   LEU  20           HG       LEU  20  -8.692   7.024  -0.931
  156   1HD1  LEU  20          3HD1      LEU  20  -7.043   6.636  -2.755
  157   2HD1  LEU  20          1HD1      LEU  20  -6.625   5.063  -2.023
  158   3HD1  LEU  20          2HD1      LEU  20  -8.263   5.353  -2.650
  159   1HD2  LEU  20          3HD2      LEU  20  -7.578   4.377   0.133
  160   2HD2  LEU  20          1HD2      LEU  20  -8.921   5.321   0.832
  161   3HD2  LEU  20          2HD2      LEU  20  -9.106   4.554  -0.728
  162    H    LEU  21           H        LEU  21  -5.788   5.873   2.293
  163    HA   LEU  21           HA       LEU  21  -8.055   4.395   3.136
  164   1HB   LEU  21          1HB       LEU  21  -5.138   4.388   4.037
  165   2HB   LEU  21          2HB       LEU  21  -6.307   3.233   4.647
  166    HG   LEU  21           HG       LEU  21  -6.184   3.447   1.663
  167   1HD1  LEU  21          2HD1      LEU  21  -3.933   2.159   3.231
  168   2HD1  LEU  21          3HD1      LEU  21  -4.220   2.009   1.478
  169   3HD1  LEU  21          1HD1      LEU  21  -3.819   3.578   2.164
  170   1HD2  LEU  21          1HD2      LEU  21  -6.322   1.127   3.641
  171   2HD2  LEU  21          2HD2      LEU  21  -7.671   1.826   2.711
  172   3HD2  LEU  21          3HD2      LEU  21  -6.367   0.964   1.882
  173    H    SER  22           H        SER  22  -6.277   6.919   4.854
  174    HA   SER  22           HA       SER  22  -7.628   6.560   7.375
  175   1HB   SER  22          1HB       SER  22  -5.328   7.641   6.797
  176   2HB   SER  22          2HB       SER  22  -6.247   9.093   6.379
  177    HG   SER  22           HG       SER  22  -5.328   8.376   8.653
  178    H    SER  23           H        SER  23  -8.146   8.697   4.431
  179    HA   SER  23           HA       SER  23 -10.458  10.016   5.390
  180   1HB   SER  23          1HB       SER  23  -9.183  10.509   3.284
  181   2HB   SER  23          2HB       SER  23  -9.933   9.095   2.533
  182    HG   SER  23           HG       SER  23 -11.809  10.097   2.477
  183    H    LYS  24           H        LYS  24  -9.946   6.718   4.345
  184    HA   LYS  24           HA       LYS  24 -12.835   6.093   4.444
  185   1HB   LYS  24          1HB       LYS  24 -10.465   4.551   3.328
  186   2HB   LYS  24          2HB       LYS  24 -12.163   4.015   3.313
  187   1HG   LYS  24          1HG       LYS  24 -12.678   6.285   2.222
  188   2HG   LYS  24          2HG       LYS  24 -10.956   6.447   1.922
  189   1HD   LYS  24          1HD       LYS  24 -10.993   4.409   0.528
  190   2HD   LYS  24          2HD       LYS  24 -12.688   4.153   0.940
  191   1HE   LYS  24          1HE       LYS  24 -12.711   6.803   0.118
  192   2HE   LYS  24          2HE       LYS  24 -11.446   6.118  -0.924
  193   1HZ   LYS  24          2HZ       LYS  24 -14.109   4.868  -0.645
  194   2HZ   LYS  24          3HZ       LYS  24 -13.735   5.964  -1.839
  195   3HZ   LYS  24          1HZ       LYS  24 -12.892   4.569  -1.739
  196    H    GLY  25           H        GLY  25 -10.529   6.275   6.738
  197   1HA   GLY  25          1HA       GLY  25 -10.474   5.536   8.862
  198   2HA   GLY  25          2HA       GLY  25 -12.135   4.975   8.631
  199    H    VAL  26           H        VAL  26  -9.338   3.717   6.797
  200    HA   VAL  26           HA       VAL  26 -10.320   1.043   7.457
  201    HB   VAL  26           HB       VAL  26  -8.057   1.925   5.635
  202   1HG1  VAL  26          1HG1      VAL  26  -9.606  -0.661   5.697
  203   2HG1  VAL  26          2HG1      VAL  26  -8.491  -0.194   4.401
  204   3HG1  VAL  26          3HG1      VAL  26  -7.862  -0.459   6.019
  205   1HG2  VAL  26          3HG2      VAL  26 -11.013   1.418   5.031
  206   2HG2  VAL  26          1HG2      VAL  26 -10.148   2.949   4.867
  207   3HG2  VAL  26          2HG2      VAL  26  -9.771   1.625   3.777
  208    H    SER  27           H        SER  27  -8.965  -0.651   8.104
  209    HA   SER  27           HA       SER  27  -6.719  -0.001   9.965
  210   1HB   SER  27          1HB       SER  27  -8.800  -2.158   9.924
  211   2HB   SER  27          2HB       SER  27  -7.145  -2.678  10.289
  212    HG   SER  27           HG       SER  27  -7.012  -1.331  11.952
  213    H    PHE  28           H        PHE  28  -4.972   0.167   8.685
  214    HA   PHE  28           HA       PHE  28  -4.299  -2.064   6.856
  215   1HB   PHE  28          1HB       PHE  28  -3.131  -0.365   5.439
  216   2HB   PHE  28          2HB       PHE  28  -4.877  -0.168   5.431
  217    HD1  PHE  28           HD1      PHE  28  -5.957   1.742   6.584
  218    HD2  PHE  28           HD2      PHE  28  -1.668   1.381   6.486
  219    HE1  PHE  28           HE1      PHE  28  -5.750   4.100   7.292
  220    HE2  PHE  28           HE2      PHE  28  -1.463   3.756   7.180
  221    HZ   PHE  28           HZ       PHE  28  -3.497   5.122   7.575
  222    H    GLN  29           H        GLN  29  -2.048  -2.577   7.013
  223    HA   GLN  29           HA       GLN  29  -0.718  -1.578   9.401
  224   1HB   GLN  29          1HB       GLN  29  -0.876  -4.096   9.025
  225   2HB   GLN  29          2HB       GLN  29   0.159  -3.894   7.629
  226   1HG   GLN  29          1HG       GLN  29   1.371  -4.538   9.754
  227   2HG   GLN  29          2HG       GLN  29   1.983  -3.093   8.964
  228   1HE2  GLN  29          2HE2      GLN  29   1.303  -0.924  11.689
  229   2HE2  GLN  29          1HE2      GLN  29   1.995  -1.114  10.087
  230    H    GLU  30           H        GLU  30  -0.074   0.277   8.781
  231    HA   GLU  30           HA       GLU  30   1.358   0.952   6.364
  232   1HB   GLU  30          1HB       GLU  30   0.559   2.379   8.664
  233   2HB   GLU  30          2HB       GLU  30   2.335   2.327   8.774
  234   1HG   GLU  30          1HG       GLU  30   2.464   3.158   6.436
  235   2HG   GLU  30          2HG       GLU  30   0.708   3.285   6.383
  236    H    LEU  31           H        LEU  31   3.479   0.665   5.822
  237    HA   LEU  31           HA       LEU  31   5.319  -0.816   7.652
  238   1HB   LEU  31          1HB       LEU  31   4.785  -1.411   4.751
  239   2HB   LEU  31          2HB       LEU  31   6.072  -2.108   5.728
  240    HG   LEU  31           HG       LEU  31   3.081  -2.461   6.187
  241   1HD1  LEU  31          3HD1      LEU  31   5.274  -4.225   5.081
  242   2HD1  LEU  31          1HD1      LEU  31   3.634  -4.778   5.470
  243   3HD1  LEU  31          2HD1      LEU  31   3.867  -3.542   4.207
  244   1HD2  LEU  31          1HD2      LEU  31   5.409  -3.862   7.571
  245   2HD2  LEU  31          2HD2      LEU  31   4.279  -2.716   8.337
  246   3HD2  LEU  31          3HD2      LEU  31   3.685  -4.258   7.739
  247    HA   PRO  32           HA       PRO  32   7.637   2.829   5.902
  248   1HB   PRO  32          1HB       PRO  32   9.212   3.164   8.130
  249   2HB   PRO  32          2HB       PRO  32   7.583   3.863   7.946
  250   1HG   PRO  32          1HG       PRO  32   8.475   1.591   9.645
  251   2HG   PRO  32          2HG       PRO  32   7.050   2.642   9.845
  252   1HD   PRO  32          1HD       PRO  32   7.210   0.002   8.723
  253   2HD   PRO  32          2HD       PRO  32   5.733   0.971   8.764
  254    H    ILE  33           H        ILE  33   8.792   1.795   4.359
  255    HA   ILE  33           HA       ILE  33  11.077   0.019   5.080
  256    HB   ILE  33           HB       ILE  33  11.482   0.134   2.632
  257   1HG1  ILE  33          1HG1      ILE  33   8.601   0.952   2.240
  258   2HG1  ILE  33          2HG1      ILE  33   9.931   2.123   2.206
  259   1HG2  ILE  33          2HG2      ILE  33  10.383  -1.710   3.979
  260   2HG2  ILE  33          3HG2      ILE  33   8.826  -1.099   3.437
  261   3HG2  ILE  33          1HG2      ILE  33  10.022  -1.719   2.252
  262   1HD1  ILE  33          2HD1      ILE  33  11.083   0.696   0.512
  263   2HD1  ILE  33          3HD1      ILE  33   9.594  -0.269   0.374
  264   3HD1  ILE  33          1HD1      ILE  33   9.610   1.464  -0.039
  265    H    ASP  34           H        ASP  34  10.622   3.299   5.462
  266    HA   ASP  34           HA       ASP  34  13.097   4.066   4.129
  267   1HB   ASP  34          1HB       ASP  34  11.177   5.675   4.616
  268   2HB   ASP  34          2HB       ASP  34  11.704   5.675   6.303
  269    H    GLY  35           H        GLY  35  14.945   5.046   5.459
  270   1HA   GLY  35          1HA       GLY  35  16.681   4.701   6.940
  271   2HA   GLY  35          2HA       GLY  35  15.492   4.138   8.124
  272    H    ASN  36           H        ASN  36  15.505   2.495   5.085
  273    HA   ASN  36           HA       ASN  36  17.088   0.165   5.899
  274   1HB   ASN  36          1HB       ASN  36  15.205  -0.562   7.047
  275   2HB   ASN  36          2HB       ASN  36  14.135   0.524   6.189
  276   1HD2  ASN  36          2HD2      ASN  36  13.026  -1.741   3.781
  277   2HD2  ASN  36          1HD2      ASN  36  13.495  -0.046   3.946
  278    H    ALA  37           H        ALA  37  17.330  -1.293   4.184
  279    HA   ALA  37           HA       ALA  37  16.036  -0.631   1.604
  280   1HB   ALA  37          2HB       ALA  37  18.939  -1.472   2.000
  281   2HB   ALA  37          3HB       ALA  37  18.097  -1.326   0.450
  282   3HB   ALA  37          1HB       ALA  37  18.376   0.125   1.445
  283    H    ALA  38           H        ALA  38  17.225  -2.990   3.866
  284    HA   ALA  38           HA       ALA  38  17.023  -5.400   2.609
  285   1HB   ALA  38          2HB       ALA  38  16.101  -4.654   5.431
  286   2HB   ALA  38          3HB       ALA  38  16.324  -6.311   4.851
  287   3HB   ALA  38          1HB       ALA  38  17.708  -5.207   4.938
  288    H    LYS  39           H        LYS  39  14.260  -3.954   4.410
  289    HA   LYS  39           HA       LYS  39  12.430  -5.852   3.263
  290   1HB   LYS  39          1HB       LYS  39  12.219  -4.670   5.489
  291   2HB   LYS  39          2HB       LYS  39  11.690  -3.240   4.615
  292   1HG   LYS  39          1HG       LYS  39   9.882  -4.738   3.551
  293   2HG   LYS  39          2HG       LYS  39  10.394  -6.008   4.653
  294   1HD   LYS  39          1HD       LYS  39   9.275  -3.287   5.446
  295   2HD   LYS  39          2HD       LYS  39   8.368  -4.796   5.362
  296   1HE   LYS  39          1HE       LYS  39  10.131  -5.735   7.033
  297   2HE   LYS  39          2HE       LYS  39  10.576  -4.040   7.315
  298   1HZ   LYS  39          1HZ       LYS  39   7.891  -5.219   7.652
  299   2HZ   LYS  39          2HZ       LYS  39   8.907  -4.858   8.876
  300   3HZ   LYS  39          3HZ       LYS  39   8.283  -3.634   7.978
  301    H    ARG  40           H        ARG  40  13.512  -2.649   2.097
  302    HA   ARG  40           HA       ARG  40  11.451  -2.473   0.081
  303   1HB   ARG  40          1HB       ARG  40  13.109  -0.614   0.718
  304   2HB   ARG  40          2HB       ARG  40  14.280  -1.407  -0.335
  305   1HG   ARG  40          1HG       ARG  40  11.485  -0.775  -1.359
  306   2HG   ARG  40          2HG       ARG  40  12.657   0.516  -1.196
  307   1HD   ARG  40          1HD       ARG  40  13.256  -1.912  -2.897
  308   2HD   ARG  40          2HD       ARG  40  12.353  -0.515  -3.479
  309    HE   ARG  40           HE       ARG  40  15.092  -0.269  -2.301
  310   1HH1  ARG  40          2HH2      ARG  40  12.840   0.650  -5.018
  311   2HH1  ARG  40          1HH2      ARG  40  14.072   1.720  -5.639
  312   1HH2  ARG  40          2HH1      ARG  40  16.444   1.260  -3.169
  313   2HH2  ARG  40          1HH1      ARG  40  16.001   2.177  -4.566
  314    H    GLU  41           H        GLU  41  14.660  -4.155   0.138
  315    HA   GLU  41           HA       GLU  41  14.476  -5.091  -2.546
  316   1HB   GLU  41          1HB       GLU  41  16.056  -5.927  -0.128
  317   2HB   GLU  41          2HB       GLU  41  16.099  -6.887  -1.607
  318   1HG   GLU  41          1HG       GLU  41  16.412  -3.938  -2.028
  319   2HG   GLU  41          2HG       GLU  41  17.700  -4.710  -1.100
  320    H    GLU  42           H        GLU  42  12.963  -6.291   0.459
  321    HA   GLU  42           HA       GLU  42  11.974  -8.691  -0.850
  322   1HB   GLU  42          1HB       GLU  42  12.196  -8.512   1.586
  323   2HB   GLU  42          2HB       GLU  42  10.935  -7.268   1.630
  324   1HG   GLU  42          1HG       GLU  42   9.262  -8.836   0.820
  325   2HG   GLU  42          2HG       GLU  42  10.499 -10.051   0.468
  326    H    MET  43           H        MET  43  10.745  -5.378  -0.381
  327    HA   MET  43           HA       MET  43   8.167  -5.645  -1.416
  328   1HB   MET  43          1HB       MET  43   9.290  -3.530  -0.444
  329   2HB   MET  43          2HB       MET  43   9.904  -3.262  -2.072
  330   1HG   MET  43          1HG       MET  43   7.489  -3.420  -2.899
  331   2HG   MET  43          2HG       MET  43   7.012  -3.363  -1.208
  332   1HE   MET  43          2HE       MET  43   9.762  -1.518  -3.470
  333   2HE   MET  43          3HE       MET  43   8.229  -1.466  -4.368
  334   3HE   MET  43          1HE       MET  43   8.935   0.028  -3.719
  335    H    ILE  44           H        ILE  44  11.270  -5.608  -3.134
  336    HA   ILE  44           HA       ILE  44  10.394  -5.064  -5.745
  337    HB   ILE  44           HB       ILE  44  12.670  -6.849  -4.832
  338   1HG1  ILE  44          1HG1      ILE  44  13.009  -4.656  -3.949
  339   2HG1  ILE  44          2HG1      ILE  44  14.114  -4.877  -5.279
  340   1HG2  ILE  44          2HG2      ILE  44  12.138  -5.651  -7.553
  341   2HG2  ILE  44          3HG2      ILE  44  13.701  -6.358  -7.021
  342   3HG2  ILE  44          1HG2      ILE  44  12.265  -7.365  -7.118
  343   1HD1  ILE  44          2HD1      ILE  44  12.486  -3.505  -6.702
  344   2HD1  ILE  44          3HD1      ILE  44  11.583  -3.180  -5.205
  345   3HD1  ILE  44          1HD1      ILE  44  13.259  -2.634  -5.366
  346    H    LYS  45           H        LYS  45  11.030  -8.497  -4.581
  347    HA   LYS  45           HA       LYS  45   9.470  -9.434  -6.816
  348   1HB   LYS  45          1HB       LYS  45  10.532 -10.829  -4.361
  349   2HB   LYS  45          2HB       LYS  45   9.549 -11.679  -5.563
  350   1HG   LYS  45          1HG       LYS  45  11.125 -11.282  -7.318
  351   2HG   LYS  45          2HG       LYS  45  12.001 -10.084  -6.362
  352   1HD   LYS  45          1HD       LYS  45  12.627 -11.913  -4.746
  353   2HD   LYS  45          2HD       LYS  45  11.921 -13.092  -5.862
  354   1HE   LYS  45          1HE       LYS  45  13.499 -12.607  -7.568
  355   2HE   LYS  45          2HE       LYS  45  13.890 -11.027  -6.884
  356   1HZ   LYS  45          3HZ       LYS  45  14.936 -12.175  -5.025
  357   2HZ   LYS  45          1HZ       LYS  45  14.694 -13.630  -5.777
  358   3HZ   LYS  45          2HZ       LYS  45  15.665 -12.469  -6.462
  359    H    ARG  46           H        ARG  46   8.527  -8.620  -3.500
  360    HA   ARG  46           HA       ARG  46   5.937  -9.760  -3.439
  361   1HB   ARG  46          1HB       ARG  46   7.155  -7.199  -2.382
  362   2HB   ARG  46          2HB       ARG  46   5.455  -7.470  -2.182
  363   1HG   ARG  46          1HG       ARG  46   7.492  -9.443  -1.123
  364   2HG   ARG  46          2HG       ARG  46   6.949  -8.017  -0.228
  365   1HD   ARG  46          1HD       ARG  46   4.560  -8.787  -0.596
  366   2HD   ARG  46          2HD       ARG  46   5.218 -10.322  -1.183
  367    HE   ARG  46           HE       ARG  46   6.467 -10.060   1.212
  368   1HH1  ARG  46          2HH2      ARG  46   3.041 -10.109   0.287
  369   2HH1  ARG  46          1HH2      ARG  46   2.478 -10.237   1.949
  370   1HH2  ARG  46          2HH1      ARG  46   5.684 -10.270   3.374
  371   2HH2  ARG  46          1HH1      ARG  46   3.996 -10.250   3.705
  372    H    SER  47           H        SER  47   6.983  -6.613  -4.825
  373    HA   SER  47           HA       SER  47   4.243  -6.206  -5.839
  374   1HB   SER  47          1HB       SER  47   4.920  -3.892  -6.183
  375   2HB   SER  47          2HB       SER  47   5.267  -4.403  -4.529
  376    HG   SER  47           HG       SER  47   7.463  -4.632  -5.131
  377    H    GLY  48           H        GLY  48   7.287  -7.245  -7.109
  378   1HA   GLY  48          1HA       GLY  48   8.088  -7.556  -9.194
  379   2HA   GLY  48          2HA       GLY  48   6.436  -7.455  -9.833
  380    H    ARG  49           H        ARG  49   7.970  -4.843  -7.901
  381    HA   ARG  49           HA       ARG  49   8.372  -3.065 -10.178
  382   1HB   ARG  49          1HB       ARG  49   5.941  -3.018  -8.409
  383   2HB   ARG  49          2HB       ARG  49   6.751  -1.466  -8.575
  384   1HG   ARG  49          1HG       ARG  49   6.507  -1.392 -10.901
  385   2HG   ARG  49          2HG       ARG  49   6.121  -3.100 -11.049
  386   1HD   ARG  49          1HD       ARG  49   4.265  -1.323  -9.471
  387   2HD   ARG  49          2HD       ARG  49   4.295  -1.213 -11.240
  388    HE   ARG  49           HE       ARG  49   4.108  -3.949 -10.557
  389   1HH1  ARG  49          2HH2      ARG  49   2.205  -0.997 -10.940
  390   2HH1  ARG  49          1HH2      ARG  49   0.703  -1.825 -11.219
  391   1HH2  ARG  49          2HH1      ARG  49   2.080  -5.073 -10.671
  392   2HH2  ARG  49          1HH1      ARG  49   0.633  -4.224 -11.028
  393    H    THR  50           H        THR  50   9.180  -0.859  -9.195
  394    HA   THR  50           HA       THR  50  11.081  -1.666  -7.064
  395    HB   THR  50           HB       THR  50  12.519   0.047  -8.131
  396    HG1  THR  50           HG1      THR  50  11.299   0.275 -10.448
  397   1HG2  THR  50          1HG2      THR  50  12.577  -2.340  -8.841
  398   2HG2  THR  50          2HG2      THR  50  11.420  -1.981 -10.136
  399   3HG2  THR  50          3HG2      THR  50  13.025  -1.225 -10.139
  400    H    THR  51           H        THR  51   8.549   0.741  -7.559
  401    HA   THR  51           HA       THR  51   9.711   2.395  -5.398
  402    HB   THR  51           HB       THR  51   8.286   4.176  -6.550
  403    HG1  THR  51           HG1      THR  51   6.916   2.970  -7.774
  404   1HG2  THR  51          3HG2      THR  51  10.498   2.841  -8.165
  405   2HG2  THR  51          1HG2      THR  51   9.903   4.491  -8.406
  406   3HG2  THR  51          2HG2      THR  51  10.723   4.056  -6.899
  407    H    VAL  52           H        VAL  52   8.302   3.503  -3.976
  408    HA   VAL  52           HA       VAL  52   5.970   1.914  -3.111
  409    HB   VAL  52           HB       VAL  52   6.050   3.924  -1.299
  410   1HG1  VAL  52          1HG1      VAL  52   7.939   1.567  -1.412
  411   2HG1  VAL  52          2HG1      VAL  52   7.471   2.458   0.067
  412   3HG1  VAL  52          3HG1      VAL  52   6.268   1.538  -0.848
  413   1HG2  VAL  52          2HG2      VAL  52   7.906   5.150  -2.448
  414   2HG2  VAL  52          3HG2      VAL  52   8.173   4.742  -0.756
  415   3HG2  VAL  52          1HG2      VAL  52   8.986   3.795  -2.013
  416    HA   PRO  53           HA       PRO  53   4.367   2.681  -1.416
  417   1HB   PRO  53          1HB       PRO  53   1.713   2.829  -1.106
  418   2HB   PRO  53          2HB       PRO  53   2.769   4.219  -0.704
  419   1HG   PRO  53          1HG       PRO  53   1.136   3.755  -3.206
  420   2HG   PRO  53          2HG       PRO  53   1.325   5.265  -2.247
  421   1HD   PRO  53          1HD       PRO  53   2.747   4.677  -4.553
  422   2HD   PRO  53          2HD       PRO  53   3.310   5.790  -3.270
  423    H    GLN  54           H        GLN  54   3.408   0.546  -1.148
  424    HA   GLN  54           HA       GLN  54   2.238  -0.653  -3.577
  425   1HB   GLN  54          1HB       GLN  54   4.689  -1.745  -2.094
  426   2HB   GLN  54          2HB       GLN  54   3.727  -2.674  -3.240
  427   1HG   GLN  54          1HG       GLN  54   5.296  -0.140  -3.859
  428   2HG   GLN  54          2HG       GLN  54   5.748  -1.779  -4.321
  429   1HE2  GLN  54          2HE2      GLN  54   3.892  -0.057  -7.196
  430   2HE2  GLN  54          1HE2      GLN  54   5.315   0.413  -6.238
  431    H    ILE  55           H        ILE  55   0.407  -1.817  -3.007
  432    HA   ILE  55           HA       ILE  55   0.062  -2.206  -0.116
  433    HB   ILE  55           HB       ILE  55  -2.044  -1.531  -2.213
  434   1HG1  ILE  55          1HG1      ILE  55  -2.233   0.517  -0.529
  435   2HG1  ILE  55          2HG1      ILE  55  -0.579   0.122  -0.155
  436   1HG2  ILE  55          3HG2      ILE  55  -2.207  -1.922   0.819
  437   2HG2  ILE  55          1HG2      ILE  55  -3.518  -1.273  -0.164
  438   3HG2  ILE  55          2HG2      ILE  55  -2.983  -2.923  -0.424
  439   1HD1  ILE  55          3HD1      ILE  55  -1.536   0.718  -2.980
  440   2HD1  ILE  55          1HD1      ILE  55  -0.970   1.970  -1.861
  441   3HD1  ILE  55          2HD1      ILE  55   0.140   0.711  -2.399
  442    H    PHE  56           H        PHE  56  -0.979  -4.070   0.478
  443    HA   PHE  56           HA       PHE  56  -1.230  -6.275  -1.456
  444   1HB   PHE  56          1HB       PHE  56   0.199  -6.312   1.251
  445   2HB   PHE  56          2HB       PHE  56  -0.109  -7.718   0.231
  446    HD1  PHE  56           HD1      PHE  56   1.841  -4.547   0.517
  447    HD2  PHE  56           HD2      PHE  56   1.206  -8.152  -1.771
  448    HE1  PHE  56           HE1      PHE  56   3.749  -3.956  -0.951
  449    HE2  PHE  56           HE2      PHE  56   3.141  -7.594  -3.177
  450    HZ   PHE  56           HZ       PHE  56   4.361  -5.444  -2.859
  451    H    ILE  57           H        ILE  57  -3.179  -7.354  -1.030
  452    HA   ILE  57           HA       ILE  57  -4.598  -6.818   1.523
  453    HB   ILE  57           HB       ILE  57  -5.820  -6.595  -1.251
  454   1HG1  ILE  57          1HG1      ILE  57  -5.297  -4.586   0.993
  455   2HG1  ILE  57          2HG1      ILE  57  -4.568  -4.600  -0.607
  456   1HG2  ILE  57          1HG2      ILE  57  -7.092  -6.573   1.534
  457   2HG2  ILE  57          2HG2      ILE  57  -7.934  -6.137   0.037
  458   3HG2  ILE  57          3HG2      ILE  57  -7.342  -7.775   0.275
  459   1HD1  ILE  57          3HD1      ILE  57  -6.855  -4.193  -1.595
  460   2HD1  ILE  57          1HD1      ILE  57  -7.433  -3.930   0.070
  461   3HD1  ILE  57          2HD1      ILE  57  -6.169  -2.887  -0.603
  462    H    ASP  58           H        ASP  58  -5.201  -8.708   2.384
  463    HA   ASP  58           HA       ASP  58  -5.020 -10.939   2.780
  464   1HB   ASP  58          1HB       ASP  58  -6.515 -10.862   0.173
  465   2HB   ASP  58          2HB       ASP  58  -6.165 -12.406   0.977
  466    H    ALA  59           H        ALA  59  -2.882  -9.718   1.886
  467    HA   ALA  59           HA       ALA  59  -0.761  -9.755   1.191
  468   1HB   ALA  59          2HB       ALA  59  -0.661 -11.875   2.398
  469   2HB   ALA  59          3HB       ALA  59  -1.111 -12.738   0.910
  470   3HB   ALA  59          1HB       ALA  59   0.436 -11.868   0.998
  471    H    GLN  60           H        GLN  60  -3.196 -10.375  -1.049
  472    HA   GLN  60           HA       GLN  60  -1.529 -10.930  -3.384
  473   1HB   GLN  60          1HB       GLN  60  -4.391  -9.923  -3.087
  474   2HB   GLN  60          2HB       GLN  60  -3.640 -10.368  -4.615
  475   1HG   GLN  60          1HG       GLN  60  -3.742 -12.627  -4.199
  476   2HG   GLN  60          2HG       GLN  60  -3.524 -12.467  -2.468
  477   1HE2  GLN  60          2HE2      GLN  60  -6.944 -12.459  -1.658
  478   2HE2  GLN  60          1HE2      GLN  60  -5.289 -12.398  -1.116
  479    H    HIS  61           H        HIS  61  -0.503  -9.427  -4.573
  480    HA   HIS  61           HA       HIS  61  -0.176  -6.748  -3.542
  481   1HB   HIS  61          1HB       HIS  61   1.617  -8.006  -4.738
  482   2HB   HIS  61          2HB       HIS  61   0.613  -8.061  -6.187
  483    HD1  HIS  61           HD1      HIS  61   1.558  -6.484  -7.952
  484    HD2  HIS  61           HD2      HIS  61   1.610  -5.001  -3.961
  485    HE1  HIS  61           HE1      HIS  61   2.675  -4.183  -8.020
  486    HE2  HIS  61           HE2      HIS  61   2.551  -3.217  -5.677
  487    H    ILE  62           H        ILE  62  -1.007  -4.824  -4.296
  488    HA   ILE  62           HA       ILE  62  -3.170  -4.915  -6.295
  489    HB   ILE  62           HB       ILE  62  -2.072  -2.503  -4.794
  490   1HG1  ILE  62          1HG1      ILE  62  -2.766  -3.880  -3.050
  491   2HG1  ILE  62          2HG1      ILE  62  -4.052  -2.730  -3.303
  492   1HG2  ILE  62          2HG2      ILE  62  -4.717  -2.963  -6.239
  493   2HG2  ILE  62          3HG2      ILE  62  -4.266  -1.517  -5.313
  494   3HG2  ILE  62          1HG2      ILE  62  -3.390  -1.932  -6.787
  495   1HD1  ILE  62          2HD1      ILE  62  -5.396  -4.432  -4.534
  496   2HD1  ILE  62          3HD1      ILE  62  -4.126  -5.639  -4.228
  497   3HD1  ILE  62          1HD1      ILE  62  -5.011  -4.930  -2.884
  498    H    GLY  63           H        GLY  63  -0.601  -2.460  -6.031
  499   1HA   GLY  63          1HA       GLY  63   0.765  -2.964  -8.464
  500   2HA   GLY  63          2HA       GLY  63  -0.683  -2.048  -8.857
  501    H    GLY  64           H        GLY  64  -0.912  -0.235  -6.724
  502   1HA   GLY  64          1HA       GLY  64   1.373   1.197  -5.949
  503   2HA   GLY  64          2HA       GLY  64   0.812   1.775  -7.521
  504    H    TYR  65           H        TYR  65   0.365   3.786  -6.136
  505    HA   TYR  65           HA       TYR  65  -1.842   3.670  -4.225
  506   1HB   TYR  65          1HB       TYR  65  -0.233   5.488  -3.941
  507   2HB   TYR  65          2HB       TYR  65  -0.455   6.000  -5.607
  508    HD1  TYR  65           HD2      TYR  65  -2.863   5.120  -2.814
  509    HD2  TYR  65           HD1      TYR  65  -1.655   8.037  -5.773
  510    HE1  TYR  65           HE2      TYR  65  -4.700   6.576  -2.124
  511    HE2  TYR  65           HE1      TYR  65  -3.464   9.519  -5.032
  512    HH   TYR  65           HH       TYR  65  -5.234   9.825  -3.557
  513    H    ASP  66           H        ASP  66  -1.465   4.940  -7.593
  514    HA   ASP  66           HA       ASP  66  -4.146   5.939  -7.713
  515   1HB   ASP  66          1HB       ASP  66  -2.311   5.087 -10.001
  516   2HB   ASP  66          2HB       ASP  66  -3.729   6.110 -10.105
  517    H    ASP  67           H        ASP  67  -2.589   2.960  -8.361
  518    HA   ASP  67           HA       ASP  67  -4.704   1.419  -9.591
  519   1HB   ASP  67          1HB       ASP  67  -2.332   0.583  -7.880
  520   2HB   ASP  67          2HB       ASP  67  -3.399  -0.524  -8.730
  521    H    LEU  68           H        LEU  68  -3.588   1.707  -6.129
  522    HA   LEU  68           HA       LEU  68  -5.670   0.106  -5.032
  523   1HB   LEU  68          1HB       LEU  68  -3.629   0.862  -3.759
  524   2HB   LEU  68          2HB       LEU  68  -4.280   2.500  -3.752
  525    HG   LEU  68           HG       LEU  68  -6.421   1.406  -2.642
  526   1HD1  LEU  68          2HD1      LEU  68  -4.301  -0.713  -2.197
  527   2HD1  LEU  68          3HD1      LEU  68  -5.785  -0.583  -1.238
  528   3HD1  LEU  68          1HD1      LEU  68  -5.885  -0.918  -2.970
  529   1HD2  LEU  68          3HD2      LEU  68  -3.870   1.789  -1.102
  530   2HD2  LEU  68          1HD2      LEU  68  -5.094   3.009  -1.505
  531   3HD2  LEU  68          2HD2      LEU  68  -5.521   1.679  -0.432
  532    H    TYR  69           H        TYR  69  -5.468   3.591  -5.568
  533    HA   TYR  69           HA       TYR  69  -7.916   4.416  -4.542
  534   1HB   TYR  69          1HB       TYR  69  -6.018   5.835  -5.335
  535   2HB   TYR  69          2HB       TYR  69  -6.451   5.482  -6.978
  536    HD1  TYR  69           HD2      TYR  69  -9.466   5.976  -4.918
  537    HD2  TYR  69           HD1      TYR  69  -6.298   8.023  -7.050
  538    HE1  TYR  69           HE2      TYR  69 -10.835   7.980  -5.007
  539    HE2  TYR  69           HE1      TYR  69  -7.686  10.066  -7.118
  540    HH   TYR  69           HH       TYR  69  -9.771  10.943  -6.734
  541    H    ALA  70           H        ALA  70  -7.177   3.220  -7.814
  542    HA   ALA  70           HA       ALA  70  -9.902   3.528  -8.805
  543   1HB   ALA  70          2HB       ALA  70  -7.910   3.247 -10.312
  544   2HB   ALA  70          3HB       ALA  70  -7.728   1.582  -9.742
  545   3HB   ALA  70          1HB       ALA  70  -9.182   2.054 -10.638
  546    H    LEU  71           H        LEU  71  -8.057   0.833  -7.414
  547    HA   LEU  71           HA       LEU  71 -10.025  -1.215  -7.549
  548   1HB   LEU  71          1HB       LEU  71  -7.469  -1.258  -6.949
  549   2HB   LEU  71          2HB       LEU  71  -7.992  -0.965  -5.303
  550    HG   LEU  71           HG       LEU  71  -7.545  -3.265  -5.654
  551   1HD1  LEU  71          3HD1      LEU  71  -9.342  -2.805  -4.127
  552   2HD1  LEU  71          1HD1      LEU  71 -10.495  -3.143  -5.455
  553   3HD1  LEU  71          2HD1      LEU  71  -9.414  -4.415  -4.867
  554   1HD2  LEU  71          1HD2      LEU  71  -7.969  -3.314  -8.124
  555   2HD2  LEU  71          2HD2      LEU  71  -8.593  -4.702  -7.231
  556   3HD2  LEU  71          3HD2      LEU  71  -9.712  -3.438  -7.760
  557    H    ASP  72           H        ASP  72  -9.335   1.211  -5.054
  558    HA   ASP  72           HA       ASP  72 -11.342   0.507  -3.152
  559   1HB   ASP  72          1HB       ASP  72  -9.494   1.854  -2.473
  560   2HB   ASP  72          2HB       ASP  72  -9.702   2.974  -3.798
  561    H    ALA  73           H        ALA  73 -11.243   3.053  -5.665
  562    HA   ALA  73           HA       ALA  73 -13.794   3.955  -5.127
  563   1HB   ALA  73          1HB       ALA  73 -12.096   5.280  -6.314
  564   2HB   ALA  73          2HB       ALA  73 -12.230   4.199  -7.721
  565   3HB   ALA  73          3HB       ALA  73 -13.606   5.231  -7.247
  566    H    ARG  74           H        ARG  74 -12.965   1.331  -7.269
  567    HA   ARG  74           HA       ARG  74 -15.660   1.029  -8.304
  568   1HB   ARG  74          1HB       ARG  74 -14.866  -0.983  -9.252
  569   2HB   ARG  74          2HB       ARG  74 -13.663   0.265  -9.502
  570   1HG   ARG  74          1HG       ARG  74 -12.264  -0.660  -7.778
  571   2HG   ARG  74          2HG       ARG  74 -13.443  -1.887  -7.351
  572   1HD   ARG  74          1HD       ARG  74 -12.567  -1.753 -10.230
  573   2HD   ARG  74          2HD       ARG  74 -11.367  -2.290  -9.051
  574    HE   ARG  74           HE       ARG  74 -13.594  -3.747  -8.383
  575   1HH1  ARG  74          2HH2      ARG  74 -11.900  -3.350 -11.536
  576   2HH1  ARG  74          1HH2      ARG  74 -12.054  -5.040 -11.904
  577   1HH2  ARG  74          2HH1      ARG  74 -13.497  -6.017  -8.885
  578   2HH2  ARG  74          1HH1      ARG  74 -12.979  -6.501 -10.488
  579    H    GLY  75           H        GLY  75 -14.116   0.285  -5.356
  580   1HA   GLY  75          1HA       GLY  75 -15.116  -0.486  -3.415
  581   2HA   GLY  75          2HA       GLY  75 -16.497  -1.084  -4.341
  582    H    GLY  76           H        GLY  76 -12.965  -1.988  -5.115
  583   1HA   GLY  76          1HA       GLY  76 -13.720  -4.765  -4.479
  584   2HA   GLY  76          2HA       GLY  76 -12.323  -4.197  -5.393
  585    H    LEU  77           H        LEU  77 -11.772  -1.990  -3.392
  586    HA   LEU  77           HA       LEU  77 -10.080  -3.499  -1.597
  587   1HB   LEU  77          1HB       LEU  77  -9.678  -1.122  -2.526
  588   2HB   LEU  77          2HB       LEU  77 -10.813  -0.538  -1.319
  589    HG   LEU  77           HG       LEU  77  -8.144  -1.853  -0.879
  590   1HD1  LEU  77          3HD1      LEU  77  -8.123   0.481  -1.531
  591   2HD1  LEU  77          1HD1      LEU  77  -9.205   0.900  -0.182
  592   3HD1  LEU  77          2HD1      LEU  77  -7.565   0.299   0.132
  593   1HD2  LEU  77          2HD2      LEU  77 -10.149  -1.083   1.278
  594   2HD2  LEU  77          3HD2      LEU  77  -9.389  -2.677   1.021
  595   3HD2  LEU  77          1HD2      LEU  77  -8.416  -1.330   1.579
  596    H    ASP  78           H        ASP  78 -12.881  -1.350  -1.110
  597    HA   ASP  78           HA       ASP  78 -13.031  -1.435   1.594
  598   1HB   ASP  78          1HB       ASP  78 -14.357   0.094   0.300
  599   2HB   ASP  78          2HB       ASP  78 -15.319  -1.208  -0.392
  600    HA   PRO  79           HA       PRO  79 -15.705  -5.254   2.059
  601   1HB   PRO  79          1HB       PRO  79 -16.249  -7.034   0.116
  602   2HB   PRO  79          2HB       PRO  79 -17.156  -5.495   0.263
  603   1HG   PRO  79          1HG       PRO  79 -14.790  -6.076  -1.560
  604   2HG   PRO  79          2HG       PRO  79 -16.374  -5.366  -2.001
  605   1HD   PRO  79          1HD       PRO  79 -14.191  -3.831  -1.445
  606   2HD   PRO  79          2HD       PRO  79 -15.833  -3.306  -0.994
  607    H    LEU  80           H        LEU  80 -12.774  -5.420   0.090
  608    HA   LEU  80           HA       LEU  80 -12.032  -8.132   0.995
  609   1HB   LEU  80          1HB       LEU  80 -10.576  -6.014  -0.634
  610   2HB   LEU  80          2HB       LEU  80  -9.792  -7.459  -0.029
  611    HG   LEU  80           HG       LEU  80 -12.085  -7.511  -2.005
  612   1HD1  LEU  80          3HD1      LEU  80  -9.075  -8.018  -2.281
  613   2HD1  LEU  80          1HD1      LEU  80 -10.264  -8.262  -3.564
  614   3HD1  LEU  80          2HD1      LEU  80  -9.948  -6.628  -2.947
  615   1HD2  LEU  80          2HD2      LEU  80 -10.306  -9.731  -0.920
  616   2HD2  LEU  80          3HD2      LEU  80 -12.059  -9.558  -0.630
  617   3HD2  LEU  80          1HD2      LEU  80 -11.461  -9.891  -2.256
  618    H    LEU  81           H        LEU  81 -11.987  -4.984   2.352
  619    HA   LEU  81           HA       LEU  81  -9.657  -5.109   3.936
  620   1HB   LEU  81          1HB       LEU  81 -11.155  -3.186   3.734
  621   2HB   LEU  81          2HB       LEU  81 -12.441  -4.042   4.562
  622    HG   LEU  81           HG       LEU  81 -11.199  -2.259   5.805
  623   1HD1  LEU  81          2HD1      LEU  81 -12.665  -3.846   6.939
  624   2HD1  LEU  81          3HD1      LEU  81 -11.300  -4.933   7.234
  625   3HD1  LEU  81          1HD1      LEU  81 -11.323  -3.321   7.962
  626   1HD2  LEU  81          1HD2      LEU  81  -8.891  -2.865   5.201
  627   2HD2  LEU  81          2HD2      LEU  81  -9.115  -2.810   6.956
  628   3HD2  LEU  81          3HD2      LEU  81  -9.021  -4.369   6.127
  629    H    LYS  82           H        LYS  82 -12.734  -6.791   4.274
  630    HA   LYS  82           HA       LYS  82 -12.557  -7.706   6.954
  631   1HB   LYS  82          1HB       LYS  82 -14.584  -7.539   5.424
  632   2HB   LYS  82          2HB       LYS  82 -14.003  -8.973   4.584
  633   1HG   LYS  82          1HG       LYS  82 -14.939  -8.748   7.472
  634   2HG   LYS  82          2HG       LYS  82 -15.758  -9.532   6.118
  635   1HD   LYS  82          1HD       LYS  82 -13.710 -11.112   6.013
  636   2HD   LYS  82          2HD       LYS  82 -13.304 -10.469   7.620
  637   1HE   LYS  82          1HE       LYS  82 -15.563 -11.135   8.434
  638   2HE   LYS  82          2HE       LYS  82 -15.941 -11.769   6.825
  639   1HZ   LYS  82          3HZ       LYS  82 -14.074 -13.337   7.128
  640   2HZ   LYS  82          1HZ       LYS  82 -13.892 -12.821   8.675
  641   3HZ   LYS  82          2HZ       LYS  82 -15.299 -13.548   8.190
  642   1HB2  GTT  83          1HB2      GTT  83   9.489   6.821  -2.372
  643   2HB2  GTT  83          2HB2      GTT  83  10.745   8.002  -2.729
  644    HA2  GTT  83           HA2      GTT  83  10.661   7.588  -5.035
  645    HN2  GTT  83           HN2      GTT  83   7.861   6.901  -4.533
  646   1HG1  GTT  83          1HG1      GTT  83   6.543   7.712  -6.243
  647   2HG1  GTT  83          2HG1      GTT  83   6.595   6.104  -6.955
  648   1HB1  GTT  83          1HB1      GTT  83   7.327   6.965  -9.069
  649   2HB1  GTT  83          2HB1      GTT  83   7.657   8.567  -8.412
  650    HA1  GTT  83           HA1      GTT  83   4.857   7.377  -8.387
  651   1HN1  GTT  83          1HN1      GTT  83   4.508   8.781 -10.308
  652   2HN1  GTT  83          2HN1      GTT  83   6.119   9.009 -10.445
  653   3HN1  GTT  83          3HN1      GTT  83   5.513   7.487 -10.644
  654    HN3  GTT  83           HN3      GTT  83  12.407   6.143  -4.090
  655   1HA3  GTT  83          1HA3      GTT  83  11.715   3.376  -3.457
  656   2HA3  GTT  83          2HA3      GTT  83  12.585   3.653  -4.979
   
  No H/Q in entry =         656
  Start of MODEL    6
    1   1H    ALA   1          3H        ALA   1  -7.956 -10.541   4.599
    2   2H    ALA   1          1H        ALA   1  -8.091 -11.425   5.987
    3   3H    ALA   1          2H        ALA   1  -9.201 -10.260   5.644
    4    HA   ALA   1           HA       ALA   1  -7.753  -8.528   5.896
    5   1HB   ALA   1          2HB       ALA   1  -8.782  -9.341   7.995
    6   2HB   ALA   1          3HB       ALA   1  -7.433 -10.472   8.223
    7   3HB   ALA   1          1HB       ALA   1  -7.161  -8.718   8.272
    8    H    ASN   2           H        ASN   2  -5.932  -8.094   4.716
    9    HA   ASN   2           HA       ASN   2  -3.555  -8.451   6.242
   10   1HB   ASN   2          1HB       ASN   2  -3.797 -10.587   4.694
   11   2HB   ASN   2          2HB       ASN   2  -3.362  -9.540   3.384
   12   1HD2  ASN   2          2HD2      ASN   2   0.059  -9.054   4.551
   13   2HD2  ASN   2          1HD2      ASN   2  -1.270  -8.211   3.758
   14    H    VAL   3           H        VAL   3  -4.546  -5.975   5.957
   15    HA   VAL   3           HA       VAL   3  -3.853  -4.904   3.307
   16    HB   VAL   3           HB       VAL   3  -4.956  -3.506   5.754
   17   1HG1  VAL   3          2HG1      VAL   3  -3.777  -2.005   4.137
   18   2HG1  VAL   3          3HG1      VAL   3  -4.823  -2.596   2.840
   19   3HG1  VAL   3          1HG1      VAL   3  -5.521  -1.689   4.196
   20   1HG2  VAL   3          2HG2      VAL   3  -6.612  -5.161   4.872
   21   2HG2  VAL   3          3HG2      VAL   3  -7.127  -3.489   4.685
   22   3HG2  VAL   3          1HG2      VAL   3  -6.506  -4.369   3.285
   23    H    GLU   4           H        GLU   4  -1.770  -4.392   2.947
   24    HA   GLU   4           HA       GLU   4  -0.081  -3.330   5.164
   25   1HB   GLU   4          1HB       GLU   4   0.679  -5.293   2.956
   26   2HB   GLU   4          2HB       GLU   4   1.842  -4.465   3.996
   27   1HG   GLU   4          1HG       GLU   4   0.941  -5.571   5.976
   28   2HG   GLU   4          2HG       GLU   4  -0.329  -6.337   5.015
   29    H    ILE   5           H        ILE   5   1.107  -1.475   4.414
   30    HA   ILE   5           HA       ILE   5   1.066  -0.757   1.536
   31    HB   ILE   5           HB       ILE   5  -0.859   0.360   2.179
   32   1HG1  ILE   5          1HG1      ILE   5   1.328   2.407   2.705
   33   2HG1  ILE   5          2HG1      ILE   5   0.941   1.797   1.101
   34   1HG2  ILE   5          1HG2      ILE   5  -0.688   0.023   4.681
   35   2HG2  ILE   5          2HG2      ILE   5   0.378   1.438   4.732
   36   3HG2  ILE   5          3HG2      ILE   5  -1.302   1.588   4.193
   37   1HD1  ILE   5          2HD1      ILE   5  -0.996   3.328   2.898
   38   2HD1  ILE   5          3HD1      ILE   5  -0.020   4.014   1.614
   39   3HD1  ILE   5          1HD1      ILE   5  -1.278   2.814   1.218
   40    H    TYR   6           H        TYR   6   3.080  -0.525   0.995
   41    HA   TYR   6           HA       TYR   6   5.166  -0.003   3.002
   42   1HB   TYR   6          1HB       TYR   6   5.105  -0.743   0.069
   43   2HB   TYR   6          2HB       TYR   6   6.563  -0.082   0.803
   44    HD1  TYR   6           HD2      TYR   6   4.064  -2.878   1.222
   45    HD2  TYR   6           HD1      TYR   6   7.955  -1.315   2.183
   46    HE1  TYR   6           HE2      TYR   6   4.655  -5.024   2.304
   47    HE2  TYR   6           HE1      TYR   6   8.581  -3.465   3.228
   48    HH   TYR   6           HH       TYR   6   6.228  -6.127   3.660
   49    H    THR   7           H        THR   7   6.190   1.891   3.346
   50    HA   THR   7           HA       THR   7   5.554   4.237   1.647
   51    HB   THR   7           HB       THR   7   5.203   5.426   3.866
   52    HG1  THR   7           HG1      THR   7   4.787   4.193   5.656
   53   1HG2  THR   7          1HG2      THR   7   3.304   4.632   2.392
   54   2HG2  THR   7          2HG2      THR   7   3.269   3.134   3.351
   55   3HG2  THR   7          3HG2      THR   7   2.892   4.672   4.114
   56    H    LYS   8           H        LYS   8   7.079   6.091   2.145
   57    HA   LYS   8           HA       LYS   8   9.421   5.378   3.683
   58   1HB   LYS   8          1HB       LYS   8  11.061   5.927   1.973
   59   2HB   LYS   8          2HB       LYS   8  10.108   4.535   1.506
   60   1HG   LYS   8          1HG       LYS   8   8.786   5.973  -0.037
   61   2HG   LYS   8          2HG       LYS   8   9.790   7.359   0.413
   62   1HD   LYS   8          1HD       LYS   8  11.102   4.803  -0.585
   63   2HD   LYS   8          2HD       LYS   8  10.401   5.944  -1.738
   64   1HE   LYS   8          1HE       LYS   8  11.856   7.595  -1.335
   65   2HE   LYS   8          2HE       LYS   8  12.202   7.099   0.335
   66   1HZ   LYS   8          2HZ       LYS   8  13.110   5.434  -1.907
   67   2HZ   LYS   8          3HZ       LYS   8  13.953   6.775  -1.442
   68   3HZ   LYS   8          1HZ       LYS   8  13.751   5.604  -0.362
   69    H    GLU   9           H        GLU   9  10.508   7.250   4.317
   70    HA   GLU   9           HA       GLU   9   9.173   9.441   5.011
   71   1HB   GLU   9          1HB       GLU   9  11.436   8.667   5.797
   72   2HB   GLU   9          2HB       GLU   9  12.159   9.396   4.370
   73   1HG   GLU   9          1HG       GLU   9  12.486  10.939   6.127
   74   2HG   GLU   9          2HG       GLU   9  11.151  11.631   5.200
   75    H    THR  10           H        THR  10  11.651   9.853   2.421
   76    HA   THR  10           HA       THR  10  10.528  12.383   1.621
   77    HB   THR  10           HB       THR  10  12.860  12.151   1.711
   78    HG1  THR  10           HG1      THR  10  13.517  12.706  -0.327
   79   1HG2  THR  10          3HG2      THR  10  12.676   9.761  -0.154
   80   2HG2  THR  10          1HG2      THR  10  14.173  10.629   0.201
   81   3HG2  THR  10          2HG2      THR  10  13.314   9.808   1.502
   82    H    CYS  11           H        CYS  11   8.323  11.382   1.212
   83    HA   CYS  11           HA       CYS  11   7.911  11.001  -1.636
   84   1HB   CYS  11          1HB       CYS  11   8.730   8.772  -0.913
   85   2HB   CYS  11          2HB       CYS  11   7.465   8.701   0.307
   86    HA   PRO  12           HA       PRO  12   4.157  12.651   0.467
   87   1HB   PRO  12          1HB       PRO  12   3.215  14.161  -1.545
   88   2HB   PRO  12          2HB       PRO  12   4.495  14.738  -0.419
   89   1HG   PRO  12          1HG       PRO  12   4.841  13.571  -3.180
   90   2HG   PRO  12          2HG       PRO  12   5.617  15.031  -2.508
   91   1HD   PRO  12          1HD       PRO  12   6.911  12.627  -2.550
   92   2HD   PRO  12          2HD       PRO  12   7.120  13.725  -1.188
   93    H    TYR  13           H        TYR  13   4.567  11.268  -2.872
   94    HA   TYR  13           HA       TYR  13   1.904  10.400  -3.229
   95   1HB   TYR  13          1HB       TYR  13   3.768  10.522  -4.887
   96   2HB   TYR  13          2HB       TYR  13   4.498   9.107  -4.143
   97    HD1  TYR  13           HD2      TYR  13   1.325  10.349  -5.781
   98    HD2  TYR  13           HD1      TYR  13   4.017   7.050  -5.114
   99    HE1  TYR  13           HE2      TYR  13   0.096   9.019  -7.446
  100    HE2  TYR  13           HE1      TYR  13   2.707   5.660  -6.689
  101    HH   TYR  13           HH       TYR  13  -0.193   6.942  -8.388
  102    H    SER  14           H        SER  14   4.377   9.161  -1.061
  103    HA   SER  14           HA       SER  14   3.011   6.666  -0.426
  104   1HB   SER  14          1HB       SER  14   5.204   6.487   0.162
  105   2HB   SER  14          2HB       SER  14   5.384   8.175   0.552
  106    HG   SER  14           HG       SER  14   5.225   7.721   2.500
  107    H    HIS  15           H        HIS  15   3.263   9.942   1.098
  108    HA   HIS  15           HA       HIS  15   1.453   9.423   3.239
  109   1HB   HIS  15          1HB       HIS  15   2.199  12.008   1.822
  110   2HB   HIS  15          2HB       HIS  15   1.052  11.952   3.152
  111    HD1  HIS  15           HD1      HIS  15   1.994  11.074   5.592
  112    HD2  HIS  15           HD2      HIS  15   4.823  11.848   2.511
  113    HE1  HIS  15           HE1      HIS  15   4.250  11.311   6.699
  114    HE2  HIS  15           HE2      HIS  15   5.986  11.766   4.872
  115    H    ARG  16           H        ARG  16   0.798  10.702   0.008
  116    HA   ARG  16           HA       ARG  16  -1.945  11.085   0.029
  117   1HB   ARG  16          1HB       ARG  16   0.041  10.037  -2.003
  118   2HB   ARG  16          2HB       ARG  16  -1.657  10.063  -2.405
  119   1HG   ARG  16          1HG       ARG  16  -1.802  12.455  -1.909
  120   2HG   ARG  16          2HG       ARG  16  -0.077  12.509  -1.499
  121   1HD   ARG  16          1HD       ARG  16   0.607  12.109  -3.708
  122   2HD   ARG  16          2HD       ARG  16  -0.923  11.361  -4.176
  123    HE   ARG  16           HE       ARG  16  -0.213  14.146  -4.230
  124   1HH1  ARG  16          2HH2      ARG  16  -3.034  12.026  -3.744
  125   2HH1  ARG  16          1HH2      ARG  16  -4.097  12.924  -4.760
  126   1HH2  ARG  16          2HH1      ARG  16  -1.662  15.411  -5.524
  127   2HH2  ARG  16          1HH1      ARG  16  -3.354  15.012  -5.595
  128    H    ALA  17           H        ALA  17  -0.295   7.844  -0.360
  129    HA   ALA  17           HA       ALA  17  -2.864   6.597  -0.710
  130   1HB   ALA  17          2HB       ALA  17  -0.141   5.437  -0.016
  131   2HB   ALA  17          3HB       ALA  17  -1.571   4.480  -0.493
  132   3HB   ALA  17          1HB       ALA  17  -0.821   5.609  -1.633
  133    H    LYS  18           H        LYS  18  -1.162   7.450   2.191
  134    HA   LYS  18           HA       LYS  18  -2.997   5.789   3.817
  135   1HB   LYS  18          1HB       LYS  18  -1.269   8.021   4.917
  136   2HB   LYS  18          2HB       LYS  18  -2.118   6.728   5.760
  137   1HG   LYS  18          1HG       LYS  18  -0.051   5.745   5.721
  138   2HG   LYS  18          2HG       LYS  18  -0.665   5.141   4.198
  139   1HD   LYS  18          1HD       LYS  18   1.147   6.056   3.203
  140   2HD   LYS  18          2HD       LYS  18   0.374   7.591   3.431
  141   1HE   LYS  18          1HE       LYS  18   2.572   6.349   5.104
  142   2HE   LYS  18          2HE       LYS  18   2.568   7.904   4.284
  143   1HZ   LYS  18          2HZ       LYS  18   0.875   8.592   6.010
  144   2HZ   LYS  18          3HZ       LYS  18   1.126   7.134   6.743
  145   3HZ   LYS  18          1HZ       LYS  18   2.348   8.187   6.631
  146    H    ALA  19           H        ALA  19  -2.706   9.209   2.766
  147    HA   ALA  19           HA       ALA  19  -4.993  10.183   4.131
  148   1HB   ALA  19          3HB       ALA  19  -3.318  11.530   2.719
  149   2HB   ALA  19          1HB       ALA  19  -4.190  10.959   1.283
  150   3HB   ALA  19          2HB       ALA  19  -5.033  11.934   2.488
  151    H    LEU  20           H        LEU  20  -4.738   8.277   1.163
  152    HA   LEU  20           HA       LEU  20  -7.572   8.276   0.598
  153   1HB   LEU  20          1HB       LEU  20  -6.075   7.700  -1.098
  154   2HB   LEU  20          2HB       LEU  20  -5.260   6.452  -0.191
  155    HG   LEU  20           HG       LEU  20  -6.668   5.765  -2.133
  156   1HD1  LEU  20          3HD1      LEU  20  -6.048   4.157  -0.323
  157   2HD1  LEU  20          1HD1      LEU  20  -7.680   4.376   0.358
  158   3HD1  LEU  20          2HD1      LEU  20  -7.481   3.737  -1.275
  159   1HD2  LEU  20          2HD2      LEU  20  -8.575   7.247  -1.758
  160   2HD2  LEU  20          3HD2      LEU  20  -9.069   5.531  -1.847
  161   3HD2  LEU  20          1HD2      LEU  20  -8.972   6.350  -0.276
  162    H    LEU  21           H        LEU  21  -5.555   5.715   2.072
  163    HA   LEU  21           HA       LEU  21  -7.727   4.115   2.842
  164   1HB   LEU  21          1HB       LEU  21  -4.964   4.438   4.022
  165   2HB   LEU  21          2HB       LEU  21  -6.124   3.303   4.712
  166    HG   LEU  21           HG       LEU  21  -5.804   3.184   1.730
  167   1HD1  LEU  21          3HD1      LEU  21  -3.503   3.436   2.415
  168   2HD1  LEU  21          1HD1      LEU  21  -3.680   2.101   3.575
  169   3HD1  LEU  21          2HD1      LEU  21  -3.826   1.812   1.813
  170   1HD2  LEU  21          3HD2      LEU  21  -6.065   1.088   3.922
  171   2HD2  LEU  21          1HD2      LEU  21  -7.337   1.656   2.809
  172   3HD2  LEU  21          2HD2      LEU  21  -5.965   0.728   2.195
  173    H    SER  22           H        SER  22  -6.250   6.724   4.877
  174    HA   SER  22           HA       SER  22  -8.136   6.373   6.995
  175   1HB   SER  22          1HB       SER  22  -6.432   8.788   6.262
  176   2HB   SER  22          2HB       SER  22  -7.214   8.477   7.827
  177    HG   SER  22           HG       SER  22  -6.008   6.416   7.767
  178    H    SER  23           H        SER  23  -8.245   8.478   4.003
  179    HA   SER  23           HA       SER  23 -10.644   9.818   4.760
  180   1HB   SER  23          1HB       SER  23  -9.273  10.523   2.886
  181   2HB   SER  23          2HB       SER  23  -9.518   8.983   2.051
  182    HG   SER  23           HG       SER  23 -11.577  10.830   2.696
  183    H    LYS  24           H        LYS  24 -10.050   6.553   3.445
  184    HA   LYS  24           HA       LYS  24 -12.926   5.911   3.263
  185   1HB   LYS  24          1HB       LYS  24 -10.479   4.126   2.985
  186   2HB   LYS  24          2HB       LYS  24 -12.128   3.726   2.500
  187   1HG   LYS  24          1HG       LYS  24 -10.395   5.896   1.268
  188   2HG   LYS  24          2HG       LYS  24 -10.629   4.291   0.610
  189   1HD   LYS  24          1HD       LYS  24 -13.036   4.811   0.346
  190   2HD   LYS  24          2HD       LYS  24 -12.757   6.439   0.984
  191   1HE   LYS  24          1HE       LYS  24 -11.377   7.076  -0.850
  192   2HE   LYS  24          2HE       LYS  24 -11.143   5.389  -1.348
  193   1HZ   LYS  24          3HZ       LYS  24 -13.760   6.734  -1.528
  194   2HZ   LYS  24          1HZ       LYS  24 -12.710   6.557  -2.795
  195   3HZ   LYS  24          2HZ       LYS  24 -13.345   5.243  -2.051
  196    H    GLY  25           H        GLY  25 -10.874   6.264   5.878
  197   1HA   GLY  25          1HA       GLY  25 -10.884   5.549   8.018
  198   2HA   GLY  25          2HA       GLY  25 -12.520   4.950   7.733
  199    H    VAL  26           H        VAL  26  -9.765   3.679   5.867
  200    HA   VAL  26           HA       VAL  26 -10.461   0.988   6.810
  201    HB   VAL  26           HB       VAL  26  -8.516   2.038   4.753
  202   1HG1  VAL  26          1HG1      VAL  26  -9.290  -0.842   5.223
  203   2HG1  VAL  26          2HG1      VAL  26  -8.448  -0.251   3.792
  204   3HG1  VAL  26          3HG1      VAL  26  -7.661  -0.128   5.351
  205   1HG2  VAL  26          2HG2      VAL  26 -10.995   2.301   4.214
  206   2HG2  VAL  26          3HG2      VAL  26 -10.123   1.282   3.064
  207   3HG2  VAL  26          1HG2      VAL  26 -11.149   0.549   4.316
  208    H    SER  27           H        SER  27  -8.920  -0.416   7.473
  209    HA   SER  27           HA       SER  27  -6.816   0.584   9.332
  210   1HB   SER  27          1HB       SER  27  -8.342  -2.059   9.140
  211   2HB   SER  27          2HB       SER  27  -6.969  -1.777  10.218
  212    HG   SER  27           HG       SER  27  -9.495  -0.458  10.218
  213    H    PHE  28           H        PHE  28  -4.660   0.018   8.934
  214    HA   PHE  28           HA       PHE  28  -3.959  -2.049   6.948
  215   1HB   PHE  28          1HB       PHE  28  -2.710  -0.414   5.599
  216   2HB   PHE  28          2HB       PHE  28  -4.416  -0.043   5.586
  217    HD1  PHE  28           HD2      PHE  28  -1.120   1.089   6.959
  218    HD2  PHE  28           HD1      PHE  28  -5.282   2.044   6.397
  219    HE1  PHE  28           HE2      PHE  28  -0.652   3.465   7.507
  220    HE2  PHE  28           HE1      PHE  28  -4.783   4.430   6.868
  221    HZ   PHE  28           HZ       PHE  28  -2.475   5.136   7.449
  222    H    GLN  29           H        GLN  29  -1.482  -2.126   6.849
  223    HA   GLN  29           HA       GLN  29  -0.208  -1.314   9.336
  224   1HB   GLN  29          1HB       GLN  29  -0.537  -3.908   8.973
  225   2HB   GLN  29          2HB       GLN  29   0.706  -3.716   7.758
  226   1HG   GLN  29          1HG       GLN  29   1.927  -4.250   9.708
  227   2HG   GLN  29          2HG       GLN  29   2.140  -2.527   9.525
  228   1HE2  GLN  29          2HE2      GLN  29   1.132  -3.711  13.113
  229   2HE2  GLN  29          1HE2      GLN  29   2.017  -4.624  11.908
  230    H    GLU  30           H        GLU  30   0.805   0.374   8.761
  231    HA   GLU  30           HA       GLU  30   1.929   0.814   6.103
  232   1HB   GLU  30          1HB       GLU  30   1.319   2.502   8.273
  233   2HB   GLU  30          2HB       GLU  30   3.096   2.401   8.272
  234   1HG   GLU  30          1HG       GLU  30   2.996   2.869   5.787
  235   2HG   GLU  30          2HG       GLU  30   1.292   3.271   5.995
  236    H    LEU  31           H        LEU  31   4.022   0.373   5.475
  237    HA   LEU  31           HA       LEU  31   5.936  -0.824   7.428
  238   1HB   LEU  31          1HB       LEU  31   5.261  -1.635   4.583
  239   2HB   LEU  31          2HB       LEU  31   6.781  -2.041   5.348
  240    HG   LEU  31           HG       LEU  31   5.391  -3.894   5.402
  241   1HD1  LEU  31          2HD1      LEU  31   6.833  -3.490   7.406
  242   2HD1  LEU  31          3HD1      LEU  31   5.419  -2.836   8.255
  243   3HD1  LEU  31          1HD1      LEU  31   5.436  -4.529   7.739
  244   1HD2  LEU  31          1HD2      LEU  31   3.173  -2.776   5.304
  245   2HD2  LEU  31          2HD2      LEU  31   3.270  -4.167   6.403
  246   3HD2  LEU  31          3HD2      LEU  31   3.287  -2.530   7.063
  247    HA   PRO  32           HA       PRO  32   8.105   2.823   5.626
  248   1HB   PRO  32          1HB       PRO  32  10.012   2.829   7.718
  249   2HB   PRO  32          2HB       PRO  32   8.632   3.918   7.485
  250   1HG   PRO  32          1HG       PRO  32   8.898   1.479   9.230
  251   2HG   PRO  32          2HG       PRO  32   7.911   2.938   9.524
  252   1HD   PRO  32          1HD       PRO  32   6.866   0.535   8.704
  253   2HD   PRO  32          2HD       PRO  32   6.137   2.099   8.247
  254    H    ILE  33           H        ILE  33   9.833   2.680   4.390
  255    HA   ILE  33           HA       ILE  33  11.858   0.505   4.708
  256    HB   ILE  33           HB       ILE  33  11.862   0.619   2.109
  257   1HG1  ILE  33          1HG1      ILE  33   8.915   1.151   2.406
  258   2HG1  ILE  33          2HG1      ILE  33  10.078   2.466   2.203
  259   1HG2  ILE  33          1HG2      ILE  33   9.721  -0.849   3.678
  260   2HG2  ILE  33          2HG2      ILE  33  10.238  -1.250   2.017
  261   3HG2  ILE  33          3HG2      ILE  33  11.387  -1.384   3.349
  262   1HD1  ILE  33          3HD1      ILE  33  10.901   1.403   0.120
  263   2HD1  ILE  33          1HD1      ILE  33   9.493   0.289   0.223
  264   3HD1  ILE  33          2HD1      ILE  33   9.289   2.048   0.099
  265    H    ASP  34           H        ASP  34  11.480   3.884   4.710
  266    HA   ASP  34           HA       ASP  34  13.820   4.484   3.119
  267   1HB   ASP  34          1HB       ASP  34  13.877   6.645   4.458
  268   2HB   ASP  34          2HB       ASP  34  12.405   6.366   3.549
  269    H    GLY  35           H        GLY  35  13.255   3.614   6.526
  270   1HA   GLY  35          1HA       GLY  35  16.161   3.714   7.114
  271   2HA   GLY  35          2HA       GLY  35  14.840   3.506   8.258
  272    H    ASN  36           H        ASN  36  14.488   1.527   5.429
  273    HA   ASN  36           HA       ASN  36  15.613  -0.864   6.733
  274   1HB   ASN  36          1HB       ASN  36  13.694  -0.994   7.944
  275   2HB   ASN  36          2HB       ASN  36  12.736  -0.068   6.799
  276   1HD2  ASN  36          2HD2      ASN  36  11.254  -2.888   5.404
  277   2HD2  ASN  36          1HD2      ASN  36  11.136  -1.230   5.925
  278    H    ALA  37           H        ALA  37  16.915  -1.102   4.912
  279    HA   ALA  37           HA       ALA  37  15.750  -1.256   2.258
  280   1HB   ALA  37          2HB       ALA  37  18.106  -0.607   2.619
  281   2HB   ALA  37          3HB       ALA  37  18.452  -2.224   3.273
  282   3HB   ALA  37          1HB       ALA  37  17.966  -2.037   1.583
  283    H    ALA  38           H        ALA  38  16.266  -3.518   4.845
  284    HA   ALA  38           HA       ALA  38  16.308  -5.955   3.524
  285   1HB   ALA  38          2HB       ALA  38  15.109  -5.304   6.264
  286   2HB   ALA  38          3HB       ALA  38  15.480  -6.931   5.667
  287   3HB   ALA  38          1HB       ALA  38  16.782  -5.764   5.925
  288    H    LYS  39           H        LYS  39  13.350  -4.670   5.127
  289    HA   LYS  39           HA       LYS  39  11.670  -6.499   3.634
  290   1HB   LYS  39          1HB       LYS  39  11.307  -4.741   5.841
  291   2HB   LYS  39          2HB       LYS  39  10.183  -4.199   4.605
  292   1HG   LYS  39          1HG       LYS  39   9.353  -6.578   4.424
  293   2HG   LYS  39          2HG       LYS  39  10.392  -7.001   5.792
  294   1HD   LYS  39          1HD       LYS  39   8.239  -4.848   5.851
  295   2HD   LYS  39          2HD       LYS  39   7.978  -6.495   6.405
  296   1HE   LYS  39          1HE       LYS  39  10.223  -4.788   7.571
  297   2HE   LYS  39          2HE       LYS  39   8.561  -4.610   8.125
  298   1HZ   LYS  39          2HZ       LYS  39  10.026  -7.177   8.237
  299   2HZ   LYS  39          3HZ       LYS  39   9.813  -6.125   9.484
  300   3HZ   LYS  39          1HZ       LYS  39   8.513  -6.853   8.792
  301    H    ARG  40           H        ARG  40  13.161  -3.484   2.699
  302    HA   ARG  40           HA       ARG  40  11.160  -2.971   0.650
  303   1HB   ARG  40          1HB       ARG  40  13.036  -1.294   1.445
  304   2HB   ARG  40          2HB       ARG  40  14.051  -2.139   0.252
  305   1HG   ARG  40          1HG       ARG  40  12.190  -1.813  -1.451
  306   2HG   ARG  40          2HG       ARG  40  11.306  -0.917  -0.240
  307   1HD   ARG  40          1HD       ARG  40  13.739  -0.110  -1.822
  308   2HD   ARG  40          2HD       ARG  40  12.201   0.724  -1.618
  309    HE   ARG  40           HE       ARG  40  13.465   0.547   0.928
  310   1HH1  ARG  40          2HH2      ARG  40  13.948   2.161  -2.198
  311   2HH1  ARG  40          1HH2      ARG  40  14.919   3.436  -1.529
  312   1HH2  ARG  40          2HH1      ARG  40  14.544   2.322   1.837
  313   2HH2  ARG  40          1HH1      ARG  40  15.323   3.494   0.837
  314    H    GLU  41           H        GLU  41  14.231  -4.833   0.848
  315    HA   GLU  41           HA       GLU  41  14.396  -5.635  -1.822
  316   1HB   GLU  41          1HB       GLU  41  15.897  -5.933   0.346
  317   2HB   GLU  41          2HB       GLU  41  15.105  -7.489   0.476
  318   1HG   GLU  41          1HG       GLU  41  16.342  -6.693  -2.169
  319   2HG   GLU  41          2HG       GLU  41  17.407  -7.090  -0.825
  320    H    GLU  42           H        GLU  42  12.670  -7.128   0.922
  321    HA   GLU  42           HA       GLU  42  11.368  -9.214  -0.445
  322   1HB   GLU  42          1HB       GLU  42  11.524  -8.860   2.043
  323   2HB   GLU  42          2HB       GLU  42  10.371  -7.539   1.900
  324   1HG   GLU  42          1HG       GLU  42   9.043  -9.293   2.588
  325   2HG   GLU  42          2HG       GLU  42   8.751  -9.263   0.856
  326    H    MET  43           H        MET  43  10.103  -5.875   0.209
  327    HA   MET  43           HA       MET  43   7.679  -6.168  -1.224
  328   1HB   MET  43          1HB       MET  43   8.244  -4.330   0.378
  329   2HB   MET  43          2HB       MET  43   9.353  -3.657  -0.810
  330   1HG   MET  43          1HG       MET  43   6.934  -3.903  -2.236
  331   2HG   MET  43          2HG       MET  43   6.423  -3.486  -0.623
  332   1HE   MET  43          2HE       MET  43   8.284  -2.412  -3.871
  333   2HE   MET  43          3HE       MET  43   9.009  -0.849  -3.441
  334   3HE   MET  43          1HE       MET  43   9.668  -2.350  -2.753
  335    H    ILE  44           H        ILE  44  10.915  -5.236  -2.428
  336    HA   ILE  44           HA       ILE  44  10.073  -4.497  -5.069
  337    HB   ILE  44           HB       ILE  44  12.726  -5.546  -4.005
  338   1HG1  ILE  44          1HG1      ILE  44  12.105  -2.746  -4.940
  339   2HG1  ILE  44          2HG1      ILE  44  11.729  -3.190  -3.314
  340   1HG2  ILE  44          3HG2      ILE  44  12.042  -4.388  -6.756
  341   2HG2  ILE  44          1HG2      ILE  44  13.686  -4.680  -6.167
  342   3HG2  ILE  44          2HG2      ILE  44  12.599  -6.035  -6.417
  343   1HD1  ILE  44          1HD1      ILE  44  14.508  -3.296  -4.550
  344   2HD1  ILE  44          2HD1      ILE  44  13.888  -2.057  -3.450
  345   3HD1  ILE  44          3HD1      ILE  44  14.094  -3.718  -2.873
  346    H    LYS  45           H        LYS  45  11.223  -7.635  -3.635
  347    HA   LYS  45           HA       LYS  45  10.753  -9.068  -6.063
  348   1HB   LYS  45          1HB       LYS  45  12.243  -9.667  -4.062
  349   2HB   LYS  45          2HB       LYS  45  10.784 -10.285  -3.272
  350   1HG   LYS  45          1HG       LYS  45  10.468 -11.937  -5.034
  351   2HG   LYS  45          2HG       LYS  45  11.687 -11.153  -6.058
  352   1HD   LYS  45          1HD       LYS  45  13.411 -11.637  -4.394
  353   2HD   LYS  45          2HD       LYS  45  12.221 -12.507  -3.399
  354   1HE   LYS  45          1HE       LYS  45  11.877 -14.090  -5.331
  355   2HE   LYS  45          2HE       LYS  45  13.128 -13.211  -6.232
  356   1HZ   LYS  45          1HZ       LYS  45  14.651 -13.755  -4.349
  357   2HZ   LYS  45          2HZ       LYS  45  13.482 -14.716  -3.715
  358   3HZ   LYS  45          3HZ       LYS  45  14.149 -15.073  -5.184
  359    H    ARG  46           H        ARG  46   8.585  -8.194  -3.434
  360    HA   ARG  46           HA       ARG  46   6.393  -9.859  -4.510
  361   1HB   ARG  46          1HB       ARG  46   6.785  -8.070  -2.102
  362   2HB   ARG  46          2HB       ARG  46   5.163  -8.497  -2.626
  363   1HG   ARG  46          1HG       ARG  46   5.553 -10.847  -2.420
  364   2HG   ARG  46          2HG       ARG  46   7.270 -10.591  -2.077
  365   1HD   ARG  46          1HD       ARG  46   5.962 -11.106  -0.042
  366   2HD   ARG  46          2HD       ARG  46   6.789  -9.544   0.025
  367    HE   ARG  46           HE       ARG  46   4.020  -9.386  -0.862
  368   1HH1  ARG  46          2HH2      ARG  46   5.997  -9.690   2.080
  369   2HH1  ARG  46          1HH2      ARG  46   5.111  -8.482   2.965
  370   1HH2  ARG  46          2HH1      ARG  46   2.651  -8.013   0.471
  371   2HH2  ARG  46          1HH1      ARG  46   2.986  -7.840   2.163
  372    H    SER  47           H        SER  47   7.663  -6.964  -5.627
  373    HA   SER  47           HA       SER  47   4.965  -6.335  -6.786
  374   1HB   SER  47          1HB       SER  47   5.538  -3.947  -6.689
  375   2HB   SER  47          2HB       SER  47   5.482  -4.683  -5.081
  376    HG   SER  47           HG       SER  47   7.668  -4.729  -4.999
  377    H    GLY  48           H        GLY  48   8.326  -6.890  -7.484
  378   1HA   GLY  48          1HA       GLY  48   9.614  -6.674  -9.316
  379   2HA   GLY  48          2HA       GLY  48   8.162  -6.991 -10.271
  380    H    ARG  49           H        ARG  49   8.507  -4.166  -8.124
  381    HA   ARG  49           HA       ARG  49   8.442  -2.414 -10.550
  382   1HB   ARG  49          1HB       ARG  49   6.353  -2.908  -8.605
  383   2HB   ARG  49          2HB       ARG  49   6.906  -1.243  -8.417
  384   1HG   ARG  49          1HG       ARG  49   6.629  -0.860 -10.832
  385   2HG   ARG  49          2HG       ARG  49   6.207  -2.569 -11.070
  386   1HD   ARG  49          1HD       ARG  49   4.135  -2.288  -9.837
  387   2HD   ARG  49          2HD       ARG  49   4.587  -0.638  -9.403
  388    HE   ARG  49           HE       ARG  49   3.929  -1.626 -12.152
  389   1HH1  ARG  49          2HH2      ARG  49   4.084   1.125  -9.945
  390   2HH1  ARG  49          1HH2      ARG  49   4.116   2.321 -11.193
  391   1HH2  ARG  49          2HH1      ARG  49   3.691  -0.139 -13.764
  392   2HH2  ARG  49          1HH1      ARG  49   3.560   1.563 -13.472
  393    H    THR  50           H        THR  50   9.274  -2.475  -7.111
  394    HA   THR  50           HA       THR  50  10.988  -1.568  -6.060
  395    HB   THR  50           HB       THR  50  12.150  -0.280  -8.469
  396    HG1  THR  50           HG1      THR  50  13.081  -2.490  -8.855
  397   1HG2  THR  50          1HG2      THR  50  13.312  -0.301  -6.177
  398   2HG2  THR  50          2HG2      THR  50  13.567  -2.039  -6.457
  399   3HG2  THR  50          3HG2      THR  50  14.246  -0.841  -7.571
  400    H    THR  51           H        THR  51   8.779   0.403  -7.687
  401    HA   THR  51           HA       THR  51   9.668   2.809  -6.276
  402    HB   THR  51           HB       THR  51   7.636   3.824  -7.381
  403    HG1  THR  51           HG1      THR  51   6.283   2.228  -7.673
  404   1HG2  THR  51          3HG2      THR  51   9.862   3.845  -8.470
  405   2HG2  THR  51          1HG2      THR  51   9.463   2.332  -9.313
  406   3HG2  THR  51          2HG2      THR  51   8.534   3.810  -9.641
  407    H    VAL  52           H        VAL  52   8.296   3.884  -4.671
  408    HA   VAL  52           HA       VAL  52   6.046   2.212  -3.671
  409    HB   VAL  52           HB       VAL  52   6.584   3.807  -1.519
  410   1HG1  VAL  52          3HG1      VAL  52   6.255   1.270  -1.774
  411   2HG1  VAL  52          1HG1      VAL  52   8.016   1.191  -1.969
  412   3HG1  VAL  52          2HG1      VAL  52   7.268   1.855  -0.473
  413   1HG2  VAL  52          2HG2      VAL  52   8.642   4.732  -2.563
  414   2HG2  VAL  52          3HG2      VAL  52   8.901   3.881  -1.033
  415   3HG2  VAL  52          1HG2      VAL  52   9.354   3.103  -2.559
  416    HA   PRO  53           HA       PRO  53   4.643   2.817  -1.577
  417   1HB   PRO  53          1HB       PRO  53   1.965   2.829  -1.328
  418   2HB   PRO  53          2HB       PRO  53   2.980   4.174  -0.726
  419   1HG   PRO  53          1HG       PRO  53   1.452   4.019  -3.337
  420   2HG   PRO  53          2HG       PRO  53   1.499   5.364  -2.152
  421   1HD   PRO  53          1HD       PRO  53   3.073   5.212  -4.405
  422   2HD   PRO  53          2HD       PRO  53   3.588   6.090  -2.926
  423    H    GLN  54           H        GLN  54   3.406   0.737  -1.443
  424    HA   GLN  54           HA       GLN  54   2.331  -0.386  -3.899
  425   1HB   GLN  54          1HB       GLN  54   4.485  -1.774  -2.217
  426   2HB   GLN  54          2HB       GLN  54   3.529  -2.542  -3.475
  427   1HG   GLN  54          1HG       GLN  54   5.578  -0.333  -3.855
  428   2HG   GLN  54          2HG       GLN  54   5.795  -2.034  -4.252
  429   1HE2  GLN  54          2HE2      GLN  54   4.707   0.204  -7.221
  430   2HE2  GLN  54          1HE2      GLN  54   6.002   0.285  -6.032
  431    H    ILE  55           H        ILE  55   0.473  -1.837  -3.163
  432    HA   ILE  55           HA       ILE  55   0.283  -2.033  -0.241
  433    HB   ILE  55           HB       ILE  55  -1.883  -1.233  -2.232
  434   1HG1  ILE  55          1HG1      ILE  55  -1.873   0.693  -0.261
  435   2HG1  ILE  55          2HG1      ILE  55  -0.187   0.266  -0.251
  436   1HG2  ILE  55          1HG2      ILE  55  -2.778  -2.748  -0.452
  437   2HG2  ILE  55          2HG2      ILE  55  -2.140  -1.643   0.780
  438   3HG2  ILE  55          3HG2      ILE  55  -3.411  -1.126  -0.324
  439   1HD1  ILE  55          2HD1      ILE  55  -0.056   0.837  -2.700
  440   2HD1  ILE  55          3HD1      ILE  55  -1.777   1.250  -2.654
  441   3HD1  ILE  55          1HD1      ILE  55  -0.616   2.187  -1.703
  442    H    PHE  56           H        PHE  56  -0.791  -3.904   0.412
  443    HA   PHE  56           HA       PHE  56  -1.275  -6.012  -1.597
  444   1HB   PHE  56          1HB       PHE  56   0.204  -6.361   1.050
  445   2HB   PHE  56          2HB       PHE  56  -0.302  -7.658  -0.021
  446    HD1  PHE  56           HD1      PHE  56   2.008  -4.732   0.307
  447    HD2  PHE  56           HD2      PHE  56   0.979  -8.264  -1.962
  448    HE1  PHE  56           HE1      PHE  56   4.067  -4.459  -1.052
  449    HE2  PHE  56           HE2      PHE  56   3.047  -8.014  -3.267
  450    HZ   PHE  56           HZ       PHE  56   4.560  -6.077  -2.899
  451    H    ILE  57           H        ILE  57  -3.163  -7.115  -1.096
  452    HA   ILE  57           HA       ILE  57  -4.213  -6.927   1.645
  453    HB   ILE  57           HB       ILE  57  -6.059  -6.348  -0.701
  454   1HG1  ILE  57          1HG1      ILE  57  -5.036  -4.441   1.457
  455   2HG1  ILE  57          2HG1      ILE  57  -4.568  -4.385  -0.234
  456   1HG2  ILE  57          2HG2      ILE  57  -6.448  -6.447   2.337
  457   2HG2  ILE  57          3HG2      ILE  57  -7.689  -5.946   1.181
  458   3HG2  ILE  57          1HG2      ILE  57  -7.091  -7.595   1.153
  459   1HD1  ILE  57          1HD1      ILE  57  -6.918  -3.926  -0.883
  460   2HD1  ILE  57          2HD1      ILE  57  -7.323  -3.804   0.850
  461   3HD1  ILE  57          3HD1      ILE  57  -6.158  -2.684   0.138
  462    H    ASP  58           H        ASP  58  -5.005  -8.941   2.244
  463    HA   ASP  58           HA       ASP  58  -4.903 -11.225   2.178
  464   1HB   ASP  58          1HB       ASP  58  -6.743 -10.447  -0.066
  465   2HB   ASP  58          2HB       ASP  58  -6.512 -12.140   0.373
  466    H    ALA  59           H        ALA  59  -2.767 -10.177   1.207
  467    HA   ALA  59           HA       ALA  59  -0.738 -10.523   0.301
  468   1HB   ALA  59          1HB       ALA  59  -0.982 -12.856   1.002
  469   2HB   ALA  59          2HB       ALA  59  -1.724 -13.254  -0.566
  470   3HB   ALA  59          3HB       ALA  59  -0.043 -12.702  -0.496
  471    H    GLN  60           H        GLN  60  -3.468 -10.251  -1.685
  472    HA   GLN  60           HA       GLN  60  -2.162 -10.525  -4.262
  473   1HB   GLN  60          1HB       GLN  60  -4.805  -9.291  -3.361
  474   2HB   GLN  60          2HB       GLN  60  -4.284  -9.347  -5.043
  475   1HG   GLN  60          1HG       GLN  60  -4.578 -11.606  -5.247
  476   2HG   GLN  60          2HG       GLN  60  -4.153 -11.948  -3.582
  477   1HE2  GLN  60          2HE2      GLN  60  -7.453 -11.913  -2.321
  478   2HE2  GLN  60          1HE2      GLN  60  -5.749 -11.920  -1.943
  479    H    HIS  61           H        HIS  61  -0.896  -9.073  -5.167
  480    HA   HIS  61           HA       HIS  61  -0.266  -6.589  -3.767
  481   1HB   HIS  61          1HB       HIS  61   1.527  -7.923  -4.821
  482   2HB   HIS  61          2HB       HIS  61   0.698  -7.919  -6.352
  483    HD1  HIS  61           HD1      HIS  61   2.169  -6.483  -7.942
  484    HD2  HIS  61           HD2      HIS  61   1.586  -4.853  -4.057
  485    HE1  HIS  61           HE1      HIS  61   3.211  -4.165  -7.953
  486    HE2  HIS  61           HE2      HIS  61   2.773  -3.105  -5.676
  487    H    ILE  62           H        ILE  62  -1.419  -4.743  -4.097
  488    HA   ILE  62           HA       ILE  62  -3.560  -4.705  -6.019
  489    HB   ILE  62           HB       ILE  62  -2.487  -2.333  -4.437
  490   1HG1  ILE  62          1HG1      ILE  62  -2.665  -3.933  -2.775
  491   2HG1  ILE  62          2HG1      ILE  62  -4.062  -2.908  -2.624
  492   1HG2  ILE  62          2HG2      ILE  62  -5.278  -3.007  -5.439
  493   2HG2  ILE  62          3HG2      ILE  62  -4.847  -1.598  -4.458
  494   3HG2  ILE  62          1HG2      ILE  62  -4.202  -1.764  -6.091
  495   1HD1  ILE  62          2HD1      ILE  62  -4.190  -5.653  -3.961
  496   2HD1  ILE  62          3HD1      ILE  62  -4.656  -5.303  -2.304
  497   3HD1  ILE  62          1HD1      ILE  62  -5.549  -4.557  -3.635
  498    H    GLY  63           H        GLY  63  -0.647  -2.692  -5.588
  499   1HA   GLY  63          1HA       GLY  63   0.602  -2.242  -7.846
  500   2HA   GLY  63          2HA       GLY  63  -0.960  -1.453  -8.206
  501    H    GLY  64           H        GLY  64  -0.389   0.694  -7.948
  502   1HA   GLY  64          1HA       GLY  64   1.091   1.596  -5.532
  503   2HA   GLY  64          2HA       GLY  64   0.839   2.507  -7.021
  504    H    TYR  65           H        TYR  65   0.040   4.252  -5.998
  505    HA   TYR  65           HA       TYR  65  -1.995   4.296  -3.928
  506   1HB   TYR  65          1HB       TYR  65  -0.290   6.054  -3.966
  507   2HB   TYR  65          2HB       TYR  65  -0.583   6.357  -5.668
  508    HD1  TYR  65           HD2      TYR  65  -2.809   6.125  -2.695
  509    HD2  TYR  65           HD1      TYR  65  -1.619   8.438  -6.106
  510    HE1  TYR  65           HE2      TYR  65  -4.205   8.005  -1.905
  511    HE2  TYR  65           HE1      TYR  65  -3.133  10.247  -5.434
  512    HH   TYR  65           HH       TYR  65  -5.046  10.786  -3.898
  513    H    ASP  66           H        ASP  66  -1.836   5.479  -7.341
  514    HA   ASP  66           HA       ASP  66  -4.558   6.183  -7.455
  515   1HB   ASP  66          1HB       ASP  66  -2.590   5.416  -9.648
  516   2HB   ASP  66          2HB       ASP  66  -4.195   6.097  -9.944
  517    H    ASP  67           H        ASP  67  -2.860   3.157  -8.084
  518    HA   ASP  67           HA       ASP  67  -5.056   1.606  -9.104
  519   1HB   ASP  67          1HB       ASP  67  -2.679   0.747  -7.406
  520   2HB   ASP  67          2HB       ASP  67  -3.888  -0.363  -8.031
  521    H    LEU  68           H        LEU  68  -3.804   1.963  -5.683
  522    HA   LEU  68           HA       LEU  68  -5.931   0.357  -4.667
  523   1HB   LEU  68          1HB       LEU  68  -3.866   0.855  -3.379
  524   2HB   LEU  68          2HB       LEU  68  -4.384   2.538  -3.211
  525    HG   LEU  68           HG       LEU  68  -6.515   1.668  -2.061
  526   1HD1  LEU  68          1HD1      LEU  68  -4.925  -0.923  -2.149
  527   2HD1  LEU  68          2HD1      LEU  68  -6.249  -0.625  -1.023
  528   3HD1  LEU  68          3HD1      LEU  68  -6.576  -0.650  -2.759
  529   1HD2  LEU  68          1HD2      LEU  68  -4.591   2.594  -0.824
  530   2HD2  LEU  68          2HD2      LEU  68  -5.598   1.424   0.045
  531   3HD2  LEU  68          3HD2      LEU  68  -4.016   0.936  -0.591
  532    H    TYR  69           H        TYR  69  -5.686   3.841  -5.016
  533    HA   TYR  69           HA       TYR  69  -8.063   4.657  -3.692
  534   1HB   TYR  69          1HB       TYR  69  -6.149   6.091  -4.561
  535   2HB   TYR  69          2HB       TYR  69  -6.735   5.847  -6.192
  536    HD1  TYR  69           HD1      TYR  69  -9.485   6.498  -6.421
  537    HD2  TYR  69           HD2      TYR  69  -6.590   8.141  -3.655
  538    HE1  TYR  69           HE1      TYR  69 -10.916   8.458  -6.085
  539    HE2  TYR  69           HE2      TYR  69  -8.006  10.120  -3.341
  540    HH   TYR  69           HH       TYR  69  -9.962  11.244  -4.039
  541    H    ALA  70           H        ALA  70  -7.535   3.735  -7.132
  542    HA   ALA  70           HA       ALA  70 -10.324   3.998  -7.875
  543   1HB   ALA  70          2HB       ALA  70  -8.022   2.450  -9.147
  544   2HB   ALA  70          3HB       ALA  70  -9.604   2.738  -9.888
  545   3HB   ALA  70          1HB       ALA  70  -8.536   4.110  -9.545
  546    H    LEU  71           H        LEU  71  -8.273   1.318  -6.717
  547    HA   LEU  71           HA       LEU  71 -10.200  -0.730  -7.017
  548   1HB   LEU  71          1HB       LEU  71  -7.599  -0.762  -6.538
  549   2HB   LEU  71          2HB       LEU  71  -8.097  -0.828  -4.858
  550    HG   LEU  71           HG       LEU  71  -7.556  -2.978  -5.793
  551   1HD1  LEU  71          2HD1      LEU  71  -9.235  -2.927  -4.070
  552   2HD1  LEU  71          3HD1      LEU  71 -10.487  -2.961  -5.354
  553   3HD1  LEU  71          1HD1      LEU  71  -9.376  -4.322  -5.151
  554   1HD2  LEU  71          1HD2      LEU  71  -8.165  -2.562  -8.176
  555   2HD2  LEU  71          2HD2      LEU  71  -8.757  -4.110  -7.553
  556   3HD2  LEU  71          3HD2      LEU  71  -9.881  -2.757  -7.742
  557    H    ASP  72           H        ASP  72  -9.648   1.639  -4.384
  558    HA   ASP  72           HA       ASP  72 -11.720   0.527  -2.668
  559   1HB   ASP  72          1HB       ASP  72 -10.089   2.232  -1.829
  560   2HB   ASP  72          2HB       ASP  72 -10.822   3.428  -2.886
  561    H    ALA  73           H        ALA  73 -11.639   3.172  -5.046
  562    HA   ALA  73           HA       ALA  73 -14.316   3.874  -4.737
  563   1HB   ALA  73          1HB       ALA  73 -12.536   5.290  -5.764
  564   2HB   ALA  73          2HB       ALA  73 -12.610   4.275  -7.225
  565   3HB   ALA  73          3HB       ALA  73 -14.016   5.240  -6.731
  566    H    ARG  74           H        ARG  74 -13.026   1.407  -6.824
  567    HA   ARG  74           HA       ARG  74 -15.523   0.835  -8.207
  568   1HB   ARG  74          1HB       ARG  74 -14.321  -0.835  -9.292
  569   2HB   ARG  74          2HB       ARG  74 -13.095   0.363  -8.969
  570   1HG   ARG  74          1HG       ARG  74 -11.882  -1.349  -8.103
  571   2HG   ARG  74          2HG       ARG  74 -12.901  -1.210  -6.705
  572   1HD   ARG  74          1HD       ARG  74 -12.961  -3.496  -7.207
  573   2HD   ARG  74          2HD       ARG  74 -14.486  -2.907  -7.882
  574    HE   ARG  74           HE       ARG  74 -12.128  -2.931  -9.639
  575   1HH1  ARG  74          2HH2      ARG  74 -15.156  -4.660  -8.742
  576   2HH1  ARG  74          1HH2      ARG  74 -15.089  -5.669 -10.138
  577   1HH2  ARG  74          2HH1      ARG  74 -12.091  -4.312 -11.458
  578   2HH2  ARG  74          1HH1      ARG  74 -13.364  -5.493 -11.651
  579    H    GLY  75           H        GLY  75 -14.412   0.193  -5.037
  580   1HA   GLY  75          1HA       GLY  75 -15.338  -0.958  -3.311
  581   2HA   GLY  75          2HA       GLY  75 -16.616  -1.552  -4.377
  582    H    GLY  76           H        GLY  76 -12.946  -1.999  -4.693
  583   1HA   GLY  76          1HA       GLY  76 -13.446  -4.918  -4.278
  584   2HA   GLY  76          2HA       GLY  76 -12.177  -4.245  -5.283
  585    H    LEU  77           H        LEU  77 -11.720  -2.017  -3.144
  586    HA   LEU  77           HA       LEU  77  -9.858  -3.489  -1.449
  587   1HB   LEU  77          1HB       LEU  77  -9.620  -1.055  -2.203
  588   2HB   LEU  77          2HB       LEU  77 -10.882  -0.625  -1.067
  589    HG   LEU  77           HG       LEU  77  -8.124  -1.620  -0.491
  590   1HD1  LEU  77          2HD1      LEU  77  -8.514   0.785  -0.948
  591   2HD1  LEU  77          3HD1      LEU  77  -9.698   0.842   0.374
  592   3HD1  LEU  77          1HD1      LEU  77  -7.987   0.524   0.726
  593   1HD2  LEU  77          3HD2      LEU  77 -10.307  -1.305   1.608
  594   2HD2  LEU  77          1HD2      LEU  77  -9.390  -2.785   1.227
  595   3HD2  LEU  77          2HD2      LEU  77  -8.561  -1.429   1.934
  596    H    ASP  78           H        ASP  78 -12.875  -1.699  -0.976
  597    HA   ASP  78           HA       ASP  78 -13.301  -2.026   1.692
  598   1HB   ASP  78          1HB       ASP  78 -14.638  -0.568   0.360
  599   2HB   ASP  78          2HB       ASP  78 -15.316  -1.894  -0.577
  600    HA   PRO  79           HA       PRO  79 -15.608  -6.242   1.248
  601   1HB   PRO  79          1HB       PRO  79 -15.068  -7.797  -1.004
  602   2HB   PRO  79          2HB       PRO  79 -16.500  -6.756  -0.771
  603   1HG   PRO  79          1HG       PRO  79 -13.887  -6.162  -2.182
  604   2HG   PRO  79          2HG       PRO  79 -15.555  -5.853  -2.763
  605   1HD   PRO  79          1HD       PRO  79 -14.121  -3.872  -1.670
  606   2HD   PRO  79          2HD       PRO  79 -15.839  -4.052  -1.225
  607    H    LEU  80           H        LEU  80 -12.339  -5.592   0.819
  608    HA   LEU  80           HA       LEU  80 -11.545  -8.303   1.747
  609   1HB   LEU  80          1HB       LEU  80  -9.823  -6.273   0.319
  610   2HB   LEU  80          2HB       LEU  80  -9.325  -7.852   0.944
  611    HG   LEU  80           HG       LEU  80 -11.227  -7.348  -1.367
  612   1HD1  LEU  80          1HD1      LEU  80  -8.833  -7.004  -1.852
  613   2HD1  LEU  80          2HD1      LEU  80  -8.447  -8.610  -1.197
  614   3HD1  LEU  80          3HD1      LEU  80  -9.430  -8.455  -2.672
  615   1HD2  LEU  80          3HD2      LEU  80 -10.334 -10.025  -0.212
  616   2HD2  LEU  80          1HD2      LEU  80 -11.982  -9.360  -0.162
  617   3HD2  LEU  80          2HD2      LEU  80 -11.284  -9.761  -1.706
  618    H    LEU  81           H        LEU  81 -12.229  -5.240   2.862
  619    HA   LEU  81           HA       LEU  81 -10.150  -5.016   4.844
  620   1HB   LEU  81          1HB       LEU  81 -11.580  -3.171   3.928
  621   2HB   LEU  81          2HB       LEU  81 -12.942  -3.802   4.825
  622    HG   LEU  81           HG       LEU  81 -11.440  -1.776   5.626
  623   1HD1  LEU  81          1HD1      LEU  81 -12.616  -3.803   7.532
  624   2HD1  LEU  81          2HD1      LEU  81 -12.104  -2.158   7.974
  625   3HD1  LEU  81          3HD1      LEU  81 -13.394  -2.396   6.797
  626   1HD2  LEU  81          3HD2      LEU  81  -9.298  -3.069   5.752
  627   2HD2  LEU  81          1HD2      LEU  81  -9.753  -2.211   7.236
  628   3HD2  LEU  81          2HD2      LEU  81  -9.962  -3.953   7.138
  629    H    LYS  82           H        LYS  82 -12.684  -7.318   4.510
  630    HA   LYS  82           HA       LYS  82 -13.163  -7.922   7.242
  631   1HB   LYS  82          1HB       LYS  82 -13.665 -10.196   6.204
  632   2HB   LYS  82          2HB       LYS  82 -14.675  -8.844   5.745
  633   1HG   LYS  82          1HG       LYS  82 -14.254 -10.247   3.849
  634   2HG   LYS  82          2HG       LYS  82 -13.538  -8.674   3.592
  635   1HD   LYS  82          1HD       LYS  82 -11.322  -9.483   3.853
  636   2HD   LYS  82          2HD       LYS  82 -11.850 -11.003   4.586
  637   1HE   LYS  82          1HE       LYS  82 -12.622 -10.196   1.757
  638   2HE   LYS  82          2HE       LYS  82 -11.081 -11.011   2.103
  639   1HZ   LYS  82          2HZ       LYS  82 -13.678 -12.143   2.939
  640   2HZ   LYS  82          3HZ       LYS  82 -12.986 -12.502   1.497
  641   3HZ   LYS  82          1HZ       LYS  82 -12.211 -12.874   2.902
  642   1HB2  GTT  83          1HB2      GTT  83   8.392   6.697  -3.438
  643   2HB2  GTT  83          2HB2      GTT  83   9.653   7.940  -3.461
  644    HA2  GTT  83           HA2      GTT  83   9.414   8.174  -5.895
  645    HN2  GTT  83           HN2      GTT  83   6.923   6.670  -5.381
  646   1HG1  GTT  83          1HG1      GTT  83   5.378   7.709  -7.015
  647   2HG1  GTT  83          2HG1      GTT  83   5.597   6.081  -7.683
  648   1HB1  GTT  83          1HB1      GTT  83   5.976   6.968  -9.893
  649   2HB1  GTT  83          2HB1      GTT  83   6.394   8.556  -9.242
  650    HA1  GTT  83           HA1      GTT  83   3.990   8.773  -8.438
  651   1HN1  GTT  83          1HN1      GTT  83   2.395   7.590  -9.613
  652   2HN1  GTT  83          2HN1      GTT  83   3.490   6.767 -10.495
  653   3HN1  GTT  83          3HN1      GTT  83   3.344   6.432  -8.881
  654    HN3  GTT  83           HN3      GTT  83  11.537   6.999  -5.082
  655   1HA3  GTT  83          1HA3      GTT  83  11.318   4.031  -5.361
  656   2HA3  GTT  83          2HA3      GTT  83  12.534   4.951  -6.267
   
  No H/Q in entry =         656
  Start of MODEL    7
    1   1H    ALA   1          3H        ALA   1  -8.454 -10.702   6.873
    2   2H    ALA   1          1H        ALA   1  -9.501 -10.124   5.737
    3   3H    ALA   1          2H        ALA   1  -8.047 -10.748   5.272
    4    HA   ALA   1           HA       ALA   1  -7.961  -8.447   5.089
    5   1HB   ALA   1          1HB       ALA   1  -9.698  -7.932   6.786
    6   2HB   ALA   1          2HB       ALA   1  -8.576  -8.397   8.063
    7   3HB   ALA   1          3HB       ALA   1  -8.206  -6.996   7.051
    8    H    ASN   2           H        ASN   2  -5.849  -8.376   4.690
    9    HA   ASN   2           HA       ASN   2  -3.884  -8.306   6.880
   10   1HB   ASN   2          1HB       ASN   2  -3.842 -10.618   5.968
   11   2HB   ASN   2          2HB       ASN   2  -3.563 -10.004   4.350
   12   1HD2  ASN   2          2HD2      ASN   2  -0.139  -8.939   5.108
   13   2HD2  ASN   2          1HD2      ASN   2  -1.574  -8.420   4.223
   14    H    VAL   3           H        VAL   3  -4.218  -6.004   6.454
   15    HA   VAL   3           HA       VAL   3  -4.031  -5.050   3.696
   16    HB   VAL   3           HB       VAL   3  -4.756  -3.510   6.222
   17   1HG1  VAL   3          2HG1      VAL   3  -4.360  -2.272   4.080
   18   2HG1  VAL   3          3HG1      VAL   3  -5.675  -3.215   3.336
   19   3HG1  VAL   3          1HG1      VAL   3  -6.019  -2.105   4.685
   20   1HG2  VAL   3          1HG2      VAL   3  -6.718  -5.171   4.611
   21   2HG2  VAL   3          2HG2      VAL   3  -6.259  -5.429   6.313
   22   3HG2  VAL   3          3HG2      VAL   3  -7.104  -3.973   5.879
   23    H    GLU   4           H        GLU   4  -1.975  -4.464   3.095
   24    HA   GLU   4           HA       GLU   4  -0.059  -3.425   5.130
   25   1HB   GLU   4          1HB       GLU   4   0.147  -5.534   2.989
   26   2HB   GLU   4          2HB       GLU   4   1.578  -4.614   3.458
   27   1HG   GLU   4          1HG       GLU   4   1.358  -5.379   5.770
   28   2HG   GLU   4          2HG       GLU   4  -0.170  -6.185   5.392
   29    H    ILE   5           H        ILE   5   1.238  -1.689   4.291
   30    HA   ILE   5           HA       ILE   5   1.249  -1.214   1.426
   31    HB   ILE   5           HB       ILE   5  -0.620   0.132   1.822
   32   1HG1  ILE   5          1HG1      ILE   5   1.850   1.915   1.811
   33   2HG1  ILE   5          2HG1      ILE   5   1.174   1.106   0.421
   34   1HG2  ILE   5          3HG2      ILE   5  -0.548   0.279   4.287
   35   2HG2  ILE   5          1HG2      ILE   5   0.759   1.474   4.160
   36   3HG2  ILE   5          2HG2      ILE   5  -0.866   1.837   3.542
   37   1HD1  ILE   5          3HD1      ILE   5  -0.957   2.476   0.808
   38   2HD1  ILE   5          1HD1      ILE   5  -0.035   3.389   2.027
   39   3HD1  ILE   5          2HD1      ILE   5   0.499   3.385   0.341
   40    H    TYR   6           H        TYR   6   3.286  -0.975   0.884
   41    HA   TYR   6           HA       TYR   6   5.358  -0.303   2.869
   42   1HB   TYR   6          1HB       TYR   6   5.325  -0.963  -0.090
   43   2HB   TYR   6          2HB       TYR   6   6.732  -0.249   0.672
   44    HD1  TYR   6           HD2      TYR   6   4.452  -3.234   0.964
   45    HD2  TYR   6           HD1      TYR   6   8.286  -1.484   1.790
   46    HE1  TYR   6           HE2      TYR   6   5.313  -5.443   1.591
   47    HE2  TYR   6           HE1      TYR   6   9.201  -3.683   2.402
   48    HH   TYR   6           HH       TYR   6   7.271  -6.652   2.680
   49    H    THR   7           H        THR   7   6.257   1.696   3.133
   50    HA   THR   7           HA       THR   7   5.571   3.846   1.235
   51    HB   THR   7           HB       THR   7   4.921   5.265   3.135
   52    HG1  THR   7           HG1      THR   7   4.608   4.299   5.181
   53   1HG2  THR   7          1HG2      THR   7   3.119   3.884   1.980
   54   2HG2  THR   7          2HG2      THR   7   3.245   2.751   3.336
   55   3HG2  THR   7          3HG2      THR   7   2.738   4.420   3.624
   56    H    LYS   8           H        LYS   8   6.827   5.916   1.955
   57    HA   LYS   8           HA       LYS   8   9.163   5.344   3.545
   58   1HB   LYS   8          1HB       LYS   8  10.811   6.238   2.040
   59   2HB   LYS   8          2HB       LYS   8  10.017   4.867   1.275
   60   1HG   LYS   8          1HG       LYS   8   8.698   6.378  -0.158
   61   2HG   LYS   8          2HG       LYS   8   9.289   7.780   0.728
   62   1HD   LYS   8          1HD       LYS   8  10.476   7.618  -1.363
   63   2HD   LYS   8          2HD       LYS   8  11.556   7.396   0.002
   64   1HE   LYS   8          1HE       LYS   8  11.395   4.870  -0.409
   65   2HE   LYS   8          2HE       LYS   8  10.491   5.248  -1.894
   66   1HZ   LYS   8          2HZ       LYS   8  12.425   6.561  -2.597
   67   2HZ   LYS   8          3HZ       LYS   8  13.245   6.121  -1.259
   68   3HZ   LYS   8          1HZ       LYS   8  12.836   5.001  -2.403
   69    H    GLU   9           H        GLU   9  10.336   7.579   3.880
   70    HA   GLU   9           HA       GLU   9   8.500   9.407   4.958
   71   1HB   GLU   9          1HB       GLU   9  10.832   9.018   5.777
   72   2HB   GLU   9          2HB       GLU   9  11.456   9.749   4.300
   73   1HG   GLU   9          1HG       GLU   9   9.900  11.799   5.066
   74   2HG   GLU   9          2HG       GLU   9  10.051  11.039   6.647
   75    H    THR  10           H        THR  10  10.951  10.150   2.398
   76    HA   THR  10           HA       THR  10   9.403  12.379   1.414
   77    HB   THR  10           HB       THR  10  11.349  12.533  -0.159
   78    HG1  THR  10           HG1      THR  10  11.717  10.266  -0.130
   79   1HG2  THR  10          3HG2      THR  10  11.453  13.634   2.086
   80   2HG2  THR  10          1HG2      THR  10  12.223  12.177   2.750
   81   3HG2  THR  10          2HG2      THR  10  13.043  13.123   1.495
   82    H    CYS  11           H        CYS  11   7.438  11.314   0.737
   83    HA   CYS  11           HA       CYS  11   7.559  10.740  -2.050
   84   1HB   CYS  11          1HB       CYS  11   8.188   8.481  -1.232
   85   2HB   CYS  11          2HB       CYS  11   6.684   8.391  -0.330
   86    HA   PRO  12           HA       PRO  12   3.768  12.630  -0.293
   87   1HB   PRO  12          1HB       PRO  12   2.988  14.112  -2.414
   88   2HB   PRO  12          2HB       PRO  12   4.224  14.651  -1.235
   89   1HG   PRO  12          1HG       PRO  12   4.674  13.368  -3.948
   90   2HG   PRO  12          2HG       PRO  12   5.504  14.799  -3.250
   91   1HD   PRO  12          1HD       PRO  12   6.629  12.326  -3.132
   92   2HD   PRO  12          2HD       PRO  12   6.749  13.454  -1.753
   93    H    TYR  13           H        TYR  13   4.072  11.018  -3.513
   94    HA   TYR  13           HA       TYR  13   1.312  10.327  -3.786
   95   1HB   TYR  13          1HB       TYR  13   3.340  10.178  -5.445
   96   2HB   TYR  13          2HB       TYR  13   3.703   8.640  -4.680
   97    HD1  TYR  13           HD2      TYR  13   0.672  10.473  -6.000
   98    HD2  TYR  13           HD1      TYR  13   3.013   6.838  -6.095
   99    HE1  TYR  13           HE2      TYR  13  -0.850   9.520  -7.672
  100    HE2  TYR  13           HE1      TYR  13   1.468   5.909  -7.803
  101    HH   TYR  13           HH       TYR  13  -1.327   7.760  -9.074
  102    H    SER  14           H        SER  14   3.993   8.700  -2.040
  103    HA   SER  14           HA       SER  14   2.342   6.488  -1.188
  104   1HB   SER  14          1HB       SER  14   4.863   6.492  -1.200
  105   2HB   SER  14          2HB       SER  14   4.804   7.612   0.191
  106    HG   SER  14           HG       SER  14   3.459   5.892   1.160
  107    H    HIS  15           H        HIS  15   2.987   9.815   0.101
  108    HA   HIS  15           HA       HIS  15   1.635   9.199   2.578
  109   1HB   HIS  15          1HB       HIS  15   2.721  11.688   1.333
  110   2HB   HIS  15          2HB       HIS  15   1.556  11.835   2.621
  111    HD1  HIS  15           HD1      HIS  15   2.375  11.165   5.116
  112    HD2  HIS  15           HD2      HIS  15   5.201  10.687   1.982
  113    HE1  HIS  15           HE1      HIS  15   4.676  10.760   6.199
  114    HE2  HIS  15           HE2      HIS  15   6.365  10.583   4.295
  115    H    ARG  16           H        ARG  16   0.576  10.545  -0.492
  116    HA   ARG  16           HA       ARG  16  -2.083  11.217   0.071
  117   1HB   ARG  16          1HB       ARG  16  -0.437  10.453  -2.286
  118   2HB   ARG  16          2HB       ARG  16  -2.100  10.017  -2.459
  119   1HG   ARG  16          1HG       ARG  16  -2.785  12.367  -2.011
  120   2HG   ARG  16          2HG       ARG  16  -1.076  12.808  -1.810
  121   1HD   ARG  16          1HD       ARG  16  -0.612  12.090  -4.140
  122   2HD   ARG  16          2HD       ARG  16  -2.316  11.643  -4.342
  123    HE   ARG  16           HE       ARG  16  -2.133  14.349  -3.508
  124   1HH1  ARG  16          2HH2      ARG  16  -2.003  12.326  -6.482
  125   2HH1  ARG  16          1HH2      ARG  16  -1.851  13.690  -7.509
  126   1HH2  ARG  16          2HH1      ARG  16  -2.366  16.091  -5.005
  127   2HH2  ARG  16          1HH1      ARG  16  -2.360  15.775  -6.706
  128    H    ALA  17           H        ALA  17  -0.692   7.949  -0.579
  129    HA   ALA  17           HA       ALA  17  -3.174   6.608  -0.496
  130   1HB   ALA  17          1HB       ALA  17  -0.969   5.631  -1.239
  131   2HB   ALA  17          2HB       ALA  17  -0.526   5.508   0.476
  132   3HB   ALA  17          3HB       ALA  17  -1.909   4.585  -0.151
  133    H    LYS  18           H        LYS  18  -1.432   7.849   2.235
  134    HA   LYS  18           HA       LYS  18  -3.092   6.284   4.121
  135   1HB   LYS  18          1HB       LYS  18  -1.229   8.598   4.792
  136   2HB   LYS  18          2HB       LYS  18  -2.086   7.529   5.908
  137   1HG   LYS  18          1HG       LYS  18  -0.146   6.329   5.884
  138   2HG   LYS  18          2HG       LYS  18  -0.863   5.611   4.461
  139   1HD   LYS  18          1HD       LYS  18   1.238   6.176   3.628
  140   2HD   LYS  18          2HD       LYS  18   0.283   7.547   3.143
  141   1HE   LYS  18          1HE       LYS  18   2.464   8.250   4.077
  142   2HE   LYS  18          2HE       LYS  18   1.102   8.911   5.007
  143   1HZ   LYS  18          2HZ       LYS  18   2.702   6.537   5.789
  144   2HZ   LYS  18          3HZ       LYS  18   2.986   8.007   6.352
  145   3HZ   LYS  18          1HZ       LYS  18   1.562   7.252   6.702
  146    H    ALA  19           H        ALA  19  -2.979   9.635   2.784
  147    HA   ALA  19           HA       ALA  19  -5.210  10.563   4.301
  148   1HB   ALA  19          1HB       ALA  19  -3.778  12.072   2.942
  149   2HB   ALA  19          2HB       ALA  19  -4.410  11.335   1.452
  150   3HB   ALA  19          3HB       ALA  19  -5.488  12.242   2.527
  151    H    LEU  20           H        LEU  20  -5.076   8.502   1.417
  152    HA   LEU  20           HA       LEU  20  -7.947   8.518   1.019
  153   1HB   LEU  20          1HB       LEU  20  -6.437   7.959  -0.731
  154   2HB   LEU  20          2HB       LEU  20  -5.686   6.649   0.165
  155    HG   LEU  20           HG       LEU  20  -7.227   6.204  -1.848
  156   1HD1  LEU  20          1HD1      LEU  20  -6.307   4.407  -0.497
  157   2HD1  LEU  20          2HD1      LEU  20  -7.754   4.465   0.550
  158   3HD1  LEU  20          3HD1      LEU  20  -7.901   4.057  -1.167
  159   1HD2  LEU  20          1HD2      LEU  20  -9.158   7.540  -0.952
  160   2HD2  LEU  20          2HD2      LEU  20  -9.542   5.878  -1.464
  161   3HD2  LEU  20          3HD2      LEU  20  -9.382   6.258   0.264
  162    H    LEU  21           H        LEU  21  -5.838   5.964   2.396
  163    HA   LEU  21           HA       LEU  21  -8.027   4.392   3.235
  164   1HB   LEU  21          1HB       LEU  21  -5.119   4.617   4.119
  165   2HB   LEU  21          2HB       LEU  21  -6.192   3.469   4.910
  166    HG   LEU  21           HG       LEU  21  -6.036   3.495   1.885
  167   1HD1  LEU  21          1HD1      LEU  21  -4.065   2.112   3.721
  168   2HD1  LEU  21          2HD1      LEU  21  -4.250   1.810   1.976
  169   3HD1  LEU  21          3HD1      LEU  21  -3.727   3.403   2.540
  170   1HD2  LEU  21          2HD2      LEU  21  -7.779   2.123   3.013
  171   2HD2  LEU  21          3HD2      LEU  21  -6.607   1.131   2.148
  172   3HD2  LEU  21          1HD2      LEU  21  -6.506   1.262   3.911
  173    H    SER  22           H        SER  22  -6.247   6.906   5.131
  174    HA   SER  22           HA       SER  22  -7.882   6.491   7.455
  175   1HB   SER  22          1HB       SER  22  -6.180   8.874   6.652
  176   2HB   SER  22          2HB       SER  22  -6.775   8.484   8.279
  177    HG   SER  22           HG       SER  22  -5.632   6.419   7.989
  178    H    SER  23           H        SER  23  -8.325   8.631   4.481
  179    HA   SER  23           HA       SER  23 -10.504  10.057   5.682
  180   1HB   SER  23          1HB       SER  23  -9.427  10.732   3.588
  181   2HB   SER  23          2HB       SER  23 -10.057   9.280   2.772
  182    HG   SER  23           HG       SER  23 -11.325  11.056   2.354
  183    H    LYS  24           H        LYS  24 -10.260   6.814   4.119
  184    HA   LYS  24           HA       LYS  24 -13.137   6.362   4.565
  185   1HB   LYS  24          1HB       LYS  24 -11.100   4.425   3.442
  186   2HB   LYS  24          2HB       LYS  24 -12.865   4.361   3.326
  187   1HG   LYS  24          1HG       LYS  24 -12.355   6.855   2.256
  188   2HG   LYS  24          2HG       LYS  24 -10.891   6.005   1.819
  189   1HD   LYS  24          1HD       LYS  24 -12.238   4.306   0.629
  190   2HD   LYS  24          2HD       LYS  24 -13.724   5.186   1.077
  191   1HE   LYS  24          1HE       LYS  24 -12.586   7.268  -0.007
  192   2HE   LYS  24          2HE       LYS  24 -11.420   6.113  -0.664
  193   1HZ   LYS  24          3HZ       LYS  24 -13.477   4.944  -1.557
  194   2HZ   LYS  24          1HZ       LYS  24 -14.250   6.391  -1.411
  195   3HZ   LYS  24          2HZ       LYS  24 -12.896   6.240  -2.331
  196    H    GLY  25           H        GLY  25 -10.738   6.476   6.675
  197   1HA   GLY  25          1HA       GLY  25 -10.323   5.690   8.729
  198   2HA   GLY  25          2HA       GLY  25 -12.030   5.244   8.771
  199    H    VAL  26           H        VAL  26  -9.382   3.850   6.735
  200    HA   VAL  26           HA       VAL  26 -10.107   1.173   7.791
  201    HB   VAL  26           HB       VAL  26  -8.160   1.640   5.540
  202   1HG1  VAL  26          3HG1      VAL  26  -8.528  -0.676   6.354
  203   2HG1  VAL  26          1HG1      VAL  26 -10.268  -0.508   6.048
  204   3HG1  VAL  26          2HG1      VAL  26  -9.110  -0.468   4.703
  205   1HG2  VAL  26          2HG2      VAL  26 -11.183   1.735   5.207
  206   2HG2  VAL  26          3HG2      VAL  26 -10.009   3.003   4.784
  207   3HG2  VAL  26          1HG2      VAL  26 -10.019   1.495   3.885
  208    H    SER  27           H        SER  27  -8.587  -0.198   8.670
  209    HA   SER  27           HA       SER  27  -6.115   0.820   9.856
  210   1HB   SER  27          1HB       SER  27  -7.315  -1.990   9.666
  211   2HB   SER  27          2HB       SER  27  -5.986  -1.505  10.725
  212    HG   SER  27           HG       SER  27  -8.034  -1.605  11.758
  213    H    PHE  28           H        PHE  28  -3.991  -0.135   9.321
  214    HA   PHE  28           HA       PHE  28  -3.627  -2.036   7.248
  215   1HB   PHE  28          1HB       PHE  28  -2.460  -0.554   5.600
  216   2HB   PHE  28          2HB       PHE  28  -4.169  -0.228   5.689
  217    HD1  PHE  28           HD2      PHE  28  -0.803   1.155   6.484
  218    HD2  PHE  28           HD1      PHE  28  -5.057   1.883   6.515
  219    HE1  PHE  28           HE2      PHE  28  -0.399   3.583   6.838
  220    HE2  PHE  28           HE1      PHE  28  -4.636   4.296   6.847
  221    HZ   PHE  28           HZ       PHE  28  -2.314   5.152   7.025
  222    H    GLN  29           H        GLN  29  -1.468  -2.657   7.167
  223    HA   GLN  29           HA       GLN  29   0.346  -1.899   9.334
  224   1HB   GLN  29          1HB       GLN  29  -0.213  -4.318   7.655
  225   2HB   GLN  29          2HB       GLN  29   1.481  -3.919   7.749
  226   1HG   GLN  29          1HG       GLN  29   0.836  -5.472   9.531
  227   2HG   GLN  29          2HG       GLN  29   1.396  -3.947  10.204
  228   1HE2  GLN  29          2HE2      GLN  29  -1.561  -3.604  12.145
  229   2HE2  GLN  29          1HE2      GLN  29   0.126  -3.236  11.892
  230    H    GLU  30           H        GLU  30   0.956   0.018   8.625
  231    HA   GLU  30           HA       GLU  30   2.042   0.496   5.941
  232   1HB   GLU  30          1HB       GLU  30   1.454   2.214   8.081
  233   2HB   GLU  30          2HB       GLU  30   3.239   2.123   8.068
  234   1HG   GLU  30          1HG       GLU  30   3.214   2.586   5.637
  235   2HG   GLU  30          2HG       GLU  30   1.470   2.844   5.710
  236    H    LEU  31           H        LEU  31   4.124   0.061   5.273
  237    HA   LEU  31           HA       LEU  31   6.077  -1.070   7.219
  238   1HB   LEU  31          1HB       LEU  31   5.951  -1.817   4.278
  239   2HB   LEU  31          2HB       LEU  31   7.046  -2.405   5.492
  240    HG   LEU  31           HG       LEU  31   5.656  -4.146   5.169
  241   1HD1  LEU  31          1HD1      LEU  31   5.762  -3.627   7.600
  242   2HD1  LEU  31          2HD1      LEU  31   4.162  -2.867   7.465
  243   3HD1  LEU  31          3HD1      LEU  31   4.354  -4.590   7.115
  244   1HD2  LEU  31          1HD2      LEU  31   3.306  -2.291   4.980
  245   2HD2  LEU  31          2HD2      LEU  31   4.057  -3.233   3.691
  246   3HD2  LEU  31          3HD2      LEU  31   3.191  -4.061   4.996
  247    HA   PRO  32           HA       PRO  32   8.003   2.801   5.584
  248   1HB   PRO  32          1HB       PRO  32   9.474   2.385   8.190
  249   2HB   PRO  32          2HB       PRO  32   8.912   3.904   7.433
  250   1HG   PRO  32          1HG       PRO  32   7.532   2.803   9.488
  251   2HG   PRO  32          2HG       PRO  32   6.652   3.472   8.073
  252   1HD   PRO  32          1HD       PRO  32   7.342   0.578   8.654
  253   2HD   PRO  32          2HD       PRO  32   5.798   1.294   8.100
  254    H    ILE  33           H        ILE  33   9.344   2.229   3.988
  255    HA   ILE  33           HA       ILE  33  11.765   0.555   4.530
  256    HB   ILE  33           HB       ILE  33  12.092   0.848   2.029
  257   1HG1  ILE  33          1HG1      ILE  33   9.113   1.021   1.699
  258   2HG1  ILE  33          2HG1      ILE  33  10.036   2.496   1.926
  259   1HG2  ILE  33          2HG2      ILE  33   9.909  -0.870   3.202
  260   2HG2  ILE  33          3HG2      ILE  33  10.599  -1.109   1.562
  261   3HG2  ILE  33          1HG2      ILE  33  11.636  -1.255   2.986
  262   1HD1  ILE  33          2HD1      ILE  33  11.491   2.013   0.055
  263   2HD1  ILE  33          3HD1      ILE  33  10.597   0.489  -0.260
  264   3HD1  ILE  33          1HD1      ILE  33   9.820   2.076  -0.436
  265    H    ASP  34           H        ASP  34  10.899   3.633   4.992
  266    HA   ASP  34           HA       ASP  34  12.740   5.116   3.519
  267   1HB   ASP  34          1HB       ASP  34  12.304   6.933   5.117
  268   2HB   ASP  34          2HB       ASP  34  10.841   6.101   4.649
  269    H    GLY  35           H        GLY  35  13.132   3.594   6.667
  270   1HA   GLY  35          1HA       GLY  35  16.105   3.930   6.478
  271   2HA   GLY  35          2HA       GLY  35  15.188   3.824   7.987
  272    H    ASN  36           H        ASN  36  14.352   1.712   5.237
  273    HA   ASN  36           HA       ASN  36  15.643  -0.584   6.554
  274   1HB   ASN  36          1HB       ASN  36  13.720  -1.200   7.394
  275   2HB   ASN  36          2HB       ASN  36  12.824   0.044   6.570
  276   1HD2  ASN  36          2HD2      ASN  36  11.057  -2.424   4.870
  277   2HD2  ASN  36          1HD2      ASN  36  11.039  -1.042   5.953
  278    H    ALA  37           H        ALA  37  16.680  -1.827   5.245
  279    HA   ALA  37           HA       ALA  37  16.158  -1.558   2.320
  280   1HB   ALA  37          1HB       ALA  37  18.401  -0.764   3.254
  281   2HB   ALA  37          2HB       ALA  37  18.743  -2.472   3.592
  282   3HB   ALA  37          3HB       ALA  37  18.453  -1.945   1.924
  283    H    ALA  38           H        ALA  38  16.429  -3.805   4.965
  284    HA   ALA  38           HA       ALA  38  16.939  -6.113   3.281
  285   1HB   ALA  38          1HB       ALA  38  17.590  -5.986   5.683
  286   2HB   ALA  38          2HB       ALA  38  15.870  -6.117   6.131
  287   3HB   ALA  38          3HB       ALA  38  16.677  -7.444   5.277
  288    H    LYS  39           H        LYS  39  14.011  -4.933   4.964
  289    HA   LYS  39           HA       LYS  39  12.260  -6.892   3.688
  290   1HB   LYS  39          1HB       LYS  39  11.846  -5.808   5.924
  291   2HB   LYS  39          2HB       LYS  39  11.608  -4.287   5.075
  292   1HG   LYS  39          1HG       LYS  39   9.819  -5.591   3.717
  293   2HG   LYS  39          2HG       LYS  39   9.849  -6.723   5.064
  294   1HD   LYS  39          1HD       LYS  39   9.276  -3.704   5.236
  295   2HD   LYS  39          2HD       LYS  39   8.083  -4.997   5.223
  296   1HE   LYS  39          1HE       LYS  39   8.208  -4.635   7.456
  297   2HE   LYS  39          2HE       LYS  39   9.367  -5.951   7.261
  298   1HZ   LYS  39          1HZ       LYS  39  11.155  -4.246   7.420
  299   2HZ   LYS  39          2HZ       LYS  39   9.988  -3.077   7.663
  300   3HZ   LYS  39          3HZ       LYS  39  10.190  -4.292   8.712
  301    H    ARG  40           H        ARG  40  13.360  -3.523   2.982
  302    HA   ARG  40           HA       ARG  40  11.732  -3.168   0.683
  303   1HB   ARG  40          1HB       ARG  40  13.301  -1.406   1.522
  304   2HB   ARG  40          2HB       ARG  40  14.660  -2.317   0.870
  305   1HG   ARG  40          1HG       ARG  40  14.049  -1.957  -1.362
  306   2HG   ARG  40          2HG       ARG  40  12.353  -1.689  -0.955
  307   1HD   ARG  40          1HD       ARG  40  13.217   0.343  -1.680
  308   2HD   ARG  40          2HD       ARG  40  12.901   0.476   0.046
  309    HE   ARG  40           HE       ARG  40  15.428   0.025   0.298
  310   1HH1  ARG  40          2HH2      ARG  40  13.892   1.986  -2.238
  311   2HH1  ARG  40          1HH2      ARG  40  15.262   2.954  -2.561
  312   1HH2  ARG  40          2HH1      ARG  40  17.232   1.432   0.028
  313   2HH2  ARG  40          1HH1      ARG  40  17.276   2.539  -1.303
  314    H    GLU  41           H        GLU  41  14.784  -5.045   0.974
  315    HA   GLU  41           HA       GLU  41  14.933  -5.708  -1.738
  316   1HB   GLU  41          1HB       GLU  41  16.504  -6.090   0.423
  317   2HB   GLU  41          2HB       GLU  41  15.893  -7.728   0.271
  318   1HG   GLU  41          1HG       GLU  41  17.024  -8.077  -1.733
  319   2HG   GLU  41          2HG       GLU  41  16.891  -6.387  -2.239
  320    H    GLU  42           H        GLU  42  13.111  -7.337   0.894
  321    HA   GLU  42           HA       GLU  42  12.054  -9.445  -0.758
  322   1HB   GLU  42          1HB       GLU  42  11.935  -9.595   1.651
  323   2HB   GLU  42          2HB       GLU  42  10.981  -8.111   1.767
  324   1HG   GLU  42          1HG       GLU  42   9.113  -9.151   0.609
  325   2HG   GLU  42          2HG       GLU  42  10.069 -10.608   0.289
  326    H    MET  43           H        MET  43  11.002  -6.090  -0.104
  327    HA   MET  43           HA       MET  43   8.563  -6.183  -1.486
  328   1HB   MET  43          1HB       MET  43   9.591  -4.252  -0.068
  329   2HB   MET  43          2HB       MET  43  10.329  -3.742  -1.588
  330   1HG   MET  43          1HG       MET  43   7.911  -3.884  -2.567
  331   2HG   MET  43          2HG       MET  43   7.399  -3.936  -0.888
  332   1HE   MET  43          2HE       MET  43   8.873  -1.886  -3.829
  333   2HE   MET  43          3HE       MET  43   9.368  -0.356  -3.071
  334   3HE   MET  43          1HE       MET  43  10.299  -1.832  -2.760
  335    H    ILE  44           H        ILE  44  11.863  -6.183  -2.866
  336    HA   ILE  44           HA       ILE  44  11.196  -5.283  -5.494
  337    HB   ILE  44           HB       ILE  44  13.271  -7.359  -4.664
  338   1HG1  ILE  44          1HG1      ILE  44  13.563  -4.344  -4.956
  339   2HG1  ILE  44          2HG1      ILE  44  13.546  -5.204  -3.435
  340   1HG2  ILE  44          3HG2      ILE  44  12.781  -7.306  -7.111
  341   2HG2  ILE  44          1HG2      ILE  44  13.134  -5.563  -7.123
  342   3HG2  ILE  44          2HG2      ILE  44  14.409  -6.752  -6.760
  343   1HD1  ILE  44          1HD1      ILE  44  15.594  -6.446  -4.149
  344   2HD1  ILE  44          2HD1      ILE  44  15.702  -5.357  -5.554
  345   3HD1  ILE  44          3HD1      ILE  44  15.808  -4.696  -3.916
  346    H    LYS  45           H        LYS  45  11.276  -8.577  -4.039
  347    HA   LYS  45           HA       LYS  45  10.139  -9.923  -6.321
  348   1HB   LYS  45          1HB       LYS  45  10.151 -10.667  -3.370
  349   2HB   LYS  45          2HB       LYS  45   9.620 -11.725  -4.683
  350   1HG   LYS  45          1HG       LYS  45  11.928 -11.604  -5.665
  351   2HG   LYS  45          2HG       LYS  45  12.432 -10.623  -4.268
  352   1HD   LYS  45          1HD       LYS  45  11.667 -12.506  -2.753
  353   2HD   LYS  45          2HD       LYS  45  11.298 -13.457  -4.191
  354   1HE   LYS  45          1HE       LYS  45  13.418 -14.177  -3.363
  355   2HE   LYS  45          2HE       LYS  45  13.706 -13.312  -4.883
  356   1HZ   LYS  45          2HZ       LYS  45  13.996 -12.090  -2.200
  357   2HZ   LYS  45          3HZ       LYS  45  15.234 -12.764  -3.011
  358   3HZ   LYS  45          1HZ       LYS  45  14.504 -11.443  -3.646
  359    H    ARG  46           H        ARG  46   8.662  -8.802  -3.222
  360    HA   ARG  46           HA       ARG  46   6.089  -9.760  -3.869
  361   1HB   ARG  46          1HB       ARG  46   6.772  -7.413  -2.037
  362   2HB   ARG  46          2HB       ARG  46   5.201  -8.209  -2.163
  363   1HG   ARG  46          1HG       ARG  46   6.268 -10.374  -1.525
  364   2HG   ARG  46          2HG       ARG  46   7.765  -9.481  -1.221
  365   1HD   ARG  46          1HD       ARG  46   6.681  -9.795   0.881
  366   2HD   ARG  46          2HD       ARG  46   6.506  -8.087   0.454
  367    HE   ARG  46           HE       ARG  46   4.285  -9.856  -0.337
  368   1HH1  ARG  46          2HH2      ARG  46   5.516  -7.992   2.455
  369   2HH1  ARG  46          1HH2      ARG  46   3.884  -7.537   2.937
  370   1HH2  ARG  46          2HH1      ARG  46   2.219  -9.604   0.857
  371   2HH2  ARG  46          1HH1      ARG  46   2.181  -8.338   2.080
  372    H    SER  47           H        SER  47   7.501  -6.561  -4.593
  373    HA   SER  47           HA       SER  47   4.894  -5.682  -5.684
  374   1HB   SER  47          1HB       SER  47   5.887  -3.521  -5.944
  375   2HB   SER  47          2HB       SER  47   6.232  -4.136  -4.322
  376    HG   SER  47           HG       SER  47   8.323  -4.613  -4.974
  377    H    GLY  48           H        GLY  48   7.982  -6.902  -6.955
  378   1HA   GLY  48          1HA       GLY  48   8.779  -7.109  -9.057
  379   2HA   GLY  48          2HA       GLY  48   7.109  -7.046  -9.659
  380    H    ARG  49           H        ARG  49   8.528  -4.440  -7.697
  381    HA   ARG  49           HA       ARG  49   8.640  -2.661 -10.075
  382   1HB   ARG  49          1HB       ARG  49   6.461  -2.776  -8.077
  383   2HB   ARG  49          2HB       ARG  49   7.163  -1.169  -8.233
  384   1HG   ARG  49          1HG       ARG  49   6.755  -1.115 -10.603
  385   2HG   ARG  49          2HG       ARG  49   6.315  -2.829 -10.650
  386   1HD   ARG  49          1HD       ARG  49   4.246  -2.470  -9.540
  387   2HD   ARG  49          2HD       ARG  49   4.718  -0.851  -9.015
  388    HE   ARG  49           HE       ARG  49   4.383   0.029 -11.132
  389   1HH1  ARG  49          2HH2      ARG  49   3.605  -3.465 -11.258
  390   2HH1  ARG  49          1HH2      ARG  49   2.702  -3.329 -12.700
  391   1HH2  ARG  49          2HH1      ARG  49   3.054   0.213 -12.924
  392   2HH2  ARG  49          1HH1      ARG  49   2.387  -1.164 -13.706
  393    H    THR  50           H        THR  50   9.056  -2.671  -6.509
  394    HA   THR  50           HA       THR  50  10.789  -2.003  -5.236
  395    HB   THR  50           HB       THR  50  12.126  -2.536  -7.461
  396    HG1  THR  50           HG1      THR  50  13.286  -1.297  -5.207
  397   1HG2  THR  50          1HG2      THR  50  12.037  -0.036  -8.030
  398   2HG2  THR  50          2HG2      THR  50  13.049   0.213  -6.606
  399   3HG2  THR  50          3HG2      THR  50  13.630  -0.821  -7.955
  400    H    THR  51           H        THR  51   9.113   0.198  -7.273
  401    HA   THR  51           HA       THR  51   9.898   2.561  -5.703
  402    HB   THR  51           HB       THR  51   7.928   3.496  -7.137
  403    HG1  THR  51           HG1      THR  51   8.565   1.540  -9.013
  404   1HG2  THR  51          2HG2      THR  51  10.549   2.502  -8.378
  405   2HG2  THR  51          3HG2      THR  51   9.439   3.632  -9.186
  406   3HG2  THR  51          1HG2      THR  51  10.212   4.089  -7.682
  407    H    VAL  52           H        VAL  52   8.427   3.596  -4.229
  408    HA   VAL  52           HA       VAL  52   6.042   1.974  -3.440
  409    HB   VAL  52           HB       VAL  52   6.152   3.526  -1.332
  410   1HG1  VAL  52          3HG1      VAL  52   6.456   1.103  -1.397
  411   2HG1  VAL  52          1HG1      VAL  52   8.169   1.330  -1.821
  412   3HG1  VAL  52          2HG1      VAL  52   7.547   1.885  -0.238
  413   1HG2  VAL  52          3HG2      VAL  52   7.942   5.033  -2.085
  414   2HG2  VAL  52          1HG2      VAL  52   8.304   4.174  -0.574
  415   3HG2  VAL  52          2HG2      VAL  52   9.075   3.649  -2.075
  416    HA   PRO  53           HA       PRO  53   4.263   2.804  -1.656
  417   1HB   PRO  53          1HB       PRO  53   1.580   2.829  -1.953
  418   2HB   PRO  53          2HB       PRO  53   2.488   4.200  -1.255
  419   1HG   PRO  53          1HG       PRO  53   1.484   3.867  -4.094
  420   2HG   PRO  53          2HG       PRO  53   1.349   5.301  -3.026
  421   1HD   PRO  53          1HD       PRO  53   3.305   5.000  -4.946
  422   2HD   PRO  53          2HD       PRO  53   3.571   5.926  -3.439
  423    H    GLN  54           H        GLN  54   3.312   0.705  -1.471
  424    HA   GLN  54           HA       GLN  54   2.398  -0.695  -3.881
  425   1HB   GLN  54          1HB       GLN  54   4.597  -1.790  -2.046
  426   2HB   GLN  54          2HB       GLN  54   3.765  -2.697  -3.301
  427   1HG   GLN  54          1HG       GLN  54   5.541  -0.278  -3.724
  428   2HG   GLN  54          2HG       GLN  54   6.023  -1.937  -3.990
  429   1HE2  GLN  54          2HE2      GLN  54   4.717  -0.071  -7.082
  430   2HE2  GLN  54          1HE2      GLN  54   6.073   0.084  -5.971
  431    H    ILE  55           H        ILE  55   0.328  -1.538  -3.158
  432    HA   ILE  55           HA       ILE  55   0.037  -1.793  -0.240
  433    HB   ILE  55           HB       ILE  55  -2.056  -1.398  -2.416
  434   1HG1  ILE  55          1HG1      ILE  55  -2.368   0.846  -1.156
  435   2HG1  ILE  55          2HG1      ILE  55  -0.743   0.609  -0.574
  436   1HG2  ILE  55          2HG2      ILE  55  -2.863  -2.601  -0.382
  437   2HG2  ILE  55          3HG2      ILE  55  -2.274  -1.267   0.624
  438   3HG2  ILE  55          1HG2      ILE  55  -3.588  -1.015  -0.525
  439   1HD1  ILE  55          2HD1      ILE  55  -1.484   0.685  -3.522
  440   2HD1  ILE  55          3HD1      ILE  55  -1.102   2.141  -2.583
  441   3HD1  ILE  55          1HD1      ILE  55   0.136   0.910  -2.814
  442    H    PHE  56           H        PHE  56  -0.914  -3.758   0.461
  443    HA   PHE  56           HA       PHE  56  -1.309  -5.892  -1.509
  444   1HB   PHE  56          1HB       PHE  56   0.364  -6.201   1.012
  445   2HB   PHE  56          2HB       PHE  56  -0.146  -7.500  -0.041
  446    HD1  PHE  56           HD1      PHE  56   2.013  -4.435   0.161
  447    HD2  PHE  56           HD2      PHE  56   1.099  -8.052  -1.994
  448    HE1  PHE  56           HE1      PHE  56   4.046  -4.125  -1.226
  449    HE2  PHE  56           HE2      PHE  56   3.145  -7.769  -3.336
  450    HZ   PHE  56           HZ       PHE  56   4.605  -5.792  -3.015
  451    H    ILE  57           H        ILE  57  -3.222  -6.931  -1.013
  452    HA   ILE  57           HA       ILE  57  -4.346  -6.589   1.741
  453    HB   ILE  57           HB       ILE  57  -6.007  -6.315  -0.787
  454   1HG1  ILE  57          1HG1      ILE  57  -5.249  -4.096   1.180
  455   2HG1  ILE  57          2HG1      ILE  57  -4.514  -4.302  -0.403
  456   1HG2  ILE  57          2HG2      ILE  57  -7.175  -7.300   1.198
  457   2HG2  ILE  57          3HG2      ILE  57  -6.714  -5.883   2.162
  458   3HG2  ILE  57          1HG2      ILE  57  -7.827  -5.726   0.787
  459   1HD1  ILE  57          3HD1      ILE  57  -6.811  -4.115  -1.451
  460   2HD1  ILE  57          1HD1      ILE  57  -7.399  -3.595   0.146
  461   3HD1  ILE  57          2HD1      ILE  57  -6.152  -2.656  -0.699
  462    H    ASP  58           H        ASP  58  -4.646  -8.569   2.546
  463    HA   ASP  58           HA       ASP  58  -4.711 -10.876   2.680
  464   1HB   ASP  58          1HB       ASP  58  -6.815 -10.207   0.684
  465   2HB   ASP  58          2HB       ASP  58  -6.466 -11.901   1.041
  466    H    ALA  59           H        ALA  59  -2.728  -9.911   1.540
  467    HA   ALA  59           HA       ALA  59  -0.713 -10.373   0.560
  468   1HB   ALA  59          3HB       ALA  59  -1.972 -13.057  -0.087
  469   2HB   ALA  59          1HB       ALA  59  -0.296 -12.632  -0.408
  470   3HB   ALA  59          2HB       ALA  59  -0.901 -12.645   1.265
  471    H    GLN  60           H        GLN  60  -3.545 -10.030  -1.337
  472    HA   GLN  60           HA       GLN  60  -2.295 -10.328  -3.937
  473   1HB   GLN  60          1HB       GLN  60  -4.862  -8.885  -3.123
  474   2HB   GLN  60          2HB       GLN  60  -4.331  -9.209  -4.778
  475   1HG   GLN  60          1HG       GLN  60  -4.396 -11.627  -4.367
  476   2HG   GLN  60          2HG       GLN  60  -4.866 -11.352  -2.682
  477   1HE2  GLN  60          2HE2      GLN  60  -8.267 -11.221  -3.386
  478   2HE2  GLN  60          1HE2      GLN  60  -6.968 -11.333  -2.214
  479    H    HIS  61           H        HIS  61  -0.895  -8.981  -4.730
  480    HA   HIS  61           HA       HIS  61  -0.239  -6.399  -3.589
  481   1HB   HIS  61          1HB       HIS  61   1.436  -7.880  -4.702
  482   2HB   HIS  61          2HB       HIS  61   0.465  -7.916  -6.155
  483    HD1  HIS  61           HD1      HIS  61   2.038  -6.888  -7.879
  484    HD2  HIS  61           HD2      HIS  61   1.508  -4.639  -4.314
  485    HE1  HIS  61           HE1      HIS  61   3.153  -4.625  -8.266
  486    HE2  HIS  61           HE2      HIS  61   2.783  -3.227  -6.147
  487    H    ILE  62           H        ILE  62  -1.259  -4.467  -4.101
  488    HA   ILE  62           HA       ILE  62  -3.367  -4.513  -6.134
  489    HB   ILE  62           HB       ILE  62  -2.508  -2.135  -4.467
  490   1HG1  ILE  62          1HG1      ILE  62  -2.758  -3.718  -2.814
  491   2HG1  ILE  62          2HG1      ILE  62  -4.204  -2.736  -2.783
  492   1HG2  ILE  62          2HG2      ILE  62  -5.137  -2.938  -5.767
  493   2HG2  ILE  62          3HG2      ILE  62  -4.924  -1.518  -4.717
  494   3HG2  ILE  62          1HG2      ILE  62  -4.066  -1.616  -6.261
  495   1HD1  ILE  62          1HD1      ILE  62  -4.155  -5.486  -4.123
  496   2HD1  ILE  62          2HD1      ILE  62  -4.730  -5.170  -2.495
  497   3HD1  ILE  62          3HD1      ILE  62  -5.561  -4.435  -3.875
  498    H    GLY  63           H        GLY  63  -0.637  -2.270  -5.393
  499   1HA   GLY  63          1HA       GLY  63   0.823  -1.871  -7.551
  500   2HA   GLY  63          2HA       GLY  63  -0.738  -1.230  -8.120
  501    H    GLY  64           H        GLY  64  -0.262   0.919  -8.116
  502   1HA   GLY  64          1HA       GLY  64   1.161   2.227  -5.915
  503   2HA   GLY  64          2HA       GLY  64   0.686   2.921  -7.471
  504    H    TYR  65           H        TYR  65   0.011   4.767  -6.208
  505    HA   TYR  65           HA       TYR  65  -2.018   4.514  -4.142
  506   1HB   TYR  65          1HB       TYR  65  -0.438   6.316  -3.860
  507   2HB   TYR  65          2HB       TYR  65  -0.715   6.908  -5.492
  508    HD1  TYR  65           HD2      TYR  65  -2.859   5.953  -2.582
  509    HD2  TYR  65           HD1      TYR  65  -2.062   8.873  -5.641
  510    HE1  TYR  65           HE2      TYR  65  -4.678   7.330  -1.727
  511    HE2  TYR  65           HE1      TYR  65  -3.953  10.226  -4.822
  512    HH   TYR  65           HH       TYR  65  -5.966  10.088  -3.512
  513    H    ASP  66           H        ASP  66  -2.011   6.023  -7.477
  514    HA   ASP  66           HA       ASP  66  -4.804   6.586  -7.360
  515   1HB   ASP  66          1HB       ASP  66  -2.886   6.184  -9.678
  516   2HB   ASP  66          2HB       ASP  66  -4.615   6.283  -9.973
  517    H    ASP  67           H        ASP  67  -2.980   3.706  -8.123
  518    HA   ASP  67           HA       ASP  67  -5.117   2.117  -9.134
  519   1HB   ASP  67          1HB       ASP  67  -2.657   1.207  -7.596
  520   2HB   ASP  67          2HB       ASP  67  -3.789   0.152  -8.416
  521    H    LEU  68           H        LEU  68  -3.863   2.565  -5.691
  522    HA   LEU  68           HA       LEU  68  -5.834   0.727  -4.693
  523   1HB   LEU  68          1HB       LEU  68  -3.813   1.362  -3.362
  524   2HB   LEU  68          2HB       LEU  68  -4.459   3.001  -3.195
  525    HG   LEU  68           HG       LEU  68  -6.537   1.998  -2.104
  526   1HD1  LEU  68          2HD1      LEU  68  -4.875  -0.528  -2.368
  527   2HD1  LEU  68          3HD1      LEU  68  -6.115  -0.348  -1.120
  528   3HD1  LEU  68          1HD1      LEU  68  -6.576  -0.266  -2.826
  529   1HD2  LEU  68          2HD2      LEU  68  -4.530   2.893  -0.789
  530   2HD2  LEU  68          3HD2      LEU  68  -5.802   1.940  -0.010
  531   3HD2  LEU  68          1HD2      LEU  68  -4.276   1.173  -0.375
  532    H    TYR  69           H        TYR  69  -5.786   4.244  -4.985
  533    HA   TYR  69           HA       TYR  69  -8.218   4.885  -3.675
  534   1HB   TYR  69          1HB       TYR  69  -6.412   6.488  -4.451
  535   2HB   TYR  69          2HB       TYR  69  -6.928   6.246  -6.104
  536    HD1  TYR  69           HD1      TYR  69  -9.202   7.096  -6.875
  537    HD2  TYR  69           HD2      TYR  69  -7.588   7.977  -2.973
  538    HE1  TYR  69           HE1      TYR  69 -10.908   8.849  -6.542
  539    HE2  TYR  69           HE2      TYR  69  -9.298   9.701  -2.623
  540    HH   TYR  69           HH       TYR  69 -11.173  10.700  -3.478
  541    H    ALA  70           H        ALA  70  -7.598   4.114  -7.124
  542    HA   ALA  70           HA       ALA  70 -10.373   4.210  -7.906
  543   1HB   ALA  70          1HB       ALA  70  -7.971   2.829  -9.182
  544   2HB   ALA  70          2HB       ALA  70  -9.559   3.047  -9.938
  545   3HB   ALA  70          3HB       ALA  70  -8.565   4.465  -9.550
  546    H    LEU  71           H        LEU  71  -8.181   1.645  -6.695
  547    HA   LEU  71           HA       LEU  71  -9.981  -0.510  -7.132
  548   1HB   LEU  71          1HB       LEU  71  -7.439  -0.541  -6.525
  549   2HB   LEU  71          2HB       LEU  71  -7.993  -0.545  -4.867
  550    HG   LEU  71           HG       LEU  71  -7.406  -2.726  -5.662
  551   1HD1  LEU  71          1HD1      LEU  71  -9.202  -2.672  -4.101
  552   2HD1  LEU  71          2HD1      LEU  71 -10.346  -2.788  -5.480
  553   3HD1  LEU  71          3HD1      LEU  71  -9.206  -4.105  -5.143
  554   1HD2  LEU  71          2HD2      LEU  71  -7.773  -2.399  -8.090
  555   2HD2  LEU  71          3HD2      LEU  71  -8.447  -3.909  -7.483
  556   3HD2  LEU  71          1HD2      LEU  71  -9.524  -2.551  -7.836
  557    H    ASP  72           H        ASP  72  -9.659   1.852  -4.457
  558    HA   ASP  72           HA       ASP  72 -11.750   0.562  -2.907
  559   1HB   ASP  72          1HB       ASP  72 -10.239   2.362  -1.922
  560   2HB   ASP  72          2HB       ASP  72 -11.169   3.532  -2.840
  561    H    ALA  73           H        ALA  73 -11.751   3.352  -5.125
  562    HA   ALA  73           HA       ALA  73 -14.512   3.783  -5.044
  563   1HB   ALA  73          3HB       ALA  73 -12.918   5.441  -5.906
  564   2HB   ALA  73          1HB       ALA  73 -12.565   4.400  -7.301
  565   3HB   ALA  73          2HB       ALA  73 -14.175   5.125  -7.113
  566    H    ARG  74           H        ARG  74 -12.890   1.321  -6.892
  567    HA   ARG  74           HA       ARG  74 -15.168   0.724  -8.613
  568   1HB   ARG  74          1HB       ARG  74 -13.826  -0.908  -9.532
  569   2HB   ARG  74          2HB       ARG  74 -12.661   0.296  -9.061
  570   1HG   ARG  74          1HG       ARG  74 -11.534  -1.390  -8.042
  571   2HG   ARG  74          2HG       ARG  74 -12.754  -1.350  -6.806
  572   1HD   ARG  74          1HD       ARG  74 -12.517  -3.607  -7.471
  573   2HD   ARG  74          2HD       ARG  74 -14.053  -3.058  -8.141
  574    HE   ARG  74           HE       ARG  74 -11.664  -2.845  -9.857
  575   1HH1  ARG  74          2HH2      ARG  74 -14.736  -4.582  -9.229
  576   2HH1  ARG  74          1HH2      ARG  74 -14.561  -5.612 -10.608
  577   1HH2  ARG  74          2HH1      ARG  74 -11.376  -4.363 -11.538
  578   2HH2  ARG  74          1HH1      ARG  74 -12.631  -5.506 -11.924
  579    H    GLY  75           H        GLY  75 -14.455   0.045  -5.319
  580   1HA   GLY  75          1HA       GLY  75 -15.490  -1.308  -3.803
  581   2HA   GLY  75          2HA       GLY  75 -16.586  -1.918  -5.052
  582    H    GLY  76           H        GLY  76 -12.865  -1.996  -4.701
  583   1HA   GLY  76          1HA       GLY  76 -13.170  -4.956  -4.499
  584   2HA   GLY  76          2HA       GLY  76 -11.878  -4.185  -5.398
  585    H    LEU  77           H        LEU  77 -11.632  -1.922  -3.338
  586    HA   LEU  77           HA       LEU  77  -9.743  -3.289  -1.665
  587   1HB   LEU  77          1HB       LEU  77  -9.650  -0.859  -2.447
  588   2HB   LEU  77          2HB       LEU  77 -10.895  -0.485  -1.267
  589    HG   LEU  77           HG       LEU  77  -8.069  -1.354  -0.737
  590   1HD1  LEU  77          2HD1      LEU  77  -8.537   1.010  -1.349
  591   2HD1  LEU  77          3HD1      LEU  77  -9.664   1.125   0.026
  592   3HD1  LEU  77          1HD1      LEU  77  -7.932   0.861   0.308
  593   1HD2  LEU  77          3HD2      LEU  77 -10.281  -0.982   1.319
  594   2HD2  LEU  77          1HD2      LEU  77  -9.239  -2.409   1.077
  595   3HD2  LEU  77          2HD2      LEU  77  -8.549  -0.919   1.705
  596    H    ASP  78           H        ASP  78 -12.885  -1.650  -1.006
  597    HA   ASP  78           HA       ASP  78 -12.702  -2.282   1.757
  598   1HB   ASP  78          1HB       ASP  78 -14.198  -0.495   0.692
  599   2HB   ASP  78          2HB       ASP  78 -15.409  -1.774   0.510
  600    HA   PRO  79           HA       PRO  79 -15.473  -6.096   1.011
  601   1HB   PRO  79          1HB       PRO  79 -15.374  -7.332  -1.484
  602   2HB   PRO  79          2HB       PRO  79 -16.677  -6.256  -0.891
  603   1HG   PRO  79          1HG       PRO  79 -14.311  -5.589  -2.636
  604   2HG   PRO  79          2HG       PRO  79 -16.016  -5.062  -2.821
  605   1HD   PRO  79          1HD       PRO  79 -14.160  -3.438  -1.752
  606   2HD   PRO  79          2HD       PRO  79 -15.811  -3.479  -1.083
  607    H    LEU  80           H        LEU  80 -12.257  -5.775  -0.625
  608    HA   LEU  80           HA       LEU  80 -11.530  -8.530   0.105
  609   1HB   LEU  80          1HB       LEU  80  -9.927  -6.154  -0.907
  610   2HB   LEU  80          2HB       LEU  80  -9.176  -7.665  -0.421
  611    HG   LEU  80           HG       LEU  80 -11.254  -7.485  -2.640
  612   1HD1  LEU  80          2HD1      LEU  80  -9.150  -6.298  -3.212
  613   2HD1  LEU  80          3HD1      LEU  80  -8.212  -7.748  -2.787
  614   3HD1  LEU  80          1HD1      LEU  80  -9.338  -7.777  -4.164
  615   1HD2  LEU  80          3HD2      LEU  80  -9.440  -9.763  -1.754
  616   2HD2  LEU  80          1HD2      LEU  80 -11.214  -9.718  -1.645
  617   3HD2  LEU  80          2HD2      LEU  80 -10.444  -9.737  -3.225
  618    H    LEU  81           H        LEU  81 -11.936  -5.644   1.860
  619    HA   LEU  81           HA       LEU  81  -9.858  -6.126   3.829
  620   1HB   LEU  81          1HB       LEU  81 -11.408  -3.961   3.091
  621   2HB   LEU  81          2HB       LEU  81 -12.318  -4.539   4.463
  622    HG   LEU  81           HG       LEU  81 -10.945  -2.824   5.250
  623   1HD1  LEU  81          2HD1      LEU  81  -9.372  -5.304   6.015
  624   2HD1  LEU  81          3HD1      LEU  81  -9.322  -3.722   6.828
  625   3HD1  LEU  81          1HD1      LEU  81 -10.801  -4.672   6.859
  626   1HD2  LEU  81          3HD2      LEU  81  -8.665  -4.140   3.730
  627   2HD2  LEU  81          1HD2      LEU  81  -9.523  -2.641   3.339
  628   3HD2  LEU  81          2HD2      LEU  81  -8.509  -2.701   4.772
  629    H    LYS  82           H        LYS  82 -12.389  -8.109   3.085
  630    HA   LYS  82           HA       LYS  82 -13.846  -8.323   5.529
  631   1HB   LYS  82          1HB       LYS  82 -14.251  -9.382   3.041
  632   2HB   LYS  82          2HB       LYS  82 -13.478 -10.768   3.802
  633   1HG   LYS  82          1HG       LYS  82 -15.804 -11.089   4.179
  634   2HG   LYS  82          2HG       LYS  82 -15.205 -10.462   5.717
  635   1HD   LYS  82          1HD       LYS  82 -15.855  -8.099   4.689
  636   2HD   LYS  82          2HD       LYS  82 -16.770  -9.047   3.531
  637   1HE   LYS  82          1HE       LYS  82 -18.312  -8.426   5.175
  638   2HE   LYS  82          2HE       LYS  82 -17.968 -10.130   5.504
  639   1HZ   LYS  82          1HZ       LYS  82 -16.735  -7.839   6.923
  640   2HZ   LYS  82          2HZ       LYS  82 -18.002  -8.702   7.482
  641   3HZ   LYS  82          3HZ       LYS  82 -16.530  -9.423   7.310
  642   1HB2  GTT  83          1HB2      GTT  83   8.625   6.662  -3.309
  643   2HB2  GTT  83          2HB2      GTT  83   9.886   7.889  -3.541
  644    HA2  GTT  83           HA2      GTT  83   9.907   7.522  -5.926
  645    HN2  GTT  83           HN2      GTT  83   7.308   6.291  -5.376
  646   1HG1  GTT  83          1HG1      GTT  83   6.088   7.028  -8.125
  647   2HG1  GTT  83          2HG1      GTT  83   5.899   5.796  -6.882
  648   1HB1  GTT  83          1HB1      GTT  83   7.269   4.525  -9.034
  649   2HB1  GTT  83          2HB1      GTT  83   5.973   5.465  -9.744
  650    HA1  GTT  83           HA1      GTT  83   5.472   3.722  -7.312
  651   1HN1  GTT  83          1HN1      GTT  83   5.194   2.810 -10.081
  652   2HN1  GTT  83          2HN1      GTT  83   6.323   2.273  -8.978
  653   3HN1  GTT  83          3HN1      GTT  83   4.702   2.060  -8.715
  654    HN3  GTT  83           HN3      GTT  83  11.631   6.070  -6.407
  655   1HA3  GTT  83          1HA3      GTT  83  11.592   3.408  -5.030
  656   2HA3  GTT  83          2HA3      GTT  83  12.280   3.713  -6.624
   
  No H/Q in entry =         656
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1  -8.009 -10.750   6.109
    2   2H    ALA   1          2H        ALA   1  -9.113  -9.636   5.566
    3   3H    ALA   1          3H        ALA   1  -7.813 -10.036   4.640
    4    HA   ALA   1           HA       ALA   1  -7.390  -7.956   5.540
    5   1HB   ALA   1          1HB       ALA   1  -7.991  -9.233   8.230
    6   2HB   ALA   1          2HB       ALA   1  -7.249  -7.629   8.008
    7   3HB   ALA   1          3HB       ALA   1  -8.878  -7.922   7.422
    8    H    ASN   2           H        ASN   2  -5.470  -8.721   4.467
    9    HA   ASN   2           HA       ASN   2  -3.316  -8.404   6.495
   10   1HB   ASN   2          1HB       ASN   2  -3.024 -10.630   5.501
   11   2HB   ASN   2          2HB       ASN   2  -3.039  -9.955   3.887
   12   1HD2  ASN   2          2HD2      ASN   2   0.289  -8.392   4.229
   13   2HD2  ASN   2          1HD2      ASN   2  -1.315  -8.045   3.615
   14    H    VAL   3           H        VAL   3  -4.180  -6.136   6.175
   15    HA   VAL   3           HA       VAL   3  -3.785  -5.077   3.428
   16    HB   VAL   3           HB       VAL   3  -5.230  -3.870   5.822
   17   1HG1  VAL   3          3HG1      VAL   3  -4.328  -2.186   4.197
   18   2HG1  VAL   3          1HG1      VAL   3  -5.191  -3.002   2.890
   19   3HG1  VAL   3          2HG1      VAL   3  -6.096  -2.244   4.218
   20   1HG2  VAL   3          1HG2      VAL   3  -6.121  -5.549   3.457
   21   2HG2  VAL   3          2HG2      VAL   3  -6.579  -5.693   5.165
   22   3HG2  VAL   3          3HG2      VAL   3  -7.215  -4.376   4.165
   23    H    GLU   4           H        GLU   4  -1.810  -4.255   3.050
   24    HA   GLU   4           HA       GLU   4  -0.429  -2.836   5.261
   25   1HB   GLU   4          1HB       GLU   4   1.032  -4.772   3.452
   26   2HB   GLU   4          2HB       GLU   4   1.631  -3.871   4.831
   27   1HG   GLU   4          1HG       GLU   4   0.203  -5.143   6.357
   28   2HG   GLU   4          2HG       GLU   4  -0.497  -6.046   5.019
   29    H    ILE   5           H        ILE   5   0.935  -1.156   4.464
   30    HA   ILE   5           HA       ILE   5   0.803  -0.530   1.584
   31    HB   ILE   5           HB       ILE   5  -1.052   0.673   2.265
   32   1HG1  ILE   5          1HG1      ILE   5   1.206   2.710   2.488
   33   2HG1  ILE   5          2HG1      ILE   5   0.782   1.926   0.975
   34   1HG2  ILE   5          3HG2      ILE   5  -0.778   0.519   4.751
   35   2HG2  ILE   5          1HG2      ILE   5   0.374   1.870   4.658
   36   3HG2  ILE   5          2HG2      ILE   5  -1.319   2.091   4.196
   37   1HD1  ILE   5          1HD1      ILE   5  -1.201   3.589   2.588
   38   2HD1  ILE   5          2HD1      ILE   5  -0.165   4.217   1.311
   39   3HD1  ILE   5          3HD1      ILE   5  -1.388   2.985   0.934
   40    H    TYR   6           H        TYR   6   2.844  -0.499   1.010
   41    HA   TYR   6           HA       TYR   6   4.998   0.028   2.908
   42   1HB   TYR   6          1HB       TYR   6   4.921  -0.367  -0.107
   43   2HB   TYR   6          2HB       TYR   6   6.394  -0.009   0.792
   44    HD1  TYR   6           HD1      TYR   6   7.397  -1.557   2.341
   45    HD2  TYR   6           HD2      TYR   6   3.822  -2.578   0.164
   46    HE1  TYR   6           HE1      TYR   6   7.745  -3.938   2.909
   47    HE2  TYR   6           HE2      TYR   6   4.196  -4.984   0.709
   48    HH   TYR   6           HH       TYR   6   7.045  -6.149   2.381
   49    H    THR   7           H        THR   7   6.169   1.838   3.153
   50    HA   THR   7           HA       THR   7   5.540   4.233   1.550
   51    HB   THR   7           HB       THR   7   5.380   5.434   3.773
   52    HG1  THR   7           HG1      THR   7   4.964   4.238   5.593
   53   1HG2  THR   7          1HG2      THR   7   3.331   4.642   2.416
   54   2HG2  THR   7          2HG2      THR   7   3.234   3.286   3.541
   55   3HG2  THR   7          3HG2      THR   7   3.055   4.947   4.133
   56    H    LYS   8           H        LYS   8   7.185   6.014   2.178
   57    HA   LYS   8           HA       LYS   8   9.542   5.072   3.538
   58   1HB   LYS   8          1HB       LYS   8  11.175   5.622   1.881
   59   2HB   LYS   8          2HB       LYS   8  10.141   4.335   1.293
   60   1HG   LYS   8          1HG       LYS   8   8.893   5.942  -0.117
   61   2HG   LYS   8          2HG       LYS   8   9.883   7.262   0.488
   62   1HD   LYS   8          1HD       LYS   8  10.920   4.889  -1.116
   63   2HD   LYS   8          2HD       LYS   8  10.615   6.497  -1.754
   64   1HE   LYS   8          1HE       LYS   8  12.651   5.720   0.364
   65   2HE   LYS   8          2HE       LYS   8  12.982   5.991  -1.350
   66   1HZ   LYS   8          3HZ       LYS   8  11.913   8.103   0.420
   67   2HZ   LYS   8          1HZ       LYS   8  13.499   7.856   0.131
   68   3HZ   LYS   8          2HZ       LYS   8  12.544   8.267  -1.126
   69    H    GLU   9           H        GLU   9  11.057   7.108   3.721
   70    HA   GLU   9           HA       GLU   9   9.498   9.413   4.525
   71   1HB   GLU   9          1HB       GLU   9  11.865   8.249   5.286
   72   2HB   GLU   9          2HB       GLU   9  12.488   9.562   4.321
   73   1HG   GLU   9          1HG       GLU   9  10.403   9.953   6.525
   74   2HG   GLU   9          2HG       GLU   9  12.120   9.814   6.886
   75    H    THR  10           H        THR  10  10.238  11.617   3.670
   76    HA   THR  10           HA       THR  10  10.353  13.144   2.031
   77    HB   THR  10           HB       THR  10  12.375  13.023   0.696
   78    HG1  THR  10           HG1      THR  10  12.057  10.315   1.209
   79   1HG2  THR  10          2HG2      THR  10  12.662  13.330   3.194
   80   2HG2  THR  10          3HG2      THR  10  12.980  11.593   3.319
   81   3HG2  THR  10          1HG2      THR  10  14.059  12.609   2.374
   82    H    CYS  11           H        CYS  11   8.181  11.351   1.578
   83    HA   CYS  11           HA       CYS  11   8.062  11.171  -1.377
   84   1HB   CYS  11          1HB       CYS  11   8.933   9.050  -0.583
   85   2HB   CYS  11          2HB       CYS  11   7.593   8.895   0.561
   86    HA   PRO  12           HA       PRO  12   4.238  12.876   0.429
   87   1HB   PRO  12          1HB       PRO  12   3.338  14.307  -1.656
   88   2HB   PRO  12          2HB       PRO  12   4.659  14.867  -0.601
   89   1HG   PRO  12          1HG       PRO  12   4.933  13.549  -3.315
   90   2HG   PRO  12          2HG       PRO  12   5.783  15.001  -2.695
   91   1HD   PRO  12          1HD       PRO  12   6.916  12.522  -2.627
   92   2HD   PRO  12          2HD       PRO  12   7.182  13.707  -1.312
   93    H    TYR  13           H        TYR  13   4.461  11.412  -2.840
   94    HA   TYR  13           HA       TYR  13   1.803  10.559  -3.239
   95   1HB   TYR  13          1HB       TYR  13   3.949  10.471  -4.718
   96   2HB   TYR  13          2HB       TYR  13   4.368   9.013  -3.866
   97    HD1  TYR  13           HD1      TYR  13   2.044   7.357  -3.782
   98    HD2  TYR  13           HD2      TYR  13   3.278  10.037  -6.922
   99    HE1  TYR  13           HE1      TYR  13   1.190   5.795  -5.440
  100    HE2  TYR  13           HE2      TYR  13   2.166   8.589  -8.583
  101    HH   TYR  13           HH       TYR  13   0.323   6.690  -8.563
  102    H    SER  14           H        SER  14   4.441   9.056  -1.297
  103    HA   SER  14           HA       SER  14   2.953   6.778  -0.418
  104   1HB   SER  14          1HB       SER  14   5.282   6.729  -0.198
  105   2HB   SER  14          2HB       SER  14   5.357   8.260   0.679
  106    HG   SER  14           HG       SER  14   4.491   7.262   2.463
  107    H    HIS  15           H        HIS  15   3.360  10.104   1.019
  108    HA   HIS  15           HA       HIS  15   1.776   9.351   3.304
  109   1HB   HIS  15          1HB       HIS  15   2.674  12.034   2.215
  110   2HB   HIS  15          2HB       HIS  15   1.496  11.944   3.506
  111    HD1  HIS  15           HD1      HIS  15   2.348  11.497   5.951
  112    HD2  HIS  15           HD2      HIS  15   5.237  11.075   2.868
  113    HE1  HIS  15           HE1      HIS  15   4.652  11.319   7.084
  114    HE2  HIS  15           HE2      HIS  15   6.394  11.074   5.188
  115    H    ARG  16           H        ARG  16   0.929  10.767   0.192
  116    HA   ARG  16           HA       ARG  16  -1.837  11.230   0.625
  117   1HB   ARG  16          1HB       ARG  16   0.030  10.782  -1.716
  118   2HB   ARG  16          2HB       ARG  16  -1.665  10.528  -2.016
  119   1HG   ARG  16          1HG       ARG  16  -2.159  12.765  -1.048
  120   2HG   ARG  16          2HG       ARG  16  -0.428  13.063  -0.884
  121   1HD   ARG  16          1HD       ARG  16  -1.854  12.432  -3.516
  122   2HD   ARG  16          2HD       ARG  16  -1.615  14.063  -2.909
  123    HE   ARG  16           HE       ARG  16   0.299  12.397  -4.250
  124   1HH1  ARG  16          2HH2      ARG  16  -0.026  15.029  -1.857
  125   2HH1  ARG  16          1HH2      ARG  16   1.513  15.741  -2.246
  126   1HH2  ARG  16          2HH1      ARG  16   2.372  13.431  -4.780
  127   2HH2  ARG  16          1HH1      ARG  16   2.774  14.920  -4.013
  128    H    ALA  17           H        ALA  17  -0.223   8.189  -0.498
  129    HA   ALA  17           HA       ALA  17  -2.709   7.030  -1.010
  130   1HB   ALA  17          3HB       ALA  17  -0.602   6.224  -1.928
  131   2HB   ALA  17          1HB       ALA  17  -0.068   5.686  -0.332
  132   3HB   ALA  17          2HB       ALA  17  -1.454   4.887  -1.121
  133    H    LYS  18           H        LYS  18  -1.144   7.180   2.094
  134    HA   LYS  18           HA       LYS  18  -3.057   5.235   3.280
  135   1HB   LYS  18          1HB       LYS  18  -1.883   7.173   5.177
  136   2HB   LYS  18          2HB       LYS  18  -2.183   5.471   5.320
  137   1HG   LYS  18          1HG       LYS  18   0.080   5.464   5.407
  138   2HG   LYS  18          2HG       LYS  18  -0.156   5.217   3.669
  139   1HD   LYS  18          1HD       LYS  18   1.557   6.896   3.916
  140   2HD   LYS  18          2HD       LYS  18   0.083   7.659   3.348
  141   1HE   LYS  18          1HE       LYS  18   0.739   9.187   4.940
  142   2HE   LYS  18          2HE       LYS  18  -0.401   8.210   5.836
  143   1HZ   LYS  18          1HZ       LYS  18   2.531   7.876   5.944
  144   2HZ   LYS  18          2HZ       LYS  18   1.606   8.650   7.059
  145   3HZ   LYS  18          3HZ       LYS  18   1.456   7.028   6.825
  146    H    ALA  19           H        ALA  19  -2.982   8.754   2.713
  147    HA   ALA  19           HA       ALA  19  -5.000   9.417   4.632
  148   1HB   ALA  19          3HB       ALA  19  -3.538  11.105   3.513
  149   2HB   ALA  19          1HB       ALA  19  -4.397  10.799   1.979
  150   3HB   ALA  19          2HB       ALA  19  -5.268  11.463   3.371
  151    H    LEU  20           H        LEU  20  -5.079   7.961   1.446
  152    HA   LEU  20           HA       LEU  20  -7.972   8.236   1.066
  153   1HB   LEU  20          1HB       LEU  20  -6.577   7.646  -0.789
  154   2HB   LEU  20          2HB       LEU  20  -6.039   6.144  -0.047
  155    HG   LEU  20           HG       LEU  20  -8.994   6.669  -0.618
  156   1HD1  LEU  20          3HD1      LEU  20  -7.752   7.001  -2.721
  157   2HD1  LEU  20          1HD1      LEU  20  -7.001   5.395  -2.535
  158   3HD1  LEU  20          2HD1      LEU  20  -8.763   5.552  -2.749
  159   1HD2  LEU  20          3HD2      LEU  20  -7.329   4.148  -0.168
  160   2HD2  LEU  20          1HD2      LEU  20  -8.803   4.649   0.677
  161   3HD2  LEU  20          2HD2      LEU  20  -8.908   4.093  -0.966
  162    H    LEU  21           H        LEU  21  -5.997   5.517   2.260
  163    HA   LEU  21           HA       LEU  21  -8.166   3.856   3.059
  164   1HB   LEU  21          1HB       LEU  21  -5.265   4.048   3.922
  165   2HB   LEU  21          2HB       LEU  21  -6.373   2.948   4.698
  166    HG   LEU  21           HG       LEU  21  -6.777   2.588   1.875
  167   1HD1  LEU  21          2HD1      LEU  21  -3.838   2.564   2.663
  168   2HD1  LEU  21          3HD1      LEU  21  -4.510   1.795   1.208
  169   3HD1  LEU  21          1HD1      LEU  21  -4.633   3.540   1.404
  170   1HD2  LEU  21          2HD2      LEU  21  -7.131   0.889   3.587
  171   2HD2  LEU  21          3HD2      LEU  21  -6.038   0.303   2.333
  172   3HD2  LEU  21          1HD2      LEU  21  -5.384   0.811   3.909
  173    H    SER  22           H        SER  22  -6.428   6.392   4.889
  174    HA   SER  22           HA       SER  22  -7.863   6.013   7.316
  175   1HB   SER  22          1HB       SER  22  -5.664   7.171   7.062
  176   2HB   SER  22          2HB       SER  22  -6.482   8.523   6.259
  177    HG   SER  22           HG       SER  22  -7.475   7.710   8.771
  178    H    SER  23           H        SER  23  -8.464   8.269   4.497
  179    HA   SER  23           HA       SER  23 -10.750   9.552   5.494
  180   1HB   SER  23          1HB       SER  23  -9.700  10.350   3.508
  181   2HB   SER  23          2HB       SER  23  -9.805   8.781   2.716
  182    HG   SER  23           HG       SER  23 -12.051  10.408   3.389
  183    H    LYS  24           H        LYS  24 -10.446   6.434   3.742
  184    HA   LYS  24           HA       LYS  24 -13.273   5.818   3.973
  185   1HB   LYS  24          1HB       LYS  24 -10.816   4.369   2.956
  186   2HB   LYS  24          2HB       LYS  24 -12.299   3.471   3.256
  187   1HG   LYS  24          1HG       LYS  24 -12.481   3.972   1.036
  188   2HG   LYS  24          2HG       LYS  24 -13.564   5.078   1.838
  189   1HD   LYS  24          1HD       LYS  24 -11.512   6.804   1.580
  190   2HD   LYS  24          2HD       LYS  24 -10.940   5.607   0.417
  191   1HE   LYS  24          1HE       LYS  24 -12.207   7.137  -0.865
  192   2HE   LYS  24          2HE       LYS  24 -13.219   5.706  -0.675
  193   1HZ   LYS  24          3HZ       LYS  24 -14.186   6.995   1.328
  194   2HZ   LYS  24          1HZ       LYS  24 -13.490   8.318   0.640
  195   3HZ   LYS  24          2HZ       LYS  24 -14.647   7.458  -0.161
  196    H    GLY  25           H        GLY  25 -11.137   5.977   6.453
  197   1HA   GLY  25          1HA       GLY  25 -11.349   5.278   8.635
  198   2HA   GLY  25          2HA       GLY  25 -12.920   4.590   8.194
  199    H    VAL  26           H        VAL  26  -9.989   3.541   6.516
  200    HA   VAL  26           HA       VAL  26 -10.547   0.792   7.373
  201    HB   VAL  26           HB       VAL  26  -8.449   1.819   5.410
  202   1HG1  VAL  26          2HG1      VAL  26  -9.826  -0.858   5.798
  203   2HG1  VAL  26          3HG1      VAL  26  -8.851  -0.474   4.370
  204   3HG1  VAL  26          1HG1      VAL  26  -8.084  -0.516   5.954
  205   1HG2  VAL  26          1HG2      VAL  26 -11.347   1.038   4.837
  206   2HG2  VAL  26          2HG2      VAL  26 -10.611   2.636   4.614
  207   3HG2  VAL  26          3HG2      VAL  26 -10.096   1.301   3.599
  208    H    SER  27           H        SER  27  -8.749  -0.581   8.142
  209    HA   SER  27           HA       SER  27  -6.526   0.874   9.458
  210   1HB   SER  27          1HB       SER  27  -8.057  -1.533  10.522
  211   2HB   SER  27          2HB       SER  27  -6.500  -0.960  11.151
  212    HG   SER  27           HG       SER  27  -9.006   0.392  11.070
  213    H    PHE  28           H        PHE  28  -4.529  -0.011   9.232
  214    HA   PHE  28           HA       PHE  28  -4.007  -2.267   7.443
  215   1HB   PHE  28          1HB       PHE  28  -2.885  -0.658   5.815
  216   2HB   PHE  28          2HB       PHE  28  -4.635  -0.548   5.843
  217    HD1  PHE  28           HD2      PHE  28  -1.506   1.192   6.979
  218    HD2  PHE  28           HD1      PHE  28  -5.795   1.451   6.537
  219    HE1  PHE  28           HE2      PHE  28  -1.420   3.611   7.493
  220    HE2  PHE  28           HE1      PHE  28  -5.698   3.866   7.064
  221    HZ   PHE  28           HZ       PHE  28  -3.511   4.959   7.523
  222    H    GLN  29           H        GLN  29  -1.540  -2.140   6.994
  223    HA   GLN  29           HA       GLN  29  -0.051  -1.334   9.414
  224   1HB   GLN  29          1HB       GLN  29  -0.487  -3.885   8.190
  225   2HB   GLN  29          2HB       GLN  29   1.156  -3.484   7.820
  226   1HG   GLN  29          1HG       GLN  29   0.042  -3.245  10.661
  227   2HG   GLN  29          2HG       GLN  29   0.528  -4.795  10.008
  228   1HE2  GLN  29          2HE2      GLN  29   3.720  -2.195  10.260
  229   2HE2  GLN  29          1HE2      GLN  29   2.420  -1.721   9.271
  230    H    GLU  30           H        GLU  30   0.665   0.569   8.702
  231    HA   GLU  30           HA       GLU  30   1.793   1.020   6.074
  232   1HB   GLU  30          1HB       GLU  30   1.291   2.723   8.192
  233   2HB   GLU  30          2HB       GLU  30   3.053   2.480   8.326
  234   1HG   GLU  30          1HG       GLU  30   3.162   2.960   5.842
  235   2HG   GLU  30          2HG       GLU  30   1.488   3.509   5.935
  236    H    LEU  31           H        LEU  31   3.894   0.657   5.364
  237    HA   LEU  31           HA       LEU  31   5.720  -0.935   7.135
  238   1HB   LEU  31          1HB       LEU  31   5.071  -1.542   4.261
  239   2HB   LEU  31          2HB       LEU  31   6.356  -2.282   5.209
  240    HG   LEU  31           HG       LEU  31   3.364  -2.476   5.764
  241   1HD1  LEU  31          3HD1      LEU  31   5.420  -4.434   4.695
  242   2HD1  LEU  31          1HD1      LEU  31   3.738  -4.836   5.090
  243   3HD1  LEU  31          2HD1      LEU  31   4.085  -3.667   3.786
  244   1HD2  LEU  31          2HD2      LEU  31   5.662  -3.934   7.143
  245   2HD2  LEU  31          3HD2      LEU  31   4.607  -2.706   7.889
  246   3HD2  LEU  31          1HD2      LEU  31   3.924  -4.248   7.372
  247    HA   PRO  32           HA       PRO  32   7.818   2.778   5.470
  248   1HB   PRO  32          1HB       PRO  32   9.392   3.267   7.691
  249   2HB   PRO  32          2HB       PRO  32   7.735   3.830   7.440
  250   1HG   PRO  32          1HG       PRO  32   8.732   1.641   9.220
  251   2HG   PRO  32          2HG       PRO  32   7.214   2.575   9.354
  252   1HD   PRO  32          1HD       PRO  32   7.662  -0.037   8.229
  253   2HD   PRO  32          2HD       PRO  32   6.096   0.797   8.329
  254    H    ILE  33           H        ILE  33   8.947   1.715   3.916
  255    HA   ILE  33           HA       ILE  33  11.377   0.218   4.643
  256    HB   ILE  33           HB       ILE  33  11.649   0.096   2.147
  257   1HG1  ILE  33          1HG1      ILE  33   8.711   0.834   1.996
  258   2HG1  ILE  33          2HG1      ILE  33  10.039   1.904   1.504
  259   1HG2  ILE  33          2HG2      ILE  33   9.305  -1.129   3.599
  260   2HG2  ILE  33          3HG2      ILE  33  10.043  -1.798   2.112
  261   3HG2  ILE  33          1HG2      ILE  33  10.991  -1.674   3.604
  262   1HD1  ILE  33          2HD1      ILE  33  10.799  -0.196   0.089
  263   2HD1  ILE  33          3HD1      ILE  33   9.106  -0.664   0.261
  264   3HD1  ILE  33          1HD1      ILE  33   9.560   0.877  -0.517
  265    H    ASP  34           H        ASP  34  11.076   3.031   5.429
  266    HA   ASP  34           HA       ASP  34  13.203   4.248   3.857
  267   1HB   ASP  34          1HB       ASP  34  11.579   5.781   4.822
  268   2HB   ASP  34          2HB       ASP  34  11.706   5.027   6.411
  269    H    GLY  35           H        GLY  35  15.378   4.507   4.632
  270   1HA   GLY  35          1HA       GLY  35  17.206   4.368   5.974
  271   2HA   GLY  35          2HA       GLY  35  16.155   3.898   7.306
  272    H    ASN  36           H        ASN  36  15.084   1.610   6.445
  273    HA   ASN  36           HA       ASN  36  17.219  -0.446   6.378
  274   1HB   ASN  36          1HB       ASN  36  15.648  -1.510   7.566
  275   2HB   ASN  36          2HB       ASN  36  14.488  -0.223   7.319
  276   1HD2  ASN  36          2HD2      ASN  36  12.594  -1.796   4.865
  277   2HD2  ASN  36          1HD2      ASN  36  13.493  -0.303   4.961
  278    H    ALA  37           H        ALA  37  17.257  -2.001   4.690
  279    HA   ALA  37           HA       ALA  37  15.709  -1.346   2.242
  280   1HB   ALA  37          1HB       ALA  37  17.946  -0.427   1.861
  281   2HB   ALA  37          2HB       ALA  37  18.658  -2.003   2.257
  282   3HB   ALA  37          3HB       ALA  37  17.643  -1.832   0.811
  283    H    ALA  38           H        ALA  38  16.731  -3.711   4.542
  284    HA   ALA  38           HA       ALA  38  16.577  -6.085   3.048
  285   1HB   ALA  38          1HB       ALA  38  15.589  -5.471   5.890
  286   2HB   ALA  38          2HB       ALA  38  15.737  -7.098   5.212
  287   3HB   ALA  38          3HB       ALA  38  17.181  -6.112   5.441
  288    H    LYS  39           H        LYS  39  13.938  -4.382   4.768
  289    HA   LYS  39           HA       LYS  39  11.949  -6.104   3.562
  290   1HB   LYS  39          1HB       LYS  39  11.781  -4.874   5.795
  291   2HB   LYS  39          2HB       LYS  39  11.617  -3.390   4.890
  292   1HG   LYS  39          1HG       LYS  39   9.418  -3.712   5.183
  293   2HG   LYS  39          2HG       LYS  39   9.546  -4.759   3.798
  294   1HD   LYS  39          1HD       LYS  39   9.610  -5.569   6.711
  295   2HD   LYS  39          2HD       LYS  39   8.250  -5.773   5.609
  296   1HE   LYS  39          1HE       LYS  39   9.568  -7.373   4.252
  297   2HE   LYS  39          2HE       LYS  39  10.947  -7.186   5.357
  298   1HZ   LYS  39          1HZ       LYS  39   8.285  -8.236   6.116
  299   2HZ   LYS  39          2HZ       LYS  39   9.633  -9.153   5.861
  300   3HZ   LYS  39          3HZ       LYS  39   9.574  -8.111   7.123
  301    H    ARG  40           H        ARG  40  13.534  -3.228   2.405
  302    HA   ARG  40           HA       ARG  40  11.512  -2.553   0.412
  303   1HB   ARG  40          1HB       ARG  40  13.287  -0.927   1.153
  304   2HB   ARG  40          2HB       ARG  40  14.508  -1.912   0.352
  305   1HG   ARG  40          1HG       ARG  40  13.833  -1.339  -1.773
  306   2HG   ARG  40          2HG       ARG  40  12.152  -1.141  -1.321
  307   1HD   ARG  40          1HD       ARG  40  12.874   1.025  -1.856
  308   2HD   ARG  40          2HD       ARG  40  12.806   1.015  -0.097
  309    HE   ARG  40           HE       ARG  40  15.141   1.144  -1.881
  310   1HH1  ARG  40          2HH2      ARG  40  14.025   1.489   1.518
  311   2HH1  ARG  40          1HH2      ARG  40  15.589   1.482   2.159
  312   1HH2  ARG  40          2HH1      ARG  40  17.192   1.371  -1.061
  313   2HH2  ARG  40          1HH1      ARG  40  17.441   1.944   0.551
  314    H    GLU  41           H        GLU  41  14.546  -4.527   0.440
  315    HA   GLU  41           HA       GLU  41  14.242  -5.385  -2.274
  316   1HB   GLU  41          1HB       GLU  41  15.872  -6.409   0.074
  317   2HB   GLU  41          2HB       GLU  41  15.927  -7.121  -1.553
  318   1HG   GLU  41          1HG       GLU  41  16.546  -4.945  -2.533
  319   2HG   GLU  41          2HG       GLU  41  16.484  -4.171  -0.955
  320    H    GLU  42           H        GLU  42  13.071  -6.720   0.877
  321    HA   GLU  42           HA       GLU  42  11.950  -9.045  -0.319
  322   1HB   GLU  42          1HB       GLU  42  12.288  -8.613   2.149
  323   2HB   GLU  42          2HB       GLU  42  10.984  -7.460   2.090
  324   1HG   GLU  42          1HG       GLU  42   9.940  -9.371   2.907
  325   2HG   GLU  42          2HG       GLU  42   9.512  -9.451   1.204
  326    H    MET  43           H        MET  43  10.641  -5.692   0.003
  327    HA   MET  43           HA       MET  43   8.015  -6.277  -1.009
  328   1HB   MET  43          1HB       MET  43   8.569  -4.150   0.164
  329   2HB   MET  43          2HB       MET  43   9.614  -3.699  -1.178
  330   1HG   MET  43          1HG       MET  43   7.500  -3.969  -2.681
  331   2HG   MET  43          2HG       MET  43   6.603  -3.999  -1.173
  332   1HE   MET  43          3HE       MET  43   8.927  -2.071  -3.602
  333   2HE   MET  43          1HE       MET  43   8.947  -0.413  -2.967
  334   3HE   MET  43          2HE       MET  43   9.839  -1.694  -2.129
  335    H    ILE  44           H        ILE  44  11.114  -5.370  -2.541
  336    HA   ILE  44           HA       ILE  44  10.218  -5.160  -5.200
  337    HB   ILE  44           HB       ILE  44  12.893  -5.821  -3.960
  338   1HG1  ILE  44          1HG1      ILE  44  12.083  -3.532  -5.720
  339   2HG1  ILE  44          2HG1      ILE  44  11.630  -3.486  -4.020
  340   1HG2  ILE  44          2HG2      ILE  44  12.271  -5.598  -6.929
  341   2HG2  ILE  44          3HG2      ILE  44  13.897  -5.523  -6.221
  342   3HG2  ILE  44          1HG2      ILE  44  12.960  -7.006  -6.094
  343   1HD1  ILE  44          1HD1      ILE  44  14.471  -3.626  -5.060
  344   2HD1  ILE  44          2HD1      ILE  44  13.659  -2.199  -4.400
  345   3HD1  ILE  44          3HD1      ILE  44  13.999  -3.575  -3.349
  346    H    LYS  45           H        LYS  45  11.298  -8.142  -3.381
  347    HA   LYS  45           HA       LYS  45  10.636  -9.817  -5.677
  348   1HB   LYS  45          1HB       LYS  45  10.984 -10.507  -2.733
  349   2HB   LYS  45          2HB       LYS  45  10.501 -11.675  -3.958
  350   1HG   LYS  45          1HG       LYS  45  12.774 -12.026  -3.792
  351   2HG   LYS  45          2HG       LYS  45  12.612 -11.076  -5.271
  352   1HD   LYS  45          1HD       LYS  45  13.382  -9.058  -4.094
  353   2HD   LYS  45          2HD       LYS  45  13.296  -9.919  -2.543
  354   1HE   LYS  45          1HE       LYS  45  15.567  -9.872  -3.051
  355   2HE   LYS  45          2HE       LYS  45  15.045 -11.517  -3.426
  356   1HZ   LYS  45          1HZ       LYS  45  14.952 -10.786  -5.787
  357   2HZ   LYS  45          2HZ       LYS  45  15.603  -9.330  -5.339
  358   3HZ   LYS  45          3HZ       LYS  45  16.441 -10.734  -5.119
  359    H    ARG  46           H        ARG  46   8.681  -8.582  -2.931
  360    HA   ARG  46           HA       ARG  46   6.472 -10.326  -3.417
  361   1HB   ARG  46          1HB       ARG  46   6.555  -7.601  -2.077
  362   2HB   ARG  46          2HB       ARG  46   5.093  -8.565  -2.238
  363   1HG   ARG  46          1HG       ARG  46   6.062 -10.408  -0.982
  364   2HG   ARG  46          2HG       ARG  46   7.566  -9.507  -0.765
  365   1HD   ARG  46          1HD       ARG  46   6.305  -7.731   0.443
  366   2HD   ARG  46          2HD       ARG  46   4.812  -8.671   0.256
  367    HE   ARG  46           HE       ARG  46   6.779 -10.325   1.462
  368   1HH1  ARG  46          2HH2      ARG  46   4.546  -7.679   2.466
  369   2HH1  ARG  46          1HH2      ARG  46   4.456  -8.298   4.078
  370   1HH2  ARG  46          2HH1      ARG  46   6.662 -10.968   3.505
  371   2HH2  ARG  46          1HH1      ARG  46   5.758 -10.151   4.736
  372    H    SER  47           H        SER  47   7.404  -7.407  -5.216
  373    HA   SER  47           HA       SER  47   4.967  -7.889  -6.921
  374   1HB   SER  47          1HB       SER  47   4.722  -5.437  -6.996
  375   2HB   SER  47          2HB       SER  47   4.605  -6.063  -5.344
  376    HG   SER  47           HG       SER  47   6.006  -4.456  -5.151
  377    H    GLY  48           H        GLY  48   8.307  -7.830  -7.099
  378   1HA   GLY  48          1HA       GLY  48   9.748  -7.695  -8.839
  379   2HA   GLY  48          2HA       GLY  48   8.405  -7.336  -9.937
  380    H    ARG  49           H        ARG  49   8.118  -5.068  -7.415
  381    HA   ARG  49           HA       ARG  49   9.456  -3.067  -9.225
  382   1HB   ARG  49          1HB       ARG  49   6.920  -2.924  -7.576
  383   2HB   ARG  49          2HB       ARG  49   7.612  -1.551  -8.443
  384   1HG   ARG  49          1HG       ARG  49   6.997  -2.355 -10.531
  385   2HG   ARG  49          2HG       ARG  49   6.976  -4.060 -10.025
  386   1HD   ARG  49          1HD       ARG  49   4.998  -3.733  -8.679
  387   2HD   ARG  49          2HD       ARG  49   5.031  -1.991  -8.977
  388    HE   ARG  49           HE       ARG  49   4.000  -2.226 -10.911
  389   1HH1  ARG  49          2HH2      ARG  49   5.149  -5.587 -10.160
  390   2HH1  ARG  49          1HH2      ARG  49   4.178  -6.257 -11.408
  391   1HH2  ARG  49          2HH1      ARG  49   2.875  -3.200 -12.612
  392   2HH2  ARG  49          1HH1      ARG  49   2.721  -4.922 -12.680
  393    H    THR  50           H        THR  50  10.558  -1.385  -8.348
  394    HA   THR  50           HA       THR  50  11.437  -1.604  -5.562
  395    HB   THR  50           HB       THR  50  13.059   0.142  -6.303
  396    HG1  THR  50           HG1      THR  50  12.723   1.260  -8.003
  397   1HG2  THR  50          3HG2      THR  50  13.695  -2.210  -6.864
  398   2HG2  THR  50          1HG2      THR  50  12.889  -2.051  -8.435
  399   3HG2  THR  50          2HG2      THR  50  14.298  -1.052  -8.049
  400    H    THR  51           H        THR  51   9.205   0.344  -7.477
  401    HA   THR  51           HA       THR  51   9.555   2.660  -5.932
  402    HB   THR  51           HB       THR  51   7.504   3.451  -7.165
  403    HG1  THR  51           HG1      THR  51   6.290   1.736  -7.468
  404   1HG2  THR  51          1HG2      THR  51   9.698   2.069  -8.776
  405   2HG2  THR  51          2HG2      THR  51   8.538   3.221  -9.433
  406   3HG2  THR  51          3HG2      THR  51   9.685   3.729  -8.178
  407    H    VAL  52           H        VAL  52   8.095   3.761  -4.562
  408    HA   VAL  52           HA       VAL  52   6.019   2.126  -3.248
  409    HB   VAL  52           HB       VAL  52   6.770   4.008  -1.324
  410   1HG1  VAL  52          1HG1      VAL  52   6.112   1.657  -0.988
  411   2HG1  VAL  52          2HG1      VAL  52   7.674   1.143  -1.623
  412   3HG1  VAL  52          3HG1      VAL  52   7.578   2.083  -0.097
  413   1HG2  VAL  52          2HG2      VAL  52   8.919   4.513  -2.449
  414   2HG2  VAL  52          3HG2      VAL  52   9.130   3.657  -0.895
  415   3HG2  VAL  52          1HG2      VAL  52   9.349   2.786  -2.411
  416    HA   PRO  53           HA       PRO  53   4.588   3.011  -1.325
  417   1HB   PRO  53          1HB       PRO  53   1.883   3.214  -1.210
  418   2HB   PRO  53          2HB       PRO  53   2.970   4.491  -0.593
  419   1HG   PRO  53          1HG       PRO  53   1.539   4.380  -3.259
  420   2HG   PRO  53          2HG       PRO  53   1.695   5.761  -2.133
  421   1HD   PRO  53          1HD       PRO  53   3.334   5.336  -4.349
  422   2HD   PRO  53          2HD       PRO  53   3.841   6.256  -2.904
  423    H    GLN  54           H        GLN  54   3.187   0.996  -1.194
  424    HA   GLN  54           HA       GLN  54   2.052  -0.038  -3.693
  425   1HB   GLN  54          1HB       GLN  54   4.115  -1.613  -2.088
  426   2HB   GLN  54          2HB       GLN  54   3.057  -2.228  -3.363
  427   1HG   GLN  54          1HG       GLN  54   4.167  -0.502  -4.925
  428   2HG   GLN  54          2HG       GLN  54   5.329  -0.230  -3.607
  429   1HE2  GLN  54          2HE2      GLN  54   7.301  -2.709  -5.318
  430   2HE2  GLN  54          1HE2      GLN  54   7.018  -1.007  -5.053
  431    H    ILE  55           H        ILE  55  -0.011  -0.995  -3.046
  432    HA   ILE  55           HA       ILE  55  -0.238  -1.507  -0.139
  433    HB   ILE  55           HB       ILE  55  -2.417  -1.052  -2.208
  434   1HG1  ILE  55          1HG1      ILE  55  -3.004   0.880  -0.648
  435   2HG1  ILE  55          2HG1      ILE  55  -1.397   0.726   0.034
  436   1HG2  ILE  55          2HG2      ILE  55  -2.573  -1.512   0.815
  437   2HG2  ILE  55          3HG2      ILE  55  -3.949  -1.104  -0.219
  438   3HG2  ILE  55          1HG2      ILE  55  -3.136  -2.641  -0.428
  439   1HD1  ILE  55          2HD1      ILE  55  -1.844   1.207  -2.933
  440   2HD1  ILE  55          3HD1      ILE  55  -1.818   2.526  -1.745
  441   3HD1  ILE  55          1HD1      ILE  55  -0.385   1.524  -1.950
  442    H    PHE  56           H        PHE  56  -1.012  -3.575   0.404
  443    HA   PHE  56           HA       PHE  56  -1.354  -5.590  -1.713
  444   1HB   PHE  56          1HB       PHE  56   0.387  -5.875   0.776
  445   2HB   PHE  56          2HB       PHE  56  -0.198  -7.223  -0.176
  446    HD1  PHE  56           HD1      PHE  56   1.954  -4.148  -0.397
  447    HD2  PHE  56           HD2      PHE  56   1.022  -8.021  -2.058
  448    HE1  PHE  56           HE1      PHE  56   4.052  -4.091  -1.748
  449    HE2  PHE  56           HE2      PHE  56   3.111  -7.961  -3.363
  450    HZ   PHE  56           HZ       PHE  56   4.663  -6.012  -3.179
  451    H    ILE  57           H        ILE  57  -2.969  -7.092  -1.071
  452    HA   ILE  57           HA       ILE  57  -4.169  -6.795   1.590
  453    HB   ILE  57           HB       ILE  57  -5.837  -6.567  -0.932
  454   1HG1  ILE  57          1HG1      ILE  57  -5.505  -4.669   1.433
  455   2HG1  ILE  57          2HG1      ILE  57  -4.769  -4.437  -0.140
  456   1HG2  ILE  57          1HG2      ILE  57  -6.517  -7.178   1.981
  457   2HG2  ILE  57          2HG2      ILE  57  -7.705  -6.440   0.923
  458   3HG2  ILE  57          3HG2      ILE  57  -7.045  -8.019   0.520
  459   1HD1  ILE  57          1HD1      ILE  57  -7.084  -4.376  -1.164
  460   2HD1  ILE  57          2HD1      ILE  57  -7.729  -4.307   0.492
  461   3HD1  ILE  57          3HD1      ILE  57  -6.660  -3.027  -0.091
  462    H    ASP  58           H        ASP  58  -4.466  -8.785   2.400
  463    HA   ASP  58           HA       ASP  58  -4.364 -11.070   2.609
  464   1HB   ASP  58          1HB       ASP  58  -6.402 -10.581   0.483
  465   2HB   ASP  58          2HB       ASP  58  -6.213 -12.139   1.306
  466    H    ALA  59           H        ALA  59  -2.326 -10.282   1.370
  467    HA   ALA  59           HA       ALA  59  -0.389 -10.904   0.395
  468   1HB   ALA  59          1HB       ALA  59  -0.885 -13.062   1.504
  469   2HB   ALA  59          2HB       ALA  59  -1.633 -13.637   0.021
  470   3HB   ALA  59          3HB       ALA  59   0.095 -13.237   0.038
  471    H    GLN  60           H        GLN  60  -2.906 -10.131  -1.395
  472    HA   GLN  60           HA       GLN  60  -1.637 -10.743  -4.026
  473   1HB   GLN  60          1HB       GLN  60  -4.270  -9.387  -3.342
  474   2HB   GLN  60          2HB       GLN  60  -3.672  -9.708  -4.957
  475   1HG   GLN  60          1HG       GLN  60  -3.804 -12.140  -4.571
  476   2HG   GLN  60          2HG       GLN  60  -4.314 -11.880  -2.902
  477   1HE2  GLN  60          2HE2      GLN  60  -7.721 -11.746  -3.763
  478   2HE2  GLN  60          1HE2      GLN  60  -6.447 -12.173  -2.649
  479    H    HIS  61           H        HIS  61  -1.064  -8.932  -5.347
  480    HA   HIS  61           HA       HIS  61  -0.190  -6.543  -3.830
  481   1HB   HIS  61          1HB       HIS  61   1.364  -7.756  -5.397
  482   2HB   HIS  61          2HB       HIS  61   0.252  -7.430  -6.727
  483    HD1  HIS  61           HD1      HIS  61   1.215  -5.446  -8.147
  484    HD2  HIS  61           HD2      HIS  61   1.795  -5.093  -3.969
  485    HE1  HIS  61           HE1      HIS  61   2.824  -3.477  -7.783
  486    HE2  HIS  61           HE2      HIS  61   3.222  -3.330  -5.215
  487    H    ILE  62           H        ILE  62  -1.191  -4.505  -4.137
  488    HA   ILE  62           HA       ILE  62  -3.532  -4.438  -5.921
  489    HB   ILE  62           HB       ILE  62  -2.277  -2.125  -4.382
  490   1HG1  ILE  62          1HG1      ILE  62  -2.869  -3.456  -2.664
  491   2HG1  ILE  62          2HG1      ILE  62  -4.255  -2.409  -2.834
  492   1HG2  ILE  62          1HG2      ILE  62  -4.915  -2.450  -5.838
  493   2HG2  ILE  62          2HG2      ILE  62  -4.556  -1.117  -4.715
  494   3HG2  ILE  62          3HG2      ILE  62  -3.619  -1.303  -6.192
  495   1HD1  ILE  62          1HD1      ILE  62  -5.499  -4.211  -4.029
  496   2HD1  ILE  62          2HD1      ILE  62  -4.138  -5.317  -3.727
  497   3HD1  ILE  62          3HD1      ILE  62  -5.044  -4.643  -2.381
  498    H    GLY  63           H        GLY  63  -0.806  -2.170  -5.594
  499   1HA   GLY  63          1HA       GLY  63   0.593  -2.186  -7.906
  500   2HA   GLY  63          2HA       GLY  63  -1.002  -1.536  -8.373
  501    H    GLY  64           H        GLY  64  -0.484   0.586  -8.632
  502   1HA   GLY  64          1HA       GLY  64   0.968   2.137  -6.650
  503   2HA   GLY  64          2HA       GLY  64   0.179   2.701  -8.123
  504    H    TYR  65           H        TYR  65  -0.183   4.342  -6.241
  505    HA   TYR  65           HA       TYR  65  -2.410   3.982  -4.448
  506   1HB   TYR  65          1HB       TYR  65  -0.647   5.642  -4.068
  507   2HB   TYR  65          2HB       TYR  65  -0.969   6.341  -5.657
  508    HD1  TYR  65           HD2      TYR  65  -3.816   5.609  -3.322
  509    HD2  TYR  65           HD1      TYR  65  -1.039   8.527  -4.902
  510    HE1  TYR  65           HE2      TYR  65  -5.277   7.438  -2.553
  511    HE2  TYR  65           HE1      TYR  65  -2.498  10.331  -4.150
  512    HH   TYR  65           HH       TYR  65  -4.731  10.782  -3.602
  513    H    ASP  66           H        ASP  66  -2.003   5.362  -7.766
  514    HA   ASP  66           HA       ASP  66  -4.706   6.228  -8.039
  515   1HB   ASP  66          1HB       ASP  66  -2.956   5.212 -10.298
  516   2HB   ASP  66          2HB       ASP  66  -4.288   6.319 -10.391
  517    H    ASP  67           H        ASP  67  -3.042   3.210  -8.649
  518    HA   ASP  67           HA       ASP  67  -5.203   1.705  -9.789
  519   1HB   ASP  67          1HB       ASP  67  -2.860   0.646  -8.155
  520   2HB   ASP  67          2HB       ASP  67  -3.980  -0.321  -9.081
  521    H    LEU  68           H        LEU  68  -4.056   2.092  -6.349
  522    HA   LEU  68           HA       LEU  68  -6.128   0.533  -5.194
  523   1HB   LEU  68          1HB       LEU  68  -4.091   1.339  -3.927
  524   2HB   LEU  68          2HB       LEU  68  -4.782   2.963  -3.955
  525    HG   LEU  68           HG       LEU  68  -6.923   1.800  -2.846
  526   1HD1  LEU  68          3HD1      LEU  68  -4.734  -0.184  -2.194
  527   2HD1  LEU  68          1HD1      LEU  68  -6.311  -0.087  -1.382
  528   3HD1  LEU  68          2HD1      LEU  68  -6.234  -0.510  -3.092
  529   1HD2  LEU  68          3HD2      LEU  68  -4.411   2.369  -1.298
  530   2HD2  LEU  68          1HD2      LEU  68  -5.696   3.499  -1.747
  531   3HD2  LEU  68          2HD2      LEU  68  -6.055   2.175  -0.633
  532    H    TYR  69           H        TYR  69  -5.994   4.068  -5.874
  533    HA   TYR  69           HA       TYR  69  -8.478   4.827  -4.815
  534   1HB   TYR  69          1HB       TYR  69  -6.993   6.480  -5.774
  535   2HB   TYR  69          2HB       TYR  69  -7.058   5.753  -7.350
  536    HD1  TYR  69           HD2      TYR  69  -9.304   7.439  -4.827
  537    HD2  TYR  69           HD1      TYR  69  -8.755   6.199  -8.920
  538    HE1  TYR  69           HE2      TYR  69 -11.377   8.650  -5.483
  539    HE2  TYR  69           HE1      TYR  69 -10.806   7.377  -9.576
  540    HH   TYR  69           HH       TYR  69 -12.983   8.871  -7.237
  541    H    ALA  70           H        ALA  70  -7.794   3.548  -8.038
  542    HA   ALA  70           HA       ALA  70 -10.535   3.659  -8.930
  543   1HB   ALA  70          2HB       ALA  70  -8.563   3.435 -10.442
  544   2HB   ALA  70          3HB       ALA  70  -8.330   1.769  -9.887
  545   3HB   ALA  70          1HB       ALA  70  -9.807   2.204 -10.772
  546    H    LEU  71           H        LEU  71  -8.615   1.193  -7.386
  547    HA   LEU  71           HA       LEU  71 -10.497  -1.006  -7.208
  548   1HB   LEU  71          1HB       LEU  71  -7.944  -0.962  -6.906
  549   2HB   LEU  71          2HB       LEU  71  -8.261  -0.424  -5.273
  550    HG   LEU  71           HG       LEU  71  -9.844  -2.791  -6.244
  551   1HD1  LEU  71          3HD1      LEU  71  -7.538  -3.329  -6.988
  552   2HD1  LEU  71          1HD1      LEU  71  -6.961  -3.013  -5.334
  553   3HD1  LEU  71          2HD1      LEU  71  -8.089  -4.355  -5.641
  554   1HD2  LEU  71          1HD2      LEU  71 -10.045  -1.707  -4.028
  555   2HD2  LEU  71          2HD2      LEU  71  -9.673  -3.433  -3.974
  556   3HD2  LEU  71          3HD2      LEU  71  -8.402  -2.203  -3.647
  557    H    ASP  72           H        ASP  72  -9.847   1.764  -5.075
  558    HA   ASP  72           HA       ASP  72 -11.683   0.896  -3.045
  559   1HB   ASP  72          1HB       ASP  72  -9.711   2.249  -2.521
  560   2HB   ASP  72          2HB       ASP  72 -10.301   3.558  -3.552
  561    H    ALA  73           H        ALA  73 -11.782   3.571  -5.440
  562    HA   ALA  73           HA       ALA  73 -14.325   4.468  -4.645
  563   1HB   ALA  73          3HB       ALA  73 -12.715   5.881  -5.845
  564   2HB   ALA  73          1HB       ALA  73 -12.872   4.868  -7.293
  565   3HB   ALA  73          2HB       ALA  73 -14.258   5.828  -6.719
  566    H    ARG  74           H        ARG  74 -13.517   1.801  -6.734
  567    HA   ARG  74           HA       ARG  74 -16.249   1.568  -7.779
  568   1HB   ARG  74          1HB       ARG  74 -15.466  -0.117  -9.058
  569   2HB   ARG  74          2HB       ARG  74 -14.060   0.902  -8.927
  570   1HG   ARG  74          1HG       ARG  74 -13.154  -0.680  -7.179
  571   2HG   ARG  74          2HG       ARG  74 -14.517  -1.758  -7.468
  572   1HD   ARG  74          1HD       ARG  74 -13.857  -1.632  -9.983
  573   2HD   ARG  74          2HD       ARG  74 -12.405  -0.806  -9.459
  574    HE   ARG  74           HE       ARG  74 -11.484  -2.765  -8.760
  575   1HH1  ARG  74          2HH2      ARG  74 -14.894  -3.423  -9.689
  576   2HH1  ARG  74          1HH2      ARG  74 -14.573  -5.115  -9.906
  577   1HH2  ARG  74          2HH1      ARG  74 -11.207  -5.027  -9.070
  578   2HH2  ARG  74          1HH1      ARG  74 -12.541  -5.994  -9.661
  579    H    GLY  75           H        GLY  75 -14.812   0.944  -4.819
  580   1HA   GLY  75          1HA       GLY  75 -15.667  -0.079  -2.943
  581   2HA   GLY  75          2HA       GLY  75 -17.044  -0.661  -3.895
  582    H    GLY  76           H        GLY  76 -13.559  -1.282  -4.708
  583   1HA   GLY  76          1HA       GLY  76 -14.067  -4.188  -4.431
  584   2HA   GLY  76          2HA       GLY  76 -12.780  -3.395  -5.349
  585    H    LEU  77           H        LEU  77 -12.302  -1.457  -2.971
  586    HA   LEU  77           HA       LEU  77 -10.319  -3.126  -1.616
  587   1HB   LEU  77          1HB       LEU  77 -10.094  -0.599  -2.107
  588   2HB   LEU  77          2HB       LEU  77 -11.227  -0.317  -0.820
  589    HG   LEU  77           HG       LEU  77  -8.408  -1.370  -0.645
  590   1HD1  LEU  77          2HD1      LEU  77  -8.816   1.067  -0.760
  591   2HD1  LEU  77          3HD1      LEU  77  -9.897   0.963   0.638
  592   3HD1  LEU  77          1HD1      LEU  77  -8.165   0.612   0.824
  593   1HD2  LEU  77          3HD2      LEU  77 -10.424  -1.362   1.642
  594   2HD2  LEU  77          1HD2      LEU  77  -9.463  -2.738   1.040
  595   3HD2  LEU  77          2HD2      LEU  77  -8.660  -1.417   1.858
  596    H    ASP  78           H        ASP  78 -13.383  -1.515  -0.875
  597    HA   ASP  78           HA       ASP  78 -13.478  -1.977   1.828
  598   1HB   ASP  78          1HB       ASP  78 -15.063  -0.517   0.864
  599   2HB   ASP  78          2HB       ASP  78 -15.764  -1.772  -0.152
  600    HA   PRO  79           HA       PRO  79 -15.471  -6.270   1.565
  601   1HB   PRO  79          1HB       PRO  79 -15.763  -7.666  -0.759
  602   2HB   PRO  79          2HB       PRO  79 -16.947  -6.447  -0.199
  603   1HG   PRO  79          1HG       PRO  79 -14.655  -6.028  -2.161
  604   2HG   PRO  79          2HG       PRO  79 -16.385  -5.603  -2.386
  605   1HD   PRO  79          1HD       PRO  79 -14.596  -3.775  -1.545
  606   2HD   PRO  79          2HD       PRO  79 -16.241  -3.837  -0.839
  607    H    LEU  80           H        LEU  80 -12.578  -5.497  -0.351
  608    HA   LEU  80           HA       LEU  80 -11.441  -8.194  -0.034
  609   1HB   LEU  80          1HB       LEU  80 -10.420  -5.538  -1.058
  610   2HB   LEU  80          2HB       LEU  80  -9.270  -6.740  -0.525
  611    HG   LEU  80           HG       LEU  80 -11.306  -7.240  -2.712
  612   1HD1  LEU  80          1HD1      LEU  80  -8.323  -6.669  -2.809
  613   2HD1  LEU  80          2HD1      LEU  80  -9.326  -7.146  -4.197
  614   3HD1  LEU  80          3HD1      LEU  80  -9.622  -5.607  -3.376
  615   1HD2  LEU  80          3HD2      LEU  80  -9.050  -8.920  -1.529
  616   2HD2  LEU  80          1HD2      LEU  80 -10.757  -9.373  -1.691
  617   3HD2  LEU  80          2HD2      LEU  80  -9.742  -9.241  -3.125
  618    H    LEU  81           H        LEU  81 -11.608  -5.228   1.803
  619    HA   LEU  81           HA       LEU  81  -9.424  -5.359   3.457
  620   1HB   LEU  81          1HB       LEU  81 -11.054  -3.523   3.321
  621   2HB   LEU  81          2HB       LEU  81 -12.280  -4.508   4.091
  622    HG   LEU  81           HG       LEU  81 -11.274  -2.715   5.467
  623   1HD1  LEU  81          1HD1      LEU  81 -12.481  -4.670   6.483
  624   2HD1  LEU  81          2HD1      LEU  81 -10.893  -5.394   6.831
  625   3HD1  LEU  81          3HD1      LEU  81 -11.335  -3.844   7.538
  626   1HD2  LEU  81          3HD2      LEU  81  -8.924  -3.066   4.728
  627   2HD2  LEU  81          1HD2      LEU  81  -9.118  -2.962   6.476
  628   3HD2  LEU  81          2HD2      LEU  81  -8.868  -4.546   5.733
  629    H    LYS  82           H        LYS  82 -12.604  -6.833   4.156
  630    HA   LYS  82           HA       LYS  82 -12.353  -7.477   6.723
  631   1HB   LYS  82          1HB       LYS  82 -14.176  -8.994   6.383
  632   2HB   LYS  82          2HB       LYS  82 -14.374  -7.539   5.422
  633   1HG   LYS  82          1HG       LYS  82 -13.341  -8.937   3.473
  634   2HG   LYS  82          2HG       LYS  82 -13.675 -10.332   4.517
  635   1HD   LYS  82          1HD       LYS  82 -16.042  -9.838   4.524
  636   2HD   LYS  82          2HD       LYS  82 -15.791  -8.318   3.670
  637   1HE   LYS  82          1HE       LYS  82 -16.655 -10.211   2.245
  638   2HE   LYS  82          2HE       LYS  82 -15.238  -9.380   1.625
  639   1HZ   LYS  82          1HZ       LYS  82 -13.871 -11.205   2.420
  640   2HZ   LYS  82          2HZ       LYS  82 -15.240 -11.978   2.987
  641   3HZ   LYS  82          3HZ       LYS  82 -15.050 -11.731   1.388
  642   1HB2  GTT  83          1HB2      GTT  83   8.540   6.766  -3.156
  643   2HB2  GTT  83          2HB2      GTT  83   9.893   7.906  -3.391
  644    HA2  GTT  83           HA2      GTT  83   9.401   8.046  -5.798
  645    HN2  GTT  83           HN2      GTT  83   7.276   6.074  -5.457
  646   1HG1  GTT  83          1HG1      GTT  83   4.684   7.256  -6.337
  647   2HG1  GTT  83          2HG1      GTT  83   5.739   5.919  -6.760
  648   1HB1  GTT  83          1HB1      GTT  83   6.257   7.314  -8.929
  649   2HB1  GTT  83          2HB1      GTT  83   4.764   8.165  -8.534
  650    HA1  GTT  83           HA1      GTT  83   3.628   5.893  -8.376
  651   1HN1  GTT  83          1HN1      GTT  83   4.876   4.229  -9.776
  652   2HN1  GTT  83          2HN1      GTT  83   6.208   5.077  -9.454
  653   3HN1  GTT  83          3HN1      GTT  83   5.366   4.373  -8.194
  654    HN3  GTT  83           HN3      GTT  83  11.520   6.621  -4.909
  655   1HA3  GTT  83          1HA3      GTT  83  11.026   3.760  -4.764
  656   2HA3  GTT  83          2HA3      GTT  83  11.720   4.269  -6.313
   
  No H/Q in entry =         656
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  -8.862 -10.169   6.387
    2   2H    ALA   1          2H        ALA   1  -9.985  -9.667   5.303
    3   3H    ALA   1          3H        ALA   1  -8.494 -10.194   4.779
    4    HA   ALA   1           HA       ALA   1  -8.441  -7.923   4.580
    5   1HB   ALA   1          1HB       ALA   1  -9.365  -7.788   7.479
    6   2HB   ALA   1          2HB       ALA   1  -8.840  -6.415   6.497
    7   3HB   ALA   1          3HB       ALA   1 -10.301  -7.312   6.049
    8    H    ASN   2           H        ASN   2  -6.336  -7.906   4.304
    9    HA   ASN   2           HA       ASN   2  -4.538  -7.770   6.682
   10   1HB   ASN   2          1HB       ASN   2  -4.605 -10.139   5.745
   11   2HB   ASN   2          2HB       ASN   2  -3.949  -9.504   4.246
   12   1HD2  ASN   2          2HD2      ASN   2  -0.675  -8.726   5.817
   13   2HD2  ASN   2          1HD2      ASN   2  -1.912  -7.855   4.954
   14    H    VAL   3           H        VAL   3  -5.058  -5.402   5.892
   15    HA   VAL   3           HA       VAL   3  -3.915  -4.622   3.331
   16    HB   VAL   3           HB       VAL   3  -4.837  -2.896   5.664
   17   1HG1  VAL   3          2HG1      VAL   3  -3.445  -1.701   3.990
   18   2HG1  VAL   3          3HG1      VAL   3  -4.505  -2.258   2.690
   19   3HG1  VAL   3          1HG1      VAL   3  -5.127  -1.153   3.926
   20   1HG2  VAL   3          1HG2      VAL   3  -6.734  -4.301   4.935
   21   2HG2  VAL   3          2HG2      VAL   3  -6.961  -2.595   4.562
   22   3HG2  VAL   3          3HG2      VAL   3  -6.515  -3.715   3.266
   23    H    GLU   4           H        GLU   4  -1.717  -4.315   3.069
   24    HA   GLU   4           HA       GLU   4  -0.248  -3.081   5.312
   25   1HB   GLU   4          1HB       GLU   4   1.070  -5.229   3.625
   26   2HB   GLU   4          2HB       GLU   4   1.691  -4.370   5.038
   27   1HG   GLU   4          1HG       GLU   4  -0.228  -5.477   6.368
   28   2HG   GLU   4          2HG       GLU   4  -0.500  -6.453   4.931
   29    H    ILE   5           H        ILE   5   1.320  -1.575   4.586
   30    HA   ILE   5           HA       ILE   5   1.388  -0.959   1.705
   31    HB   ILE   5           HB       ILE   5  -0.533   0.250   2.344
   32   1HG1  ILE   5          1HG1      ILE   5   1.808   2.160   2.468
   33   2HG1  ILE   5          2HG1      ILE   5   1.311   1.390   0.984
   34   1HG2  ILE   5          3HG2      ILE   5  -0.158   0.241   4.868
   35   2HG2  ILE   5          1HG2      ILE   5   0.952   1.609   4.629
   36   3HG2  ILE   5          2HG2      ILE   5  -0.751   1.754   4.190
   37   1HD1  ILE   5          1HD1      ILE   5  -0.929   2.570   1.238
   38   2HD1  ILE   5          2HD1      ILE   5  -0.227   3.430   2.629
   39   3HD1  ILE   5          3HD1      ILE   5   0.481   3.634   1.027
   40    H    TYR   6           H        TYR   6   3.408  -0.790   1.206
   41    HA   TYR   6           HA       TYR   6   5.474  -0.176   3.216
   42   1HB   TYR   6          1HB       TYR   6   5.427  -1.065   0.325
   43   2HB   TYR   6          2HB       TYR   6   6.875  -0.369   1.031
   44    HD1  TYR   6           HD1      TYR   6   7.959  -1.369   2.962
   45    HD2  TYR   6           HD2      TYR   6   4.835  -3.430   0.886
   46    HE1  TYR   6           HE1      TYR   6   9.002  -3.515   3.609
   47    HE2  TYR   6           HE2      TYR   6   5.806  -5.620   1.574
   48    HH   TYR   6           HH       TYR   6   9.101  -5.745   2.649
   49    H    THR   7           H        THR   7   6.439   1.837   3.459
   50    HA   THR   7           HA       THR   7   6.241   3.798   1.282
   51    HB   THR   7           HB       THR   7   5.501   5.516   2.959
   52    HG1  THR   7           HG1      THR   7   5.585   4.623   4.912
   53   1HG2  THR   7          2HG2      THR   7   3.970   4.412   1.223
   54   2HG2  THR   7          3HG2      THR   7   3.416   3.375   2.545
   55   3HG2  THR   7          1HG2      THR   7   3.130   5.114   2.606
   56    H    LYS   8           H        LYS   8   7.700   5.694   1.722
   57    HA   LYS   8           HA       LYS   8   9.547   5.245   3.981
   58   1HB   LYS   8          1HB       LYS   8  11.494   5.679   2.817
   59   2HB   LYS   8          2HB       LYS   8  10.664   4.488   1.849
   60   1HG   LYS   8          1HG       LYS   8  10.067   6.176   0.193
   61   2HG   LYS   8          2HG       LYS   8  10.755   7.445   1.223
   62   1HD   LYS   8          1HD       LYS   8  12.970   6.367   1.121
   63   2HD   LYS   8          2HD       LYS   8  12.332   5.125   0.018
   64   1HE   LYS   8          1HE       LYS   8  11.945   6.732  -1.718
   65   2HE   LYS   8          2HE       LYS   8  12.050   8.084  -0.591
   66   1HZ   LYS   8          3HZ       LYS   8  14.417   7.554  -0.307
   67   2HZ   LYS   8          1HZ       LYS   8  14.279   6.420  -1.529
   68   3HZ   LYS   8          2HZ       LYS   8  13.987   8.005  -1.834
   69    H    GLU   9           H        GLU   9  10.810   7.332   4.405
   70    HA   GLU   9           HA       GLU   9   8.909   9.319   4.968
   71   1HB   GLU   9          1HB       GLU   9  11.570   8.662   5.744
   72   2HB   GLU   9          2HB       GLU   9  11.688  10.297   5.106
   73   1HG   GLU   9          1HG       GLU   9   9.780   9.333   7.270
   74   2HG   GLU   9          2HG       GLU   9  11.254  10.264   7.533
   75    H    THR  10           H        THR  10   9.092  11.609   4.479
   76    HA   THR  10           HA       THR  10   8.858  13.365   3.282
   77    HB   THR  10           HB       THR  10  11.314  13.255   3.638
   78    HG1  THR  10           HG1      THR  10  11.676  14.999   2.116
   79   1HG2  THR  10          2HG2      THR  10  11.353  12.444   0.710
   80   2HG2  THR  10          3HG2      THR  10  12.710  13.259   1.507
   81   3HG2  THR  10          1HG2      THR  10  12.173  11.701   2.110
   82    H    CYS  11           H        CYS  11   8.594  10.544   1.534
   83    HA   CYS  11           HA       CYS  11   7.952  11.604  -1.075
   84   1HB   CYS  11          1HB       CYS  11   7.311   9.006   0.361
   85   2HB   CYS  11          2HB       CYS  11   7.064   9.277  -1.374
   86    HA   PRO  12           HA       PRO  12   3.922  12.907   0.739
   87   1HB   PRO  12          1HB       PRO  12   2.845  14.199  -1.387
   88   2HB   PRO  12          2HB       PRO  12   4.004  14.970  -0.263
   89   1HG   PRO  12          1HG       PRO  12   4.577  13.737  -2.965
   90   2HG   PRO  12          2HG       PRO  12   5.207  15.276  -2.301
   91   1HD   PRO  12          1HD       PRO  12   6.687  12.990  -2.259
   92   2HD   PRO  12          2HD       PRO  12   6.734  14.160  -0.904
   93    H    TYR  13           H        TYR  13   4.394  11.448  -2.502
   94    HA   TYR  13           HA       TYR  13   1.913  10.309  -3.050
   95   1HB   TYR  13          1HB       TYR  13   4.284  10.375  -4.207
   96   2HB   TYR  13          2HB       TYR  13   4.581   8.880  -3.372
   97    HD1  TYR  13           HD1      TYR  13   2.218   7.229  -3.814
   98    HD2  TYR  13           HD2      TYR  13   4.059  10.112  -6.447
   99    HE1  TYR  13           HE1      TYR  13   1.726   5.791  -5.761
  100    HE2  TYR  13           HE2      TYR  13   3.417   8.744  -8.387
  101    HH   TYR  13           HH       TYR  13   2.746   6.627  -9.048
  102    H    SER  14           H        SER  14   4.306   9.239  -0.587
  103    HA   SER  14           HA       SER  14   2.902   6.785   0.051
  104   1HB   SER  14          1HB       SER  14   4.928   6.573   0.981
  105   2HB   SER  14          2HB       SER  14   5.203   8.297   1.121
  106    HG   SER  14           HG       SER  14   4.747   8.173   3.137
  107    H    HIS  15           H        HIS  15   2.933  10.099   1.443
  108    HA   HIS  15           HA       HIS  15   1.042   9.380   3.505
  109   1HB   HIS  15          1HB       HIS  15   1.815  12.130   2.425
  110   2HB   HIS  15          2HB       HIS  15   0.838  11.831   3.851
  111    HD1  HIS  15           HD1      HIS  15   2.073  11.191   6.122
  112    HD2  HIS  15           HD2      HIS  15   4.515  11.730   2.704
  113    HE1  HIS  15           HE1      HIS  15   4.475  11.414   6.949
  114    HE2  HIS  15           HE2      HIS  15   5.936  11.822   4.885
  115    H    ARG  16           H        ARG  16   0.657  10.749   0.281
  116    HA   ARG  16           HA       ARG  16  -2.093  11.295   0.173
  117   1HB   ARG  16          1HB       ARG  16  -0.044  10.226  -1.807
  118   2HB   ARG  16          2HB       ARG  16  -1.688  10.516  -2.294
  119   1HG   ARG  16          1HG       ARG  16  -1.529  12.887  -1.596
  120   2HG   ARG  16          2HG       ARG  16   0.127  12.636  -1.083
  121   1HD   ARG  16          1HD       ARG  16   0.235  13.630  -3.260
  122   2HD   ARG  16          2HD       ARG  16   0.729  11.963  -3.444
  123    HE   ARG  16           HE       ARG  16  -0.958  11.705  -4.955
  124   1HH1  ARG  16          2HH2      ARG  16  -1.618  14.671  -3.200
  125   2HH1  ARG  16          1HH2      ARG  16  -3.244  14.839  -3.748
  126   1HH2  ARG  16          2HH1      ARG  16  -3.250  11.800  -5.650
  127   2HH2  ARG  16          1HH1      ARG  16  -4.004  13.335  -5.431
  128    H    ALA  17           H        ALA  17  -0.478   8.073  -0.323
  129    HA   ALA  17           HA       ALA  17  -2.965   6.712  -0.632
  130   1HB   ALA  17          3HB       ALA  17  -0.791   5.806  -1.402
  131   2HB   ALA  17          1HB       ALA  17  -0.273   5.638   0.287
  132   3HB   ALA  17          2HB       ALA  17  -1.631   4.667  -0.329
  133    H    LYS  18           H        LYS  18  -1.347   7.779   2.249
  134    HA   LYS  18           HA       LYS  18  -2.945   6.040   4.042
  135   1HB   LYS  18          1HB       LYS  18  -1.146   8.434   4.598
  136   2HB   LYS  18          2HB       LYS  18  -2.230   7.754   5.802
  137   1HG   LYS  18          1HG       LYS  18  -0.185   6.760   6.209
  138   2HG   LYS  18          2HG       LYS  18  -1.189   5.528   5.471
  139   1HD   LYS  18          1HD       LYS  18   0.001   5.549   3.440
  140   2HD   LYS  18          2HD       LYS  18   0.672   7.159   3.749
  141   1HE   LYS  18          1HE       LYS  18   1.349   5.147   5.799
  142   2HE   LYS  18          2HE       LYS  18   2.018   4.775   4.213
  143   1HZ   LYS  18          2HZ       LYS  18   2.320   7.427   5.472
  144   2HZ   LYS  18          3HZ       LYS  18   3.395   6.197   5.716
  145   3HZ   LYS  18          1HZ       LYS  18   3.184   6.813   4.198
  146    H    ALA  19           H        ALA  19  -2.989   9.515   3.066
  147    HA   ALA  19           HA       ALA  19  -5.368  10.153   4.445
  148   1HB   ALA  19          1HB       ALA  19  -4.354  11.196   1.764
  149   2HB   ALA  19          2HB       ALA  19  -5.591  11.969   2.773
  150   3HB   ALA  19          3HB       ALA  19  -3.922  11.834   3.369
  151    H    LEU  20           H        LEU  20  -4.927   8.340   1.484
  152    HA   LEU  20           HA       LEU  20  -7.709   8.337   0.663
  153   1HB   LEU  20          1HB       LEU  20  -5.967   7.863  -0.867
  154   2HB   LEU  20          2HB       LEU  20  -5.373   6.490   0.031
  155    HG   LEU  20           HG       LEU  20  -6.649   6.101  -2.140
  156   1HD1  LEU  20          3HD1      LEU  20  -6.142   4.264  -0.547
  157   2HD1  LEU  20          1HD1      LEU  20  -7.758   4.488   0.172
  158   3HD1  LEU  20          2HD1      LEU  20  -7.595   4.018  -1.526
  159   1HD2  LEU  20          3HD2      LEU  20  -8.551   7.585  -1.688
  160   2HD2  LEU  20          1HD2      LEU  20  -9.063   5.921  -2.048
  161   3HD2  LEU  20          2HD2      LEU  20  -9.077   6.510  -0.380
  162    H    LEU  21           H        LEU  21  -5.745   5.788   2.260
  163    HA   LEU  21           HA       LEU  21  -7.990   4.140   2.913
  164   1HB   LEU  21          1HB       LEU  21  -5.122   4.367   3.793
  165   2HB   LEU  21          2HB       LEU  21  -6.188   3.356   4.750
  166    HG   LEU  21           HG       LEU  21  -6.314   3.013   1.751
  167   1HD1  LEU  21          1HD1      LEU  21  -4.049   1.924   3.433
  168   2HD1  LEU  21          2HD1      LEU  21  -4.436   1.425   1.785
  169   3HD1  LEU  21          3HD1      LEU  21  -3.941   3.093   2.066
  170   1HD2  LEU  21          1HD2      LEU  21  -6.415   1.051   4.085
  171   2HD2  LEU  21          2HD2      LEU  21  -7.809   1.705   3.198
  172   3HD2  LEU  21          3HD2      LEU  21  -6.655   0.641   2.378
  173    H    SER  22           H        SER  22  -6.462   6.755   4.757
  174    HA   SER  22           HA       SER  22  -8.016   6.543   7.121
  175   1HB   SER  22          1HB       SER  22  -5.921   7.794   6.988
  176   2HB   SER  22          2HB       SER  22  -6.604   8.882   5.771
  177    HG   SER  22           HG       SER  22  -7.778   8.636   8.337
  178    H    SER  23           H        SER  23  -8.575   8.409   4.007
  179    HA   SER  23           HA       SER  23 -10.992   9.589   4.742
  180   1HB   SER  23          1HB       SER  23  -9.538   9.752   2.538
  181   2HB   SER  23          2HB       SER  23 -10.591   8.472   1.967
  182    HG   SER  23           HG       SER  23 -12.018   9.978   1.658
  183    H    LYS  24           H        LYS  24 -10.352   6.245   3.802
  184    HA   LYS  24           HA       LYS  24 -13.245   5.590   3.782
  185   1HB   LYS  24          1HB       LYS  24 -10.691   4.158   2.982
  186   2HB   LYS  24          2HB       LYS  24 -12.203   3.272   3.196
  187   1HG   LYS  24          1HG       LYS  24 -11.859   3.833   0.871
  188   2HG   LYS  24          2HG       LYS  24 -13.330   4.563   1.523
  189   1HD   LYS  24          1HD       LYS  24 -12.168   6.763   1.628
  190   2HD   LYS  24          2HD       LYS  24 -10.690   5.981   1.037
  191   1HE   LYS  24          1HE       LYS  24 -11.818   7.283  -0.672
  192   2HE   LYS  24          2HE       LYS  24 -11.738   5.572  -1.101
  193   1HZ   LYS  24          2HZ       LYS  24 -14.099   6.956   0.036
  194   2HZ   LYS  24          3HZ       LYS  24 -13.923   6.495  -1.532
  195   3HZ   LYS  24          1HZ       LYS  24 -14.032   5.362  -0.362
  196    H    GLY  25           H        GLY  25 -11.032   6.013   6.186
  197   1HA   GLY  25          1HA       GLY  25 -11.065   5.512   8.405
  198   2HA   GLY  25          2HA       GLY  25 -12.663   4.804   8.151
  199    H    VAL  26           H        VAL  26  -9.633   3.658   6.555
  200    HA   VAL  26           HA       VAL  26 -10.218   1.014   7.798
  201    HB   VAL  26           HB       VAL  26  -8.359   1.340   5.475
  202   1HG1  VAL  26          1HG1      VAL  26  -8.694  -0.869   6.502
  203   2HG1  VAL  26          2HG1      VAL  26 -10.444  -0.740   6.224
  204   3HG1  VAL  26          3HG1      VAL  26  -9.312  -0.839   4.852
  205   1HG2  VAL  26          1HG2      VAL  26 -11.386   1.405   5.159
  206   2HG2  VAL  26          2HG2      VAL  26 -10.216   2.646   4.641
  207   3HG2  VAL  26          3HG2      VAL  26 -10.225   1.074   3.848
  208    H    SER  27           H        SER  27  -8.622  -0.156   8.814
  209    HA   SER  27           HA       SER  27  -6.148   1.163   9.661
  210   1HB   SER  27          1HB       SER  27  -7.088  -1.706  10.040
  211   2HB   SER  27          2HB       SER  27  -5.749  -0.892  10.877
  212    HG   SER  27           HG       SER  27  -7.195   0.519  11.808
  213    H    PHE  28           H        PHE  28  -4.021   0.079   9.242
  214    HA   PHE  28           HA       PHE  28  -3.695  -1.759   7.105
  215   1HB   PHE  28          1HB       PHE  28  -2.451  -0.133   5.604
  216   2HB   PHE  28          2HB       PHE  28  -4.185   0.109   5.642
  217    HD1  PHE  28           HD2      PHE  28  -0.941   1.535   6.845
  218    HD2  PHE  28           HD1      PHE  28  -5.200   2.105   6.474
  219    HE1  PHE  28           HE2      PHE  28  -0.685   3.915   7.462
  220    HE2  PHE  28           HE1      PHE  28  -4.939   4.484   7.129
  221    HZ   PHE  28           HZ       PHE  28  -2.684   5.390   7.641
  222    H    GLN  29           H        GLN  29  -1.452  -2.378   7.042
  223    HA   GLN  29           HA       GLN  29   0.066  -1.660   9.423
  224   1HB   GLN  29          1HB       GLN  29  -0.610  -4.096   8.531
  225   2HB   GLN  29          2HB       GLN  29   0.850  -3.900   7.569
  226   1HG   GLN  29          1HG       GLN  29   2.216  -3.708   9.537
  227   2HG   GLN  29          2HG       GLN  29   0.805  -3.415  10.565
  228   1HE2  GLN  29          2HE2      GLN  29   1.267  -7.317   9.237
  229   2HE2  GLN  29          1HE2      GLN  29   1.774  -6.033   8.180
  230    H    GLU  30           H        GLU  30   0.871   0.183   8.834
  231    HA   GLU  30           HA       GLU  30   2.192   0.819   6.298
  232   1HB   GLU  30          1HB       GLU  30   1.456   2.454   8.277
  233   2HB   GLU  30          2HB       GLU  30   3.120   2.097   8.820
  234   1HG   GLU  30          1HG       GLU  30   4.040   2.906   6.712
  235   2HG   GLU  30          2HG       GLU  30   2.415   3.246   6.110
  236    H    LEU  31           H        LEU  31   4.275   0.591   5.771
  237    HA   LEU  31           HA       LEU  31   6.106  -1.037   7.504
  238   1HB   LEU  31          1HB       LEU  31   5.667  -1.647   4.615
  239   2HB   LEU  31          2HB       LEU  31   6.700  -2.489   5.749
  240    HG   LEU  31           HG       LEU  31   3.661  -2.355   5.786
  241   1HD1  LEU  31          1HD1      LEU  31   5.659  -4.475   5.000
  242   2HD1  LEU  31          2HD1      LEU  31   3.896  -4.713   5.124
  243   3HD1  LEU  31          3HD1      LEU  31   4.550  -3.562   3.943
  244   1HD2  LEU  31          1HD2      LEU  31   4.588  -2.777   8.118
  245   2HD2  LEU  31          2HD2      LEU  31   3.638  -4.100   7.451
  246   3HD2  LEU  31          3HD2      LEU  31   5.403  -4.205   7.477
  247    HA   PRO  32           HA       PRO  32   8.330   2.688   5.993
  248   1HB   PRO  32          1HB       PRO  32  10.232   1.872   8.154
  249   2HB   PRO  32          2HB       PRO  32   9.458   3.452   7.882
  250   1HG   PRO  32          1HG       PRO  32   8.668   1.741   9.875
  251   2HG   PRO  32          2HG       PRO  32   7.508   2.811   9.023
  252   1HD   PRO  32          1HD       PRO  32   8.003  -0.152   8.637
  253   2HD   PRO  32          2HD       PRO  32   6.476   0.752   8.584
  254    H    ILE  33           H        ILE  33   9.953   2.755   4.487
  255    HA   ILE  33           HA       ILE  33  12.109   0.685   4.486
  256    HB   ILE  33           HB       ILE  33  11.992   0.647   2.021
  257   1HG1  ILE  33          1HG1      ILE  33   9.261   1.128   1.498
  258   2HG1  ILE  33          2HG1      ILE  33   9.879   2.552   2.314
  259   1HG2  ILE  33          3HG2      ILE  33   9.719  -0.448   3.605
  260   2HG2  ILE  33          1HG2      ILE  33  10.182  -0.987   1.960
  261   3HG2  ILE  33          2HG2      ILE  33  11.317  -1.171   3.316
  262   1HD1  ILE  33          1HD1      ILE  33  11.825   2.581   0.695
  263   2HD1  ILE  33          2HD1      ILE  33  10.942   1.331  -0.228
  264   3HD1  ILE  33          3HD1      ILE  33  10.245   2.933   0.018
  265    H    ASP  34           H        ASP  34  11.860   3.822   5.120
  266    HA   ASP  34           HA       ASP  34  13.894   4.718   3.244
  267   1HB   ASP  34          1HB       ASP  34  12.584   6.454   4.516
  268   2HB   ASP  34          2HB       ASP  34  13.212   5.810   6.033
  269    H    GLY  35           H        GLY  35  16.039   4.061   3.351
  270   1HA   GLY  35          1HA       GLY  35  18.040   3.347   4.184
  271   2HA   GLY  35          2HA       GLY  35  17.450   3.655   5.810
  272    H    ASN  36           H        ASN  36  15.158   1.737   5.389
  273    HA   ASN  36           HA       ASN  36  16.506  -0.806   6.009
  274   1HB   ASN  36          1HB       ASN  36  14.619  -0.576   7.344
  275   2HB   ASN  36          2HB       ASN  36  13.688   0.245   6.095
  276   1HD2  ASN  36          2HD2      ASN  36  11.973  -2.660   5.230
  277   2HD2  ASN  36          1HD2      ASN  36  11.850  -1.041   5.872
  278    H    ALA  37           H        ALA  37  17.613  -1.213   4.113
  279    HA   ALA  37           HA       ALA  37  16.258  -1.237   1.536
  280   1HB   ALA  37          1HB       ALA  37  18.651  -0.606   1.814
  281   2HB   ALA  37          2HB       ALA  37  19.005  -2.267   2.330
  282   3HB   ALA  37          3HB       ALA  37  18.434  -1.950   0.684
  283    H    ALA  38           H        ALA  38  16.967  -3.509   4.059
  284    HA   ALA  38           HA       ALA  38  16.843  -5.923   2.606
  285   1HB   ALA  38          1HB       ALA  38  17.731  -5.733   4.873
  286   2HB   ALA  38          2HB       ALA  38  16.112  -5.396   5.518
  287   3HB   ALA  38          3HB       ALA  38  16.472  -6.983   4.797
  288    H    LYS  39           H        LYS  39  14.211  -4.650   4.716
  289    HA   LYS  39           HA       LYS  39  12.366  -6.485   3.477
  290   1HB   LYS  39          1HB       LYS  39  12.382  -5.025   5.863
  291   2HB   LYS  39          2HB       LYS  39  11.114  -4.236   4.911
  292   1HG   LYS  39          1HG       LYS  39  10.100  -6.534   4.513
  293   2HG   LYS  39          2HG       LYS  39  11.353  -7.208   5.559
  294   1HD   LYS  39          1HD       LYS  39   9.357  -6.944   6.878
  295   2HD   LYS  39          2HD       LYS  39  10.535  -5.747   7.428
  296   1HE   LYS  39          1HE       LYS  39   9.438  -4.000   6.092
  297   2HE   LYS  39          2HE       LYS  39   8.262  -5.172   5.466
  298   1HZ   LYS  39          1HZ       LYS  39   8.485  -4.879   8.360
  299   2HZ   LYS  39          2HZ       LYS  39   7.793  -3.655   7.554
  300   3HZ   LYS  39          3HZ       LYS  39   7.169  -5.186   7.419
  301    H    ARG  40           H        ARG  40  13.471  -3.321   2.544
  302    HA   ARG  40           HA       ARG  40  11.280  -2.675   0.790
  303   1HB   ARG  40          1HB       ARG  40  13.051  -1.093   1.542
  304   2HB   ARG  40          2HB       ARG  40  14.250  -1.988   0.628
  305   1HG   ARG  40          1HG       ARG  40  13.104  -1.466  -1.467
  306   2HG   ARG  40          2HG       ARG  40  11.779  -0.704  -0.566
  307   1HD   ARG  40          1HD       ARG  40  13.297   1.009  -1.472
  308   2HD   ARG  40          2HD       ARG  40  13.331   1.008   0.290
  309    HE   ARG  40           HE       ARG  40  15.411  -0.469  -1.248
  310   1HH1  ARG  40          2HH2      ARG  40  14.694   1.882   1.432
  311   2HH1  ARG  40          1HH2      ARG  40  16.349   2.380   1.484
  312   1HH2  ARG  40          2HH1      ARG  40  17.539   0.226  -1.000
  313   2HH2  ARG  40          1HH1      ARG  40  17.947   1.271   0.366
  314    H    GLU  41           H        GLU  41  14.427  -4.491   0.329
  315    HA   GLU  41           HA       GLU  41  13.871  -4.989  -2.422
  316   1HB   GLU  41          1HB       GLU  41  16.070  -4.973  -1.361
  317   2HB   GLU  41          2HB       GLU  41  15.701  -6.418  -0.458
  318   1HG   GLU  41          1HG       GLU  41  15.643  -6.263  -3.507
  319   2HG   GLU  41          2HG       GLU  41  17.125  -6.572  -2.613
  320    H    GLU  42           H        GLU  42  12.971  -6.681   0.584
  321    HA   GLU  42           HA       GLU  42  11.672  -8.916  -0.607
  322   1HB   GLU  42          1HB       GLU  42  12.154  -8.587   1.852
  323   2HB   GLU  42          2HB       GLU  42  10.874  -7.391   1.900
  324   1HG   GLU  42          1HG       GLU  42   9.904  -9.339   2.742
  325   2HG   GLU  42          2HG       GLU  42   9.238  -9.164   1.122
  326    H    MET  43           H        MET  43  10.381  -5.591   0.108
  327    HA   MET  43           HA       MET  43   7.754  -6.059  -0.949
  328   1HB   MET  43          1HB       MET  43   8.380  -3.939   0.315
  329   2HB   MET  43          2HB       MET  43   9.478  -3.506  -0.949
  330   1HG   MET  43          1HG       MET  43   7.400  -3.512  -2.531
  331   2HG   MET  43          2HG       MET  43   6.493  -3.419  -1.035
  332   1HE   MET  43          1HE       MET  43   8.668  -1.720  -3.716
  333   2HE   MET  43          2HE       MET  43   9.215  -0.204  -2.972
  334   3HE   MET  43          3HE       MET  43   9.926  -1.744  -2.453
  335    H    ILE  44           H        ILE  44  10.777  -4.961  -2.549
  336    HA   ILE  44           HA       ILE  44   9.566  -4.426  -5.037
  337    HB   ILE  44           HB       ILE  44  12.422  -5.194  -4.311
  338   1HG1  ILE  44          1HG1      ILE  44  11.108  -2.529  -5.033
  339   2HG1  ILE  44          2HG1      ILE  44  11.498  -3.032  -3.418
  340   1HG2  ILE  44          2HG2      ILE  44  11.360  -4.193  -6.985
  341   2HG2  ILE  44          3HG2      ILE  44  13.077  -4.372  -6.561
  342   3HG2  ILE  44          1HG2      ILE  44  12.046  -5.790  -6.671
  343   1HD1  ILE  44          2HD1      ILE  44  13.929  -3.122  -4.024
  344   2HD1  ILE  44          3HD1      ILE  44  13.504  -2.397  -5.596
  345   3HD1  ILE  44          1HD1      ILE  44  13.190  -1.510  -4.100
  346    H    LYS  45           H        LYS  45  11.184  -7.434  -3.920
  347    HA   LYS  45           HA       LYS  45  10.478  -9.082  -6.111
  348   1HB   LYS  45          1HB       LYS  45  12.011  -9.705  -4.241
  349   2HB   LYS  45          2HB       LYS  45  10.629  -9.799  -3.160
  350   1HG   LYS  45          1HG       LYS  45   9.655 -11.542  -4.848
  351   2HG   LYS  45          2HG       LYS  45  11.261 -11.549  -5.573
  352   1HD   LYS  45          1HD       LYS  45  10.978 -13.424  -4.061
  353   2HD   LYS  45          2HD       LYS  45  12.204 -12.326  -3.399
  354   1HE   LYS  45          1HE       LYS  45  10.486 -11.340  -1.895
  355   2HE   LYS  45          2HE       LYS  45   9.256 -12.423  -2.558
  356   1HZ   LYS  45          2HZ       LYS  45  11.711 -13.440  -1.292
  357   2HZ   LYS  45          3HZ       LYS  45  10.407 -12.977  -0.413
  358   3HZ   LYS  45          1HZ       LYS  45  10.281 -14.233  -1.486
  359    H    ARG  46           H        ARG  46   8.630  -8.521  -3.057
  360    HA   ARG  46           HA       ARG  46   6.485 -10.184  -3.830
  361   1HB   ARG  46          1HB       ARG  46   6.595  -7.978  -1.772
  362   2HB   ARG  46          2HB       ARG  46   5.175  -8.997  -2.045
  363   1HG   ARG  46          1HG       ARG  46   6.535 -11.042  -1.605
  364   2HG   ARG  46          2HG       ARG  46   7.930 -10.034  -1.258
  365   1HD   ARG  46          1HD       ARG  46   7.067 -10.541   0.857
  366   2HD   ARG  46          2HD       ARG  46   6.481  -8.896   0.552
  367    HE   ARG  46           HE       ARG  46   4.657 -11.009  -0.310
  368   1HH1  ARG  46          2HH2      ARG  46   5.609  -9.266   2.675
  369   2HH1  ARG  46          1HH2      ARG  46   4.125  -9.655   3.476
  370   1HH2  ARG  46          2HH1      ARG  46   2.821 -11.485   0.744
  371   2HH2  ARG  46          1HH1      ARG  46   2.449 -10.885   2.330
  372    H    SER  47           H        SER  47   7.168  -6.919  -4.849
  373    HA   SER  47           HA       SER  47   4.379  -6.480  -5.721
  374   1HB   SER  47          1HB       SER  47   6.805  -4.629  -5.707
  375   2HB   SER  47          2HB       SER  47   5.131  -4.160  -6.027
  376    HG   SER  47           HG       SER  47   6.330  -5.100  -3.670
  377    H    GLY  48           H        GLY  48   7.534  -7.251  -7.132
  378   1HA   GLY  48          1HA       GLY  48   8.211  -7.426  -9.317
  379   2HA   GLY  48          2HA       GLY  48   6.516  -7.351  -9.832
  380    H    ARG  49           H        ARG  49   7.941  -4.824  -7.785
  381    HA   ARG  49           HA       ARG  49   8.156  -2.879  -9.974
  382   1HB   ARG  49          1HB       ARG  49   6.074  -2.773  -7.740
  383   2HB   ARG  49          2HB       ARG  49   6.760  -1.296  -8.427
  384   1HG   ARG  49          1HG       ARG  49   5.996  -1.823 -10.617
  385   2HG   ARG  49          2HG       ARG  49   5.341  -3.404 -10.103
  386   1HD   ARG  49          1HD       ARG  49   3.740  -2.282  -8.619
  387   2HD   ARG  49          2HD       ARG  49   4.448  -0.711  -9.001
  388    HE   ARG  49           HE       ARG  49   2.806  -2.435 -10.791
  389   1HH1  ARG  49          2HH2      ARG  49   4.237   0.794 -10.212
  390   2HH1  ARG  49          1HH2      ARG  49   3.771   1.409 -11.763
  391   1HH2  ARG  49          2HH1      ARG  49   1.688  -1.371 -12.495
  392   2HH2  ARG  49          1HH1      ARG  49   2.168   0.221 -12.992
  393    H    THR  50           H        THR  50   9.573  -1.246  -9.368
  394    HA   THR  50           HA       THR  50  11.250  -1.946  -7.098
  395    HB   THR  50           HB       THR  50  11.416  -0.273  -9.557
  396    HG1  THR  50           HG1      THR  50  13.345  -1.632  -9.655
  397   1HG2  THR  50          2HG2      THR  50  13.458  -0.155  -7.293
  398   2HG2  THR  50          3HG2      THR  50  13.690   0.475  -8.943
  399   3HG2  THR  50          1HG2      THR  50  12.475   1.201  -7.896
  400    H    THR  51           H        THR  51   8.849   0.638  -7.853
  401    HA   THR  51           HA       THR  51  10.006   2.339  -5.788
  402    HB   THR  51           HB       THR  51   8.284   3.942  -6.763
  403    HG1  THR  51           HG1      THR  51   6.805   2.580  -7.631
  404   1HG2  THR  51          3HG2      THR  51  10.274   2.615  -8.665
  405   2HG2  THR  51          1HG2      THR  51   9.596   4.228  -8.872
  406   3HG2  THR  51          2HG2      THR  51  10.648   3.891  -7.494
  407    H    VAL  52           H        VAL  52   8.677   3.492  -4.292
  408    HA   VAL  52           HA       VAL  52   6.429   1.933  -3.113
  409    HB   VAL  52           HB       VAL  52   6.781   3.985  -1.371
  410   1HG1  VAL  52          3HG1      VAL  52   6.742   1.597  -0.826
  411   2HG1  VAL  52          1HG1      VAL  52   8.478   1.513  -1.215
  412   3HG1  VAL  52          2HG1      VAL  52   7.891   2.557   0.113
  413   1HG2  VAL  52          1HG2      VAL  52   8.677   4.903  -2.651
  414   2HG2  VAL  52          2HG2      VAL  52   9.043   4.542  -0.957
  415   3HG2  VAL  52          3HG2      VAL  52   9.634   3.467  -2.243
  416    HA   PRO  53           HA       PRO  53   4.831   2.780  -1.423
  417   1HB   PRO  53          1HB       PRO  53   2.120   2.923  -1.416
  418   2HB   PRO  53          2HB       PRO  53   3.142   4.270  -0.829
  419   1HG   PRO  53          1HG       PRO  53   1.880   3.970  -3.565
  420   2HG   PRO  53          2HG       PRO  53   1.843   5.390  -2.461
  421   1HD   PRO  53          1HD       PRO  53   3.669   5.141  -4.516
  422   2HD   PRO  53          2HD       PRO  53   4.080   5.953  -2.975
  423    H    GLN  54           H        GLN  54   3.671   0.722  -1.215
  424    HA   GLN  54           HA       GLN  54   2.563  -0.502  -3.643
  425   1HB   GLN  54          1HB       GLN  54   4.754  -1.746  -1.893
  426   2HB   GLN  54          2HB       GLN  54   3.769  -2.652  -3.035
  427   1HG   GLN  54          1HG       GLN  54   5.680  -0.388  -3.723
  428   2HG   GLN  54          2HG       GLN  54   5.986  -2.095  -3.991
  429   1HE2  GLN  54          2HE2      GLN  54   4.437  -0.181  -7.021
  430   2HE2  GLN  54          1HE2      GLN  54   5.795   0.162  -5.951
  431    H    ILE  55           H        ILE  55   0.731  -1.873  -2.968
  432    HA   ILE  55           HA       ILE  55   0.345  -2.042  -0.069
  433    HB   ILE  55           HB       ILE  55  -1.742  -1.254  -2.147
  434   1HG1  ILE  55          1HG1      ILE  55  -1.879   0.686  -0.226
  435   2HG1  ILE  55          2HG1      ILE  55  -0.179   0.286  -0.122
  436   1HG2  ILE  55          2HG2      ILE  55  -2.056  -1.725   0.856
  437   2HG2  ILE  55          3HG2      ILE  55  -3.313  -1.113  -0.226
  438   3HG2  ILE  55          1HG2      ILE  55  -2.734  -2.744  -0.430
  439   1HD1  ILE  55          1HD1      ILE  55   0.045   0.809  -2.582
  440   2HD1  ILE  55          2HD1      ILE  55  -1.687   1.210  -2.597
  441   3HD1  ILE  55          3HD1      ILE  55  -0.561   2.175  -1.631
  442    H    PHE  56           H        PHE  56  -0.740  -3.885   0.528
  443    HA   PHE  56           HA       PHE  56  -1.393  -5.961  -1.466
  444   1HB   PHE  56          1HB       PHE  56   0.092  -6.374   1.179
  445   2HB   PHE  56          2HB       PHE  56  -0.495  -7.645   0.115
  446    HD1  PHE  56           HD1      PHE  56   2.024  -4.903   0.449
  447    HD2  PHE  56           HD2      PHE  56   0.745  -8.332  -1.844
  448    HE1  PHE  56           HE1      PHE  56   4.130  -4.823  -0.878
  449    HE2  PHE  56           HE2      PHE  56   2.841  -8.263  -3.118
  450    HZ   PHE  56           HZ       PHE  56   4.527  -6.497  -2.676
  451    H    ILE  57           H        ILE  57  -3.335  -7.049  -0.784
  452    HA   ILE  57           HA       ILE  57  -4.277  -6.542   1.922
  453    HB   ILE  57           HB       ILE  57  -6.232  -6.193  -0.358
  454   1HG1  ILE  57          1HG1      ILE  57  -5.101  -4.041   1.476
  455   2HG1  ILE  57          2HG1      ILE  57  -4.677  -4.223  -0.213
  456   1HG2  ILE  57          1HG2      ILE  57  -6.387  -5.972   2.695
  457   2HG2  ILE  57          2HG2      ILE  57  -7.706  -5.494   1.626
  458   3HG2  ILE  57          3HG2      ILE  57  -7.197  -7.174   1.676
  459   1HD1  ILE  57          1HD1      ILE  57  -7.046  -3.832  -0.868
  460   2HD1  ILE  57          2HD1      ILE  57  -7.418  -3.471   0.838
  461   3HD1  ILE  57          3HD1      ILE  57  -6.264  -2.468  -0.043
  462    H    ASP  58           H        ASP  58  -4.963  -8.451   2.730
  463    HA   ASP  58           HA       ASP  58  -5.002 -10.729   2.936
  464   1HB   ASP  58          1HB       ASP  58  -6.699 -10.347   0.502
  465   2HB   ASP  58          2HB       ASP  58  -6.411 -11.935   1.219
  466    H    ALA  59           H        ALA  59  -2.850  -9.570   1.930
  467    HA   ALA  59           HA       ALA  59  -0.813  -9.731   1.043
  468   1HB   ALA  59          2HB       ALA  59  -0.761 -11.791   2.336
  469   2HB   ALA  59          3HB       ALA  59  -1.323 -12.702   0.925
  470   3HB   ALA  59          1HB       ALA  59   0.249 -11.894   0.871
  471    H    GLN  60           H        GLN  60  -3.429 -10.322  -0.927
  472    HA   GLN  60           HA       GLN  60  -2.039 -10.873  -3.428
  473   1HB   GLN  60          1HB       GLN  60  -4.840  -9.959  -2.646
  474   2HB   GLN  60          2HB       GLN  60  -4.345 -10.163  -4.324
  475   1HG   GLN  60          1HG       GLN  60  -4.268 -12.465  -4.175
  476   2HG   GLN  60          2HG       GLN  60  -3.827 -12.487  -2.472
  477   1HE2  GLN  60          2HE2      GLN  60  -7.200 -12.532  -1.312
  478   2HE2  GLN  60          1HE2      GLN  60  -5.520 -12.246  -0.856
  479    H    HIS  61           H        HIS  61  -1.081  -9.341  -4.695
  480    HA   HIS  61           HA       HIS  61  -0.505  -6.784  -3.494
  481   1HB   HIS  61          1HB       HIS  61   1.084  -8.182  -4.826
  482   2HB   HIS  61          2HB       HIS  61   0.109  -7.893  -6.264
  483    HD1  HIS  61           HD1      HIS  61   1.457  -6.347  -7.749
  484    HD2  HIS  61           HD2      HIS  61   1.638  -5.375  -3.620
  485    HE1  HIS  61           HE1      HIS  61   2.954  -4.278  -7.532
  486    HE2  HIS  61           HE2      HIS  61   3.010  -3.627  -5.089
  487    H    ILE  62           H        ILE  62  -0.914  -4.678  -4.378
  488    HA   ILE  62           HA       ILE  62  -3.405  -4.449  -5.966
  489    HB   ILE  62           HB       ILE  62  -1.853  -2.280  -4.501
  490   1HG1  ILE  62          1HG1      ILE  62  -2.579  -3.699  -2.782
  491   2HG1  ILE  62          2HG1      ILE  62  -3.667  -2.337  -2.817
  492   1HG2  ILE  62          3HG2      ILE  62  -4.651  -2.289  -5.703
  493   2HG2  ILE  62          1HG2      ILE  62  -3.939  -0.996  -4.725
  494   3HG2  ILE  62          2HG2      ILE  62  -3.252  -1.387  -6.296
  495   1HD1  ILE  62          3HD1      ILE  62  -5.397  -3.703  -3.965
  496   2HD1  ILE  62          1HD1      ILE  62  -4.298  -5.103  -3.907
  497   3HD1  ILE  62          2HD1      ILE  62  -4.916  -4.398  -2.416
  498    H    GLY  63           H        GLY  63  -0.347  -2.542  -5.880
  499   1HA   GLY  63          1HA       GLY  63   0.765  -2.735  -8.336
  500   2HA   GLY  63          2HA       GLY  63  -0.713  -1.816  -8.678
  501    H    GLY  64           H        GLY  64  -1.059  -0.135  -6.506
  502   1HA   GLY  64          1HA       GLY  64   1.177   1.289  -5.535
  503   2HA   GLY  64          2HA       GLY  64   0.694   1.887  -7.130
  504    H    TYR  65           H        TYR  65   0.103   3.863  -6.001
  505    HA   TYR  65           HA       TYR  65  -1.943   3.850  -3.894
  506   1HB   TYR  65          1HB       TYR  65  -0.157   5.462  -3.675
  507   2HB   TYR  65          2HB       TYR  65  -0.329   5.929  -5.370
  508    HD1  TYR  65           HD2      TYR  65  -3.161   5.660  -2.907
  509    HD2  TYR  65           HD1      TYR  65  -0.614   8.208  -5.309
  510    HE1  TYR  65           HE2      TYR  65  -4.666   7.559  -2.511
  511    HE2  TYR  65           HE1      TYR  65  -2.128  10.084  -4.894
  512    HH   TYR  65           HH       TYR  65  -5.223   9.697  -3.218
  513    H    ASP  66           H        ASP  66  -1.726   5.356  -7.216
  514    HA   ASP  66           HA       ASP  66  -4.512   5.998  -7.215
  515   1HB   ASP  66          1HB       ASP  66  -2.347   6.085  -9.175
  516   2HB   ASP  66          2HB       ASP  66  -3.888   5.647  -9.899
  517    H    ASP  67           H        ASP  67  -2.695   3.146  -8.016
  518    HA   ASP  67           HA       ASP  67  -4.792   1.599  -9.215
  519   1HB   ASP  67          1HB       ASP  67  -2.511   0.575  -7.493
  520   2HB   ASP  67          2HB       ASP  67  -3.501  -0.379  -8.587
  521    H    LEU  68           H        LEU  68  -3.775   1.869  -5.717
  522    HA   LEU  68           HA       LEU  68  -5.913   0.239  -4.781
  523   1HB   LEU  68          1HB       LEU  68  -3.953   0.763  -3.330
  524   2HB   LEU  68          2HB       LEU  68  -4.460   2.451  -3.269
  525    HG   LEU  68           HG       LEU  68  -6.634   1.753  -2.197
  526   1HD1  LEU  68          1HD1      LEU  68  -5.372  -1.025  -2.180
  527   2HD1  LEU  68          2HD1      LEU  68  -6.792  -0.539  -1.242
  528   3HD1  LEU  68          3HD1      LEU  68  -6.882  -0.551  -2.995
  529   1HD2  LEU  68          3HD2      LEU  68  -4.780   2.461  -0.814
  530   2HD2  LEU  68          1HD2      LEU  68  -5.805   1.243  -0.038
  531   3HD2  LEU  68          2HD2      LEU  68  -4.217   0.785  -0.701
  532    H    TYR  69           H        TYR  69  -5.628   3.758  -5.093
  533    HA   TYR  69           HA       TYR  69  -8.109   4.622  -4.063
  534   1HB   TYR  69          1HB       TYR  69  -6.397   6.177  -4.767
  535   2HB   TYR  69          2HB       TYR  69  -6.312   5.483  -6.344
  536    HD1  TYR  69           HD2      TYR  69  -9.017   7.153  -4.289
  537    HD2  TYR  69           HD1      TYR  69  -7.020   6.744  -8.099
  538    HE1  TYR  69           HE2      TYR  69 -10.532   8.848  -5.274
  539    HE2  TYR  69           HE1      TYR  69  -8.486   8.471  -9.062
  540    HH   TYR  69           HH       TYR  69 -10.021  10.126  -8.561
  541    H    ALA  70           H        ALA  70  -7.350   3.600  -7.376
  542    HA   ALA  70           HA       ALA  70 -10.041   3.757  -8.409
  543   1HB   ALA  70          3HB       ALA  70  -7.632   2.118  -9.329
  544   2HB   ALA  70          1HB       ALA  70  -9.115   2.370 -10.263
  545   3HB   ALA  70          2HB       ALA  70  -8.062   3.749  -9.871
  546    H    LEU  71           H        LEU  71  -8.080   1.143  -7.077
  547    HA   LEU  71           HA       LEU  71  -9.969  -1.034  -7.270
  548   1HB   LEU  71          1HB       LEU  71  -7.503  -1.165  -6.985
  549   2HB   LEU  71          2HB       LEU  71  -7.765  -0.847  -5.269
  550    HG   LEU  71           HG       LEU  71  -9.497  -2.958  -6.585
  551   1HD1  LEU  71          3HD1      LEU  71  -6.575  -3.451  -5.938
  552   2HD1  LEU  71          1HD1      LEU  71  -7.805  -4.690  -6.243
  553   3HD1  LEU  71          2HD1      LEU  71  -7.345  -3.553  -7.536
  554   1HD2  LEU  71          2HD2      LEU  71  -9.527  -2.207  -4.163
  555   2HD2  LEU  71          3HD2      LEU  71  -9.392  -3.951  -4.477
  556   3HD2  LEU  71          1HD2      LEU  71  -7.958  -2.977  -3.988
  557    H    ASP  72           H        ASP  72  -9.555   1.456  -4.761
  558    HA   ASP  72           HA       ASP  72 -11.649   0.450  -3.053
  559   1HB   ASP  72          1HB       ASP  72  -9.970   2.053  -2.199
  560   2HB   ASP  72          2HB       ASP  72 -10.439   3.219  -3.394
  561    H    ALA  73           H        ALA  73 -11.491   3.087  -5.446
  562    HA   ALA  73           HA       ALA  73 -14.159   3.863  -5.259
  563   1HB   ALA  73          1HB       ALA  73 -12.417   5.255  -6.301
  564   2HB   ALA  73          2HB       ALA  73 -12.297   4.111  -7.657
  565   3HB   ALA  73          3HB       ALA  73 -13.780   5.043  -7.406
  566    H    ARG  74           H        ARG  74 -12.869   1.222  -7.121
  567    HA   ARG  74           HA       ARG  74 -15.311   0.757  -8.613
  568   1HB   ARG  74          1HB       ARG  74 -14.235  -0.994  -9.577
  569   2HB   ARG  74          2HB       ARG  74 -12.929   0.111  -9.231
  570   1HG   ARG  74          1HG       ARG  74 -11.811  -1.579  -8.327
  571   2HG   ARG  74          2HG       ARG  74 -12.959  -1.562  -6.993
  572   1HD   ARG  74          1HD       ARG  74 -14.352  -3.223  -8.087
  573   2HD   ARG  74          2HD       ARG  74 -13.358  -3.153  -9.553
  574    HE   ARG  74           HE       ARG  74 -11.778  -3.794  -7.249
  575   1HH1  ARG  74          2HH2      ARG  74 -13.956  -5.339  -9.660
  576   2HH1  ARG  74          1HH2      ARG  74 -13.046  -6.804  -9.650
  577   1HH2  ARG  74          2HH1      ARG  74 -11.072  -5.962  -6.827
  578   2HH2  ARG  74          1HH1      ARG  74 -11.578  -7.214  -7.856
  579    H    GLY  75           H        GLY  75 -14.587   0.290  -5.402
  580   1HA   GLY  75          1HA       GLY  75 -15.665  -0.867  -3.689
  581   2HA   GLY  75          2HA       GLY  75 -16.811  -1.519  -4.878
  582    H    GLY  76           H        GLY  76 -13.171  -1.713  -4.773
  583   1HA   GLY  76          1HA       GLY  76 -13.352  -4.687  -4.744
  584   2HA   GLY  76          2HA       GLY  76 -12.069  -3.699  -5.459
  585    H    LEU  77           H        LEU  77 -11.772  -1.809  -3.271
  586    HA   LEU  77           HA       LEU  77 -10.034  -3.343  -1.523
  587   1HB   LEU  77          1HB       LEU  77  -9.714  -0.909  -2.078
  588   2HB   LEU  77          2HB       LEU  77 -11.161  -0.517  -1.172
  589    HG   LEU  77           HG       LEU  77  -8.508  -1.461  -0.090
  590   1HD1  LEU  77          3HD1      LEU  77  -8.733   0.894  -0.719
  591   2HD1  LEU  77          1HD1      LEU  77 -10.195   1.048   0.274
  592   3HD1  LEU  77          2HD1      LEU  77  -8.624   0.749   1.039
  593   1HD2  LEU  77          1HD2      LEU  77 -11.081  -1.175   1.505
  594   2HD2  LEU  77          2HD2      LEU  77  -9.910  -2.517   1.501
  595   3HD2  LEU  77          3HD2      LEU  77  -9.468  -0.996   2.226
  596    H    ASP  78           H        ASP  78 -13.223  -1.788  -1.264
  597    HA   ASP  78           HA       ASP  78 -13.644  -2.229   1.413
  598   1HB   ASP  78          1HB       ASP  78 -14.908  -0.777  -0.202
  599   2HB   ASP  78          2HB       ASP  78 -15.847  -2.175  -0.690
  600    HA   PRO  79           HA       PRO  79 -15.620  -6.580   0.646
  601   1HB   PRO  79          1HB       PRO  79 -15.109  -7.897  -1.706
  602   2HB   PRO  79          2HB       PRO  79 -16.571  -6.918  -1.385
  603   1HG   PRO  79          1HG       PRO  79 -14.042  -6.102  -2.819
  604   2HG   PRO  79          2HG       PRO  79 -15.745  -5.864  -3.331
  605   1HD   PRO  79          1HD       PRO  79 -14.375  -3.869  -2.118
  606   2HD   PRO  79          2HD       PRO  79 -16.087  -4.163  -1.716
  607    H    LEU  80           H        LEU  80 -12.402  -5.724  -0.677
  608    HA   LEU  80           HA       LEU  80 -11.159  -8.240   0.077
  609   1HB   LEU  80          1HB       LEU  80 -10.251  -5.567  -0.881
  610   2HB   LEU  80          2HB       LEU  80  -9.136  -6.373   0.182
  611    HG   LEU  80           HG       LEU  80 -10.286  -7.769  -2.248
  612   1HD1  LEU  80          2HD1      LEU  80  -9.125  -5.694  -2.949
  613   2HD1  LEU  80          3HD1      LEU  80  -7.693  -6.172  -2.039
  614   3HD1  LEU  80          1HD1      LEU  80  -8.222  -7.136  -3.433
  615   1HD2  LEU  80          2HD2      LEU  80  -7.812  -8.254  -0.506
  616   2HD2  LEU  80          3HD2      LEU  80  -9.256  -9.279  -0.591
  617   3HD2  LEU  80          1HD2      LEU  80  -8.189  -9.138  -1.994
  618    H    LEU  81           H        LEU  81 -12.230  -5.402   1.810
  619    HA   LEU  81           HA       LEU  81 -10.657  -5.982   4.188
  620   1HB   LEU  81          1HB       LEU  81 -11.622  -3.665   3.173
  621   2HB   LEU  81          2HB       LEU  81 -12.987  -4.072   4.183
  622    HG   LEU  81           HG       LEU  81 -11.463  -2.561   5.284
  623   1HD1  LEU  81          2HD1      LEU  81 -12.583  -4.205   6.760
  624   2HD1  LEU  81          3HD1      LEU  81 -11.153  -5.232   6.694
  625   3HD1  LEU  81          1HD1      LEU  81 -11.053  -3.608   7.411
  626   1HD2  LEU  81          1HD2      LEU  81  -9.396  -3.169   4.104
  627   2HD2  LEU  81          2HD2      LEU  81  -9.145  -3.148   5.861
  628   3HD2  LEU  81          3HD2      LEU  81  -9.279  -4.679   5.017
  629    H    LYS  82           H        LYS  82 -12.113  -8.114   3.242
  630    HA   LYS  82           HA       LYS  82 -14.477  -8.725   4.772
  631   1HB   LYS  82          1HB       LYS  82 -13.319  -9.990   2.700
  632   2HB   LYS  82          2HB       LYS  82 -12.320 -10.714   3.941
  633   1HG   LYS  82          1HG       LYS  82 -13.920 -12.281   3.961
  634   2HG   LYS  82          2HG       LYS  82 -14.753 -11.185   5.057
  635   1HD   LYS  82          1HD       LYS  82 -15.194 -11.353   2.025
  636   2HD   LYS  82          2HD       LYS  82 -16.206 -12.097   3.246
  637   1HE   LYS  82          1HE       LYS  82 -17.436 -10.216   3.025
  638   2HE   LYS  82          2HE       LYS  82 -16.299  -9.624   4.238
  639   1HZ   LYS  82          1HZ       LYS  82 -14.964  -8.764   2.305
  640   2HZ   LYS  82          2HZ       LYS  82 -16.183  -9.191   1.316
  641   3HZ   LYS  82          3HZ       LYS  82 -16.409  -8.036   2.493
  642   1HB2  GTT  83          1HB2      GTT  83   8.158   7.109  -3.067
  643   2HB2  GTT  83          2HB2      GTT  83   9.819   6.762  -2.631
  644    HA2  GTT  83           HA2      GTT  83  10.113   7.826  -5.173
  645    HN2  GTT  83           HN2      GTT  83   7.520   6.371  -5.061
  646   1HG1  GTT  83          1HG1      GTT  83   6.357   7.622  -7.590
  647   2HG1  GTT  83          2HG1      GTT  83   6.333   5.986  -6.939
  648   1HB1  GTT  83          1HB1      GTT  83   7.678   5.215  -8.873
  649   2HB1  GTT  83          2HB1      GTT  83   7.666   6.832  -9.566
  650    HA1  GTT  83           HA1      GTT  83   5.149   5.231  -8.939
  651   1HN1  GTT  83          1HN1      GTT  83   6.660   4.185 -10.614
  652   2HN1  GTT  83          2HN1      GTT  83   5.096   4.531 -11.098
  653   3HN1  GTT  83          3HN1      GTT  83   6.355   5.486 -11.564
  654    HN3  GTT  83           HN3      GTT  83  12.082   6.859  -4.213
  655   1HA3  GTT  83          1HA3      GTT  83  12.159   4.195  -3.278
  656   2HA3  GTT  83          2HA3      GTT  83  12.741   4.242  -4.961
   
  No H/Q in entry =         656
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1  -7.396 -11.248   5.658
    2   2H    ALA   1          2H        ALA   1  -8.146 -11.266   7.133
    3   3H    ALA   1          3H        ALA   1  -8.979 -10.826   5.770
    4    HA   ALA   1           HA       ALA   1  -7.715  -8.909   5.449
    5   1HB   ALA   1          1HB       ALA   1  -8.700  -9.120   8.311
    6   2HB   ALA   1          2HB       ALA   1  -8.319  -7.606   7.445
    7   3HB   ALA   1          3HB       ALA   1  -9.619  -8.657   6.857
    8    H    ASN   2           H        ASN   2  -5.591  -8.519   5.236
    9    HA   ASN   2           HA       ASN   2  -4.048  -7.958   7.644
   10   1HB   ASN   2          1HB       ASN   2  -3.565 -10.330   7.079
   11   2HB   ASN   2          2HB       ASN   2  -2.935  -9.820   5.523
   12   1HD2  ASN   2          2HD2      ASN   2   0.076  -8.355   6.941
   13   2HD2  ASN   2          1HD2      ASN   2  -0.982  -8.296   5.559
   14    H    VAL   3           H        VAL   3  -4.451  -5.791   6.851
   15    HA   VAL   3           HA       VAL   3  -3.737  -5.151   4.080
   16    HB   VAL   3           HB       VAL   3  -4.887  -3.421   6.303
   17   1HG1  VAL   3          3HG1      VAL   3  -4.728  -2.969   3.283
   18   2HG1  VAL   3          1HG1      VAL   3  -5.549  -1.909   4.449
   19   3HG1  VAL   3          2HG1      VAL   3  -3.790  -2.099   4.504
   20   1HG2  VAL   3          3HG2      VAL   3  -6.451  -5.256   5.729
   21   2HG2  VAL   3          1HG2      VAL   3  -7.027  -3.682   5.212
   22   3HG2  VAL   3          2HG2      VAL   3  -6.344  -4.801   4.014
   23    H    GLU   4           H        GLU   4  -1.691  -4.449   3.592
   24    HA   GLU   4           HA       GLU   4  -0.165  -3.011   5.689
   25   1HB   GLU   4          1HB       GLU   4   1.596  -4.487   3.879
   26   2HB   GLU   4          2HB       GLU   4   1.613  -4.279   5.628
   27   1HG   GLU   4          1HG       GLU   4  -0.165  -6.086   5.764
   28   2HG   GLU   4          2HG       GLU   4   0.108  -6.387   4.047
   29    H    ILE   5           H        ILE   5   1.252  -1.358   4.808
   30    HA   ILE   5           HA       ILE   5   0.972  -0.808   1.935
   31    HB   ILE   5           HB       ILE   5  -0.865   0.421   2.731
   32   1HG1  ILE   5          1HG1      ILE   5   1.430   2.413   2.435
   33   2HG1  ILE   5          2HG1      ILE   5   0.782   1.462   1.104
   34   1HG2  ILE   5          2HG2      ILE   5  -0.256   0.531   5.179
   35   2HG2  ILE   5          3HG2      ILE   5   0.824   1.879   4.791
   36   3HG2  ILE   5          1HG2      ILE   5  -0.934   2.011   4.513
   37   1HD1  ILE   5          2HD1      ILE   5  -1.456   2.504   1.452
   38   2HD1  ILE   5          3HD1      ILE   5  -0.767   3.515   2.734
   39   3HD1  ILE   5          1HD1      ILE   5  -0.179   3.671   1.070
   40    H    TYR   6           H        TYR   6   2.974  -0.757   1.257
   41    HA   TYR   6           HA       TYR   6   5.168  -0.155   3.089
   42   1HB   TYR   6          1HB       TYR   6   5.017  -0.762   0.120
   43   2HB   TYR   6          2HB       TYR   6   6.503  -0.225   0.890
   44    HD1  TYR   6           HD2      TYR   6   4.037  -2.979   0.765
   45    HD2  TYR   6           HD1      TYR   6   7.696  -1.588   2.495
   46    HE1  TYR   6           HE2      TYR   6   4.616  -5.304   1.375
   47    HE2  TYR   6           HE1      TYR   6   8.328  -3.868   3.132
   48    HH   TYR   6           HH       TYR   6   7.714  -6.175   2.957
   49    H    THR   7           H        THR   7   6.386   1.689   3.163
   50    HA   THR   7           HA       THR   7   5.606   4.070   1.594
   51    HB   THR   7           HB       THR   7   5.580   5.256   3.842
   52    HG1  THR   7           HG1      THR   7   5.676   4.109   5.631
   53   1HG2  THR   7          2HG2      THR   7   3.424   4.563   2.657
   54   2HG2  THR   7          3HG2      THR   7   3.399   3.136   3.702
   55   3HG2  THR   7          1HG2      THR   7   3.309   4.767   4.411
   56    H    LYS   8           H        LYS   8   7.274   5.818   2.027
   57    HA   LYS   8           HA       LYS   8   9.667   4.982   3.415
   58   1HB   LYS   8          1HB       LYS   8  10.829   4.352   1.684
   59   2HB   LYS   8          2HB       LYS   8   9.565   4.777   0.530
   60   1HG   LYS   8          1HG       LYS   8  10.392   7.022   0.337
   61   2HG   LYS   8          2HG       LYS   8  11.599   6.710   1.620
   62   1HD   LYS   8          1HD       LYS   8  12.816   5.180   0.263
   63   2HD   LYS   8          2HD       LYS   8  11.551   5.195  -0.973
   64   1HE   LYS   8          1HE       LYS   8  13.478   6.608  -1.614
   65   2HE   LYS   8          2HE       LYS   8  11.975   7.532  -1.495
   66   1HZ   LYS   8          1HZ       LYS   8  12.709   8.342   0.666
   67   2HZ   LYS   8          2HZ       LYS   8  14.130   7.488   0.526
   68   3HZ   LYS   8          3HZ       LYS   8  13.804   8.682  -0.529
   69    H    GLU   9           H        GLU   9  10.664   6.864   4.154
   70    HA   GLU   9           HA       GLU   9   9.375   9.364   4.311
   71   1HB   GLU   9          1HB       GLU   9  11.064   8.454   5.863
   72   2HB   GLU   9          2HB       GLU   9  12.305   8.575   4.608
   73   1HG   GLU   9          1HG       GLU   9  12.180  11.014   4.658
   74   2HG   GLU   9          2HG       GLU   9  10.784  10.953   5.753
   75    H    THR  10           H        THR  10  10.187  11.458   3.476
   76    HA   THR  10           HA       THR  10  10.093  12.784   1.722
   77    HB   THR  10           HB       THR  10  12.477  12.600   2.265
   78    HG1  THR  10           HG1      THR  10  12.101  14.218   1.096
   79   1HG2  THR  10          3HG2      THR  10  12.731  10.808  -0.171
   80   2HG2  THR  10          1HG2      THR  10  14.044  11.767   0.515
   81   3HG2  THR  10          2HG2      THR  10  13.288  10.516   1.498
   82    H    CYS  11           H        CYS  11   8.162  11.101   1.395
   83    HA   CYS  11           HA       CYS  11   8.032  11.097  -1.510
   84   1HB   CYS  11          1HB       CYS  11   8.756   8.750  -0.634
   85   2HB   CYS  11          2HB       CYS  11   7.081   8.588  -0.126
   86    HA   PRO  12           HA       PRO  12   4.244  12.805   0.266
   87   1HB   PRO  12          1HB       PRO  12   3.117  13.818  -1.976
   88   2HB   PRO  12          2HB       PRO  12   4.414  14.659  -1.058
   89   1HG   PRO  12          1HG       PRO  12   4.698  12.996  -3.575
   90   2HG   PRO  12          2HG       PRO  12   5.498  14.544  -3.174
   91   1HD   PRO  12          1HD       PRO  12   6.711  12.107  -2.900
   92   2HD   PRO  12          2HD       PRO  12   7.048  13.467  -1.784
   93    H    TYR  13           H        TYR  13   4.115  11.091  -2.918
   94    HA   TYR  13           HA       TYR  13   1.576  10.171  -3.056
   95   1HB   TYR  13          1HB       TYR  13   3.703   9.946  -4.541
   96   2HB   TYR  13          2HB       TYR  13   4.077   8.504  -3.640
   97    HD1  TYR  13           HD2      TYR  13   1.096   9.991  -5.424
   98    HD2  TYR  13           HD1      TYR  13   3.691   6.608  -4.928
   99    HE1  TYR  13           HE2      TYR  13  -0.240   8.731  -7.094
  100    HE2  TYR  13           HE1      TYR  13   2.360   5.320  -6.577
  101    HH   TYR  13           HH       TYR  13  -0.464   6.725  -8.286
  102    H    SER  14           H        SER  14   4.151   8.711  -1.127
  103    HA   SER  14           HA       SER  14   2.791   6.447  -0.036
  104   1HB   SER  14          1HB       SER  14   5.142   6.646   0.005
  105   2HB   SER  14          2HB       SER  14   5.109   8.233   0.749
  106    HG   SER  14           HG       SER  14   5.298   7.329   2.548
  107    H    HIS  15           H        HIS  15   2.908   9.878   1.070
  108    HA   HIS  15           HA       HIS  15   1.265   9.117   3.437
  109   1HB   HIS  15          1HB       HIS  15   2.695  11.673   2.636
  110   2HB   HIS  15          2HB       HIS  15   1.534  11.589   3.967
  111    HD1  HIS  15           HD1      HIS  15   2.252  10.328   6.185
  112    HD2  HIS  15           HD2      HIS  15   5.013  10.080   2.970
  113    HE1  HIS  15           HE1      HIS  15   4.312   9.067   7.063
  114    HE2  HIS  15           HE2      HIS  15   5.970   8.884   5.147
  115    H    ARG  16           H        ARG  16   0.881  10.690   0.306
  116    HA   ARG  16           HA       ARG  16  -1.818  11.644   0.573
  117   1HB   ARG  16          1HB       ARG  16  -0.168  10.494  -1.708
  118   2HB   ARG  16          2HB       ARG  16  -1.816  11.042  -1.920
  119   1HG   ARG  16          1HG       ARG  16  -1.113  13.321  -1.100
  120   2HG   ARG  16          2HG       ARG  16   0.569  12.760  -1.133
  121   1HD   ARG  16          1HD       ARG  16   0.333  12.163  -3.523
  122   2HD   ARG  16          2HD       ARG  16  -1.365  12.659  -3.492
  123    HE   ARG  16           HE       ARG  16   0.267  14.830  -2.629
  124   1HH1  ARG  16          2HH2      ARG  16  -0.490  13.056  -5.600
  125   2HH1  ARG  16          1HH2      ARG  16  -0.406  14.435  -6.632
  126   1HH2  ARG  16          2HH1      ARG  16   0.309  16.649  -3.905
  127   2HH2  ARG  16          1HH1      ARG  16  -0.177  16.593  -5.583
  128    H    ALA  17           H        ALA  17  -0.542   8.363  -0.305
  129    HA   ALA  17           HA       ALA  17  -3.051   7.245  -0.617
  130   1HB   ALA  17          3HB       ALA  17  -0.937   6.097  -1.170
  131   2HB   ALA  17          1HB       ALA  17  -0.569   5.933   0.562
  132   3HB   ALA  17          2HB       ALA  17  -1.958   5.068  -0.138
  133    H    LYS  18           H        LYS  18  -1.609   8.205   2.385
  134    HA   LYS  18           HA       LYS  18  -3.525   6.649   3.973
  135   1HB   LYS  18          1HB       LYS  18  -1.336   8.616   4.716
  136   2HB   LYS  18          2HB       LYS  18  -2.634   8.220   5.841
  137   1HG   LYS  18          1HG       LYS  18  -1.052   6.674   6.360
  138   2HG   LYS  18          2HG       LYS  18  -2.186   5.763   5.380
  139   1HD   LYS  18          1HD       LYS  18  -0.643   5.892   3.432
  140   2HD   LYS  18          2HD       LYS  18   0.493   6.860   4.367
  141   1HE   LYS  18          1HE       LYS  18  -0.464   4.029   4.991
  142   2HE   LYS  18          2HE       LYS  18   1.133   4.447   4.359
  143   1HZ   LYS  18          1HZ       LYS  18   0.167   5.373   7.029
  144   2HZ   LYS  18          2HZ       LYS  18   1.010   4.000   6.810
  145   3HZ   LYS  18          3HZ       LYS  18   1.695   5.415   6.490
  146    H    ALA  19           H        ALA  19  -3.537   9.939   2.558
  147    HA   ALA  19           HA       ALA  19  -5.774  10.791   4.199
  148   1HB   ALA  19          2HB       ALA  19  -4.996  11.547   1.336
  149   2HB   ALA  19          3HB       ALA  19  -6.289  12.313   2.277
  150   3HB   ALA  19          1HB       ALA  19  -4.620  12.459   2.821
  151    H    LEU  20           H        LEU  20  -5.434   8.770   1.323
  152    HA   LEU  20           HA       LEU  20  -8.331   8.543   0.956
  153   1HB   LEU  20          1HB       LEU  20  -6.654   8.013  -0.834
  154   2HB   LEU  20          2HB       LEU  20  -6.119   6.600   0.062
  155    HG   LEU  20           HG       LEU  20  -8.936   6.958  -1.049
  156   1HD1  LEU  20          1HD1      LEU  20  -7.162   6.851  -2.824
  157   2HD1  LEU  20          2HD1      LEU  20  -6.637   5.291  -2.165
  158   3HD1  LEU  20          3HD1      LEU  20  -8.265   5.465  -2.836
  159   1HD2  LEU  20          3HD2      LEU  20  -7.531   4.397  -0.148
  160   2HD2  LEU  20          1HD2      LEU  20  -8.896   5.176   0.681
  161   3HD2  LEU  20          2HD2      LEU  20  -9.108   4.488  -0.921
  162    H    LEU  21           H        LEU  21  -5.980   6.162   2.258
  163    HA   LEU  21           HA       LEU  21  -8.119   4.453   3.059
  164   1HB   LEU  21          1HB       LEU  21  -5.169   4.679   3.867
  165   2HB   LEU  21          2HB       LEU  21  -6.189   3.396   4.494
  166    HG   LEU  21           HG       LEU  21  -6.087   3.805   1.495
  167   1HD1  LEU  21          2HD1      LEU  21  -3.933   2.352   3.049
  168   2HD1  LEU  21          3HD1      LEU  21  -4.164   2.334   1.281
  169   3HD1  LEU  21          1HD1      LEU  21  -3.748   3.845   2.087
  170   1HD2  LEU  21          2HD2      LEU  21  -6.369   1.358   3.296
  171   2HD2  LEU  21          3HD2      LEU  21  -7.660   2.165   2.366
  172   3HD2  LEU  21          1HD2      LEU  21  -6.360   1.315   1.529
  173    H    SER  22           H        SER  22  -6.572   7.119   4.842
  174    HA   SER  22           HA       SER  22  -7.901   6.442   7.319
  175   1HB   SER  22          1HB       SER  22  -5.754   7.773   7.088
  176   2HB   SER  22          2HB       SER  22  -6.742   9.136   6.514
  177    HG   SER  22           HG       SER  22  -7.081   7.708   8.970
  178    H    SER  23           H        SER  23  -8.721   8.600   4.420
  179    HA   SER  23           HA       SER  23 -11.108   9.625   5.576
  180   1HB   SER  23          1HB       SER  23 -10.164  10.476   3.509
  181   2HB   SER  23          2HB       SER  23 -10.405   8.931   2.693
  182    HG   SER  23           HG       SER  23 -12.583  10.351   3.817
  183    H    LYS  24           H        LYS  24 -10.247   6.414   4.521
  184    HA   LYS  24           HA       LYS  24 -13.045   5.454   4.728
  185   1HB   LYS  24          1HB       LYS  24 -10.581   4.239   3.429
  186   2HB   LYS  24          2HB       LYS  24 -12.225   3.565   3.383
  187   1HG   LYS  24          1HG       LYS  24 -12.996   5.690   2.307
  188   2HG   LYS  24          2HG       LYS  24 -11.346   6.263   2.247
  189   1HD   LYS  24          1HD       LYS  24 -10.793   4.161   0.922
  190   2HD   LYS  24          2HD       LYS  24 -12.530   3.925   0.733
  191   1HE   LYS  24          1HE       LYS  24 -11.371   6.666   0.159
  192   2HE   LYS  24          2HE       LYS  24 -11.061   5.359  -0.998
  193   1HZ   LYS  24          1HZ       LYS  24 -13.791   6.047  -0.155
  194   2HZ   LYS  24          2HZ       LYS  24 -13.036   6.675  -1.473
  195   3HZ   LYS  24          3HZ       LYS  24 -13.262   5.048  -1.389
  196    H    GLY  25           H        GLY  25 -10.764   5.910   6.897
  197   1HA   GLY  25          1HA       GLY  25 -10.168   4.927   8.895
  198   2HA   GLY  25          2HA       GLY  25 -11.809   4.256   8.822
  199    H    VAL  26           H        VAL  26  -9.088   3.392   6.622
  200    HA   VAL  26           HA       VAL  26  -9.699   0.601   7.276
  201    HB   VAL  26           HB       VAL  26  -7.558   1.656   5.446
  202   1HG1  VAL  26          2HG1      VAL  26  -8.919  -1.040   5.558
  203   2HG1  VAL  26          3HG1      VAL  26  -7.795  -0.501   4.284
  204   3HG1  VAL  26          1HG1      VAL  26  -7.213  -0.687   5.932
  205   1HG2  VAL  26          1HG2      VAL  26 -10.495   0.993   4.876
  206   2HG2  VAL  26          2HG2      VAL  26  -9.685   2.547   4.616
  207   3HG2  VAL  26          3HG2      VAL  26  -9.290   1.165   3.592
  208    H    SER  27           H        SER  27  -8.332  -0.788   8.100
  209    HA   SER  27           HA       SER  27  -6.576   0.269  10.225
  210   1HB   SER  27          1HB       SER  27  -7.760  -2.513   9.925
  211   2HB   SER  27          2HB       SER  27  -7.191  -1.723  11.401
  212    HG   SER  27           HG       SER  27  -8.883  -0.106  10.974
  213    H    PHE  28           H        PHE  28  -5.140   0.587   8.149
  214    HA   PHE  28           HA       PHE  28  -3.726  -1.795   7.179
  215   1HB   PHE  28          1HB       PHE  28  -2.419  -0.153   5.869
  216   2HB   PHE  28          2HB       PHE  28  -4.140   0.102   5.674
  217    HD1  PHE  28           HD2      PHE  28  -1.122   1.416   7.524
  218    HD2  PHE  28           HD1      PHE  28  -5.162   2.201   6.214
  219    HE1  PHE  28           HE2      PHE  28  -0.958   3.717   8.378
  220    HE2  PHE  28           HE1      PHE  28  -4.951   4.539   6.997
  221    HZ   PHE  28           HZ       PHE  28  -2.856   5.306   8.083
  222    H    GLN  29           H        GLN  29  -1.226  -1.633   7.169
  223    HA   GLN  29           HA       GLN  29  -0.107  -0.742   9.708
  224   1HB   GLN  29          1HB       GLN  29  -0.527  -3.414   9.351
  225   2HB   GLN  29          2HB       GLN  29   0.925  -3.263   8.406
  226   1HG   GLN  29          1HG       GLN  29   1.544  -1.765  10.705
  227   2HG   GLN  29          2HG       GLN  29   0.536  -3.061  11.344
  228   1HE2  GLN  29          2HE2      GLN  29   4.206  -3.912   9.663
  229   2HE2  GLN  29          1HE2      GLN  29   3.419  -2.390   9.234
  230    H    GLU  30           H        GLU  30   1.118   0.875   8.993
  231    HA   GLU  30           HA       GLU  30   2.296   1.093   6.394
  232   1HB   GLU  30          1HB       GLU  30   2.075   2.963   8.173
  233   2HB   GLU  30          2HB       GLU  30   3.544   2.223   8.901
  234   1HG   GLU  30          1HG       GLU  30   4.835   2.582   7.002
  235   2HG   GLU  30          2HG       GLU  30   3.415   2.979   6.016
  236    H    LEU  31           H        LEU  31   4.372   0.721   5.751
  237    HA   LEU  31           HA       LEU  31   6.165  -1.107   7.248
  238   1HB   LEU  31          1HB       LEU  31   4.979  -1.698   4.541
  239   2HB   LEU  31          2HB       LEU  31   6.475  -2.434   5.118
  240    HG   LEU  31           HG       LEU  31   3.780  -2.642   6.551
  241   1HD1  LEU  31          1HD1      LEU  31   3.800  -3.764   4.391
  242   2HD1  LEU  31          2HD1      LEU  31   5.295  -4.631   4.845
  243   3HD1  LEU  31          3HD1      LEU  31   3.789  -4.932   5.741
  244   1HD2  LEU  31          3HD2      LEU  31   6.451  -4.048   6.989
  245   2HD2  LEU  31          1HD2      LEU  31   5.620  -2.972   8.134
  246   3HD2  LEU  31          2HD2      LEU  31   4.917  -4.541   7.732
  247    HA   PRO  32           HA       PRO  32   8.381   2.531   5.500
  248   1HB   PRO  32          1HB       PRO  32  10.347   1.733   7.595
  249   2HB   PRO  32          2HB       PRO  32   9.608   3.328   7.295
  250   1HG   PRO  32          1HG       PRO  32   8.877   1.749   9.431
  251   2HG   PRO  32          2HG       PRO  32   7.700   2.782   8.567
  252   1HD   PRO  32          1HD       PRO  32   8.116  -0.194   8.254
  253   2HD   PRO  32          2HD       PRO  32   6.606   0.748   8.301
  254    H    ILE  33           H        ILE  33   9.895   2.375   3.858
  255    HA   ILE  33           HA       ILE  33  11.996   0.253   4.013
  256    HB   ILE  33           HB       ILE  33  12.034   0.273   1.563
  257   1HG1  ILE  33          1HG1      ILE  33   9.556   0.891   0.639
  258   2HG1  ILE  33          2HG1      ILE  33   9.877   2.170   1.742
  259   1HG2  ILE  33          3HG2      ILE  33   9.512  -0.597   2.943
  260   2HG2  ILE  33          1HG2      ILE  33  10.076  -1.241   1.377
  261   3HG2  ILE  33          2HG2      ILE  33  11.043  -1.494   2.853
  262   1HD1  ILE  33          3HD1      ILE  33  12.148   2.506   0.553
  263   2HD1  ILE  33          1HD1      ILE  33  11.488   1.421  -0.695
  264   3HD1  ILE  33          2HD1      ILE  33  10.701   2.947  -0.358
  265    H    ASP  34           H        ASP  34  11.628   3.536   4.325
  266    HA   ASP  34           HA       ASP  34  14.023   4.241   2.874
  267   1HB   ASP  34          1HB       ASP  34  14.039   6.269   4.429
  268   2HB   ASP  34          2HB       ASP  34  12.596   6.103   3.444
  269    H    GLY  35           H        GLY  35  16.111   4.063   3.647
  270   1HA   GLY  35          1HA       GLY  35  17.864   3.324   4.869
  271   2HA   GLY  35          2HA       GLY  35  16.862   3.394   6.324
  272    H    ASN  36           H        ASN  36  14.861   1.540   5.520
  273    HA   ASN  36           HA       ASN  36  16.207  -1.009   6.007
  274   1HB   ASN  36          1HB       ASN  36  14.330  -0.668   7.340
  275   2HB   ASN  36          2HB       ASN  36  13.375   0.024   6.029
  276   1HD2  ASN  36          2HD2      ASN  36  11.943  -2.865   4.972
  277   2HD2  ASN  36          1HD2      ASN  36  11.655  -1.279   5.630
  278    H    ALA  37           H        ALA  37  17.327  -0.612   3.883
  279    HA   ALA  37           HA       ALA  37  15.999  -1.181   1.417
  280   1HB   ALA  37          2HB       ALA  37  18.905  -1.575   2.214
  281   2HB   ALA  37          3HB       ALA  37  18.272  -1.682   0.558
  282   3HB   ALA  37          1HB       ALA  37  18.191  -0.143   1.441
  283    H    ALA  38           H        ALA  38  16.942  -3.237   4.038
  284    HA   ALA  38           HA       ALA  38  17.042  -5.760   2.769
  285   1HB   ALA  38          1HB       ALA  38  16.141  -5.018   5.591
  286   2HB   ALA  38          2HB       ALA  38  16.469  -6.668   5.019
  287   3HB   ALA  38          3HB       ALA  38  17.779  -5.480   5.073
  288    H    LYS  39           H        LYS  39  14.182  -4.599   4.718
  289    HA   LYS  39           HA       LYS  39  12.530  -6.468   3.255
  290   1HB   LYS  39          1HB       LYS  39  12.210  -5.392   5.673
  291   2HB   LYS  39          2HB       LYS  39  11.194  -4.260   4.748
  292   1HG   LYS  39          1HG       LYS  39   9.723  -5.969   4.017
  293   2HG   LYS  39          2HG       LYS  39  10.830  -7.249   4.532
  294   1HD   LYS  39          1HD       LYS  39   8.974  -7.051   6.104
  295   2HD   LYS  39          2HD       LYS  39  10.519  -6.683   6.868
  296   1HE   LYS  39          1HE       LYS  39   9.994  -4.211   6.548
  297   2HE   LYS  39          2HE       LYS  39   8.371  -4.692   6.013
  298   1HZ   LYS  39          2HZ       LYS  39   9.585  -5.292   8.644
  299   2HZ   LYS  39          3HZ       LYS  39   8.462  -4.135   8.372
  300   3HZ   LYS  39          1HZ       LYS  39   8.058  -5.718   8.194
  301    H    ARG  40           H        ARG  40  13.681  -3.312   2.398
  302    HA   ARG  40           HA       ARG  40  11.577  -2.667   0.558
  303   1HB   ARG  40          1HB       ARG  40  13.604  -1.165   1.134
  304   2HB   ARG  40          2HB       ARG  40  14.539  -2.190   0.036
  305   1HG   ARG  40          1HG       ARG  40  12.981  -1.674  -1.801
  306   2HG   ARG  40          2HG       ARG  40  11.994  -0.726  -0.691
  307   1HD   ARG  40          1HD       ARG  40  13.374   0.765  -2.064
  308   2HD   ARG  40          2HD       ARG  40  13.871   0.863  -0.366
  309    HE   ARG  40           HE       ARG  40  15.380  -1.066  -1.971
  310   1HH1  ARG  40          2HH2      ARG  40  15.257   2.483  -1.362
  311   2HH1  ARG  40          1HH2      ARG  40  16.953   2.602  -1.180
  312   1HH2  ARG  40          2HH1      ARG  40  17.610  -0.774  -2.068
  313   2HH2  ARG  40          1HH1      ARG  40  18.338   0.776  -1.765
  314    H    GLU  41           H        GLU  41  14.484  -4.876   0.334
  315    HA   GLU  41           HA       GLU  41  13.796  -5.425  -2.376
  316   1HB   GLU  41          1HB       GLU  41  16.036  -6.014  -0.730
  317   2HB   GLU  41          2HB       GLU  41  15.373  -7.579  -1.245
  318   1HG   GLU  41          1HG       GLU  41  15.190  -6.488  -3.617
  319   2HG   GLU  41          2HG       GLU  41  16.252  -5.231  -2.968
  320    H    GLU  42           H        GLU  42  12.740  -6.862   0.652
  321    HA   GLU  42           HA       GLU  42  11.386  -9.107  -0.518
  322   1HB   GLU  42          1HB       GLU  42  11.747  -8.765   1.940
  323   2HB   GLU  42          2HB       GLU  42  10.595  -7.435   1.906
  324   1HG   GLU  42          1HG       GLU  42   9.448  -9.324   2.748
  325   2HG   GLU  42          2HG       GLU  42   8.819  -9.037   1.132
  326    H    MET  43           H        MET  43  10.340  -5.707   0.136
  327    HA   MET  43           HA       MET  43   7.799  -5.829  -1.092
  328   1HB   MET  43          1HB       MET  43   8.156  -4.006   0.200
  329   2HB   MET  43          2HB       MET  43   9.715  -3.600  -0.469
  330   1HG   MET  43          1HG       MET  43   7.259  -3.397  -2.212
  331   2HG   MET  43          2HG       MET  43   7.572  -2.169  -0.999
  332   1HE   MET  43          2HE       MET  43   9.560  -0.630  -0.884
  333   2HE   MET  43          3HE       MET  43  10.019   0.157  -2.405
  334   3HE   MET  43          1HE       MET  43   8.301   0.002  -1.973
  335    H    ILE  44           H        ILE  44  10.988  -5.208  -2.584
  336    HA   ILE  44           HA       ILE  44  10.065  -4.761  -5.215
  337    HB   ILE  44           HB       ILE  44  12.669  -5.870  -4.146
  338   1HG1  ILE  44          1HG1      ILE  44  12.001  -3.242  -5.503
  339   2HG1  ILE  44          2HG1      ILE  44  11.965  -3.434  -3.763
  340   1HG2  ILE  44          2HG2      ILE  44  12.037  -5.211  -7.035
  341   2HG2  ILE  44          3HG2      ILE  44  13.663  -5.508  -6.377
  342   3HG2  ILE  44          1HG2      ILE  44  12.483  -6.805  -6.376
  343   1HD1  ILE  44          1HD1      ILE  44  14.454  -4.238  -4.027
  344   2HD1  ILE  44          2HD1      ILE  44  14.358  -3.408  -5.589
  345   3HD1  ILE  44          3HD1      ILE  44  14.062  -2.526  -4.076
  346    H    LYS  45           H        LYS  45  11.098  -7.898  -3.737
  347    HA   LYS  45           HA       LYS  45  10.367  -9.440  -6.010
  348   1HB   LYS  45          1HB       LYS  45  11.641 -10.063  -3.741
  349   2HB   LYS  45          2HB       LYS  45  10.040 -10.562  -3.226
  350   1HG   LYS  45          1HG       LYS  45  11.000 -12.533  -4.123
  351   2HG   LYS  45          2HG       LYS  45   9.931 -11.959  -5.399
  352   1HD   LYS  45          1HD       LYS  45  11.964 -12.625  -6.468
  353   2HD   LYS  45          2HD       LYS  45  11.991 -10.857  -6.472
  354   1HE   LYS  45          1HE       LYS  45  13.292 -11.197  -4.183
  355   2HE   LYS  45          2HE       LYS  45  13.585 -12.822  -4.793
  356   1HZ   LYS  45          3HZ       LYS  45  14.644 -11.755  -6.749
  357   2HZ   LYS  45          1HZ       LYS  45  14.348 -10.277  -6.098
  358   3HZ   LYS  45          2HZ       LYS  45  15.365 -11.283  -5.332
  359    H    ARG  46           H        ARG  46   8.483  -8.394  -3.187
  360    HA   ARG  46           HA       ARG  46   6.051  -9.728  -3.813
  361   1HB   ARG  46          1HB       ARG  46   6.755  -7.358  -2.068
  362   2HB   ARG  46          2HB       ARG  46   5.120  -7.951  -2.234
  363   1HG   ARG  46          1HG       ARG  46   5.650 -10.095  -1.350
  364   2HG   ARG  46          2HG       ARG  46   7.362  -9.660  -1.157
  365   1HD   ARG  46          1HD       ARG  46   6.853  -8.003   0.508
  366   2HD   ARG  46          2HD       ARG  46   5.128  -8.000   0.082
  367    HE   ARG  46           HE       ARG  46   5.977 -10.600   0.920
  368   1HH1  ARG  46          2HH2      ARG  46   5.356  -7.462   2.487
  369   2HH1  ARG  46          1HH2      ARG  46   4.195  -8.081   3.618
  370   1HH2  ARG  46          2HH1      ARG  46   4.540 -11.441   2.478
  371   2HH2  ARG  46          1HH1      ARG  46   4.120 -10.474   3.865
  372    H    SER  47           H        SER  47   7.386  -6.912  -5.392
  373    HA   SER  47           HA       SER  47   4.635  -6.402  -6.480
  374   1HB   SER  47          1HB       SER  47   4.844  -4.035  -6.056
  375   2HB   SER  47          2HB       SER  47   4.977  -4.942  -4.546
  376    HG   SER  47           HG       SER  47   7.228  -4.631  -4.624
  377    H    GLY  48           H        GLY  48   7.917  -6.663  -7.409
  378   1HA   GLY  48          1HA       GLY  48   8.878  -6.372  -9.476
  379   2HA   GLY  48          2HA       GLY  48   7.287  -6.002 -10.138
  380    H    ARG  49           H        ARG  49   8.405  -4.073  -7.387
  381    HA   ARG  49           HA       ARG  49   9.145  -1.761  -9.087
  382   1HB   ARG  49          1HB       ARG  49   6.916  -1.880  -6.994
  383   2HB   ARG  49          2HB       ARG  49   7.532  -0.385  -7.708
  384   1HG   ARG  49          1HG       ARG  49   6.644  -1.018  -9.868
  385   2HG   ARG  49          2HG       ARG  49   6.167  -2.610  -9.278
  386   1HD   ARG  49          1HD       ARG  49   4.562  -1.595  -7.728
  387   2HD   ARG  49          2HD       ARG  49   5.100   0.016  -8.204
  388    HE   ARG  49           HE       ARG  49   3.795  -0.021 -10.034
  389   1HH1  ARG  49          2HH2      ARG  49   4.363  -3.491  -9.452
  390   2HH1  ARG  49          1HH2      ARG  49   3.044  -3.964 -10.423
  391   1HH2  ARG  49          2HH1      ARG  49   2.126  -0.706 -11.389
  392   2HH2  ARG  49          1HH1      ARG  49   1.648  -2.370 -11.426
  393    H    THR  50           H        THR  50  10.481  -0.292  -7.821
  394    HA   THR  50           HA       THR  50  11.136  -1.232  -5.091
  395    HB   THR  50           HB       THR  50  13.005  -1.527  -6.414
  396    HG1  THR  50           HG1      THR  50  12.939   0.514  -4.492
  397   1HG2  THR  50          2HG2      THR  50  12.726   1.412  -6.903
  398   2HG2  THR  50          3HG2      THR  50  14.140   0.376  -7.324
  399   3HG2  THR  50          1HG2      THR  50  12.562   0.087  -8.102
  400    H    THR  51           H        THR  51   9.152   0.999  -6.552
  401    HA   THR  51           HA       THR  51   9.862   3.144  -4.649
  402    HB   THR  51           HB       THR  51   8.433   4.463  -6.325
  403    HG1  THR  51           HG1      THR  51   9.234   2.396  -8.096
  404   1HG2  THR  51          3HG2      THR  51  11.160   3.352  -7.054
  405   2HG2  THR  51          1HG2      THR  51  10.378   4.684  -7.944
  406   3HG2  THR  51          2HG2      THR  51  10.805   4.874  -6.243
  407    H    VAL  52           H        VAL  52   8.353   4.056  -3.385
  408    HA   VAL  52           HA       VAL  52   6.085   2.344  -2.729
  409    HB   VAL  52           HB       VAL  52   5.943   3.720  -0.677
  410   1HG1  VAL  52          3HG1      VAL  52   7.438   1.806  -0.814
  411   2HG1  VAL  52          1HG1      VAL  52   8.754   2.849  -1.394
  412   3HG1  VAL  52          2HG1      VAL  52   8.096   3.055   0.238
  413   1HG2  VAL  52          3HG2      VAL  52   6.598   5.920  -1.729
  414   2HG2  VAL  52          1HG2      VAL  52   7.269   5.550  -0.148
  415   3HG2  VAL  52          2HG2      VAL  52   8.278   5.388  -1.572
  416    HA   PRO  53           HA       PRO  53   4.388   2.588  -1.252
  417   1HB   PRO  53          1HB       PRO  53   1.772   2.690  -0.736
  418   2HB   PRO  53          2HB       PRO  53   2.805   4.087  -0.304
  419   1HG   PRO  53          1HG       PRO  53   1.065   3.730  -2.755
  420   2HG   PRO  53          2HG       PRO  53   1.171   5.158  -1.670
  421   1HD   PRO  53          1HD       PRO  53   2.576   4.837  -4.054
  422   2HD   PRO  53          2HD       PRO  53   3.116   5.903  -2.713
  423    H    GLN  54           H        GLN  54   3.202   0.577  -1.076
  424    HA   GLN  54           HA       GLN  54   1.774  -0.400  -3.451
  425   1HB   GLN  54          1HB       GLN  54   4.062  -1.911  -2.072
  426   2HB   GLN  54          2HB       GLN  54   2.861  -2.634  -3.142
  427   1HG   GLN  54          1HG       GLN  54   4.397  -2.311  -4.724
  428   2HG   GLN  54          2HG       GLN  54   3.740  -0.691  -4.805
  429   1HE2  GLN  54          2HE2      GLN  54   7.572  -0.875  -4.372
  430   2HE2  GLN  54          1HE2      GLN  54   6.612  -2.145  -5.054
  431    H    ILE  55           H        ILE  55  -0.124  -1.443  -2.678
  432    HA   ILE  55           HA       ILE  55  -0.282  -1.725   0.257
  433    HB   ILE  55           HB       ILE  55  -2.446  -1.329  -1.846
  434   1HG1  ILE  55          1HG1      ILE  55  -2.993   0.662  -0.282
  435   2HG1  ILE  55          2HG1      ILE  55  -1.390   0.442   0.393
  436   1HG2  ILE  55          3HG2      ILE  55  -2.637  -1.831   1.163
  437   2HG2  ILE  55          1HG2      ILE  55  -3.995  -1.295   0.165
  438   3HG2  ILE  55          2HG2      ILE  55  -3.273  -2.863  -0.133
  439   1HD1  ILE  55          2HD1      ILE  55  -1.924   0.994  -2.560
  440   2HD1  ILE  55          3HD1      ILE  55  -1.669   2.265  -1.350
  441   3HD1  ILE  55          1HD1      ILE  55  -0.367   1.133  -1.705
  442    H    PHE  56           H        PHE  56  -1.058  -3.692   0.986
  443    HA   PHE  56           HA       PHE  56  -1.386  -5.918  -0.918
  444   1HB   PHE  56          1HB       PHE  56   0.317  -5.902   1.614
  445   2HB   PHE  56          2HB       PHE  56  -0.186  -7.344   0.737
  446    HD1  PHE  56           HD1      PHE  56   1.849  -4.206   0.433
  447    HD2  PHE  56           HD2      PHE  56   0.978  -8.107  -1.190
  448    HE1  PHE  56           HE1      PHE  56   3.770  -3.999  -1.148
  449    HE2  PHE  56           HE2      PHE  56   2.913  -7.906  -2.700
  450    HZ   PHE  56           HZ       PHE  56   4.297  -5.842  -2.704
  451    H    ILE  57           H        ILE  57  -3.110  -7.165  -0.308
  452    HA   ILE  57           HA       ILE  57  -4.258  -6.800   2.432
  453    HB   ILE  57           HB       ILE  57  -5.846  -6.897  -0.171
  454   1HG1  ILE  57          1HG1      ILE  57  -5.593  -4.618   1.845
  455   2HG1  ILE  57          2HG1      ILE  57  -4.807  -4.661   0.274
  456   1HG2  ILE  57          3HG2      ILE  57  -6.936  -8.131   1.694
  457   2HG2  ILE  57          1HG2      ILE  57  -6.810  -6.701   2.730
  458   3HG2  ILE  57          2HG2      ILE  57  -7.843  -6.691   1.287
  459   1HD1  ILE  57          2HD1      ILE  57  -7.060  -4.784  -0.829
  460   2HD1  ILE  57          3HD1      ILE  57  -7.791  -4.498   0.765
  461   3HD1  ILE  57          1HD1      ILE  57  -6.721  -3.281   0.051
  462    H    ASP  58           H        ASP  58  -3.867  -8.790   3.309
  463    HA   ASP  58           HA       ASP  58  -3.390 -11.054   3.431
  464   1HB   ASP  58          1HB       ASP  58  -5.816 -11.088   1.682
  465   2HB   ASP  58          2HB       ASP  58  -5.187 -12.511   2.521
  466    H    ALA  59           H        ALA  59  -1.787  -9.950   1.777
  467    HA   ALA  59           HA       ALA  59  -0.133 -10.262   0.281
  468   1HB   ALA  59          1HB       ALA  59  -0.026 -12.532   1.298
  469   2HB   ALA  59          2HB       ALA  59  -1.060 -13.119  -0.016
  470   3HB   ALA  59          3HB       ALA  59   0.546 -12.472  -0.380
  471    H    GLN  60           H        GLN  60  -3.252 -10.065  -0.739
  472    HA   GLN  60           HA       GLN  60  -2.841 -10.430  -3.614
  473   1HB   GLN  60          1HB       GLN  60  -4.905  -8.745  -2.117
  474   2HB   GLN  60          2HB       GLN  60  -4.947  -9.154  -3.816
  475   1HG   GLN  60          1HG       GLN  60  -5.587 -11.369  -3.437
  476   2HG   GLN  60          2HG       GLN  60  -4.933 -11.418  -1.804
  477   1HE2  GLN  60          2HE2      GLN  60  -7.793 -10.110  -0.137
  478   2HE2  GLN  60          1HE2      GLN  60  -6.055 -10.256  -0.106
  479    H    HIS  61           H        HIS  61  -1.167  -9.201  -4.413
  480    HA   HIS  61           HA       HIS  61  -0.422  -6.647  -3.192
  481   1HB   HIS  61          1HB       HIS  61   1.334  -8.061  -4.225
  482   2HB   HIS  61          2HB       HIS  61   0.453  -8.110  -5.740
  483    HD1  HIS  61           HD1      HIS  61   1.884  -6.768  -7.420
  484    HD2  HIS  61           HD2      HIS  61   1.275  -4.887  -3.665
  485    HE1  HIS  61           HE1      HIS  61   2.779  -4.375  -7.654
  486    HE2  HIS  61           HE2      HIS  61   2.246  -3.181  -5.410
  487    H    ILE  62           H        ILE  62  -1.626  -4.795  -3.606
  488    HA   ILE  62           HA       ILE  62  -3.642  -4.892  -5.630
  489    HB   ILE  62           HB       ILE  62  -2.644  -2.407  -4.189
  490   1HG1  ILE  62          1HG1      ILE  62  -2.980  -3.911  -2.413
  491   2HG1  ILE  62          2HG1      ILE  62  -4.365  -2.857  -2.447
  492   1HG2  ILE  62          3HG2      ILE  62  -5.326  -3.191  -5.391
  493   2HG2  ILE  62          1HG2      ILE  62  -5.059  -1.747  -4.403
  494   3HG2  ILE  62          2HG2      ILE  62  -4.237  -1.909  -5.954
  495   1HD1  ILE  62          3HD1      ILE  62  -4.415  -5.688  -3.585
  496   2HD1  ILE  62          1HD1      ILE  62  -4.989  -5.216  -1.991
  497   3HD1  ILE  62          2HD1      ILE  62  -5.786  -4.566  -3.433
  498    H    GLY  63           H        GLY  63  -0.517  -3.219  -5.420
  499   1HA   GLY  63          1HA       GLY  63   0.551  -3.027  -7.847
  500   2HA   GLY  63          2HA       GLY  63  -0.867  -1.994  -8.077
  501    H    GLY  64           H        GLY  64  -0.271   0.072  -7.880
  502   1HA   GLY  64          1HA       GLY  64   1.379   0.982  -5.600
  503   2HA   GLY  64          2HA       GLY  64   1.100   1.860  -7.105
  504    H    TYR  65           H        TYR  65   0.088   3.657  -6.208
  505    HA   TYR  65           HA       TYR  65  -2.107   3.344  -4.246
  506   1HB   TYR  65          1HB       TYR  65  -0.552   5.066  -3.618
  507   2HB   TYR  65          2HB       TYR  65  -0.535   5.733  -5.237
  508    HD1  TYR  65           HD2      TYR  65  -2.965   4.961  -2.478
  509    HD2  TYR  65           HD1      TYR  65  -1.933   7.567  -5.754
  510    HE1  TYR  65           HE2      TYR  65  -4.774   6.486  -1.827
  511    HE2  TYR  65           HE1      TYR  65  -3.741   9.124  -5.090
  512    HH   TYR  65           HH       TYR  65  -5.188   9.703  -3.216
  513    H    ASP  66           H        ASP  66  -1.462   4.803  -7.526
  514    HA   ASP  66           HA       ASP  66  -4.153   5.600  -7.996
  515   1HB   ASP  66          1HB       ASP  66  -1.858   4.843  -9.808
  516   2HB   ASP  66          2HB       ASP  66  -3.473   5.089 -10.469
  517    H    ASP  67           H        ASP  67  -2.548   2.429  -8.278
  518    HA   ASP  67           HA       ASP  67  -4.661   0.972  -9.522
  519   1HB   ASP  67          1HB       ASP  67  -2.645   0.045  -7.426
  520   2HB   ASP  67          2HB       ASP  67  -3.729  -1.011  -8.322
  521    H    LEU  68           H        LEU  68  -3.866   1.544  -6.068
  522    HA   LEU  68           HA       LEU  68  -6.073   0.064  -5.013
  523   1HB   LEU  68          1HB       LEU  68  -4.029   0.757  -3.689
  524   2HB   LEU  68          2HB       LEU  68  -4.626   2.412  -3.725
  525    HG   LEU  68           HG       LEU  68  -6.882   1.150  -2.784
  526   1HD1  LEU  68          3HD1      LEU  68  -4.555  -0.559  -1.961
  527   2HD1  LEU  68          1HD1      LEU  68  -5.991  -0.417  -0.944
  528   3HD1  LEU  68          2HD1      LEU  68  -6.145  -1.045  -2.583
  529   1HD2  LEU  68          1HD2      LEU  68  -5.875   3.114  -1.822
  530   2HD2  LEU  68          2HD2      LEU  68  -6.396   1.940  -0.626
  531   3HD2  LEU  68          3HD2      LEU  68  -4.655   2.096  -1.011
  532    H    TYR  69           H        TYR  69  -5.679   3.553  -5.619
  533    HA   TYR  69           HA       TYR  69  -8.149   4.517  -4.713
  534   1HB   TYR  69          1HB       TYR  69  -6.355   5.998  -5.455
  535   2HB   TYR  69          2HB       TYR  69  -6.386   5.336  -7.066
  536    HD1  TYR  69           HD2      TYR  69  -8.620   7.187  -4.636
  537    HD2  TYR  69           HD1      TYR  69  -7.773   6.185  -8.742
  538    HE1  TYR  69           HE2      TYR  69 -10.466   8.654  -5.363
  539    HE2  TYR  69           HE1      TYR  69  -9.634   7.638  -9.484
  540    HH   TYR  69           HH       TYR  69 -11.903   9.096  -7.216
  541    H    ALA  70           H        ALA  70  -7.276   3.257  -7.900
  542    HA   ALA  70           HA       ALA  70  -9.905   3.661  -9.030
  543   1HB   ALA  70          3HB       ALA  70  -7.833   3.440 -10.354
  544   2HB   ALA  70          1HB       ALA  70  -7.702   1.731  -9.892
  545   3HB   ALA  70          2HB       ALA  70  -9.077   2.284 -10.877
  546    H    LEU  71           H        LEU  71  -8.326   0.953  -7.387
  547    HA   LEU  71           HA       LEU  71 -10.451  -0.970  -7.812
  548   1HB   LEU  71          1HB       LEU  71  -7.915  -1.208  -6.959
  549   2HB   LEU  71          2HB       LEU  71  -8.651  -1.068  -5.381
  550    HG   LEU  71           HG       LEU  71  -9.564  -3.095  -7.490
  551   1HD1  LEU  71          1HD1      LEU  71  -7.195  -3.430  -6.894
  552   2HD1  LEU  71          2HD1      LEU  71  -7.668  -3.526  -5.168
  553   3HD1  LEU  71          3HD1      LEU  71  -8.234  -4.751  -6.324
  554   1HD2  LEU  71          2HD2      LEU  71 -10.010  -3.047  -4.515
  555   2HD2  LEU  71          3HD2      LEU  71 -11.237  -2.871  -5.809
  556   3HD2  LEU  71          1HD2      LEU  71 -10.406  -4.399  -5.586
  557    H    ASP  72           H        ASP  72  -9.725   1.441  -5.311
  558    HA   ASP  72           HA       ASP  72 -11.838   0.794  -3.501
  559   1HB   ASP  72          1HB       ASP  72  -9.808   2.247  -3.015
  560   2HB   ASP  72          2HB       ASP  72 -10.546   3.525  -3.971
  561    H    ALA  73           H        ALA  73 -11.556   3.429  -5.829
  562    HA   ALA  73           HA       ALA  73 -14.227   4.220  -5.752
  563   1HB   ALA  73          2HB       ALA  73 -12.348   5.606  -6.612
  564   2HB   ALA  73          3HB       ALA  73 -12.256   4.571  -8.054
  565   3HB   ALA  73          1HB       ALA  73 -13.700   5.563  -7.758
  566    H    ARG  74           H        ARG  74 -13.062   1.443  -7.499
  567    HA   ARG  74           HA       ARG  74 -15.493   1.273  -9.137
  568   1HB   ARG  74          1HB       ARG  74 -14.539  -0.440 -10.170
  569   2HB   ARG  74          2HB       ARG  74 -13.063   0.204  -9.532
  570   1HG   ARG  74          1HG       ARG  74 -13.228  -1.464  -7.647
  571   2HG   ARG  74          2HG       ARG  74 -14.637  -2.160  -8.429
  572   1HD   ARG  74          1HD       ARG  74 -13.216  -2.647 -10.444
  573   2HD   ARG  74          2HD       ARG  74 -11.831  -1.982  -9.581
  574    HE   ARG  74           HE       ARG  74 -11.581  -3.961  -8.486
  575   1HH1  ARG  74          2HH2      ARG  74 -14.893  -3.973  -9.824
  576   2HH1  ARG  74          1HH2      ARG  74 -15.202  -5.585  -9.248
  577   1HH2  ARG  74          2HH1      ARG  74 -12.077  -6.007  -7.717
  578   2HH2  ARG  74          1HH1      ARG  74 -13.702  -6.645  -7.805
  579    H    GLY  75           H        GLY  75 -14.850   0.921  -5.854
  580   1HA   GLY  75          1HA       GLY  75 -16.107   0.191  -4.136
  581   2HA   GLY  75          2HA       GLY  75 -17.276  -0.533  -5.257
  582    H    GLY  76           H        GLY  76 -13.814  -1.484  -5.752
  583   1HA   GLY  76          1HA       GLY  76 -14.832  -4.215  -5.328
  584   2HA   GLY  76          2HA       GLY  76 -13.307  -3.724  -6.074
  585    H    LEU  77           H        LEU  77 -12.578  -1.824  -4.008
  586    HA   LEU  77           HA       LEU  77 -10.989  -3.603  -2.531
  587   1HB   LEU  77          1HB       LEU  77 -10.552  -1.172  -3.282
  588   2HB   LEU  77          2HB       LEU  77 -11.436  -0.655  -1.863
  589    HG   LEU  77           HG       LEU  77  -8.764  -2.055  -2.019
  590   1HD1  LEU  77          3HD1      LEU  77  -9.805   0.533  -0.774
  591   2HD1  LEU  77          1HD1      LEU  77  -8.133  -0.007  -0.716
  592   3HD1  LEU  77          2HD1      LEU  77  -8.882   0.376  -2.282
  593   1HD2  LEU  77          2HD2      LEU  77 -10.443  -1.647   0.486
  594   2HD2  LEU  77          3HD2      LEU  77  -9.745  -3.174  -0.122
  595   3HD2  LEU  77          1HD2      LEU  77  -8.685  -1.910   0.491
  596    H    ASP  78           H        ASP  78 -13.739  -1.493  -1.601
  597    HA   ASP  78           HA       ASP  78 -13.585  -1.642   1.104
  598   1HB   ASP  78          1HB       ASP  78 -15.135  -0.137  -0.011
  599   2HB   ASP  78          2HB       ASP  78 -16.129  -1.465  -0.560
  600    HA   PRO  79           HA       PRO  79 -15.981  -5.655   1.724
  601   1HB   PRO  79          1HB       PRO  79 -16.819  -7.259  -0.301
  602   2HB   PRO  79          2HB       PRO  79 -17.751  -5.815   0.213
  603   1HG   PRO  79          1HG       PRO  79 -15.714  -6.029  -2.031
  604   2HG   PRO  79          2HG       PRO  79 -17.385  -5.392  -2.146
  605   1HD   PRO  79          1HD       PRO  79 -15.292  -3.738  -1.827
  606   2HD   PRO  79          2HD       PRO  79 -16.832  -3.452  -0.966
  607    H    LEU  80           H        LEU  80 -13.455  -5.461  -0.737
  608    HA   LEU  80           HA       LEU  80 -12.447  -8.190  -0.373
  609   1HB   LEU  80          1HB       LEU  80 -11.501  -5.751  -1.862
  610   2HB   LEU  80          2HB       LEU  80 -10.352  -6.997  -1.462
  611    HG   LEU  80           HG       LEU  80 -12.885  -7.553  -3.027
  612   1HD1  LEU  80          3HD1      LEU  80 -11.368  -6.036  -4.272
  613   2HD1  LEU  80          1HD1      LEU  80 -10.029  -7.167  -4.033
  614   3HD1  LEU  80          2HD1      LEU  80 -11.431  -7.637  -5.019
  615   1HD2  LEU  80          2HD2      LEU  80 -10.370  -9.228  -2.577
  616   2HD2  LEU  80          3HD2      LEU  80 -11.992  -9.590  -1.962
  617   3HD2  LEU  80          1HD2      LEU  80 -11.685  -9.638  -3.692
  618    H    LEU  81           H        LEU  81 -12.362  -5.293   1.454
  619    HA   LEU  81           HA       LEU  81  -9.908  -5.782   2.823
  620   1HB   LEU  81          1HB       LEU  81 -11.737  -3.753   2.724
  621   2HB   LEU  81          2HB       LEU  81 -12.258  -4.516   4.211
  622    HG   LEU  81           HG       LEU  81 -10.806  -2.646   4.642
  623   1HD1  LEU  81          3HD1      LEU  81 -10.545  -4.610   6.156
  624   2HD1  LEU  81          1HD1      LEU  81  -9.090  -5.068   5.256
  625   3HD1  LEU  81          2HD1      LEU  81  -9.166  -3.515   6.122
  626   1HD2  LEU  81          3HD2      LEU  81  -8.719  -4.041   2.912
  627   2HD2  LEU  81          1HD2      LEU  81  -9.626  -2.558   2.551
  628   3HD2  LEU  81          2HD2      LEU  81  -8.450  -2.586   3.857
  629    H    LYS  82           H        LYS  82 -12.702  -7.766   2.761
  630    HA   LYS  82           HA       LYS  82 -12.313  -8.776   5.484
  631   1HB   LYS  82          1HB       LYS  82 -14.202  -9.419   3.254
  632   2HB   LYS  82          2HB       LYS  82 -13.568 -10.805   4.141
  633   1HG   LYS  82          1HG       LYS  82 -14.120  -9.378   6.299
  634   2HG   LYS  82          2HG       LYS  82 -15.199  -8.507   5.211
  635   1HD   LYS  82          1HD       LYS  82 -16.249 -10.767   4.647
  636   2HD   LYS  82          2HD       LYS  82 -15.200 -11.480   5.878
  637   1HE   LYS  82          1HE       LYS  82 -17.446  -9.490   6.281
  638   2HE   LYS  82          2HE       LYS  82 -17.328 -11.155   6.881
  639   1HZ   LYS  82          1HZ       LYS  82 -15.404 -10.345   8.256
  640   2HZ   LYS  82          2HZ       LYS  82 -15.754  -8.822   7.790
  641   3HZ   LYS  82          3HZ       LYS  82 -16.823  -9.655   8.680
  642   1HB2  GTT  83          1HB2      GTT  83  10.024   7.743  -2.290
  643   2HB2  GTT  83          2HB2      GTT  83  11.158   8.660  -3.284
  644    HA2  GTT  83           HA2      GTT  83  10.844   7.343  -5.130
  645    HN2  GTT  83           HN2      GTT  83   8.127   6.590  -4.146
  646   1HG1  GTT  83          1HG1      GTT  83   6.419   7.414  -5.532
  647   2HG1  GTT  83          2HG1      GTT  83   6.700   5.844  -6.257
  648   1HB1  GTT  83          1HB1      GTT  83   6.429   6.558  -8.369
  649   2HB1  GTT  83          2HB1      GTT  83   7.174   8.143  -8.104
  650    HA1  GTT  83           HA1      GTT  83   4.490   7.529  -6.881
  651   1HN1  GTT  83          1HN1      GTT  83   3.804   8.899  -8.905
  652   2HN1  GTT  83          2HN1      GTT  83   5.072   8.172  -9.628
  653   3HN1  GTT  83          3HN1      GTT  83   3.845   7.236  -9.020
  654    HN3  GTT  83           HN3      GTT  83  12.669   6.142  -4.202
  655   1HA3  GTT  83          1HA3      GTT  83  12.055   3.766  -2.572
  656   2HA3  GTT  83          2HA3      GTT  83  12.307   3.481  -4.293
   
  No H/Q in entry =         656
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1  -8.577  -9.880   5.486
    2   2H    ALA   1          2H        ALA   1  -9.057 -10.243   7.028
    3   3H    ALA   1          3H        ALA   1  -9.978  -9.246   6.080
    4    HA   ALA   1           HA       ALA   1  -8.293  -7.626   5.991
    5   1HB   ALA   1          2HB       ALA   1  -9.968  -7.464   7.811
    6   2HB   ALA   1          3HB       ALA   1  -8.900  -8.419   8.862
    7   3HB   ALA   1          1HB       ALA   1  -8.383  -6.820   8.277
    8    H    ASN   2           H        ASN   2  -6.280  -8.086   5.293
    9    HA   ASN   2           HA       ASN   2  -4.338  -7.812   7.476
   10   1HB   ASN   2          1HB       ASN   2  -4.291 -10.222   6.799
   11   2HB   ASN   2          2HB       ASN   2  -3.896  -9.758   5.164
   12   1HD2  ASN   2          2HD2      ASN   2  -0.482  -8.817   5.800
   13   2HD2  ASN   2          1HD2      ASN   2  -1.906  -8.423   4.849
   14    H    VAL   3           H        VAL   3  -4.978  -5.566   6.568
   15    HA   VAL   3           HA       VAL   3  -4.086  -4.900   3.873
   16    HB   VAL   3           HB       VAL   3  -4.808  -3.202   6.296
   17   1HG1  VAL   3          2HG1      VAL   3  -4.430  -2.345   3.385
   18   2HG1  VAL   3          3HG1      VAL   3  -5.068  -1.322   4.691
   19   3HG1  VAL   3          1HG1      VAL   3  -3.396  -1.881   4.750
   20   1HG2  VAL   3          3HG2      VAL   3  -6.721  -4.511   5.430
   21   2HG2  VAL   3          1HG2      VAL   3  -6.903  -2.765   5.232
   22   3HG2  VAL   3          2HG2      VAL   3  -6.483  -3.770   3.830
   23    H    GLU   4           H        GLU   4  -2.063  -4.209   3.330
   24    HA   GLU   4           HA       GLU   4  -0.223  -3.296   5.415
   25   1HB   GLU   4          1HB       GLU   4   0.385  -5.176   3.095
   26   2HB   GLU   4          2HB       GLU   4   1.640  -4.389   4.042
   27   1HG   GLU   4          1HG       GLU   4   1.051  -5.615   6.021
   28   2HG   GLU   4          2HG       GLU   4  -0.429  -6.233   5.292
   29    H    ILE   5           H        ILE   5   0.972  -1.480   4.639
   30    HA   ILE   5           HA       ILE   5   0.894  -0.829   1.771
   31    HB   ILE   5           HB       ILE   5  -0.946   0.439   2.339
   32   1HG1  ILE   5          1HG1      ILE   5   1.251   2.418   2.844
   33   2HG1  ILE   5          2HG1      ILE   5   1.067   1.661   1.258
   34   1HG2  ILE   5          1HG2      ILE   5   0.419   1.377   4.891
   35   2HG2  ILE   5          2HG2      ILE   5  -1.150   1.953   4.301
   36   3HG2  ILE   5          3HG2      ILE   5  -0.952   0.266   4.771
   37   1HD1  ILE   5          3HD1      ILE   5  -0.956   3.466   2.654
   38   2HD1  ILE   5          1HD1      ILE   5   0.086   3.874   1.293
   39   3HD1  ILE   5          2HD1      ILE   5  -1.205   2.677   1.084
   40    H    TYR   6           H        TYR   6   2.952  -0.912   1.277
   41    HA   TYR   6           HA       TYR   6   5.071  -0.497   3.312
   42   1HB   TYR   6          1HB       TYR   6   4.849  -1.657   0.521
   43   2HB   TYR   6          2HB       TYR   6   6.370  -0.954   1.015
   44    HD1  TYR   6           HD2      TYR   6   3.827  -3.302   2.541
   45    HD2  TYR   6           HD1      TYR   6   7.954  -2.333   1.846
   46    HE1  TYR   6           HE2      TYR   6   4.522  -5.390   3.736
   47    HE2  TYR   6           HE1      TYR   6   8.655  -4.471   2.891
   48    HH   TYR   6           HH       TYR   6   7.860  -6.584   3.732
   49    H    THR   7           H        THR   7   5.787   1.633   3.588
   50    HA   THR   7           HA       THR   7   6.152   3.194   1.121
   51    HB   THR   7           HB       THR   7   5.208   5.121   1.912
   52    HG1  THR   7           HG1      THR   7   4.893   3.824   4.396
   53   1HG2  THR   7          3HG2      THR   7   3.540   3.388   1.059
   54   2HG2  THR   7          1HG2      THR   7   3.168   3.097   2.767
   55   3HG2  THR   7          2HG2      THR   7   2.871   4.695   2.023
   56    H    LYS   8           H        LYS   8   7.235   5.534   2.098
   57    HA   LYS   8           HA       LYS   8   9.159   4.821   4.126
   58   1HB   LYS   8          1HB       LYS   8  11.105   5.520   3.017
   59   2HB   LYS   8          2HB       LYS   8  10.407   4.228   2.064
   60   1HG   LYS   8          1HG       LYS   8  10.186   5.555   0.214
   61   2HG   LYS   8          2HG       LYS   8   9.535   6.905   1.124
   62   1HD   LYS   8          1HD       LYS   8  11.598   7.647   0.188
   63   2HD   LYS   8          2HD       LYS   8  11.845   7.465   1.934
   64   1HE   LYS   8          1HE       LYS   8  12.957   5.285   1.585
   65   2HE   LYS   8          2HE       LYS   8  12.556   5.360  -0.140
   66   1HZ   LYS   8          2HZ       LYS   8  13.956   7.507  -0.078
   67   2HZ   LYS   8          3HZ       LYS   8  14.673   6.829   1.244
   68   3HZ   LYS   8          1HZ       LYS   8  14.610   6.046  -0.211
   69    H    GLU   9           H        GLU   9  10.001   6.739   5.076
   70    HA   GLU   9           HA       GLU   9   8.370   8.774   5.669
   71   1HB   GLU   9          1HB       GLU   9  10.443   8.231   6.851
   72   2HB   GLU   9          2HB       GLU   9  11.412   8.829   5.499
   73   1HG   GLU   9          1HG       GLU   9  10.413  11.124   5.866
   74   2HG   GLU   9          2HG       GLU   9   9.536  10.468   7.251
   75    H    THR  10           H        THR  10  11.111   9.281   3.318
   76    HA   THR  10           HA       THR  10  10.123  11.876   2.652
   77    HB   THR  10           HB       THR  10  12.233  11.728   1.192
   78    HG1  THR  10           HG1      THR  10  13.592  10.092   1.580
   79   1HG2  THR  10          3HG2      THR  10  12.138  12.803   3.434
   80   2HG2  THR  10          1HG2      THR  10  12.504  11.235   4.185
   81   3HG2  THR  10          2HG2      THR  10  13.697  12.019   3.126
   82    H    CYS  11           H        CYS  11   7.992  10.713   1.874
   83    HA   CYS  11           HA       CYS  11   8.110  10.873  -1.039
   84   1HB   CYS  11          1HB       CYS  11   8.792   8.508  -0.327
   85   2HB   CYS  11          2HB       CYS  11   7.132   8.261   0.132
   86    HA   PRO  12           HA       PRO  12   4.134  12.429   0.590
   87   1HB   PRO  12          1HB       PRO  12   3.564  14.098  -1.531
   88   2HB   PRO  12          2HB       PRO  12   4.486  14.561  -0.072
   89   1HG   PRO  12          1HG       PRO  12   5.527  13.752  -2.783
   90   2HG   PRO  12          2HG       PRO  12   6.138  15.035  -1.697
   91   1HD   PRO  12          1HD       PRO  12   7.349  12.622  -1.847
   92   2HD   PRO  12          2HD       PRO  12   7.227  13.480  -0.300
   93    H    TYR  13           H        TYR  13   4.764  11.081  -2.709
   94    HA   TYR  13           HA       TYR  13   2.117  10.491  -3.488
   95   1HB   TYR  13          1HB       TYR  13   4.394  10.117  -4.751
   96   2HB   TYR  13          2HB       TYR  13   4.613   8.727  -3.736
   97    HD1  TYR  13           HD1      TYR  13   1.543   9.978  -5.587
   98    HD2  TYR  13           HD2      TYR  13   4.590   6.940  -5.225
   99    HE1  TYR  13           HE1      TYR  13   0.442   8.670  -7.346
  100    HE2  TYR  13           HE2      TYR  13   3.475   5.608  -6.968
  101    HH   TYR  13           HH       TYR  13   0.912   6.886  -8.945
  102    H    SER  14           H        SER  14   4.322   8.855  -1.271
  103    HA   SER  14           HA       SER  14   2.658   6.658  -0.574
  104   1HB   SER  14          1HB       SER  14   4.591   6.095   0.261
  105   2HB   SER  14          2HB       SER  14   5.270   7.641  -0.102
  106    HG   SER  14           HG       SER  14   5.357   8.026   1.954
  107    H    HIS  15           H        HIS  15   3.209   9.851   1.022
  108    HA   HIS  15           HA       HIS  15   1.348   9.412   3.139
  109   1HB   HIS  15          1HB       HIS  15   2.358  11.950   1.824
  110   2HB   HIS  15          2HB       HIS  15   1.032  12.020   2.961
  111    HD1  HIS  15           HD1      HIS  15   1.963  12.858   5.175
  112    HD2  HIS  15           HD2      HIS  15   4.374   9.943   3.268
  113    HE1  HIS  15           HE1      HIS  15   3.846  12.253   6.819
  114    HE2  HIS  15           HE2      HIS  15   5.282  10.430   5.640
  115    H    ARG  16           H        ARG  16   0.745  10.755  -0.103
  116    HA   ARG  16           HA       ARG  16  -2.026  11.081   0.004
  117   1HB   ARG  16          1HB       ARG  16   0.050  10.787  -2.033
  118   2HB   ARG  16          2HB       ARG  16  -1.402  10.005  -2.552
  119   1HG   ARG  16          1HG       ARG  16  -2.682  12.092  -2.169
  120   2HG   ARG  16          2HG       ARG  16  -1.244  12.875  -1.505
  121   1HD   ARG  16          1HD       ARG  16  -0.484  13.452  -3.529
  122   2HD   ARG  16          2HD       ARG  16  -0.625  11.804  -4.130
  123    HE   ARG  16           HE       ARG  16  -2.840  13.827  -4.086
  124   1HH1  ARG  16          2HH2      ARG  16  -0.954  11.558  -6.046
  125   2HH1  ARG  16          1HH2      ARG  16  -2.233  11.187  -7.135
  126   1HH2  ARG  16          2HH1      ARG  16  -4.563  13.435  -5.717
  127   2HH2  ARG  16          1HH1      ARG  16  -4.123  12.519  -7.104
  128    H    ALA  17           H        ALA  17  -0.351   7.960  -0.795
  129    HA   ALA  17           HA       ALA  17  -2.828   6.561  -0.866
  130   1HB   ALA  17          2HB       ALA  17  -0.771   5.688  -1.881
  131   2HB   ALA  17          3HB       ALA  17  -0.038   5.508  -0.273
  132   3HB   ALA  17          1HB       ALA  17  -1.448   4.516  -0.732
  133    H    LYS  18           H        LYS  18  -0.986   7.453   1.939
  134    HA   LYS  18           HA       LYS  18  -2.543   5.592   3.639
  135   1HB   LYS  18          1HB       LYS  18  -0.556   7.789   4.361
  136   2HB   LYS  18          2HB       LYS  18  -1.585   6.993   5.552
  137   1HG   LYS  18          1HG       LYS  18   0.270   5.630   5.687
  138   2HG   LYS  18          2HG       LYS  18  -0.734   4.750   4.567
  139   1HD   LYS  18          1HD       LYS  18   1.381   4.644   3.636
  140   2HD   LYS  18          2HD       LYS  18   0.542   5.820   2.672
  141   1HE   LYS  18          1HE       LYS  18   2.708   6.765   3.072
  142   2HE   LYS  18          2HE       LYS  18   1.602   7.637   4.139
  143   1HZ   LYS  18          3HZ       LYS  18   2.371   6.048   5.915
  144   2HZ   LYS  18          1HZ       LYS  18   3.574   5.565   4.882
  145   3HZ   LYS  18          2HZ       LYS  18   3.483   7.104   5.396
  146    H    ALA  19           H        ALA  19  -2.599   9.079   2.867
  147    HA   ALA  19           HA       ALA  19  -4.869   9.669   4.499
  148   1HB   ALA  19          3HB       ALA  19  -3.350  11.381   3.532
  149   2HB   ALA  19          1HB       ALA  19  -3.946  10.983   1.903
  150   3HB   ALA  19          2HB       ALA  19  -5.048  11.678   3.111
  151    H    LEU  20           H        LEU  20  -4.600   8.089   1.361
  152    HA   LEU  20           HA       LEU  20  -7.403   8.249   0.693
  153   1HB   LEU  20          1HB       LEU  20  -5.556   7.677  -0.838
  154   2HB   LEU  20          2HB       LEU  20  -5.355   6.126  -0.052
  155    HG   LEU  20           HG       LEU  20  -7.056   6.885  -2.249
  156   1HD1  LEU  20          1HD1      LEU  20  -6.674   4.212  -0.850
  157   2HD1  LEU  20          2HD1      LEU  20  -7.438   4.423  -2.427
  158   3HD1  LEU  20          3HD1      LEU  20  -5.735   4.825  -2.238
  159   1HD2  LEU  20          3HD2      LEU  20  -8.895   7.127  -0.566
  160   2HD2  LEU  20          1HD2      LEU  20  -9.146   5.860  -1.775
  161   3HD2  LEU  20          2HD2      LEU  20  -8.634   5.402  -0.146
  162    H    LEU  21           H        LEU  21  -5.434   5.616   2.211
  163    HA   LEU  21           HA       LEU  21  -7.636   3.965   2.887
  164   1HB   LEU  21          1HB       LEU  21  -4.832   4.318   3.912
  165   2HB   LEU  21          2HB       LEU  21  -5.889   3.181   4.731
  166    HG   LEU  21           HG       LEU  21  -5.529   3.114   1.715
  167   1HD1  LEU  21          3HD1      LEU  21  -3.307   3.009   2.646
  168   2HD1  LEU  21          1HD1      LEU  21  -3.784   1.675   3.722
  169   3HD1  LEU  21          2HD1      LEU  21  -3.775   1.449   1.948
  170   1HD2  LEU  21          1HD2      LEU  21  -6.264   0.932   3.717
  171   2HD2  LEU  21          2HD2      LEU  21  -7.391   1.757   2.621
  172   3HD2  LEU  21          3HD2      LEU  21  -6.121   0.723   1.962
  173    H    SER  22           H        SER  22  -6.087   6.569   4.863
  174    HA   SER  22           HA       SER  22  -7.963   6.397   6.994
  175   1HB   SER  22          1HB       SER  22  -5.994   8.440   5.971
  176   2HB   SER  22          2HB       SER  22  -7.182   8.921   7.191
  177    HG   SER  22           HG       SER  22  -6.546   7.327   8.509
  178    H    SER  23           H        SER  23  -8.200   8.243   3.891
  179    HA   SER  23           HA       SER  23 -10.634   9.585   4.510
  180   1HB   SER  23          1HB       SER  23  -9.242  10.161   2.588
  181   2HB   SER  23          2HB       SER  23  -9.502   8.577   1.864
  182    HG   SER  23           HG       SER  23 -11.015  10.811   1.801
  183    H    LYS  24           H        LYS  24  -9.957   6.236   3.584
  184    HA   LYS  24           HA       LYS  24 -12.838   5.538   3.430
  185   1HB   LYS  24          1HB       LYS  24 -10.233   4.176   2.743
  186   2HB   LYS  24          2HB       LYS  24 -11.708   3.229   2.970
  187   1HG   LYS  24          1HG       LYS  24 -11.241   3.794   0.621
  188   2HG   LYS  24          2HG       LYS  24 -12.830   4.305   1.198
  189   1HD   LYS  24          1HD       LYS  24 -12.055   6.648   1.346
  190   2HD   LYS  24          2HD       LYS  24 -10.443   6.139   0.850
  191   1HE   LYS  24          1HE       LYS  24 -11.690   7.179  -0.956
  192   2HE   LYS  24          2HE       LYS  24 -11.269   5.516  -1.319
  193   1HZ   LYS  24          3HZ       LYS  24 -13.931   6.193  -0.210
  194   2HZ   LYS  24          1HZ       LYS  24 -13.576   6.166  -1.852
  195   3HZ   LYS  24          2HZ       LYS  24 -13.396   4.812  -0.997
  196    H    GLY  25           H        GLY  25 -10.798   6.139   5.928
  197   1HA   GLY  25          1HA       GLY  25 -10.826   5.694   8.127
  198   2HA   GLY  25          2HA       GLY  25 -12.379   4.889   7.906
  199    H    VAL  26           H        VAL  26  -9.583   3.612   6.088
  200    HA   VAL  26           HA       VAL  26 -10.170   1.073   7.430
  201    HB   VAL  26           HB       VAL  26  -7.959   1.358   5.404
  202   1HG1  VAL  26          1HG1      VAL  26  -8.529  -0.842   6.419
  203   2HG1  VAL  26          2HG1      VAL  26 -10.170  -0.700   5.763
  204   3HG1  VAL  26          3HG1      VAL  26  -8.770  -0.829   4.672
  205   1HG2  VAL  26          3HG2      VAL  26 -10.905   1.462   4.640
  206   2HG2  VAL  26          1HG2      VAL  26  -9.641   2.650   4.260
  207   3HG2  VAL  26          2HG2      VAL  26  -9.588   1.058   3.521
  208    H    SER  27           H        SER  27  -8.722  -0.077   8.689
  209    HA   SER  27           HA       SER  27  -6.386   1.332   9.807
  210   1HB   SER  27          1HB       SER  27  -8.123   0.098  11.218
  211   2HB   SER  27          2HB       SER  27  -7.518  -1.410  10.504
  212    HG   SER  27           HG       SER  27  -6.632  -0.573  12.595
  213    H    PHE  28           H        PHE  28  -4.313   0.168   9.711
  214    HA   PHE  28           HA       PHE  28  -3.875  -1.759   7.503
  215   1HB   PHE  28          1HB       PHE  28  -2.395  -0.107   6.364
  216   2HB   PHE  28          2HB       PHE  28  -4.089   0.316   6.287
  217    HD1  PHE  28           HD1      PHE  28  -5.010   2.178   7.633
  218    HD2  PHE  28           HD2      PHE  28  -0.787   1.379   7.511
  219    HE1  PHE  28           HE1      PHE  28  -4.591   4.375   8.658
  220    HE2  PHE  28           HE2      PHE  28  -0.346   3.612   8.500
  221    HZ   PHE  28           HZ       PHE  28  -2.225   5.102   9.120
  222    H    GLN  29           H        GLN  29  -1.517  -2.089   7.211
  223    HA   GLN  29           HA       GLN  29   0.051  -1.746   9.683
  224   1HB   GLN  29          1HB       GLN  29  -0.692  -4.208   8.544
  225   2HB   GLN  29          2HB       GLN  29   0.859  -3.900   7.784
  226   1HG   GLN  29          1HG       GLN  29   1.238  -5.173   9.765
  227   2HG   GLN  29          2HG       GLN  29   1.835  -3.545  10.085
  228   1HE2  GLN  29          2HE2      GLN  29  -0.225  -3.388  12.990
  229   2HE2  GLN  29          1HE2      GLN  29   1.252  -2.882  12.189
  230    H    GLU  30           H        GLU  30   1.061   0.119   9.086
  231    HA   GLU  30           HA       GLU  30   2.049   0.447   6.328
  232   1HB   GLU  30          1HB       GLU  30   1.512   2.287   8.344
  233   2HB   GLU  30          2HB       GLU  30   3.272   2.114   8.414
  234   1HG   GLU  30          1HG       GLU  30   2.109   2.508   5.675
  235   2HG   GLU  30          2HG       GLU  30   1.958   3.850   6.781
  236    H    LEU  31           H        LEU  31   4.092  -0.124   5.735
  237    HA   LEU  31           HA       LEU  31   5.984  -1.167   7.793
  238   1HB   LEU  31          1HB       LEU  31   5.509  -2.228   4.985
  239   2HB   LEU  31          2HB       LEU  31   6.872  -2.642   6.002
  240    HG   LEU  31           HG       LEU  31   5.424  -4.397   6.091
  241   1HD1  LEU  31          2HD1      LEU  31   6.367  -3.685   8.325
  242   2HD1  LEU  31          3HD1      LEU  31   4.793  -2.979   8.708
  243   3HD1  LEU  31          1HD1      LEU  31   4.934  -4.724   8.429
  244   1HD2  LEU  31          1HD2      LEU  31   3.340  -3.218   5.339
  245   2HD2  LEU  31          2HD2      LEU  31   3.136  -4.517   6.535
  246   3HD2  LEU  31          3HD2      LEU  31   3.069  -2.830   7.053
  247    HA   PRO  32           HA       PRO  32   7.876   2.539   5.825
  248   1HB   PRO  32          1HB       PRO  32   9.196   2.166   8.528
  249   2HB   PRO  32          2HB       PRO  32   8.943   3.664   7.572
  250   1HG   PRO  32          1HG       PRO  32   7.186   3.072   9.519
  251   2HG   PRO  32          2HG       PRO  32   6.562   3.556   7.918
  252   1HD   PRO  32          1HD       PRO  32   6.890   0.745   9.028
  253   2HD   PRO  32          2HD       PRO  32   5.492   1.484   8.189
  254    H    ILE  33           H        ILE  33   9.158   1.819   4.286
  255    HA   ILE  33           HA       ILE  33  11.273  -0.106   4.884
  256    HB   ILE  33           HB       ILE  33  11.517   0.136   2.239
  257   1HG1  ILE  33          1HG1      ILE  33   8.528   0.396   2.666
  258   2HG1  ILE  33          2HG1      ILE  33   9.578   1.665   1.987
  259   1HG2  ILE  33          1HG2      ILE  33  11.339  -1.841   3.664
  260   2HG2  ILE  33          2HG2      ILE  33   9.587  -1.566   3.868
  261   3HG2  ILE  33          3HG2      ILE  33  10.259  -2.040   2.296
  262   1HD1  ILE  33          1HD1      ILE  33   9.367  -1.051   0.654
  263   2HD1  ILE  33          2HD1      ILE  33   8.220   0.253   0.383
  264   3HD1  ILE  33          3HD1      ILE  33   9.929   0.490  -0.004
  265    H    ASP  34           H        ASP  34  11.090   3.002   5.322
  266    HA   ASP  34           HA       ASP  34  13.624   3.839   4.213
  267   1HB   ASP  34          1HB       ASP  34  13.506   5.552   6.186
  268   2HB   ASP  34          2HB       ASP  34  12.369   5.694   4.864
  269    H    GLY  35           H        GLY  35  15.565   4.096   5.494
  270   1HA   GLY  35          1HA       GLY  35  17.166   3.532   7.025
  271   2HA   GLY  35          2HA       GLY  35  15.934   2.778   8.034
  272    H    ASN  36           H        ASN  36  15.061   0.816   5.988
  273    HA   ASN  36           HA       ASN  36  17.424  -1.033   6.137
  274   1HB   ASN  36          1HB       ASN  36  15.439  -2.787   5.956
  275   2HB   ASN  36          2HB       ASN  36  15.944  -2.108   7.482
  276   1HD2  ASN  36          2HD2      ASN  36  12.507  -0.469   5.924
  277   2HD2  ASN  36          1HD2      ASN  36  13.790  -1.029   4.873
  278    H    ALA  37           H        ALA  37  18.296  -0.842   4.058
  279    HA   ALA  37           HA       ALA  37  16.663  -0.734   1.693
  280   1HB   ALA  37          2HB       ALA  37  19.559  -1.602   2.031
  281   2HB   ALA  37          3HB       ALA  37  18.752  -1.273   0.481
  282   3HB   ALA  37          1HB       ALA  37  18.991   0.037   1.650
  283    H    ALA  38           H        ALA  38  17.690  -3.363   3.722
  284    HA   ALA  38           HA       ALA  38  17.357  -5.544   1.943
  285   1HB   ALA  38          3HB       ALA  38  16.930  -5.348   4.952
  286   2HB   ALA  38          1HB       ALA  38  16.994  -6.866   4.028
  287   3HB   ALA  38          2HB       ALA  38  18.415  -5.789   4.105
  288    H    LYS  39           H        LYS  39  14.876  -4.572   4.440
  289    HA   LYS  39           HA       LYS  39  12.783  -5.942   3.100
  290   1HB   LYS  39          1HB       LYS  39  12.749  -5.289   5.454
  291   2HB   LYS  39          2HB       LYS  39  12.717  -3.583   5.013
  292   1HG   LYS  39          1HG       LYS  39  10.436  -3.941   4.040
  293   2HG   LYS  39          2HG       LYS  39  10.534  -5.649   4.451
  294   1HD   LYS  39          1HD       LYS  39   9.197  -4.488   6.115
  295   2HD   LYS  39          2HD       LYS  39  10.701  -5.052   6.847
  296   1HE   LYS  39          1HE       LYS  39  11.488  -2.550   6.135
  297   2HE   LYS  39          2HE       LYS  39   9.754  -2.240   6.253
  298   1HZ   LYS  39          1HZ       LYS  39  11.451  -3.412   8.372
  299   2HZ   LYS  39          2HZ       LYS  39  10.967  -1.842   8.339
  300   3HZ   LYS  39          3HZ       LYS  39   9.867  -3.071   8.533
  301    H    ARG  40           H        ARG  40  14.158  -2.766   2.455
  302    HA   ARG  40           HA       ARG  40  11.917  -1.857   0.876
  303   1HB   ARG  40          1HB       ARG  40  13.866  -0.468   1.818
  304   2HB   ARG  40          2HB       ARG  40  14.803  -1.007   0.411
  305   1HG   ARG  40          1HG       ARG  40  13.361   0.122  -1.092
  306   2HG   ARG  40          2HG       ARG  40  12.045   0.171   0.078
  307   1HD   ARG  40          1HD       ARG  40  12.893   2.381  -0.186
  308   2HD   ARG  40          2HD       ARG  40  13.233   1.833   1.439
  309    HE   ARG  40           HE       ARG  40  15.107   2.175  -0.823
  310   1HH1  ARG  40          2HH2      ARG  40  14.807   1.671   2.746
  311   2HH1  ARG  40          1HH2      ARG  40  16.516   1.928   2.989
  312   1HH2  ARG  40          2HH1      ARG  40  17.244   2.214  -0.460
  313   2HH2  ARG  40          1HH1      ARG  40  17.960   2.343   1.121
  314    H    GLU  41           H        GLU  41  14.898  -3.664   0.048
  315    HA   GLU  41           HA       GLU  41  14.251  -3.937  -2.708
  316   1HB   GLU  41          1HB       GLU  41  16.490  -4.043  -1.606
  317   2HB   GLU  41          2HB       GLU  41  16.084  -5.619  -0.938
  318   1HG   GLU  41          1HG       GLU  41  15.736  -5.352  -3.901
  319   2HG   GLU  41          2HG       GLU  41  17.378  -5.087  -3.331
  320    H    GLU  42           H        GLU  42  13.410  -5.858   0.198
  321    HA   GLU  42           HA       GLU  42  12.225  -8.106  -1.088
  322   1HB   GLU  42          1HB       GLU  42  12.483  -8.094   1.308
  323   2HB   GLU  42          2HB       GLU  42  11.558  -6.611   1.461
  324   1HG   GLU  42          1HG       GLU  42   9.516  -7.832   0.614
  325   2HG   GLU  42          2HG       GLU  42  10.451  -9.323   0.760
  326    H    MET  43           H        MET  43  10.797  -4.897  -0.262
  327    HA   MET  43           HA       MET  43   8.203  -5.447  -1.155
  328   1HB   MET  43          1HB       MET  43   8.922  -3.421   0.123
  329   2HB   MET  43          2HB       MET  43   9.638  -2.771  -1.344
  330   1HG   MET  43          1HG       MET  43   7.006  -3.460  -2.124
  331   2HG   MET  43          2HG       MET  43   6.825  -2.859  -0.504
  332   1HE   MET  43          3HE       MET  43   8.031  -2.110  -4.171
  333   2HE   MET  43          1HE       MET  43   8.489  -0.399  -4.095
  334   3HE   MET  43          2HE       MET  43   9.500  -1.614  -3.299
  335    H    ILE  44           H        ILE  44  11.004  -4.320  -3.046
  336    HA   ILE  44           HA       ILE  44   9.724  -3.718  -5.523
  337    HB   ILE  44           HB       ILE  44  12.521  -4.702  -4.841
  338   1HG1  ILE  44          1HG1      ILE  44  11.350  -1.934  -5.345
  339   2HG1  ILE  44          2HG1      ILE  44  11.868  -2.557  -3.789
  340   1HG2  ILE  44          3HG2      ILE  44  11.847  -5.013  -7.315
  341   2HG2  ILE  44          1HG2      ILE  44  11.864  -3.239  -7.388
  342   3HG2  ILE  44          2HG2      ILE  44  13.324  -4.120  -6.944
  343   1HD1  ILE  44          1HD1      ILE  44  14.219  -2.725  -4.680
  344   2HD1  ILE  44          2HD1      ILE  44  13.654  -1.861  -6.130
  345   3HD1  ILE  44          3HD1      ILE  44  13.564  -1.079  -4.547
  346    H    LYS  45           H        LYS  45  11.221  -6.870  -4.460
  347    HA   LYS  45           HA       LYS  45  10.202  -8.261  -6.762
  348   1HB   LYS  45          1HB       LYS  45  12.114  -8.992  -5.277
  349   2HB   LYS  45          2HB       LYS  45  10.927  -9.433  -4.048
  350   1HG   LYS  45          1HG       LYS  45   9.896 -11.046  -5.726
  351   2HG   LYS  45          2HG       LYS  45  11.203 -10.614  -6.857
  352   1HD   LYS  45          1HD       LYS  45  12.843 -11.283  -5.075
  353   2HD   LYS  45          2HD       LYS  45  11.491 -11.840  -4.085
  354   1HE   LYS  45          1HE       LYS  45  10.910 -13.477  -5.899
  355   2HE   LYS  45          2HE       LYS  45  12.340 -12.934  -6.804
  356   1HZ   LYS  45          3HZ       LYS  45  13.673 -13.618  -4.845
  357   2HZ   LYS  45          1HZ       LYS  45  12.315 -14.214  -4.137
  358   3HZ   LYS  45          2HZ       LYS  45  12.867 -14.893  -5.525
  359    H    ARG  46           H        ARG  46   8.958  -7.931  -3.394
  360    HA   ARG  46           HA       ARG  46   6.785  -9.703  -3.686
  361   1HB   ARG  46          1HB       ARG  46   7.559  -7.589  -1.757
  362   2HB   ARG  46          2HB       ARG  46   5.820  -7.850  -1.866
  363   1HG   ARG  46          1HG       ARG  46   6.002 -10.175  -1.422
  364   2HG   ARG  46          2HG       ARG  46   7.772 -10.147  -1.564
  365   1HD   ARG  46          1HD       ARG  46   8.037  -9.627   0.584
  366   2HD   ARG  46          2HD       ARG  46   6.943  -8.239   0.455
  367    HE   ARG  46           HE       ARG  46   5.672 -10.885   0.631
  368   1HH1  ARG  46          2HH2      ARG  46   7.068  -8.282   2.619
  369   2HH1  ARG  46          1HH2      ARG  46   5.929  -8.449   3.897
  370   1HH2  ARG  46          2HH1      ARG  46   4.151 -11.130   2.389
  371   2HH2  ARG  46          1HH1      ARG  46   4.262 -10.085   3.762
  372    H    SER  47           H        SER  47   7.009  -6.305  -4.661
  373    HA   SER  47           HA       SER  47   4.170  -6.313  -5.475
  374   1HB   SER  47          1HB       SER  47   4.619  -3.933  -6.005
  375   2HB   SER  47          2HB       SER  47   4.966  -4.348  -4.321
  376    HG   SER  47           HG       SER  47   7.172  -4.380  -4.827
  377    H    GLY  48           H        GLY  48   7.357  -6.701  -6.971
  378   1HA   GLY  48          1HA       GLY  48   7.949  -7.083  -9.155
  379   2HA   GLY  48          2HA       GLY  48   6.240  -7.276  -9.603
  380    H    ARG  49           H        ARG  49   7.687  -4.526  -7.861
  381    HA   ARG  49           HA       ARG  49   7.354  -2.693 -10.130
  382   1HB   ARG  49          1HB       ARG  49   5.784  -2.631  -7.563
  383   2HB   ARG  49          2HB       ARG  49   6.363  -1.083  -8.160
  384   1HG   ARG  49          1HG       ARG  49   5.155  -1.128 -10.082
  385   2HG   ARG  49          2HG       ARG  49   5.035  -2.910 -10.141
  386   1HD   ARG  49          1HD       ARG  49   3.615  -2.750  -8.036
  387   2HD   ARG  49          2HD       ARG  49   3.477  -1.026  -8.358
  388    HE   ARG  49           HE       ARG  49   2.478  -3.269 -10.058
  389   1HH1  ARG  49          2HH2      ARG  49   2.508   0.280  -9.473
  390   2HH1  ARG  49          1HH2      ARG  49   1.155   0.497 -10.552
  391   1HH2  ARG  49          2HH1      ARG  49   0.526  -2.866 -11.250
  392   2HH2  ARG  49          1HH1      ARG  49  -0.192  -1.303 -11.088
  393    H    THR  50           H        THR  50   8.210  -0.359  -8.950
  394    HA   THR  50           HA       THR  50  10.939  -1.278  -8.133
  395    HB   THR  50           HB       THR  50   9.817   0.737 -10.035
  396    HG1  THR  50           HG1      THR  50  10.404  -1.179 -10.915
  397   1HG2  THR  50          1HG2      THR  50  12.617   0.690  -8.854
  398   2HG2  THR  50          2HG2      THR  50  12.207   1.563 -10.341
  399   3HG2  THR  50          3HG2      THR  50  11.468   2.043  -8.817
  400    H    THR  51           H        THR  51   8.310   1.168  -7.496
  401    HA   THR  51           HA       THR  51   9.802   1.841  -4.997
  402    HB   THR  51           HB       THR  51   9.097   4.294  -5.605
  403    HG1  THR  51           HG1      THR  51   9.862   4.042  -8.102
  404   1HG2  THR  51          2HG2      THR  51  11.415   3.512  -5.224
  405   2HG2  THR  51          3HG2      THR  51  11.535   3.025  -6.899
  406   3HG2  THR  51          1HG2      THR  51  11.312   4.740  -6.496
  407    H    VAL  52           H        VAL  52   8.484   3.429  -3.609
  408    HA   VAL  52           HA       VAL  52   6.066   1.928  -3.027
  409    HB   VAL  52           HB       VAL  52   6.259   2.740  -0.906
  410   1HG1  VAL  52          3HG1      VAL  52   8.323   1.506  -1.531
  411   2HG1  VAL  52          1HG1      VAL  52   9.168   3.054  -1.629
  412   3HG1  VAL  52          2HG1      VAL  52   8.442   2.561  -0.103
  413   1HG2  VAL  52          1HG2      VAL  52   7.738   5.196  -1.868
  414   2HG2  VAL  52          2HG2      VAL  52   6.104   5.119  -1.164
  415   3HG2  VAL  52          3HG2      VAL  52   7.514   4.758  -0.164
  416    HA   PRO  53           HA       PRO  53   4.255   2.806  -1.226
  417   1HB   PRO  53          1HB       PRO  53   1.582   3.011  -1.306
  418   2HB   PRO  53          2HB       PRO  53   2.592   4.377  -0.746
  419   1HG   PRO  53          1HG       PRO  53   1.375   3.977  -3.482
  420   2HG   PRO  53          2HG       PRO  53   1.375   5.460  -2.466
  421   1HD   PRO  53          1HD       PRO  53   3.170   5.006  -4.478
  422   2HD   PRO  53          2HD       PRO  53   3.565   5.982  -3.031
  423    H    GLN  54           H        GLN  54   3.291   0.665  -1.145
  424    HA   GLN  54           HA       GLN  54   2.082  -0.430  -3.591
  425   1HB   GLN  54          1HB       GLN  54   4.383  -1.730  -2.040
  426   2HB   GLN  54          2HB       GLN  54   3.391  -2.550  -3.241
  427   1HG   GLN  54          1HG       GLN  54   5.245  -0.185  -3.768
  428   2HG   GLN  54          2HG       GLN  54   5.569  -1.866  -4.161
  429   1HE2  GLN  54          2HE2      GLN  54   4.057   0.230  -7.076
  430   2HE2  GLN  54          1HE2      GLN  54   5.317   0.586  -5.919
  431    H    ILE  55           H        ILE  55   0.181  -1.714  -2.875
  432    HA   ILE  55           HA       ILE  55  -0.059  -1.872   0.057
  433    HB   ILE  55           HB       ILE  55  -2.133  -1.144  -2.060
  434   1HG1  ILE  55          1HG1      ILE  55  -2.091   0.949  -0.283
  435   2HG1  ILE  55          2HG1      ILE  55  -0.418   0.468  -0.183
  436   1HG2  ILE  55          3HG2      ILE  55  -3.113  -2.462  -0.184
  437   2HG2  ILE  55          1HG2      ILE  55  -2.438  -1.299   0.973
  438   3HG2  ILE  55          2HG2      ILE  55  -3.679  -0.801  -0.184
  439   1HD1  ILE  55          1HD1      ILE  55  -1.890   1.236  -2.740
  440   2HD1  ILE  55          2HD1      ILE  55  -0.790   2.272  -1.821
  441   3HD1  ILE  55          3HD1      ILE  55  -0.169   0.833  -2.642
  442    H    PHE  56           H        PHE  56  -1.119  -3.753   0.766
  443    HA   PHE  56           HA       PHE  56  -1.638  -5.883  -1.182
  444   1HB   PHE  56          1HB       PHE  56   0.094  -6.248   1.298
  445   2HB   PHE  56          2HB       PHE  56  -0.411  -7.498   0.198
  446    HD1  PHE  56           HD1      PHE  56   1.628  -4.293   0.275
  447    HD2  PHE  56           HD2      PHE  56   1.075  -8.199  -1.455
  448    HE1  PHE  56           HE1      PHE  56   3.695  -3.993  -1.050
  449    HE2  PHE  56           HE2      PHE  56   3.188  -7.939  -2.702
  450    HZ   PHE  56           HZ       PHE  56   4.482  -5.839  -2.575
  451    H    ILE  57           H        ILE  57  -3.547  -7.018  -0.464
  452    HA   ILE  57           HA       ILE  57  -4.390  -6.542   2.342
  453    HB   ILE  57           HB       ILE  57  -6.283  -6.204  -0.012
  454   1HG1  ILE  57          1HG1      ILE  57  -5.167  -4.110   1.921
  455   2HG1  ILE  57          2HG1      ILE  57  -4.741  -4.249   0.225
  456   1HG2  ILE  57          1HG2      ILE  57  -6.641  -5.969   3.025
  457   2HG2  ILE  57          2HG2      ILE  57  -7.888  -5.563   1.831
  458   3HG2  ILE  57          3HG2      ILE  57  -7.331  -7.217   1.980
  459   1HD1  ILE  57          2HD1      ILE  57  -7.125  -3.805  -0.400
  460   2HD1  ILE  57          3HD1      ILE  57  -7.444  -3.442   1.317
  461   3HD1  ILE  57          1HD1      ILE  57  -6.283  -2.467   0.410
  462    H    ASP  58           H        ASP  58  -4.925  -8.409   3.286
  463    HA   ASP  58           HA       ASP  58  -4.903 -10.660   3.588
  464   1HB   ASP  58          1HB       ASP  58  -7.100 -10.175   1.607
  465   2HB   ASP  58          2HB       ASP  58  -6.784 -11.800   2.229
  466    H    ALA  59           H        ALA  59  -2.974  -9.688   1.723
  467    HA   ALA  59           HA       ALA  59  -0.994 -10.681   1.099
  468   1HB   ALA  59          3HB       ALA  59  -1.740 -13.011   1.616
  469   2HB   ALA  59          1HB       ALA  59  -2.463 -13.081  -0.015
  470   3HB   ALA  59          2HB       ALA  59  -0.720 -12.860   0.173
  471    H    GLN  60           H        GLN  60  -3.851 -10.063  -0.711
  472    HA   GLN  60           HA       GLN  60  -2.704 -10.348  -3.357
  473   1HB   GLN  60          1HB       GLN  60  -5.277  -9.061  -2.350
  474   2HB   GLN  60          2HB       GLN  60  -4.771  -9.020  -4.034
  475   1HG   GLN  60          1HG       GLN  60  -6.347 -10.848  -3.597
  476   2HG   GLN  60          2HG       GLN  60  -4.801 -11.421  -4.223
  477   1HE2  GLN  60          2HE2      GLN  60  -5.632 -12.151  -0.225
  478   2HE2  GLN  60          1HE2      GLN  60  -6.404 -10.787  -1.006
  479    H    HIS  61           H        HIS  61  -1.070  -9.129  -3.844
  480    HA   HIS  61           HA       HIS  61  -0.597  -6.409  -3.032
  481   1HB   HIS  61          1HB       HIS  61   1.153  -7.891  -3.964
  482   2HB   HIS  61          2HB       HIS  61   0.250  -8.039  -5.462
  483    HD1  HIS  61           HD1      HIS  61   1.543  -6.829  -7.192
  484    HD2  HIS  61           HD2      HIS  61   1.262  -4.767  -3.509
  485    HE1  HIS  61           HE1      HIS  61   2.473  -4.458  -7.588
  486    HE2  HIS  61           HE2      HIS  61   2.262  -3.165  -5.397
  487    H    ILE  62           H        ILE  62  -1.634  -4.598  -3.731
  488    HA   ILE  62           HA       ILE  62  -3.811  -4.826  -5.670
  489    HB   ILE  62           HB       ILE  62  -2.802  -2.287  -4.327
  490   1HG1  ILE  62          1HG1      ILE  62  -3.011  -3.724  -2.487
  491   2HG1  ILE  62          2HG1      ILE  62  -4.377  -2.660  -2.474
  492   1HG2  ILE  62          2HG2      ILE  62  -5.515  -3.176  -5.361
  493   2HG2  ILE  62          3HG2      ILE  62  -5.220  -1.663  -4.493
  494   3HG2  ILE  62          1HG2      ILE  62  -4.466  -1.939  -6.071
  495   1HD1  ILE  62          2HD1      ILE  62  -4.598  -5.509  -3.531
  496   2HD1  ILE  62          3HD1      ILE  62  -5.035  -4.994  -1.901
  497   3HD1  ILE  62          1HD1      ILE  62  -5.914  -4.347  -3.293
  498    H    GLY  63           H        GLY  63  -0.806  -2.904  -5.321
  499   1HA   GLY  63          1HA       GLY  63   0.510  -2.747  -7.578
  500   2HA   GLY  63          2HA       GLY  63  -1.004  -1.978  -8.089
  501    H    GLY  64           H        GLY  64  -0.128   0.050  -8.268
  502   1HA   GLY  64          1HA       GLY  64   1.285   1.404  -6.101
  503   2HA   GLY  64          2HA       GLY  64   0.841   2.054  -7.686
  504    H    TYR  65           H        TYR  65   0.062   3.962  -6.784
  505    HA   TYR  65           HA       TYR  65  -1.919   3.853  -4.619
  506   1HB   TYR  65          1HB       TYR  65  -0.093   5.515  -4.460
  507   2HB   TYR  65          2HB       TYR  65  -0.524   6.162  -6.043
  508    HD1  TYR  65           HD2      TYR  65  -2.846   5.140  -3.253
  509    HD2  TYR  65           HD1      TYR  65  -1.168   8.417  -5.531
  510    HE1  TYR  65           HE2      TYR  65  -4.482   6.606  -2.325
  511    HE2  TYR  65           HE1      TYR  65  -2.848   9.927  -4.508
  512    HH   TYR  65           HH       TYR  65  -5.074   9.847  -3.534
  513    H    ASP  66           H        ASP  66  -1.776   5.022  -8.031
  514    HA   ASP  66           HA       ASP  66  -4.546   5.934  -8.046
  515   1HB   ASP  66          1HB       ASP  66  -2.764   4.963 -10.324
  516   2HB   ASP  66          2HB       ASP  66  -4.362   5.684 -10.483
  517    H    ASP  67           H        ASP  67  -2.815   2.954  -8.405
  518    HA   ASP  67           HA       ASP  67  -4.872   1.310  -9.494
  519   1HB   ASP  67          1HB       ASP  67  -2.598   0.500  -7.654
  520   2HB   ASP  67          2HB       ASP  67  -3.646  -0.595  -8.526
  521    H    LEU  68           H        LEU  68  -3.790   1.804  -6.052
  522    HA   LEU  68           HA       LEU  68  -5.956   0.358  -4.946
  523   1HB   LEU  68          1HB       LEU  68  -3.916   0.998  -3.668
  524   2HB   LEU  68          2HB       LEU  68  -4.440   2.689  -3.696
  525    HG   LEU  68           HG       LEU  68  -6.588   1.952  -2.507
  526   1HD1  LEU  68          2HD1      LEU  68  -4.993  -0.628  -2.340
  527   2HD1  LEU  68          3HD1      LEU  68  -6.307  -0.263  -1.231
  528   3HD1  LEU  68          1HD1      LEU  68  -6.654  -0.426  -2.959
  529   1HD2  LEU  68          2HD2      LEU  68  -4.674   2.954  -1.269
  530   2HD2  LEU  68          3HD2      LEU  68  -5.678   1.839  -0.328
  531   3HD2  LEU  68          1HD2      LEU  68  -4.102   1.308  -0.941
  532    H    TYR  69           H        TYR  69  -5.683   3.830  -5.555
  533    HA   TYR  69           HA       TYR  69  -8.139   4.772  -4.482
  534   1HB   TYR  69          1HB       TYR  69  -6.155   6.087  -5.379
  535   2HB   TYR  69          2HB       TYR  69  -6.638   5.678  -7.004
  536    HD1  TYR  69           HD1      TYR  69  -8.905   6.544  -7.904
  537    HD2  TYR  69           HD2      TYR  69  -7.038   7.991  -4.288
  538    HE1  TYR  69           HE1      TYR  69 -10.298   8.587  -7.999
  539    HE2  TYR  69           HE2      TYR  69  -8.428  10.034  -4.383
  540    HH   TYR  69           HH       TYR  69 -10.704  10.731  -7.035
  541    H    ALA  70           H        ALA  70  -7.445   3.499  -7.791
  542    HA   ALA  70           HA       ALA  70 -10.230   3.721  -8.643
  543   1HB   ALA  70          2HB       ALA  70  -8.424   3.653 -10.294
  544   2HB   ALA  70          3HB       ALA  70  -7.966   2.011  -9.753
  545   3HB   ALA  70          1HB       ALA  70  -9.538   2.289 -10.529
  546    H    LEU  71           H        LEU  71  -8.226   1.122  -7.206
  547    HA   LEU  71           HA       LEU  71 -10.177  -0.922  -7.429
  548   1HB   LEU  71          1HB       LEU  71  -7.589  -0.957  -6.886
  549   2HB   LEU  71          2HB       LEU  71  -8.134  -0.948  -5.229
  550    HG   LEU  71           HG       LEU  71  -7.582  -3.149  -6.156
  551   1HD1  LEU  71          3HD1      LEU  71  -9.187  -3.098  -4.385
  552   2HD1  LEU  71          1HD1      LEU  71 -10.489  -3.056  -5.615
  553   3HD1  LEU  71          2HD1      LEU  71  -9.427  -4.473  -5.479
  554   1HD2  LEU  71          2HD2      LEU  71  -8.304  -2.670  -8.525
  555   2HD2  LEU  71          3HD2      LEU  71  -8.731  -4.269  -7.894
  556   3HD2  LEU  71          1HD2      LEU  71  -9.969  -3.007  -8.020
  557    H    ASP  72           H        ASP  72  -9.654   1.628  -4.966
  558    HA   ASP  72           HA       ASP  72 -11.730   0.821  -3.173
  559   1HB   ASP  72          1HB       ASP  72 -10.124   2.439  -2.453
  560   2HB   ASP  72          2HB       ASP  72 -10.295   3.393  -3.868
  561    H    ALA  73           H        ALA  73 -11.675   3.269  -5.816
  562    HA   ALA  73           HA       ALA  73 -14.344   3.955  -5.486
  563   1HB   ALA  73          3HB       ALA  73 -12.620   5.352  -6.585
  564   2HB   ALA  73          1HB       ALA  73 -12.644   4.264  -7.993
  565   3HB   ALA  73          2HB       ALA  73 -14.088   5.218  -7.572
  566    H    ARG  74           H        ARG  74 -13.073   1.381  -7.446
  567    HA   ARG  74           HA       ARG  74 -15.604   0.742  -8.747
  568   1HB   ARG  74          1HB       ARG  74 -14.412  -1.039  -9.720
  569   2HB   ARG  74          2HB       ARG  74 -13.286   0.298  -9.629
  570   1HG   ARG  74          1HG       ARG  74 -11.837  -1.081  -8.624
  571   2HG   ARG  74          2HG       ARG  74 -12.851  -1.044  -7.214
  572   1HD   ARG  74          1HD       ARG  74 -12.532  -3.326  -7.635
  573   2HD   ARG  74          2HD       ARG  74 -14.161  -2.989  -8.246
  574    HE   ARG  74           HE       ARG  74 -11.897  -2.791 -10.135
  575   1HH1  ARG  74          2HH2      ARG  74 -14.436  -4.910  -8.839
  576   2HH1  ARG  74          1HH2      ARG  74 -14.387  -6.031 -10.158
  577   1HH2  ARG  74          2HH1      ARG  74 -11.837  -4.226 -11.916
  578   2HH2  ARG  74          1HH1      ARG  74 -12.684  -5.737 -11.832
  579    H    GLY  75           H        GLY  75 -14.342   0.212  -5.605
  580   1HA   GLY  75          1HA       GLY  75 -15.268  -0.811  -3.792
  581   2HA   GLY  75          2HA       GLY  75 -16.584  -1.419  -4.804
  582    H    GLY  76           H        GLY  76 -12.942  -1.993  -5.093
  583   1HA   GLY  76          1HA       GLY  76 -13.508  -4.881  -4.552
  584   2HA   GLY  76          2HA       GLY  76 -12.226  -4.294  -5.587
  585    H    LEU  77           H        LEU  77 -11.625  -1.987  -3.609
  586    HA   LEU  77           HA       LEU  77  -9.822  -3.410  -1.842
  587   1HB   LEU  77          1HB       LEU  77  -9.453  -1.074  -2.669
  588   2HB   LEU  77          2HB       LEU  77 -10.824  -0.511  -1.743
  589    HG   LEU  77           HG       LEU  77  -8.151  -1.403  -0.710
  590   1HD1  LEU  77          2HD1      LEU  77  -8.544   0.925  -1.604
  591   2HD1  LEU  77          3HD1      LEU  77  -9.785   1.158  -0.360
  592   3HD1  LEU  77          1HD1      LEU  77  -8.091   0.909   0.111
  593   1HD2  LEU  77          2HD2      LEU  77 -10.600  -0.825   1.010
  594   2HD2  LEU  77          3HD2      LEU  77  -9.529  -2.251   1.065
  595   3HD2  LEU  77          1HD2      LEU  77  -8.928  -0.701   1.594
  596    H    ASP  78           H        ASP  78 -12.898  -1.696  -1.517
  597    HA   ASP  78           HA       ASP  78 -13.196  -1.889   1.232
  598   1HB   ASP  78          1HB       ASP  78 -14.462  -0.500  -0.480
  599   2HB   ASP  78          2HB       ASP  78 -15.507  -1.886  -0.753
  600    HA   PRO  79           HA       PRO  79 -15.297  -6.134   1.002
  601   1HB   PRO  79          1HB       PRO  79 -15.206  -7.705  -1.218
  602   2HB   PRO  79          2HB       PRO  79 -16.512  -6.540  -0.862
  603   1HG   PRO  79          1HG       PRO  79 -14.072  -6.122  -2.612
  604   2HG   PRO  79          2HG       PRO  79 -15.787  -5.783  -3.013
  605   1HD   PRO  79          1HD       PRO  79 -14.167  -3.804  -2.126
  606   2HD   PRO  79          2HD       PRO  79 -15.859  -3.909  -1.573
  607    H    LEU  80           H        LEU  80 -12.191  -5.556  -0.715
  608    HA   LEU  80           HA       LEU  80 -11.076  -8.160  -0.079
  609   1HB   LEU  80          1HB       LEU  80 -10.008  -5.569  -1.115
  610   2HB   LEU  80          2HB       LEU  80  -8.888  -6.474  -0.143
  611    HG   LEU  80           HG       LEU  80 -10.343  -7.744  -2.477
  612   1HD1  LEU  80          2HD1      LEU  80  -7.566  -6.463  -2.393
  613   2HD1  LEU  80          3HD1      LEU  80  -8.234  -7.397  -3.749
  614   3HD1  LEU  80          1HD1      LEU  80  -8.978  -5.858  -3.290
  615   1HD2  LEU  80          1HD2      LEU  80  -7.825  -8.524  -0.908
  616   2HD2  LEU  80          2HD2      LEU  80  -9.389  -9.351  -0.824
  617   3HD2  LEU  80          3HD2      LEU  80  -8.458  -9.386  -2.325
  618    H    LEU  81           H        LEU  81 -11.497  -5.137   1.678
  619    HA   LEU  81           HA       LEU  81  -9.696  -5.508   3.738
  620   1HB   LEU  81          1HB       LEU  81 -11.221  -3.544   3.318
  621   2HB   LEU  81          2HB       LEU  81 -12.534  -4.426   4.080
  622    HG   LEU  81           HG       LEU  81 -11.333  -2.668   5.427
  623   1HD1  LEU  81          3HD1      LEU  81 -12.717  -4.396   6.526
  624   2HD1  LEU  81          1HD1      LEU  81 -11.261  -5.367   6.821
  625   3HD1  LEU  81          2HD1      LEU  81 -11.423  -3.763   7.547
  626   1HD2  LEU  81          2HD2      LEU  81  -9.043  -3.300   4.707
  627   2HD2  LEU  81          3HD2      LEU  81  -9.202  -3.146   6.472
  628   3HD2  LEU  81          1HD2      LEU  81  -9.136  -4.750   5.739
  629    H    LYS  82           H        LYS  82 -12.840  -7.009   3.341
  630    HA   LYS  82           HA       LYS  82 -13.907  -8.740   4.422
  631   1HB   LYS  82          1HB       LYS  82 -12.182  -9.374   2.612
  632   2HB   LYS  82          2HB       LYS  82 -11.176  -9.987   3.882
  633   1HG   LYS  82          1HG       LYS  82 -14.058 -10.934   3.402
  634   2HG   LYS  82          2HG       LYS  82 -12.671 -11.566   2.521
  635   1HD   LYS  82          1HD       LYS  82 -12.782 -13.150   4.108
  636   2HD   LYS  82          2HD       LYS  82 -11.650 -12.033   4.877
  637   1HE   LYS  82          1HE       LYS  82 -13.794 -11.018   5.996
  638   2HE   LYS  82          2HE       LYS  82 -14.599 -12.498   5.450
  639   1HZ   LYS  82          1HZ       LYS  82 -12.790 -13.710   6.641
  640   2HZ   LYS  82          2HZ       LYS  82 -12.286 -12.271   7.268
  641   3HZ   LYS  82          3HZ       LYS  82 -13.784 -12.857   7.621
  642   1HB2  GTT  83          1HB2      GTT  83  10.184   7.495  -1.949
  643   2HB2  GTT  83          2HB2      GTT  83  11.341   8.442  -2.867
  644    HA2  GTT  83           HA2      GTT  83  11.194   7.147  -4.719
  645    HN2  GTT  83           HN2      GTT  83   8.393   6.273  -4.222
  646   1HG1  GTT  83          1HG1      GTT  83   6.779   7.323  -6.177
  647   2HG1  GTT  83          2HG1      GTT  83   7.401   5.702  -6.339
  648   1HB1  GTT  83          1HB1      GTT  83   8.574   6.612  -8.531
  649   2HB1  GTT  83          2HB1      GTT  83   7.467   7.970  -8.337
  650    HA1  GTT  83           HA1      GTT  83   5.652   5.984  -8.124
  651   1HN1  GTT  83          1HN1      GTT  83   7.576   4.947 -10.033
  652   2HN1  GTT  83          2HN1      GTT  83   7.473   4.279  -8.514
  653   3HN1  GTT  83          3HN1      GTT  83   6.184   4.253  -9.594
  654    HN3  GTT  83           HN3      GTT  83  12.722   5.980  -3.078
  655   1HA3  GTT  83          1HA3      GTT  83  11.893   3.818  -1.474
  656   2HA3  GTT  83          2HA3      GTT  83  12.133   3.203  -3.113
   
  No H/Q in entry =         656
  Start of MODEL   12
    1   1H    ALA   1          3H        ALA   1  -7.391  -7.251   8.982
    2   2H    ALA   1          1H        ALA   1  -8.697  -8.147   8.515
    3   3H    ALA   1          2H        ALA   1  -7.162  -8.798   8.510
    4    HA   ALA   1           HA       ALA   1  -7.727  -8.335   6.296
    5   1HB   ALA   1          3HB       ALA   1  -9.459  -6.664   6.874
    6   2HB   ALA   1          1HB       ALA   1  -8.177  -5.476   7.202
    7   3HB   ALA   1          2HB       ALA   1  -8.391  -6.162   5.565
    8    H    ASN   2           H        ASN   2  -5.779  -8.372   5.232
    9    HA   ASN   2           HA       ASN   2  -3.438  -7.393   6.767
   10   1HB   ASN   2          1HB       ASN   2  -3.834  -9.800   6.198
   11   2HB   ASN   2          2HB       ASN   2  -3.803  -9.401   4.505
   12   1HD2  ASN   2          2HD2      ASN   2  -0.121  -8.877   4.562
   13   2HD2  ASN   2          1HD2      ASN   2  -1.544  -8.005   4.012
   14    H    VAL   3           H        VAL   3  -4.495  -5.321   5.900
   15    HA   VAL   3           HA       VAL   3  -4.152  -4.595   3.098
   16    HB   VAL   3           HB       VAL   3  -5.333  -3.215   5.551
   17   1HG1  VAL   3          3HG1      VAL   3  -5.416  -2.320   2.639
   18   2HG1  VAL   3          1HG1      VAL   3  -6.582  -1.772   3.864
   19   3HG1  VAL   3          2HG1      VAL   3  -4.889  -1.400   4.073
   20   1HG2  VAL   3          3HG2      VAL   3  -6.542  -5.294   4.656
   21   2HG2  VAL   3          1HG2      VAL   3  -7.484  -3.811   4.767
   22   3HG2  VAL   3          2HG2      VAL   3  -6.882  -4.358   3.199
   23    H    GLU   4           H        GLU   4  -1.746  -4.770   3.107
   24    HA   GLU   4           HA       GLU   4  -0.379  -3.037   5.086
   25   1HB   GLU   4          1HB       GLU   4   0.880  -5.162   3.325
   26   2HB   GLU   4          2HB       GLU   4   1.626  -4.241   4.627
   27   1HG   GLU   4          1HG       GLU   4   0.096  -5.254   6.273
   28   2HG   GLU   4          2HG       GLU   4  -0.691  -6.173   5.003
   29    H    ILE   5           H        ILE   5   1.013  -1.372   4.409
   30    HA   ILE   5           HA       ILE   5   1.160  -0.784   1.507
   31    HB   ILE   5           HB       ILE   5  -0.655   0.518   2.155
   32   1HG1  ILE   5          1HG1      ILE   5   1.727   2.388   2.203
   33   2HG1  ILE   5          2HG1      ILE   5   1.154   1.578   0.773
   34   1HG2  ILE   5          3HG2      ILE   5  -0.368   0.482   4.647
   35   2HG2  ILE   5          1HG2      ILE   5   0.880   1.739   4.486
   36   3HG2  ILE   5          2HG2      ILE   5  -0.810   2.054   4.012
   37   1HD1  ILE   5          3HD1      ILE   5  -1.089   2.726   1.106
   38   2HD1  ILE   5          1HD1      ILE   5  -0.336   3.663   2.417
   39   3HD1  ILE   5          2HD1      ILE   5   0.275   3.811   0.762
   40    H    TYR   6           H        TYR   6   3.176  -0.796   0.972
   41    HA   TYR   6           HA       TYR   6   5.344  -0.299   2.847
   42   1HB   TYR   6          1HB       TYR   6   5.160  -0.947  -0.083
   43   2HB   TYR   6          2HB       TYR   6   6.646  -0.272   0.568
   44    HD1  TYR   6           HD1      TYR   6   7.699  -1.290   2.607
   45    HD2  TYR   6           HD2      TYR   6   4.683  -3.324   0.317
   46    HE1  TYR   6           HE1      TYR   6   8.472  -3.428   3.548
   47    HE2  TYR   6           HE2      TYR   6   5.418  -5.486   1.259
   48    HH   TYR   6           HH       TYR   6   6.924  -6.582   2.663
   49    H    THR   7           H        THR   7   6.463   1.524   3.180
   50    HA   THR   7           HA       THR   7   5.898   3.938   1.585
   51    HB   THR   7           HB       THR   7   5.336   5.133   3.676
   52    HG1  THR   7           HG1      THR   7   5.552   2.537   4.762
   53   1HG2  THR   7          3HG2      THR   7   3.443   4.108   2.304
   54   2HG2  THR   7          1HG2      THR   7   3.418   2.806   3.512
   55   3HG2  THR   7          2HG2      THR   7   3.089   4.466   4.007
   56    H    LYS   8           H        LYS   8   7.366   5.719   2.250
   57    HA   LYS   8           HA       LYS   8   9.506   5.001   4.105
   58   1HB   LYS   8          1HB       LYS   8  11.149   6.215   2.772
   59   2HB   LYS   8          2HB       LYS   8  10.584   4.796   1.899
   60   1HG   LYS   8          1HG       LYS   8   9.446   6.109   0.296
   61   2HG   LYS   8          2HG       LYS   8   9.319   7.503   1.356
   62   1HD   LYS   8          1HD       LYS   8  10.881   7.988  -0.380
   63   2HD   LYS   8          2HD       LYS   8  11.705   7.937   1.182
   64   1HE   LYS   8          1HE       LYS   8  12.486   5.585   0.569
   65   2HE   LYS   8          2HE       LYS   8  11.768   5.847  -1.040
   66   1HZ   LYS   8          3HZ       LYS   8  13.197   7.903  -1.094
   67   2HZ   LYS   8          1HZ       LYS   8  13.995   7.312   0.204
   68   3HZ   LYS   8          2HZ       LYS   8  13.996   6.490  -1.245
   69    H    GLU   9           H        GLU   9  10.357   7.107   4.996
   70    HA   GLU   9           HA       GLU   9   8.460   8.925   5.849
   71   1HB   GLU   9          1HB       GLU   9  10.602   8.628   6.918
   72   2HB   GLU   9          2HB       GLU   9  11.469   9.196   5.483
   73   1HG   GLU   9          1HG       GLU   9  10.496  11.469   5.787
   74   2HG   GLU   9          2HG       GLU   9   9.618  10.902   7.201
   75    H    THR  10           H        THR  10  10.981   9.762   3.390
   76    HA   THR  10           HA       THR  10   9.530  12.171   2.667
   77    HB   THR  10           HB       THR  10  11.563  12.534   1.253
   78    HG1  THR  10           HG1      THR  10  11.998  10.329   0.929
   79   1HG2  THR  10          2HG2      THR  10  11.477  13.246   3.675
   80   2HG2  THR  10          3HG2      THR  10  12.264  11.722   4.114
   81   3HG2  THR  10          1HG2      THR  10  13.108  12.895   3.088
   82    H    CYS  11           H        CYS  11   7.588  11.174   1.773
   83    HA   CYS  11           HA       CYS  11   7.929  11.008  -1.088
   84   1HB   CYS  11          1HB       CYS  11   8.295   8.649  -0.503
   85   2HB   CYS  11          2HB       CYS  11   6.768   8.608   0.370
   86    HA   PRO  12           HA       PRO  12   4.059  13.079   0.098
   87   1HB   PRO  12          1HB       PRO  12   3.394  14.198  -2.238
   88   2HB   PRO  12          2HB       PRO  12   4.664  14.879  -1.171
   89   1HG   PRO  12          1HG       PRO  12   5.055  13.149  -3.630
   90   2HG   PRO  12          2HG       PRO  12   5.934  14.641  -3.164
   91   1HD   PRO  12          1HD       PRO  12   6.959  12.185  -2.637
   92   2HD   PRO  12          2HD       PRO  12   7.122  13.528  -1.465
   93    H    TYR  13           H        TYR  13   4.186  11.433  -3.116
   94    HA   TYR  13           HA       TYR  13   1.544  10.699  -3.448
   95   1HB   TYR  13          1HB       TYR  13   3.568  10.459  -5.001
   96   2HB   TYR  13          2HB       TYR  13   4.103   9.105  -4.047
   97    HD1  TYR  13           HD2      TYR  13   1.030  10.238  -5.942
   98    HD2  TYR  13           HD1      TYR  13   3.736   7.013  -5.000
   99    HE1  TYR  13           HE2      TYR  13  -0.168   8.781  -7.517
  100    HE2  TYR  13           HE1      TYR  13   2.518   5.541  -6.596
  101    HH   TYR  13           HH       TYR  13  -0.083   6.656  -8.692
  102    H    SER  14           H        SER  14   3.927   9.190  -1.345
  103    HA   SER  14           HA       SER  14   2.319   6.912  -0.523
  104   1HB   SER  14          1HB       SER  14   4.776   7.067  -0.433
  105   2HB   SER  14          2HB       SER  14   4.664   8.323   0.825
  106    HG   SER  14           HG       SER  14   4.041   6.813   2.256
  107    H    HIS  15           H        HIS  15   2.843  10.298   0.822
  108    HA   HIS  15           HA       HIS  15   1.245   9.482   3.160
  109   1HB   HIS  15          1HB       HIS  15   2.678  12.016   2.415
  110   2HB   HIS  15          2HB       HIS  15   1.452  11.987   3.676
  111    HD1  HIS  15           HD1      HIS  15   1.889  10.399   5.861
  112    HD2  HIS  15           HD2      HIS  15   5.110  10.928   3.140
  113    HE1  HIS  15           HE1      HIS  15   4.053   9.639   7.045
  114    HE2  HIS  15           HE2      HIS  15   5.972  10.050   5.466
  115    H    ARG  16           H        ARG  16   0.671  11.130   0.078
  116    HA   ARG  16           HA       ARG  16  -1.997  11.990   0.495
  117   1HB   ARG  16          1HB       ARG  16  -0.211  11.314  -1.778
  118   2HB   ARG  16          2HB       ARG  16  -1.880  10.936  -2.115
  119   1HG   ARG  16          1HG       ARG  16  -2.555  13.234  -1.510
  120   2HG   ARG  16          2HG       ARG  16  -0.854  13.636  -1.168
  121   1HD   ARG  16          1HD       ARG  16  -0.316  13.048  -3.551
  122   2HD   ARG  16          2HD       ARG  16  -2.035  12.757  -3.844
  123    HE   ARG  16           HE       ARG  16  -1.775  15.326  -2.696
  124   1HH1  ARG  16          2HH2      ARG  16  -1.110  13.699  -5.789
  125   2HH1  ARG  16          1HH2      ARG  16  -0.910  15.186  -6.655
  126   1HH2  ARG  16          2HH1      ARG  16  -1.704  17.209  -3.861
  127   2HH2  ARG  16          1HH1      ARG  16  -1.350  17.263  -5.566
  128    H    ALA  17           H        ALA  17  -0.770   8.672  -0.231
  129    HA   ALA  17           HA       ALA  17  -3.289   7.492  -0.558
  130   1HB   ALA  17          3HB       ALA  17  -1.034   6.395  -0.976
  131   2HB   ALA  17          1HB       ALA  17  -0.900   6.162   0.784
  132   3HB   ALA  17          2HB       ALA  17  -2.207   5.373  -0.108
  133    H    LYS  18           H        LYS  18  -1.885   8.636   2.396
  134    HA   LYS  18           HA       LYS  18  -3.604   6.979   4.126
  135   1HB   LYS  18          1HB       LYS  18  -1.805   9.371   4.721
  136   2HB   LYS  18          2HB       LYS  18  -2.829   8.579   5.910
  137   1HG   LYS  18          1HG       LYS  18  -0.573   7.777   6.043
  138   2HG   LYS  18          2HG       LYS  18  -1.702   6.476   5.627
  139   1HD   LYS  18          1HD       LYS  18  -0.847   6.276   3.418
  140   2HD   LYS  18          2HD       LYS  18  -0.152   7.896   3.468
  141   1HE   LYS  18          1HE       LYS  18   1.548   6.059   3.598
  142   2HE   LYS  18          2HE       LYS  18   1.614   7.241   4.913
  143   1HZ   LYS  18          3HZ       LYS  18   0.420   5.753   6.314
  144   2HZ   LYS  18          1HZ       LYS  18   0.375   4.566   5.151
  145   3HZ   LYS  18          2HZ       LYS  18   1.807   5.126   5.819
  146    H    ALA  19           H        ALA  19  -3.605  10.397   2.864
  147    HA   ALA  19           HA       ALA  19  -5.917  11.092   4.403
  148   1HB   ALA  19          3HB       ALA  19  -4.462  12.763   3.256
  149   2HB   ALA  19          1HB       ALA  19  -5.016  12.129   1.684
  150   3HB   ALA  19          2HB       ALA  19  -6.163  12.931   2.780
  151    H    LEU  20           H        LEU  20  -5.526   9.131   1.547
  152    HA   LEU  20           HA       LEU  20  -8.416   9.026   0.989
  153   1HB   LEU  20          1HB       LEU  20  -6.649   8.654  -0.758
  154   2HB   LEU  20          2HB       LEU  20  -6.104   7.219   0.090
  155    HG   LEU  20           HG       LEU  20  -8.766   7.584  -1.347
  156   1HD1  LEU  20          2HD1      LEU  20  -6.266   5.904  -1.911
  157   2HD1  LEU  20          3HD1      LEU  20  -7.767   5.840  -2.845
  158   3HD1  LEU  20          1HD1      LEU  20  -6.823   7.332  -2.823
  159   1HD2  LEU  20          2HD2      LEU  20  -7.703   5.090   0.063
  160   2HD2  LEU  20          3HD2      LEU  20  -9.203   5.977   0.434
  161   3HD2  LEU  20          1HD2      LEU  20  -9.047   5.107  -1.085
  162    H    LEU  21           H        LEU  21  -6.097   6.534   2.184
  163    HA   LEU  21           HA       LEU  21  -8.181   4.751   2.858
  164   1HB   LEU  21          1HB       LEU  21  -5.297   5.040   3.846
  165   2HB   LEU  21          2HB       LEU  21  -6.270   3.649   4.262
  166    HG   LEU  21           HG       LEU  21  -5.759   4.417   1.361
  167   1HD1  LEU  21          3HD1      LEU  21  -3.597   4.064   2.453
  168   2HD1  LEU  21          1HD1      LEU  21  -4.157   2.500   3.098
  169   3HD1  LEU  21          2HD1      LEU  21  -3.975   2.733   1.344
  170   1HD2  LEU  21          1HD2      LEU  21  -7.638   2.807   1.785
  171   2HD2  LEU  21          2HD2      LEU  21  -6.288   2.081   0.902
  172   3HD2  LEU  21          3HD2      LEU  21  -6.481   1.729   2.609
  173    H    SER  22           H        SER  22  -6.589   7.202   4.887
  174    HA   SER  22           HA       SER  22  -7.992   6.519   7.297
  175   1HB   SER  22          1HB       SER  22  -5.724   7.784   6.893
  176   2HB   SER  22          2HB       SER  22  -6.753   9.227   6.769
  177    HG   SER  22           HG       SER  22  -7.245   9.028   8.855
  178    H    SER  23           H        SER  23  -8.759   8.766   4.450
  179    HA   SER  23           HA       SER  23 -11.015   9.959   5.785
  180   1HB   SER  23          1HB       SER  23 -10.269  10.910   3.725
  181   2HB   SER  23          2HB       SER  23 -10.385   9.368   2.867
  182    HG   SER  23           HG       SER  23 -12.275   9.875   2.366
  183    H    LYS  24           H        LYS  24 -10.477   6.891   4.070
  184    HA   LYS  24           HA       LYS  24 -13.211   5.955   4.457
  185   1HB   LYS  24          1HB       LYS  24 -10.703   4.572   3.404
  186   2HB   LYS  24          2HB       LYS  24 -12.343   3.906   3.357
  187   1HG   LYS  24          1HG       LYS  24 -13.054   5.944   2.056
  188   2HG   LYS  24          2HG       LYS  24 -11.383   6.472   1.999
  189   1HD   LYS  24          1HD       LYS  24 -10.792   4.350   0.818
  190   2HD   LYS  24          2HD       LYS  24 -12.509   3.944   0.748
  191   1HE   LYS  24          1HE       LYS  24 -11.683   6.698  -0.192
  192   2HE   LYS  24          2HE       LYS  24 -11.251   5.311  -1.213
  193   1HZ   LYS  24          3HZ       LYS  24 -14.016   5.879  -0.348
  194   2HZ   LYS  24          1HZ       LYS  24 -13.387   6.204  -1.838
  195   3HZ   LYS  24          2HZ       LYS  24 -13.460   4.660  -1.345
  196    H    GLY  25           H        GLY  25 -10.775   6.274   6.706
  197   1HA   GLY  25          1HA       GLY  25 -10.531   5.529   8.819
  198   2HA   GLY  25          2HA       GLY  25 -12.203   4.974   8.700
  199    H    VAL  26           H        VAL  26  -9.413   3.639   6.771
  200    HA   VAL  26           HA       VAL  26 -10.199   0.992   7.653
  201    HB   VAL  26           HB       VAL  26  -8.792   0.368   5.739
  202   1HG1  VAL  26          1HG1      VAL  26 -11.110   1.403   5.326
  203   2HG1  VAL  26          2HG1      VAL  26 -10.235   2.866   4.858
  204   3HG1  VAL  26          3HG1      VAL  26  -9.985   1.367   3.951
  205   1HG2  VAL  26          1HG2      VAL  26  -7.673   3.075   5.850
  206   2HG2  VAL  26          2HG2      VAL  26  -6.883   1.493   5.805
  207   3HG2  VAL  26          3HG2      VAL  26  -7.720   2.081   4.363
  208    H    SER  27           H        SER  27  -8.788  -0.537   8.639
  209    HA   SER  27           HA       SER  27  -6.373   0.503   9.995
  210   1HB   SER  27          1HB       SER  27  -7.858  -2.146  10.084
  211   2HB   SER  27          2HB       SER  27  -6.285  -1.875  10.855
  212    HG   SER  27           HG       SER  27  -7.133  -0.287  12.121
  213    H    PHE  28           H        PHE  28  -5.017   0.969   8.290
  214    HA   PHE  28           HA       PHE  28  -4.159  -1.322   6.589
  215   1HB   PHE  28          1HB       PHE  28  -2.817   0.301   5.372
  216   2HB   PHE  28          2HB       PHE  28  -4.498   0.798   5.379
  217    HD1  PHE  28           HD2      PHE  28  -1.102   1.496   6.737
  218    HD2  PHE  28           HD1      PHE  28  -5.172   2.910   6.473
  219    HE1  PHE  28           HE2      PHE  28  -0.405   3.703   7.619
  220    HE2  PHE  28           HE1      PHE  28  -4.457   5.109   7.323
  221    HZ   PHE  28           HZ       PHE  28  -2.076   5.516   7.904
  222    H    GLN  29           H        GLN  29  -1.860  -1.826   6.593
  223    HA   GLN  29           HA       GLN  29  -0.530  -1.354   9.174
  224   1HB   GLN  29          1HB       GLN  29  -1.125  -3.864   7.882
  225   2HB   GLN  29          2HB       GLN  29   0.609  -3.573   7.726
  226   1HG   GLN  29          1HG       GLN  29   0.591  -2.960  10.225
  227   2HG   GLN  29          2HG       GLN  29  -1.014  -3.710  10.275
  228   1HE2  GLN  29          2HE2      GLN  29   2.358  -6.026   9.904
  229   2HE2  GLN  29          1HE2      GLN  29   2.494  -4.271   9.952
  230    H    GLU  30           H        GLU  30   0.609   0.270   8.755
  231    HA   GLU  30           HA       GLU  30   1.994   0.862   6.269
  232   1HB   GLU  30          1HB       GLU  30   1.432   2.385   8.342
  233   2HB   GLU  30          2HB       GLU  30   3.007   1.774   8.930
  234   1HG   GLU  30          1HG       GLU  30   4.228   2.803   7.257
  235   2HG   GLU  30          2HG       GLU  30   2.826   2.945   6.179
  236    H    LEU  31           H        LEU  31   3.985   0.468   5.730
  237    HA   LEU  31           HA       LEU  31   5.756  -1.383   7.267
  238   1HB   LEU  31          1HB       LEU  31   5.044  -1.738   4.359
  239   2HB   LEU  31          2HB       LEU  31   6.292  -2.606   5.244
  240    HG   LEU  31           HG       LEU  31   3.278  -2.758   5.690
  241   1HD1  LEU  31          2HD1      LEU  31   5.388  -4.691   4.668
  242   2HD1  LEU  31          3HD1      LEU  31   3.680  -5.086   4.900
  243   3HD1  LEU  31          1HD1      LEU  31   4.145  -3.860   3.690
  244   1HD2  LEU  31          3HD2      LEU  31   5.458  -4.390   7.074
  245   2HD2  LEU  31          1HD2      LEU  31   4.443  -3.150   7.857
  246   3HD2  LEU  31          2HD2      LEU  31   3.701  -4.615   7.224
  247    HA   PRO  32           HA       PRO  32   8.162   2.308   5.850
  248   1HB   PRO  32          1HB       PRO  32   9.998   1.278   7.965
  249   2HB   PRO  32          2HB       PRO  32   9.369   2.923   7.735
  250   1HG   PRO  32          1HG       PRO  32   8.401   1.338   9.734
  251   2HG   PRO  32          2HG       PRO  32   7.316   2.417   8.808
  252   1HD   PRO  32          1HD       PRO  32   7.774  -0.568   8.423
  253   2HD   PRO  32          2HD       PRO  32   6.233   0.317   8.467
  254    H    ILE  33           H        ILE  33   9.964   2.303   4.506
  255    HA   ILE  33           HA       ILE  33  11.804  -0.045   4.472
  256    HB   ILE  33           HB       ILE  33  12.003   0.503   1.943
  257   1HG1  ILE  33          1HG1      ILE  33   9.069   1.076   1.951
  258   2HG1  ILE  33          2HG1      ILE  33  10.180   2.394   2.302
  259   1HG2  ILE  33          1HG2      ILE  33   9.778  -1.125   3.169
  260   2HG2  ILE  33          2HG2      ILE  33  10.253  -1.241   1.454
  261   3HG2  ILE  33          3HG2      ILE  33  11.402  -1.653   2.742
  262   1HD1  ILE  33          3HD1      ILE  33  11.457   1.864   0.215
  263   2HD1  ILE  33          1HD1      ILE  33  10.111   0.762  -0.215
  264   3HD1  ILE  33          2HD1      ILE  33   9.843   2.509  -0.007
  265    H    ASP  34           H        ASP  34  11.648   3.325   4.997
  266    HA   ASP  34           HA       ASP  34  14.358   3.753   3.872
  267   1HB   ASP  34          1HB       ASP  34  14.303   5.917   4.998
  268   2HB   ASP  34          2HB       ASP  34  12.963   5.730   3.881
  269    H    GLY  35           H        GLY  35  16.184   3.953   5.327
  270   1HA   GLY  35          1HA       GLY  35  17.429   3.400   7.145
  271   2HA   GLY  35          2HA       GLY  35  15.980   2.989   8.062
  272    H    ASN  36           H        ASN  36  15.783   1.358   5.065
  273    HA   ASN  36           HA       ASN  36  17.106  -1.106   6.043
  274   1HB   ASN  36          1HB       ASN  36  15.139  -1.365   7.226
  275   2HB   ASN  36          2HB       ASN  36  14.191  -0.410   6.099
  276   1HD2  ASN  36          2HD2      ASN  36  13.067  -3.033   4.100
  277   2HD2  ASN  36          1HD2      ASN  36  13.727  -1.393   3.976
  278    H    ALA  37           H        ALA  37  18.186  -1.835   4.233
  279    HA   ALA  37           HA       ALA  37  16.965  -1.499   1.548
  280   1HB   ALA  37          2HB       ALA  37  19.452  -1.375   1.861
  281   2HB   ALA  37          3HB       ALA  37  19.443  -3.027   2.491
  282   3HB   ALA  37          1HB       ALA  37  18.995  -2.723   0.804
  283    H    ALA  38           H        ALA  38  17.176  -3.875   4.074
  284    HA   ALA  38           HA       ALA  38  16.940  -6.202   2.526
  285   1HB   ALA  38          2HB       ALA  38  16.134  -5.629   5.414
  286   2HB   ALA  38          3HB       ALA  38  16.227  -7.235   4.683
  287   3HB   ALA  38          1HB       ALA  38  17.695  -6.241   4.813
  288    H    LYS  39           H        LYS  39  14.322  -4.752   4.526
  289    HA   LYS  39           HA       LYS  39  12.402  -6.387   3.207
  290   1HB   LYS  39          1HB       LYS  39  12.311  -5.278   5.543
  291   2HB   LYS  39          2HB       LYS  39  11.482  -3.941   4.728
  292   1HG   LYS  39          1HG       LYS  39   9.681  -5.316   4.058
  293   2HG   LYS  39          2HG       LYS  39  10.605  -6.799   4.237
  294   1HD   LYS  39          1HD       LYS  39   9.073  -6.883   5.928
  295   2HD   LYS  39          2HD       LYS  39  10.594  -6.494   6.724
  296   1HE   LYS  39          1HE       LYS  39   9.876  -4.164   7.019
  297   2HE   LYS  39          2HE       LYS  39   8.438  -4.450   6.012
  298   1HZ   LYS  39          2HZ       LYS  39   8.972  -5.792   8.600
  299   2HZ   LYS  39          3HZ       LYS  39   7.874  -4.585   8.387
  300   3HZ   LYS  39          1HZ       LYS  39   7.661  -6.031   7.653
  301    H    ARG  40           H        ARG  40  13.844  -3.502   2.091
  302    HA   ARG  40           HA       ARG  40  11.666  -2.839   0.231
  303   1HB   ARG  40          1HB       ARG  40  13.322  -1.097   0.641
  304   2HB   ARG  40          2HB       ARG  40  14.623  -2.146   0.122
  305   1HG   ARG  40          1HG       ARG  40  14.343  -1.543  -2.042
  306   2HG   ARG  40          2HG       ARG  40  12.677  -2.085  -2.025
  307   1HD   ARG  40          1HD       ARG  40  12.545   0.114  -2.709
  308   2HD   ARG  40          2HD       ARG  40  11.992   0.103  -1.052
  309    HE   ARG  40           HE       ARG  40  14.264   0.925  -0.367
  310   1HH1  ARG  40          2HH2      ARG  40  13.313   1.419  -3.805
  311   2HH1  ARG  40          1HH2      ARG  40  14.316   2.831  -3.939
  312   1HH2  ARG  40          2HH1      ARG  40  15.636   2.649  -0.676
  313   2HH2  ARG  40          1HH1      ARG  40  15.926   3.253  -2.287
  314    H    GLU  41           H        GLU  41  14.797  -4.717   0.002
  315    HA   GLU  41           HA       GLU  41  14.093  -5.668  -2.597
  316   1HB   GLU  41          1HB       GLU  41  16.061  -6.849  -0.620
  317   2HB   GLU  41          2HB       GLU  41  15.834  -7.366  -2.307
  318   1HG   GLU  41          1HG       GLU  41  16.084  -4.823  -2.894
  319   2HG   GLU  41          2HG       GLU  41  16.784  -4.666  -1.290
  320    H    GLU  42           H        GLU  42  13.076  -6.887   0.521
  321    HA   GLU  42           HA       GLU  42  11.720  -9.248  -0.392
  322   1HB   GLU  42          1HB       GLU  42  12.055  -8.649   2.015
  323   2HB   GLU  42          2HB       GLU  42  10.989  -7.274   1.802
  324   1HG   GLU  42          1HG       GLU  42   9.591  -8.751   2.826
  325   2HG   GLU  42          2HG       GLU  42   9.145  -8.974   1.144
  326    H    MET  43           H        MET  43  10.428  -5.916   0.143
  327    HA   MET  43           HA       MET  43   7.923  -6.199  -1.032
  328   1HB   MET  43          1HB       MET  43   8.446  -4.284   0.264
  329   2HB   MET  43          2HB       MET  43   9.812  -3.834  -0.721
  330   1HG   MET  43          1HG       MET  43   7.021  -3.827  -1.861
  331   2HG   MET  43          2HG       MET  43   7.642  -2.471  -0.928
  332   1HE   MET  43          3HE       MET  43  10.301  -1.555  -1.574
  333   2HE   MET  43          1HE       MET  43  10.160  -0.688  -3.127
  334   3HE   MET  43          2HE       MET  43   8.893  -0.510  -1.895
  335    H    ILE  44           H        ILE  44  11.005  -5.454  -2.674
  336    HA   ILE  44           HA       ILE  44   9.945  -4.950  -5.246
  337    HB   ILE  44           HB       ILE  44  12.639  -5.938  -4.240
  338   1HG1  ILE  44          1HG1      ILE  44  11.837  -3.364  -5.583
  339   2HG1  ILE  44          2HG1      ILE  44  11.704  -3.531  -3.853
  340   1HG2  ILE  44          2HG2      ILE  44  11.911  -5.218  -7.113
  341   2HG2  ILE  44          3HG2      ILE  44  13.563  -5.465  -6.514
  342   3HG2  ILE  44          1HG2      ILE  44  12.452  -6.815  -6.534
  343   1HD1  ILE  44          1HD1      ILE  44  14.322  -3.702  -5.409
  344   2HD1  ILE  44          2HD1      ILE  44  13.729  -2.313  -4.491
  345   3HD1  ILE  44          3HD1      ILE  44  14.132  -3.806  -3.646
  346    H    LYS  45           H        LYS  45  11.099  -8.082  -3.830
  347    HA   LYS  45           HA       LYS  45  10.266  -9.530  -6.217
  348   1HB   LYS  45          1HB       LYS  45  11.341 -10.281  -3.500
  349   2HB   LYS  45          2HB       LYS  45  10.660 -11.536  -4.560
  350   1HG   LYS  45          1HG       LYS  45  12.197 -11.104  -6.308
  351   2HG   LYS  45          2HG       LYS  45  12.646  -9.534  -5.668
  352   1HD   LYS  45          1HD       LYS  45  14.466 -10.958  -5.372
  353   2HD   LYS  45          2HD       LYS  45  13.822 -10.628  -3.767
  354   1HE   LYS  45          1HE       LYS  45  12.805 -12.846  -3.660
  355   2HE   LYS  45          2HE       LYS  45  13.131 -13.116  -5.378
  356   1HZ   LYS  45          1HZ       LYS  45  15.554 -12.939  -4.765
  357   2HZ   LYS  45          2HZ       LYS  45  15.122 -13.039  -3.203
  358   3HZ   LYS  45          3HZ       LYS  45  14.779 -14.283  -4.250
  359    H    ARG  46           H        ARG  46   8.576  -8.436  -3.392
  360    HA   ARG  46           HA       ARG  46   6.284 -10.212  -3.844
  361   1HB   ARG  46          1HB       ARG  46   6.528  -7.683  -2.191
  362   2HB   ARG  46          2HB       ARG  46   5.185  -8.813  -2.143
  363   1HG   ARG  46          1HG       ARG  46   7.899  -9.981  -1.568
  364   2HG   ARG  46          2HG       ARG  46   7.243  -8.844  -0.402
  365   1HD   ARG  46          1HD       ARG  46   6.677 -11.087   0.225
  366   2HD   ARG  46          2HD       ARG  46   5.192 -10.217  -0.205
  367    HE   ARG  46           HE       ARG  46   6.392 -11.754  -2.395
  368   1HH1  ARG  46          2HH2      ARG  46   4.176 -12.021   0.420
  369   2HH1  ARG  46          1HH2      ARG  46   3.568 -13.547  -0.097
  370   1HH2  ARG  46          2HH1      ARG  46   5.440 -13.559  -3.132
  371   2HH2  ARG  46          1HH1      ARG  46   4.219 -14.424  -2.218
  372    H    SER  47           H        SER  47   7.244  -7.011  -4.998
  373    HA   SER  47           HA       SER  47   4.481  -6.481  -5.953
  374   1HB   SER  47          1HB       SER  47   6.900  -4.641  -5.766
  375   2HB   SER  47          2HB       SER  47   5.219  -4.167  -6.020
  376    HG   SER  47           HG       SER  47   6.517  -5.192  -3.755
  377    H    GLY  48           H        GLY  48   7.712  -7.104  -7.290
  378   1HA   GLY  48          1HA       GLY  48   8.384  -7.214  -9.503
  379   2HA   GLY  48          2HA       GLY  48   6.771  -6.766 -10.034
  380    H    ARG  49           H        ARG  49   7.447  -4.499  -7.747
  381    HA   ARG  49           HA       ARG  49   8.514  -2.488  -9.670
  382   1HB   ARG  49          1HB       ARG  49   6.249  -2.321  -7.646
  383   2HB   ARG  49          2HB       ARG  49   7.065  -0.888  -8.288
  384   1HG   ARG  49          1HG       ARG  49   6.361  -1.414 -10.551
  385   2HG   ARG  49          2HG       ARG  49   5.593  -2.921 -10.009
  386   1HD   ARG  49          1HD       ARG  49   4.001  -1.691  -8.637
  387   2HD   ARG  49          2HD       ARG  49   4.846  -0.158  -8.951
  388    HE   ARG  49           HE       ARG  49   4.176  -1.157 -11.450
  389   1HH1  ARG  49          2HH2      ARG  49   2.349   0.122  -8.644
  390   2HH1  ARG  49          1HH2      ARG  49   0.923   0.436  -9.608
  391   1HH2  ARG  49          2HH1      ARG  49   2.416  -0.629 -12.649
  392   2HH2  ARG  49          1HH1      ARG  49   1.075   0.238 -11.938
  393    H    THR  50           H        THR  50   9.677  -0.788  -8.587
  394    HA   THR  50           HA       THR  50  10.976  -1.642  -6.041
  395    HB   THR  50           HB       THR  50  11.928  -0.598  -8.673
  396    HG1  THR  50           HG1      THR  50  12.078  -2.753  -8.396
  397   1HG2  THR  50          2HG2      THR  50  13.570  -0.515  -6.101
  398   2HG2  THR  50          3HG2      THR  50  14.212  -0.298  -7.743
  399   3HG2  THR  50          1HG2      THR  50  13.093   0.895  -7.068
  400    H    THR  51           H        THR  51   9.039   0.778  -7.520
  401    HA   THR  51           HA       THR  51   9.829   3.012  -5.893
  402    HB   THR  51           HB       THR  51   7.612   3.876  -6.923
  403    HG1  THR  51           HG1      THR  51   6.626   2.581  -8.415
  404   1HG2  THR  51          1HG2      THR  51   9.850   4.290  -7.938
  405   2HG2  THR  51          2HG2      THR  51   9.660   2.814  -8.915
  406   3HG2  THR  51          3HG2      THR  51   8.543   4.179  -9.118
  407    H    VAL  52           H        VAL  52   7.864   4.061  -4.745
  408    HA   VAL  52           HA       VAL  52   6.104   2.133  -3.348
  409    HB   VAL  52           HB       VAL  52   6.290   4.145  -1.523
  410   1HG1  VAL  52          2HG1      VAL  52   6.493   1.722  -1.116
  411   2HG1  VAL  52          3HG1      VAL  52   8.198   1.813  -1.616
  412   3HG1  VAL  52          1HG1      VAL  52   7.613   2.710  -0.175
  413   1HG2  VAL  52          1HG2      VAL  52   8.080   5.358  -2.695
  414   2HG2  VAL  52          2HG2      VAL  52   8.607   4.748  -1.113
  415   3HG2  VAL  52          3HG2      VAL  52   9.144   3.935  -2.577
  416    HA   PRO  53           HA       PRO  53   4.550   2.688  -1.577
  417   1HB   PRO  53          1HB       PRO  53   1.870   2.473  -1.312
  418   2HB   PRO  53          2HB       PRO  53   2.771   3.911  -0.740
  419   1HG   PRO  53          1HG       PRO  53   1.242   3.563  -3.332
  420   2HG   PRO  53          2HG       PRO  53   1.187   4.945  -2.188
  421   1HD   PRO  53          1HD       PRO  53   2.749   4.890  -4.461
  422   2HD   PRO  53          2HD       PRO  53   3.219   5.800  -2.991
  423    H    GLN  54           H        GLN  54   3.686   0.489  -1.391
  424    HA   GLN  54           HA       GLN  54   2.709  -0.785  -3.854
  425   1HB   GLN  54          1HB       GLN  54   4.741  -2.053  -1.952
  426   2HB   GLN  54          2HB       GLN  54   3.963  -2.827  -3.313
  427   1HG   GLN  54          1HG       GLN  54   6.013  -0.589  -3.396
  428   2HG   GLN  54          2HG       GLN  54   6.221  -2.268  -3.892
  429   1HE2  GLN  54          2HE2      GLN  54   5.597   0.124  -6.837
  430   2HE2  GLN  54          1HE2      GLN  54   6.638   0.165  -5.434
  431    H    ILE  55           H        ILE  55   0.694  -1.984  -3.215
  432    HA   ILE  55           HA       ILE  55   0.311  -2.003  -0.302
  433    HB   ILE  55           HB       ILE  55  -1.735  -1.298  -2.443
  434   1HG1  ILE  55          1HG1      ILE  55  -0.135   0.458  -0.543
  435   2HG1  ILE  55          2HG1      ILE  55  -0.070   0.501  -2.302
  436   1HG2  ILE  55          3HG2      ILE  55  -2.639  -2.397  -0.383
  437   2HG2  ILE  55          1HG2      ILE  55  -1.790  -1.192   0.606
  438   3HG2  ILE  55          2HG2      ILE  55  -3.121  -0.713  -0.453
  439   1HD1  ILE  55          3HD1      ILE  55  -2.406   1.316  -2.362
  440   2HD1  ILE  55          1HD1      ILE  55  -2.365   1.449  -0.581
  441   3HD1  ILE  55          2HD1      ILE  55  -1.262   2.412  -1.573
  442    H    PHE  56           H        PHE  56  -0.800  -3.840   0.444
  443    HA   PHE  56           HA       PHE  56  -1.314  -5.988  -1.500
  444   1HB   PHE  56          1HB       PHE  56   0.230  -6.179   1.126
  445   2HB   PHE  56          2HB       PHE  56  -0.388  -7.560   0.230
  446    HD1  PHE  56           HD1      PHE  56   2.048  -4.722   0.078
  447    HD2  PHE  56           HD2      PHE  56   0.755  -8.443  -1.680
  448    HE1  PHE  56           HE1      PHE  56   4.069  -4.749  -1.393
  449    HE2  PHE  56           HE2      PHE  56   2.785  -8.489  -3.087
  450    HZ   PHE  56           HZ       PHE  56   4.402  -6.609  -2.995
  451    H    ILE  57           H        ILE  57  -3.198  -7.149  -0.889
  452    HA   ILE  57           HA       ILE  57  -4.279  -6.640   1.812
  453    HB   ILE  57           HB       ILE  57  -6.001  -6.588  -0.683
  454   1HG1  ILE  57          1HG1      ILE  57  -5.579  -4.365   1.378
  455   2HG1  ILE  57          2HG1      ILE  57  -4.695  -4.405  -0.123
  456   1HG2  ILE  57          2HG2      ILE  57  -6.575  -6.513   2.330
  457   2HG2  ILE  57          3HG2      ILE  57  -7.783  -6.124   1.102
  458   3HG2  ILE  57          1HG2      ILE  57  -7.093  -7.744   1.177
  459   1HD1  ILE  57          3HD1      ILE  57  -6.865  -4.388  -1.391
  460   2HD1  ILE  57          1HD1      ILE  57  -7.694  -4.132   0.154
  461   3HD1  ILE  57          2HD1      ILE  57  -6.521  -2.934  -0.430
  462    H    ASP  58           H        ASP  58  -4.123  -8.590   2.723
  463    HA   ASP  58           HA       ASP  58  -3.843 -10.873   2.974
  464   1HB   ASP  58          1HB       ASP  58  -6.141 -10.759   1.043
  465   2HB   ASP  58          2HB       ASP  58  -5.623 -12.234   1.845
  466    H    ALA  59           H        ALA  59  -2.102  -9.733   1.386
  467    HA   ALA  59           HA       ALA  59  -0.245 -10.119   0.154
  468   1HB   ALA  59          2HB       ALA  59  -0.273 -12.410   1.112
  469   2HB   ALA  59          3HB       ALA  59  -1.160 -12.962  -0.329
  470   3HB   ALA  59          1HB       ALA  59   0.474 -12.304  -0.493
  471    H    GLN  60           H        GLN  60  -3.305 -10.076  -1.243
  472    HA   GLN  60           HA       GLN  60  -2.527 -10.407  -4.028
  473   1HB   GLN  60          1HB       GLN  60  -4.864  -8.856  -2.825
  474   2HB   GLN  60          2HB       GLN  60  -4.691  -9.336  -4.500
  475   1HG   GLN  60          1HG       GLN  60  -5.136 -11.597  -4.064
  476   2HG   GLN  60          2HG       GLN  60  -4.731 -11.481  -2.355
  477   1HE2  GLN  60          2HE2      GLN  60  -7.865 -10.294  -1.211
  478   2HE2  GLN  60          1HE2      GLN  60  -6.144 -10.138  -0.969
  479    H    HIS  61           H        HIS  61  -1.097  -8.981  -4.940
  480    HA   HIS  61           HA       HIS  61  -0.481  -6.422  -3.657
  481   1HB   HIS  61          1HB       HIS  61   1.269  -7.790  -4.745
  482   2HB   HIS  61          2HB       HIS  61   0.451  -7.625  -6.297
  483    HD1  HIS  61           HD1      HIS  61   1.411  -5.769  -7.758
  484    HD2  HIS  61           HD2      HIS  61   1.805  -5.079  -3.604
  485    HE1  HIS  61           HE1      HIS  61   2.906  -3.670  -7.474
  486    HE2  HIS  61           HE2      HIS  61   3.074  -3.191  -5.026
  487    H    ILE  62           H        ILE  62  -1.601  -4.595  -4.045
  488    HA   ILE  62           HA       ILE  62  -3.729  -4.541  -6.005
  489    HB   ILE  62           HB       ILE  62  -2.594  -2.160  -4.498
  490   1HG1  ILE  62          1HG1      ILE  62  -2.678  -3.657  -2.746
  491   2HG1  ILE  62          2HG1      ILE  62  -4.101  -2.660  -2.581
  492   1HG2  ILE  62          1HG2      ILE  62  -4.425  -1.685  -6.076
  493   2HG2  ILE  62          2HG2      ILE  62  -5.444  -2.886  -5.256
  494   3HG2  ILE  62          3HG2      ILE  62  -4.934  -1.429  -4.395
  495   1HD1  ILE  62          3HD1      ILE  62  -4.219  -5.453  -3.829
  496   2HD1  ILE  62          1HD1      ILE  62  -4.566  -5.103  -2.160
  497   3HD1  ILE  62          2HD1      ILE  62  -5.583  -4.400  -3.432
  498    H    GLY  63           H        GLY  63  -0.553  -3.069  -5.592
  499   1HA   GLY  63          1HA       GLY  63   0.754  -2.560  -7.738
  500   2HA   GLY  63          2HA       GLY  63  -0.684  -1.585  -8.141
  501    H    GLY  64           H        GLY  64  -0.516   0.484  -7.456
  502   1HA   GLY  64          1HA       GLY  64   0.722   1.132  -4.833
  503   2HA   GLY  64          2HA       GLY  64   0.998   2.090  -6.290
  504    H    TYR  65           H        TYR  65   0.030   3.944  -5.704
  505    HA   TYR  65           HA       TYR  65  -2.289   4.069  -3.954
  506   1HB   TYR  65          1HB       TYR  65  -0.634   5.785  -3.650
  507   2HB   TYR  65          2HB       TYR  65  -0.584   6.140  -5.369
  508    HD1  TYR  65           HD2      TYR  65  -2.892   6.204  -2.432
  509    HD2  TYR  65           HD1      TYR  65  -2.055   7.781  -6.356
  510    HE1  TYR  65           HE2      TYR  65  -4.653   7.937  -2.120
  511    HE2  TYR  65           HE1      TYR  65  -3.836   9.448  -6.075
  512    HH   TYR  65           HH       TYR  65  -5.722  10.084  -4.712
  513    H    ASP  66           H        ASP  66  -1.604   5.047  -7.389
  514    HA   ASP  66           HA       ASP  66  -4.297   5.905  -7.844
  515   1HB   ASP  66          1HB       ASP  66  -2.286   4.820  -9.850
  516   2HB   ASP  66          2HB       ASP  66  -3.781   5.653 -10.256
  517    H    ASP  67           H        ASP  67  -2.662   2.807  -8.071
  518    HA   ASP  67           HA       ASP  67  -4.720   1.338  -9.456
  519   1HB   ASP  67          1HB       ASP  67  -2.651   0.283  -7.481
  520   2HB   ASP  67          2HB       ASP  67  -3.598  -0.661  -8.624
  521    H    LEU  68           H        LEU  68  -3.852   1.713  -5.962
  522    HA   LEU  68           HA       LEU  68  -6.089   0.283  -4.938
  523   1HB   LEU  68          1HB       LEU  68  -4.170   0.831  -3.589
  524   2HB   LEU  68          2HB       LEU  68  -4.545   2.554  -3.632
  525    HG   LEU  68           HG       LEU  68  -6.874   0.882  -2.829
  526   1HD1  LEU  68          1HD1      LEU  68  -5.092  -0.493  -1.868
  527   2HD1  LEU  68          2HD1      LEU  68  -4.578   0.922  -0.901
  528   3HD1  LEU  68          3HD1      LEU  68  -6.191   0.211  -0.678
  529   1HD2  LEU  68          1HD2      LEU  68  -6.742   3.393  -2.613
  530   2HD2  LEU  68          2HD2      LEU  68  -7.175   2.560  -1.129
  531   3HD2  LEU  68          3HD2      LEU  68  -5.516   3.176  -1.352
  532    H    TYR  69           H        TYR  69  -5.746   3.740  -5.611
  533    HA   TYR  69           HA       TYR  69  -8.218   4.602  -4.553
  534   1HB   TYR  69          1HB       TYR  69  -6.589   6.236  -5.369
  535   2HB   TYR  69          2HB       TYR  69  -6.670   5.599  -6.996
  536    HD1  TYR  69           HD2      TYR  69  -8.795   7.301  -4.386
  537    HD2  TYR  69           HD1      TYR  69  -8.287   6.326  -8.564
  538    HE1  TYR  69           HE2      TYR  69 -10.870   8.516  -4.912
  539    HE2  TYR  69           HE1      TYR  69 -10.364   7.553  -9.105
  540    HH   TYR  69           HH       TYR  69 -12.646   8.419  -6.706
  541    H    ALA  70           H        ALA  70  -7.460   3.436  -7.755
  542    HA   ALA  70           HA       ALA  70 -10.172   3.669  -8.781
  543   1HB   ALA  70          2HB       ALA  70  -7.808   1.994  -9.764
  544   2HB   ALA  70          3HB       ALA  70  -9.321   2.266 -10.652
  545   3HB   ALA  70          1HB       ALA  70  -8.240   3.636 -10.300
  546    H    LEU  71           H        LEU  71  -8.235   1.002  -7.479
  547    HA   LEU  71           HA       LEU  71 -10.186  -1.089  -7.653
  548   1HB   LEU  71          1HB       LEU  71  -7.643  -1.213  -7.334
  549   2HB   LEU  71          2HB       LEU  71  -7.991  -1.013  -5.626
  550    HG   LEU  71           HG       LEU  71  -9.795  -2.980  -7.036
  551   1HD1  LEU  71          1HD1      LEU  71  -6.876  -3.694  -6.707
  552   2HD1  LEU  71          2HD1      LEU  71  -8.215  -4.794  -7.093
  553   3HD1  LEU  71          3HD1      LEU  71  -7.767  -3.515  -8.233
  554   1HD2  LEU  71          2HD2      LEU  71  -9.728  -2.476  -4.627
  555   2HD2  LEU  71          3HD2      LEU  71  -9.534  -4.192  -5.049
  556   3HD2  LEU  71          1HD2      LEU  71  -8.117  -3.200  -4.554
  557    H    ASP  72           H        ASP  72  -9.591   1.310  -5.082
  558    HA   ASP  72           HA       ASP  72 -11.524   0.232  -3.240
  559   1HB   ASP  72          1HB       ASP  72  -9.823   1.966  -2.562
  560   2HB   ASP  72          2HB       ASP  72 -10.665   3.140  -3.561
  561    H    ALA  73           H        ALA  73 -11.631   2.940  -5.508
  562    HA   ALA  73           HA       ALA  73 -14.355   3.468  -5.210
  563   1HB   ALA  73          2HB       ALA  73 -12.314   4.183  -7.342
  564   2HB   ALA  73          3HB       ALA  73 -13.946   4.854  -7.307
  565   3HB   ALA  73          1HB       ALA  73 -12.835   5.157  -5.958
  566    H    ARG  74           H        ARG  74 -12.929   0.993  -7.176
  567    HA   ARG  74           HA       ARG  74 -15.324   0.532  -8.767
  568   1HB   ARG  74          1HB       ARG  74 -14.187  -1.097  -9.783
  569   2HB   ARG  74          2HB       ARG  74 -12.831  -0.225  -9.153
  570   1HG   ARG  74          1HG       ARG  74 -12.089  -2.228  -8.472
  571   2HG   ARG  74          2HG       ARG  74 -13.225  -2.060  -7.155
  572   1HD   ARG  74          1HD       ARG  74 -14.932  -3.303  -8.462
  573   2HD   ARG  74          2HD       ARG  74 -13.808  -3.454  -9.807
  574    HE   ARG  74           HE       ARG  74 -12.376  -4.574  -7.818
  575   1HH1  ARG  74          2HH2      ARG  74 -15.664  -5.273  -9.076
  576   2HH1  ARG  74          1HH2      ARG  74 -15.717  -6.817  -8.287
  577   1HH2  ARG  74          2HH1      ARG  74 -12.605  -6.699  -6.731
  578   2HH2  ARG  74          1HH1      ARG  74 -14.057  -7.583  -7.093
  579    H    GLY  75           H        GLY  75 -14.734   0.155  -5.476
  580   1HA   GLY  75          1HA       GLY  75 -16.052  -0.802  -3.815
  581   2HA   GLY  75          2HA       GLY  75 -17.003  -1.660  -5.032
  582    H    GLY  76           H        GLY  76 -13.407  -1.782  -5.162
  583   1HA   GLY  76          1HA       GLY  76 -13.633  -4.711  -4.858
  584   2HA   GLY  76          2HA       GLY  76 -12.415  -3.792  -5.746
  585    H    LEU  77           H        LEU  77 -12.024  -1.872  -3.423
  586    HA   LEU  77           HA       LEU  77 -10.102  -3.485  -1.916
  587   1HB   LEU  77          1HB       LEU  77  -9.932  -0.973  -2.332
  588   2HB   LEU  77          2HB       LEU  77 -11.235  -0.752  -1.165
  589    HG   LEU  77           HG       LEU  77  -8.388  -1.682  -0.726
  590   1HD1  LEU  77          2HD1      LEU  77  -8.936   0.749  -0.813
  591   2HD1  LEU  77          3HD1      LEU  77 -10.031   0.524   0.562
  592   3HD1  LEU  77          1HD1      LEU  77  -8.295   0.243   0.765
  593   1HD2  LEU  77          1HD2      LEU  77 -10.609  -1.788   1.356
  594   2HD2  LEU  77          2HD2      LEU  77  -9.553  -3.123   0.843
  595   3HD2  LEU  77          3HD2      LEU  77  -8.874  -1.788   1.746
  596    H    ASP  78           H        ASP  78 -13.295  -2.038  -1.388
  597    HA   ASP  78           HA       ASP  78 -13.693  -2.451   1.272
  598   1HB   ASP  78          1HB       ASP  78 -15.296  -1.197   0.109
  599   2HB   ASP  78          2HB       ASP  78 -15.625  -2.475  -1.055
  600    HA   PRO  79           HA       PRO  79 -15.341  -6.933   0.950
  601   1HB   PRO  79          1HB       PRO  79 -14.997  -8.448  -1.304
  602   2HB   PRO  79          2HB       PRO  79 -16.389  -7.345  -1.106
  603   1HG   PRO  79          1HG       PRO  79 -13.773  -6.786  -2.548
  604   2HG   PRO  79          2HG       PRO  79 -15.441  -6.532  -3.156
  605   1HD   PRO  79          1HD       PRO  79 -14.067  -4.504  -2.087
  606   2HD   PRO  79          2HD       PRO  79 -15.798  -4.700  -1.713
  607    H    LEU  80           H        LEU  80 -12.225  -6.040  -0.385
  608    HA   LEU  80           HA       LEU  80 -10.962  -8.590   0.447
  609   1HB   LEU  80          1HB       LEU  80  -9.706  -6.066  -0.669
  610   2HB   LEU  80          2HB       LEU  80  -8.898  -7.600  -0.324
  611    HG   LEU  80           HG       LEU  80 -11.015  -7.170  -2.450
  612   1HD1  LEU  80          3HD1      LEU  80  -8.802  -6.182  -2.961
  613   2HD1  LEU  80          1HD1      LEU  80  -8.024  -7.747  -2.642
  614   3HD1  LEU  80          2HD1      LEU  80  -9.147  -7.563  -4.008
  615   1HD2  LEU  80          3HD2      LEU  80  -9.564  -9.695  -1.631
  616   2HD2  LEU  80          1HD2      LEU  80 -11.310  -9.405  -1.672
  617   3HD2  LEU  80          2HD2      LEU  80 -10.400  -9.477  -3.189
  618    H    LEU  81           H        LEU  81 -11.897  -5.553   1.763
  619    HA   LEU  81           HA       LEU  81  -9.820  -5.304   3.750
  620   1HB   LEU  81          1HB       LEU  81 -11.628  -3.624   2.612
  621   2HB   LEU  81          2HB       LEU  81 -12.518  -4.035   4.057
  622    HG   LEU  81           HG       LEU  81  -9.812  -2.703   3.831
  623   1HD1  LEU  81          3HD1      LEU  81 -11.763  -1.295   3.349
  624   2HD1  LEU  81          1HD1      LEU  81 -12.496  -1.757   4.893
  625   3HD1  LEU  81          2HD1      LEU  81 -11.003  -0.808   4.876
  626   1HD2  LEU  81          3HD2      LEU  81  -9.707  -4.072   5.876
  627   2HD2  LEU  81          1HD2      LEU  81  -9.723  -2.344   6.229
  628   3HD2  LEU  81          2HD2      LEU  81 -11.195  -3.307   6.451
  629    H    LYS  82           H        LYS  82 -11.453  -7.890   3.523
  630    HA   LYS  82           HA       LYS  82 -11.980  -8.281   6.382
  631   1HB   LYS  82          1HB       LYS  82 -14.154  -8.283   5.219
  632   2HB   LYS  82          2HB       LYS  82 -13.585  -9.483   4.067
  633   1HG   LYS  82          1HG       LYS  82 -13.579 -10.021   7.064
  634   2HG   LYS  82          2HG       LYS  82 -15.056 -10.147   6.135
  635   1HD   LYS  82          1HD       LYS  82 -14.588 -12.172   5.412
  636   2HD   LYS  82          2HD       LYS  82 -13.054 -11.692   4.726
  637   1HE   LYS  82          1HE       LYS  82 -13.513 -12.419   7.655
  638   2HE   LYS  82          2HE       LYS  82 -12.918 -13.540   6.419
  639   1HZ   LYS  82          2HZ       LYS  82 -10.988 -12.088   6.135
  640   2HZ   LYS  82          3HZ       LYS  82 -11.518 -11.088   7.311
  641   3HZ   LYS  82          1HZ       LYS  82 -11.104 -12.636   7.674
  642   1HB2  GTT  83          1HB2      GTT  83   8.784   7.365  -2.868
  643   2HB2  GTT  83          2HB2      GTT  83   9.952   8.640  -3.200
  644    HA2  GTT  83           HA2      GTT  83   9.837   8.332  -5.519
  645    HN2  GTT  83           HN2      GTT  83   7.463   6.595  -5.389
  646   1HG1  GTT  83          1HG1      GTT  83   5.498   7.445  -6.554
  647   2HG1  GTT  83          2HG1      GTT  83   6.551   6.637  -7.725
  648   1HB1  GTT  83          1HB1      GTT  83   6.402   8.638  -9.214
  649   2HB1  GTT  83          2HB1      GTT  83   5.352   9.429  -8.025
  650    HA1  GTT  83           HA1      GTT  83   3.688   7.626  -8.255
  651   1HN1  GTT  83          1HN1      GTT  83   3.975   6.195 -10.217
  652   2HN1  GTT  83          2HN1      GTT  83   5.567   6.570 -10.235
  653   3HN1  GTT  83          3HN1      GTT  83   4.926   5.791  -8.915
  654    HN3  GTT  83           HN3      GTT  83  11.701   6.996  -4.274
  655   1HA3  GTT  83          1HA3      GTT  83  11.423   4.284  -3.606
  656   2HA3  GTT  83          2HA3      GTT  83  11.914   4.399  -5.312
   
  No H/Q in entry =         656
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1  -8.420 -10.424   8.616
    2   2H    ALA   1          2H        ALA   1  -9.527 -10.824   7.451
    3   3H    ALA   1          3H        ALA   1  -7.996 -11.406   7.352
    4    HA   ALA   1           HA       ALA   1  -8.218  -9.680   5.798
    5   1HB   ALA   1          1HB       ALA   1 -10.101  -8.513   6.875
    6   2HB   ALA   1          2HB       ALA   1  -9.031  -7.981   8.196
    7   3HB   ALA   1          3HB       ALA   1  -8.774  -7.384   6.547
    8    H    ASN   2           H        ASN   2  -6.422  -8.356   5.287
    9    HA   ASN   2           HA       ASN   2  -4.507  -7.576   7.342
   10   1HB   ASN   2          1HB       ASN   2  -4.134 -10.047   6.922
   11   2HB   ASN   2          2HB       ASN   2  -3.710  -9.680   5.272
   12   1HD2  ASN   2          2HD2      ASN   2  -0.534  -8.185   6.049
   13   2HD2  ASN   2          1HD2      ASN   2  -1.918  -8.035   4.982
   14    H    VAL   3           H        VAL   3  -5.106  -5.478   6.344
   15    HA   VAL   3           HA       VAL   3  -4.104  -4.990   3.613
   16    HB   VAL   3           HB       VAL   3  -5.315  -3.078   5.655
   17   1HG1  VAL   3          2HG1      VAL   3  -4.718  -2.714   2.685
   18   2HG1  VAL   3          3HG1      VAL   3  -5.596  -1.564   3.719
   19   3HG1  VAL   3          1HG1      VAL   3  -3.892  -1.906   4.028
   20   1HG2  VAL   3          3HG2      VAL   3  -6.605  -4.453   3.259
   21   2HG2  VAL   3          1HG2      VAL   3  -7.028  -4.681   4.968
   22   3HG2  VAL   3          2HG2      VAL   3  -7.319  -3.123   4.184
   23    H    GLU   4           H        GLU   4  -2.006  -4.511   3.334
   24    HA   GLU   4           HA       GLU   4  -0.474  -3.224   5.536
   25   1HB   GLU   4          1HB       GLU   4   0.329  -5.302   3.494
   26   2HB   GLU   4          2HB       GLU   4   1.528  -4.236   4.221
   27   1HG   GLU   4          1HG       GLU   4   1.074  -5.109   6.431
   28   2HG   GLU   4          2HG       GLU   4  -0.316  -6.027   5.838
   29    H    ILE   5           H        ILE   5   0.982  -1.545   4.764
   30    HA   ILE   5           HA       ILE   5   1.084  -0.963   1.888
   31    HB   ILE   5           HB       ILE   5  -0.746   0.407   2.356
   32   1HG1  ILE   5          1HG1      ILE   5   1.698   2.218   2.594
   33   2HG1  ILE   5          2HG1      ILE   5   1.214   1.430   1.112
   34   1HG2  ILE   5          3HG2      ILE   5  -0.671   0.383   4.853
   35   2HG2  ILE   5          1HG2      ILE   5   0.628   1.593   4.793
   36   3HG2  ILE   5          2HG2      ILE   5  -0.996   1.975   4.188
   37   1HD1  ILE   5          2HD1      ILE   5  -0.442   3.484   2.645
   38   2HD1  ILE   5          3HD1      ILE   5   0.520   3.748   1.195
   39   3HD1  ILE   5          1HD1      ILE   5  -0.914   2.695   1.122
   40    H    TYR   6           H        TYR   6   3.115  -0.822   1.387
   41    HA   TYR   6           HA       TYR   6   5.219  -0.244   3.334
   42   1HB   TYR   6          1HB       TYR   6   5.163  -0.625   0.314
   43   2HB   TYR   6          2HB       TYR   6   6.608  -0.176   1.202
   44    HD1  TYR   6           HD1      TYR   6   7.435  -1.635   3.084
   45    HD2  TYR   6           HD2      TYR   6   4.515  -2.942   0.212
   46    HE1  TYR   6           HE1      TYR   6   7.955  -4.021   3.633
   47    HE2  TYR   6           HE2      TYR   6   5.110  -5.326   0.679
   48    HH   TYR   6           HH       TYR   6   6.458  -6.309   3.379
   49    H    THR   7           H        THR   7   6.023   1.765   3.763
   50    HA   THR   7           HA       THR   7   5.317   4.042   1.989
   51    HB   THR   7           HB       THR   7   5.024   5.334   4.103
   52    HG1  THR   7           HG1      THR   7   4.802   4.165   6.041
   53   1HG2  THR   7          1HG2      THR   7   3.054   4.303   2.933
   54   2HG2  THR   7          2HG2      THR   7   3.206   2.899   4.023
   55   3HG2  THR   7          3HG2      THR   7   2.827   4.484   4.683
   56    H    LYS   8           H        LYS   8   6.805   5.955   2.526
   57    HA   LYS   8           HA       LYS   8   9.237   5.219   3.906
   58   1HB   LYS   8          1HB       LYS   8  10.818   5.717   2.264
   59   2HB   LYS   8          2HB       LYS   8   9.707   4.597   1.489
   60   1HG   LYS   8          1HG       LYS   8   8.655   6.512   0.268
   61   2HG   LYS   8          2HG       LYS   8   9.698   7.633   1.113
   62   1HD   LYS   8          1HD       LYS   8  11.694   6.230   0.176
   63   2HD   LYS   8          2HD       LYS   8  10.480   5.612  -0.953
   64   1HE   LYS   8          1HE       LYS   8  11.573   7.398  -2.043
   65   2HE   LYS   8          2HE       LYS   8   9.976   7.990  -1.612
   66   1HZ   LYS   8          2HZ       LYS   8  11.093   9.094   0.338
   67   2HZ   LYS   8          3HZ       LYS   8  12.527   8.540  -0.210
   68   3HZ   LYS   8          1HZ       LYS   8  11.640   9.603  -1.130
   69    H    GLU   9           H        GLU   9  10.167   7.152   4.762
   70    HA   GLU   9           HA       GLU   9   8.716   9.598   4.791
   71   1HB   GLU   9          1HB       GLU   9  10.163   8.849   6.589
   72   2HB   GLU   9          2HB       GLU   9  11.596   8.955   5.559
   73   1HG   GLU   9          1HG       GLU   9  11.706  11.263   5.709
   74   2HG   GLU   9          2HG       GLU   9   9.962  11.453   5.850
   75    H    THR  10           H        THR  10   9.490  11.663   4.044
   76    HA   THR  10           HA       THR  10   9.676  13.106   2.390
   77    HB   THR  10           HB       THR  10  11.880  13.178   3.240
   78    HG1  THR  10           HG1      THR  10  12.870  14.022   1.319
   79   1HG2  THR  10          1HG2      THR  10  12.724  11.102   1.193
   80   2HG2  THR  10          2HG2      THR  10  13.828  12.167   2.080
   81   3HG2  THR  10          3HG2      THR  10  12.842  11.004   2.960
   82    H    CYS  11           H        CYS  11   7.876  11.691   1.576
   83    HA   CYS  11           HA       CYS  11   8.110  11.565  -1.285
   84   1HB   CYS  11          1HB       CYS  11   8.995   9.397  -0.875
   85   2HB   CYS  11          2HB       CYS  11   7.732   9.013   0.289
   86    HA   PRO  12           HA       PRO  12   4.103  12.842   0.452
   87   1HB   PRO  12          1HB       PRO  12   3.029  14.075  -1.687
   88   2HB   PRO  12          2HB       PRO  12   4.224  14.867  -0.609
   89   1HG   PRO  12          1HG       PRO  12   4.724  13.574  -3.298
   90   2HG   PRO  12          2HG       PRO  12   5.402  15.105  -2.665
   91   1HD   PRO  12          1HD       PRO  12   6.775  12.732  -2.613
   92   2HD   PRO  12          2HD       PRO  12   6.973  13.955  -1.326
   93    H    TYR  13           H        TYR  13   4.513  11.319  -2.787
   94    HA   TYR  13           HA       TYR  13   1.882  10.256  -3.120
   95   1HB   TYR  13          1HB       TYR  13   3.997  10.462  -4.685
   96   2HB   TYR  13          2HB       TYR  13   4.498   8.941  -3.969
   97    HD1  TYR  13           HD2      TYR  13   1.830  10.669  -5.941
   98    HD2  TYR  13           HD1      TYR  13   3.536   6.895  -4.739
   99    HE1  TYR  13           HE2      TYR  13   0.402   9.520  -7.581
  100    HE2  TYR  13           HE1      TYR  13   2.066   5.727  -6.329
  101    HH   TYR  13           HH       TYR  13  -0.373   7.411  -8.339
  102    H    SER  14           H        SER  14   4.596   9.050  -1.131
  103    HA   SER  14           HA       SER  14   3.272   6.588  -0.358
  104   1HB   SER  14          1HB       SER  14   5.516   6.508   0.051
  105   2HB   SER  14          2HB       SER  14   5.633   8.188   0.592
  106    HG   SER  14           HG       SER  14   5.532   7.504   2.518
  107    H    HIS  15           H        HIS  15   3.459   9.903   1.011
  108    HA   HIS  15           HA       HIS  15   1.818   9.307   3.291
  109   1HB   HIS  15          1HB       HIS  15   2.607  11.905   2.016
  110   2HB   HIS  15          2HB       HIS  15   1.323  11.866   3.217
  111    HD1  HIS  15           HD1      HIS  15   1.975  11.415   5.761
  112    HD2  HIS  15           HD2      HIS  15   5.122  11.017   2.926
  113    HE1  HIS  15           HE1      HIS  15   4.166  11.219   7.076
  114    HE2  HIS  15           HE2      HIS  15   6.062  10.991   5.350
  115    H    ARG  16           H        ARG  16   0.934  10.665   0.177
  116    HA   ARG  16           HA       ARG  16  -1.792  11.087   0.418
  117   1HB   ARG  16          1HB       ARG  16   0.030  10.161  -1.830
  118   2HB   ARG  16          2HB       ARG  16  -1.663  10.387  -2.116
  119   1HG   ARG  16          1HG       ARG  16  -1.526  12.758  -1.369
  120   2HG   ARG  16          2HG       ARG  16   0.220  12.554  -1.142
  121   1HD   ARG  16          1HD       ARG  16   0.232  11.699  -3.600
  122   2HD   ARG  16          2HD       ARG  16  -1.398  12.383  -3.705
  123    HE   ARG  16           HE       ARG  16  -0.191  14.526  -2.836
  124   1HH1  ARG  16          2HH2      ARG  16   0.581  12.511  -5.600
  125   2HH1  ARG  16          1HH2      ARG  16   1.978  13.395  -6.115
  126   1HH2  ARG  16          2HH1      ARG  16   1.429  15.939  -3.641
  127   2HH2  ARG  16          1HH1      ARG  16   2.344  15.520  -5.063
  128    H    ALA  17           H        ALA  17  -0.156   7.882  -0.242
  129    HA   ALA  17           HA       ALA  17  -2.728   6.637  -0.559
  130   1HB   ALA  17          3HB       ALA  17  -0.668   5.778  -1.600
  131   2HB   ALA  17          1HB       ALA  17  -0.018   5.440   0.016
  132   3HB   ALA  17          2HB       ALA  17  -1.440   4.539  -0.582
  133    H    LYS  18           H        LYS  18  -0.809   7.236   2.282
  134    HA   LYS  18           HA       LYS  18  -2.467   5.394   3.937
  135   1HB   LYS  18          1HB       LYS  18  -0.957   7.775   5.059
  136   2HB   LYS  18          2HB       LYS  18  -1.581   6.373   5.894
  137   1HG   LYS  18          1HG       LYS  18   0.501   5.535   5.809
  138   2HG   LYS  18          2HG       LYS  18   0.153   5.167   4.116
  139   1HD   LYS  18          1HD       LYS  18   2.175   6.453   3.986
  140   2HD   LYS  18          2HD       LYS  18   0.866   7.524   3.595
  141   1HE   LYS  18          1HE       LYS  18   2.303   8.756   5.081
  142   2HE   LYS  18          2HE       LYS  18   0.848   8.355   5.992
  143   1HZ   LYS  18          3HZ       LYS  18   2.158   6.540   7.026
  144   2HZ   LYS  18          1HZ       LYS  18   3.508   7.074   6.251
  145   3HZ   LYS  18          2HZ       LYS  18   2.699   8.043   7.317
  146    H    ALA  19           H        ALA  19  -2.310   8.908   3.159
  147    HA   ALA  19           HA       ALA  19  -4.545   9.714   4.641
  148   1HB   ALA  19          2HB       ALA  19  -2.917  11.211   3.397
  149   2HB   ALA  19          3HB       ALA  19  -3.760  10.792   1.903
  150   3HB   ALA  19          1HB       ALA  19  -4.634  11.632   3.183
  151    H    LEU  20           H        LEU  20  -4.434   8.024   1.527
  152    HA   LEU  20           HA       LEU  20  -7.258   8.268   0.958
  153   1HB   LEU  20          1HB       LEU  20  -5.679   7.718  -0.759
  154   2HB   LEU  20          2HB       LEU  20  -5.172   6.245   0.033
  155    HG   LEU  20           HG       LEU  20  -6.757   6.258  -2.063
  156   1HD1  LEU  20          2HD1      LEU  20  -6.022   4.218  -0.920
  157   2HD1  LEU  20          3HD1      LEU  20  -7.443   4.317   0.150
  158   3HD1  LEU  20          1HD1      LEU  20  -7.643   4.104  -1.596
  159   1HD2  LEU  20          2HD2      LEU  20  -8.802   6.542   0.138
  160   2HD2  LEU  20          3HD2      LEU  20  -8.564   7.596  -1.260
  161   3HD2  LEU  20          1HD2      LEU  20  -9.150   5.922  -1.463
  162    H    LEU  21           H        LEU  21  -5.366   5.490   2.253
  163    HA   LEU  21           HA       LEU  21  -7.636   3.972   3.006
  164   1HB   LEU  21          1HB       LEU  21  -4.743   4.031   3.867
  165   2HB   LEU  21          2HB       LEU  21  -5.877   2.932   4.630
  166    HG   LEU  21           HG       LEU  21  -5.896   2.982   1.625
  167   1HD1  LEU  21          2HD1      LEU  21  -3.704   1.667   3.246
  168   2HD1  LEU  21          3HD1      LEU  21  -4.051   1.364   1.520
  169   3HD1  LEU  21          1HD1      LEU  21  -3.535   2.971   2.043
  170   1HD2  LEU  21          1HD2      LEU  21  -6.159   0.783   3.724
  171   2HD2  LEU  21          2HD2      LEU  21  -7.483   1.550   2.827
  172   3HD2  LEU  21          3HD2      LEU  21  -6.300   0.548   1.973
  173    H    SER  22           H        SER  22  -6.059   6.587   4.762
  174    HA   SER  22           HA       SER  22  -7.498   6.182   7.232
  175   1HB   SER  22          1HB       SER  22  -5.213   7.262   6.861
  176   2HB   SER  22          2HB       SER  22  -6.068   8.696   6.266
  177    HG   SER  22           HG       SER  22  -6.939   8.985   8.253
  178    H    SER  23           H        SER  23  -7.928   8.372   4.351
  179    HA   SER  23           HA       SER  23 -10.291   9.678   5.276
  180   1HB   SER  23          1HB       SER  23  -8.917  10.518   3.457
  181   2HB   SER  23          2HB       SER  23  -9.149   9.042   2.521
  182    HG   SER  23           HG       SER  23 -11.360  10.653   3.274
  183    H    LYS  24           H        LYS  24  -9.679   6.576   3.706
  184    HA   LYS  24           HA       LYS  24 -12.481   5.784   3.475
  185   1HB   LYS  24          1HB       LYS  24  -9.826   4.297   3.269
  186   2HB   LYS  24          2HB       LYS  24 -11.383   3.576   2.872
  187   1HG   LYS  24          1HG       LYS  24 -10.463   6.137   1.511
  188   2HG   LYS  24          2HG       LYS  24  -9.908   4.552   0.949
  189   1HD   LYS  24          1HD       LYS  24 -11.962   3.928   0.237
  190   2HD   LYS  24          2HD       LYS  24 -12.842   4.916   1.389
  191   1HE   LYS  24          1HE       LYS  24 -12.118   6.973   0.134
  192   2HE   LYS  24          2HE       LYS  24 -11.429   5.899  -1.107
  193   1HZ   LYS  24          3HZ       LYS  24 -14.248   5.800  -0.246
  194   2HZ   LYS  24          1HZ       LYS  24 -13.738   6.632  -1.569
  195   3HZ   LYS  24          2HZ       LYS  24 -13.536   4.977  -1.495
  196    H    GLY  25           H        GLY  25 -10.443   6.122   6.148
  197   1HA   GLY  25          1HA       GLY  25 -10.356   5.296   8.233
  198   2HA   GLY  25          2HA       GLY  25 -12.105   5.121   8.060
  199    H    VAL  26           H        VAL  26  -9.143   3.450   6.851
  200    HA   VAL  26           HA       VAL  26 -10.393   0.840   7.577
  201    HB   VAL  26           HB       VAL  26  -8.152   1.280   5.595
  202   1HG1  VAL  26          1HG1      VAL  26 -10.075  -1.001   6.091
  203   2HG1  VAL  26          2HG1      VAL  26  -8.978  -0.920   4.691
  204   3HG1  VAL  26          3HG1      VAL  26  -8.313  -1.014   6.315
  205   1HG2  VAL  26          3HG2      VAL  26 -11.149   1.131   4.984
  206   2HG2  VAL  26          1HG2      VAL  26 -10.073   2.507   4.677
  207   3HG2  VAL  26          2HG2      VAL  26  -9.859   1.020   3.763
  208    H    SER  27           H        SER  27  -9.077  -0.667   8.579
  209    HA   SER  27           HA       SER  27  -6.819   0.264  10.221
  210   1HB   SER  27          1HB       SER  27  -8.105  -2.476   9.833
  211   2HB   SER  27          2HB       SER  27  -6.869  -2.082  11.039
  212    HG   SER  27           HG       SER  27  -8.989  -2.041  11.873
  213    H    PHE  28           H        PHE  28  -4.856   0.445   9.192
  214    HA   PHE  28           HA       PHE  28  -4.070  -1.717   7.331
  215   1HB   PHE  28          1HB       PHE  28  -2.976  -0.157   5.823
  216   2HB   PHE  28          2HB       PHE  28  -4.711   0.090   5.863
  217    HD1  PHE  28           HD1      PHE  28  -5.684   2.120   6.826
  218    HD2  PHE  28           HD2      PHE  28  -1.416   1.583   6.720
  219    HE1  PHE  28           HE1      PHE  28  -5.375   4.537   7.258
  220    HE2  PHE  28           HE2      PHE  28  -1.104   4.007   7.087
  221    HZ   PHE  28           HZ       PHE  28  -3.091   5.495   7.390
  222    H    GLN  29           H        GLN  29  -1.998  -2.318   7.450
  223    HA   GLN  29           HA       GLN  29  -0.413  -1.578   9.768
  224   1HB   GLN  29          1HB       GLN  29  -1.072  -3.967   9.292
  225   2HB   GLN  29          2HB       GLN  29  -0.190  -3.890   7.782
  226   1HG   GLN  29          1HG       GLN  29   1.917  -3.437   8.960
  227   2HG   GLN  29          2HG       GLN  29   1.063  -3.299  10.499
  228   1HE2  GLN  29          2HE2      GLN  29   0.415  -6.896  10.746
  229   2HE2  GLN  29          1HE2      GLN  29  -0.323  -5.341  11.064
  230    H    GLU  30           H        GLU  30   0.470   0.189   9.132
  231    HA   GLU  30           HA       GLU  30   1.766   0.649   6.540
  232   1HB   GLU  30          1HB       GLU  30   1.159   2.352   8.648
  233   2HB   GLU  30          2HB       GLU  30   2.913   2.082   8.859
  234   1HG   GLU  30          1HG       GLU  30   3.206   2.597   6.430
  235   2HG   GLU  30          2HG       GLU  30   1.506   3.085   6.370
  236    H    LEU  31           H        LEU  31   3.880   0.219   5.962
  237    HA   LEU  31           HA       LEU  31   5.803  -0.898   7.933
  238   1HB   LEU  31          1HB       LEU  31   5.349  -1.700   5.030
  239   2HB   LEU  31          2HB       LEU  31   6.763  -2.118   5.970
  240    HG   LEU  31           HG       LEU  31   5.480  -3.970   5.882
  241   1HD1  LEU  31          2HD1      LEU  31   6.375  -3.461   8.168
  242   2HD1  LEU  31          3HD1      LEU  31   4.771  -2.874   8.619
  243   3HD1  LEU  31          1HD1      LEU  31   4.985  -4.569   8.179
  244   1HD2  LEU  31          2HD2      LEU  31   3.315  -2.949   5.218
  245   2HD2  LEU  31          3HD2      LEU  31   3.198  -4.306   6.355
  246   3HD2  LEU  31          1HD2      LEU  31   3.003  -2.655   6.943
  247    HA   PRO  32           HA       PRO  32   7.885   2.774   5.972
  248   1HB   PRO  32          1HB       PRO  32   9.842   3.045   7.867
  249   2HB   PRO  32          2HB       PRO  32   8.212   3.755   8.040
  250   1HG   PRO  32          1HG       PRO  32   9.232   1.127   9.167
  251   2HG   PRO  32          2HG       PRO  32   8.367   2.416  10.037
  252   1HD   PRO  32          1HD       PRO  32   7.057   0.247   9.101
  253   2HD   PRO  32          2HD       PRO  32   6.297   1.861   8.975
  254    H    ILE  33           H        ILE  33   9.324   2.362   4.468
  255    HA   ILE  33           HA       ILE  33  11.471   0.344   4.934
  256    HB   ILE  33           HB       ILE  33  11.561   0.391   2.334
  257   1HG1  ILE  33          1HG1      ILE  33   8.585   0.782   2.666
  258   2HG1  ILE  33          2HG1      ILE  33   9.712   1.978   1.977
  259   1HG2  ILE  33          1HG2      ILE  33  11.252  -1.525   3.921
  260   2HG2  ILE  33          2HG2      ILE  33   9.520  -1.185   3.951
  261   3HG2  ILE  33          3HG2      ILE  33  10.309  -1.750   2.453
  262   1HD1  ILE  33          1HD1      ILE  33   9.220  -0.808   0.849
  263   2HD1  ILE  33          2HD1      ILE  33   8.548   0.696   0.251
  264   3HD1  ILE  33          3HD1      ILE  33  10.304   0.434   0.174
  265    H    ASP  34           H        ASP  34  11.068   3.492   5.320
  266    HA   ASP  34           HA       ASP  34  13.593   4.220   3.981
  267   1HB   ASP  34          1HB       ASP  34  13.354   6.385   5.160
  268   2HB   ASP  34          2HB       ASP  34  11.969   6.045   4.141
  269    H    GLY  35           H        GLY  35  15.402   4.885   5.484
  270   1HA   GLY  35          1HA       GLY  35  16.869   4.421   7.147
  271   2HA   GLY  35          2HA       GLY  35  15.554   3.812   8.168
  272    H    ASN  36           H        ASN  36  15.762   2.337   5.001
  273    HA   ASN  36           HA       ASN  36  17.191  -0.047   5.953
  274   1HB   ASN  36          1HB       ASN  36  15.247  -0.863   6.744
  275   2HB   ASN  36          2HB       ASN  36  14.268   0.395   6.047
  276   1HD2  ASN  36          2HD2      ASN  36  13.313  -1.331   3.100
  277   2HD2  ASN  36          1HD2      ASN  36  13.734   0.237   3.728
  278    H    ALA  37           H        ALA  37  17.501  -1.613   4.244
  279    HA   ALA  37           HA       ALA  37  16.596  -0.821   1.541
  280   1HB   ALA  37          3HB       ALA  37  18.991  -0.146   1.733
  281   2HB   ALA  37          1HB       ALA  37  19.394  -1.850   2.069
  282   3HB   ALA  37          2HB       ALA  37  18.697  -1.394   0.508
  283    H    ALA  38           H        ALA  38  17.350  -3.334   3.828
  284    HA   ALA  38           HA       ALA  38  17.259  -5.556   2.049
  285   1HB   ALA  38          3HB       ALA  38  18.197  -5.738   4.306
  286   2HB   ALA  38          1HB       ALA  38  16.588  -5.494   5.020
  287   3HB   ALA  38          2HB       ALA  38  16.920  -6.942   4.054
  288    H    LYS  39           H        LYS  39  14.617  -4.415   4.246
  289    HA   LYS  39           HA       LYS  39  12.639  -6.099   3.010
  290   1HB   LYS  39          1HB       LYS  39  12.432  -5.346   5.300
  291   2HB   LYS  39          2HB       LYS  39  12.387  -3.648   4.807
  292   1HG   LYS  39          1HG       LYS  39  10.219  -3.929   3.760
  293   2HG   LYS  39          2HG       LYS  39  10.304  -5.681   3.930
  294   1HD   LYS  39          1HD       LYS  39   8.853  -4.932   5.666
  295   2HD   LYS  39          2HD       LYS  39  10.375  -5.380   6.426
  296   1HE   LYS  39          1HE       LYS  39  11.000  -2.859   6.302
  297   2HE   LYS  39          2HE       LYS  39   9.304  -2.580   5.865
  298   1HZ   LYS  39          1HZ       LYS  39   8.823  -3.877   8.002
  299   2HZ   LYS  39          2HZ       LYS  39  10.396  -3.659   8.375
  300   3HZ   LYS  39          3HZ       LYS  39   9.443  -2.362   8.205
  301    H    ARG  40           H        ARG  40  13.756  -2.835   2.372
  302    HA   ARG  40           HA       ARG  40  11.740  -2.034   0.478
  303   1HB   ARG  40          1HB       ARG  40  13.328  -0.382   1.102
  304   2HB   ARG  40          2HB       ARG  40  14.692  -1.418   0.762
  305   1HG   ARG  40          1HG       ARG  40  14.529   0.342  -0.888
  306   2HG   ARG  40          2HG       ARG  40  14.375  -1.244  -1.608
  307   1HD   ARG  40          1HD       ARG  40  11.814  -0.845  -1.629
  308   2HD   ARG  40          2HD       ARG  40  12.190   0.824  -1.178
  309    HE   ARG  40           HE       ARG  40  13.399  -0.540  -3.561
  310   1HH1  ARG  40          2HH2      ARG  40  11.738   2.343  -2.280
  311   2HH1  ARG  40          1HH2      ARG  40  12.182   3.269  -3.692
  312   1HH2  ARG  40          2HH1      ARG  40  13.933   0.700  -5.263
  313   2HH2  ARG  40          1HH1      ARG  40  13.431   2.396  -5.345
  314    H    GLU  41           H        GLU  41  14.812  -3.877  -0.047
  315    HA   GLU  41           HA       GLU  41  14.164  -4.349  -2.788
  316   1HB   GLU  41          1HB       GLU  41  16.154  -5.601  -0.888
  317   2HB   GLU  41          2HB       GLU  41  15.966  -6.131  -2.571
  318   1HG   GLU  41          1HG       GLU  41  16.321  -3.807  -3.364
  319   2HG   GLU  41          2HG       GLU  41  16.579  -3.266  -1.706
  320    H    GLU  42           H        GLU  42  13.496  -6.261   0.175
  321    HA   GLU  42           HA       GLU  42  12.565  -8.605  -1.094
  322   1HB   GLU  42          1HB       GLU  42  13.076  -8.369   1.309
  323   2HB   GLU  42          2HB       GLU  42  11.658  -7.339   1.531
  324   1HG   GLU  42          1HG       GLU  42  10.144  -9.091   1.262
  325   2HG   GLU  42          2HG       GLU  42  11.270 -10.035   0.285
  326    H    MET  43           H        MET  43  10.891  -5.547  -0.337
  327    HA   MET  43           HA       MET  43   8.288  -6.306  -1.137
  328   1HB   MET  43          1HB       MET  43   8.747  -4.220   0.105
  329   2HB   MET  43          2HB       MET  43   9.739  -3.629  -1.208
  330   1HG   MET  43          1HG       MET  43   7.579  -3.738  -2.670
  331   2HG   MET  43          2HG       MET  43   6.749  -3.846  -1.130
  332   1HE   MET  43          2HE       MET  43   8.580  -1.724  -3.780
  333   2HE   MET  43          3HE       MET  43   9.125  -0.280  -2.909
  334   3HE   MET  43          1HE       MET  43   9.898  -1.844  -2.594
  335    H    ILE  44           H        ILE  44  11.081  -5.232  -3.194
  336    HA   ILE  44           HA       ILE  44   9.533  -4.625  -5.503
  337    HB   ILE  44           HB       ILE  44  12.300  -5.835  -5.390
  338   1HG1  ILE  44          1HG1      ILE  44  12.361  -4.045  -3.838
  339   2HG1  ILE  44          2HG1      ILE  44  13.352  -3.694  -5.225
  340   1HG2  ILE  44          1HG2      ILE  44  11.372  -5.642  -7.672
  341   2HG2  ILE  44          2HG2      ILE  44  11.031  -3.922  -7.407
  342   3HG2  ILE  44          3HG2      ILE  44  12.708  -4.504  -7.464
  343   1HD1  ILE  44          2HD1      ILE  44  10.542  -2.581  -5.123
  344   2HD1  ILE  44          3HD1      ILE  44  11.819  -1.865  -4.142
  345   3HD1  ILE  44          1HD1      ILE  44  12.028  -1.935  -5.893
  346    H    LYS  45           H        LYS  45  11.280  -7.606  -4.511
  347    HA   LYS  45           HA       LYS  45  10.138  -9.197  -6.628
  348   1HB   LYS  45          1HB       LYS  45  11.828  -9.761  -4.172
  349   2HB   LYS  45          2HB       LYS  45  11.081 -11.087  -5.075
  350   1HG   LYS  45          1HG       LYS  45  12.084 -10.291  -7.172
  351   2HG   LYS  45          2HG       LYS  45  12.849  -8.948  -6.304
  352   1HD   LYS  45          1HD       LYS  45  14.348 -10.415  -5.148
  353   2HD   LYS  45          2HD       LYS  45  13.375 -11.835  -5.550
  354   1HE   LYS  45          1HE       LYS  45  15.334 -11.849  -6.973
  355   2HE   LYS  45          2HE       LYS  45  13.886 -11.559  -7.945
  356   1HZ   LYS  45          1HZ       LYS  45  14.481  -9.135  -7.790
  357   2HZ   LYS  45          2HZ       LYS  45  15.907  -9.564  -7.132
  358   3HZ   LYS  45          3HZ       LYS  45  15.536 -10.024  -8.660
  359    H    ARG  46           H        ARG  46   8.804  -8.301  -3.491
  360    HA   ARG  46           HA       ARG  46   6.811 -10.448  -3.887
  361   1HB   ARG  46          1HB       ARG  46   6.218 -10.466  -1.814
  362   2HB   ARG  46          2HB       ARG  46   7.868  -9.901  -1.650
  363   1HG   ARG  46          1HG       ARG  46   6.728  -7.513  -1.647
  364   2HG   ARG  46          2HG       ARG  46   5.257  -8.411  -1.305
  365   1HD   ARG  46          1HD       ARG  46   7.481  -9.351   0.382
  366   2HD   ARG  46          2HD       ARG  46   7.257  -7.619   0.538
  367    HE   ARG  46           HE       ARG  46   4.726  -8.383   0.838
  368   1HH1  ARG  46          2HH2      ARG  46   7.473 -10.177   2.223
  369   2HH1  ARG  46          1HH2      ARG  46   6.874 -10.046   3.853
  370   1HH2  ARG  46          2HH1      ARG  46   3.909  -8.384   2.951
  371   2HH2  ARG  46          1HH1      ARG  46   4.781  -9.075   4.267
  372    H    SER  47           H        SER  47   7.186  -7.401  -5.194
  373    HA   SER  47           HA       SER  47   4.229  -7.001  -5.327
  374   1HB   SER  47          1HB       SER  47   4.785  -4.639  -5.856
  375   2HB   SER  47          2HB       SER  47   5.227  -5.120  -4.218
  376    HG   SER  47           HG       SER  47   7.338  -5.245  -4.835
  377    H    GLY  48           H        GLY  48   7.201  -6.475  -7.267
  378   1HA   GLY  48          1HA       GLY  48   7.302  -7.260  -9.571
  379   2HA   GLY  48          2HA       GLY  48   5.591  -6.885  -9.756
  380    H    ARG  49           H        ARG  49   6.898  -4.345  -7.881
  381    HA   ARG  49           HA       ARG  49   7.822  -2.784 -10.220
  382   1HB   ARG  49          1HB       ARG  49   5.283  -2.307  -8.680
  383   2HB   ARG  49          2HB       ARG  49   6.267  -0.900  -9.074
  384   1HG   ARG  49          1HG       ARG  49   6.069  -1.327 -11.446
  385   2HG   ARG  49          2HG       ARG  49   5.186  -2.846 -11.150
  386   1HD   ARG  49          1HD       ARG  49   3.444  -1.628  -9.940
  387   2HD   ARG  49          2HD       ARG  49   4.310  -0.097 -10.135
  388    HE   ARG  49           HE       ARG  49   3.928  -0.885 -12.720
  389   1HH1  ARG  49          2HH2      ARG  49   1.790  -0.455  -9.931
  390   2HH1  ARG  49          1HH2      ARG  49   0.384  -0.021 -10.819
  391   1HH2  ARG  49          2HH1      ARG  49   2.113  -0.071 -13.990
  392   2HH2  ARG  49          1HH1      ARG  49   0.642   0.317 -13.212
  393    H    THR  50           H        THR  50   9.119  -1.057  -9.616
  394    HA   THR  50           HA       THR  50  10.398  -1.425  -7.064
  395    HB   THR  50           HB       THR  50  10.912   0.033  -9.611
  396    HG1  THR  50           HG1      THR  50  11.571  -2.127  -9.318
  397   1HG2  THR  50          2HG2      THR  50  12.574   0.420  -7.105
  398   2HG2  THR  50          3HG2      THR  50  13.059   0.898  -8.741
  399   3HG2  THR  50          1HG2      THR  50  11.688   1.704  -7.967
  400    H    THR  51           H        THR  51   8.055   0.935  -8.395
  401    HA   THR  51           HA       THR  51   8.757   2.995  -6.610
  402    HB   THR  51           HB       THR  51   6.362   3.780  -7.357
  403    HG1  THR  51           HG1      THR  51   5.561   1.802  -8.134
  404   1HG2  THR  51          1HG2      THR  51   8.506   4.617  -8.284
  405   2HG2  THR  51          2HG2      THR  51   8.530   3.267  -9.438
  406   3HG2  THR  51          3HG2      THR  51   7.250   4.493  -9.525
  407    H    VAL  52           H        VAL  52   7.822   3.781  -4.773
  408    HA   VAL  52           HA       VAL  52   5.956   2.041  -3.262
  409    HB   VAL  52           HB       VAL  52   6.583   3.402  -1.299
  410   1HG1  VAL  52          3HG1      VAL  52   7.823   1.368  -1.792
  411   2HG1  VAL  52          1HG1      VAL  52   9.027   2.309  -2.710
  412   3HG1  VAL  52          2HG1      VAL  52   8.817   2.593  -0.967
  413   1HG2  VAL  52          2HG2      VAL  52   7.201   5.528  -2.450
  414   2HG2  VAL  52          3HG2      VAL  52   8.332   4.941  -1.228
  415   3HG2  VAL  52          1HG2      VAL  52   8.728   4.739  -2.942
  416    HA   PRO  53           HA       PRO  53   4.666   2.699  -1.240
  417   1HB   PRO  53          1HB       PRO  53   2.047   2.772  -0.643
  418   2HB   PRO  53          2HB       PRO  53   3.145   4.125  -0.228
  419   1HG   PRO  53          1HG       PRO  53   1.243   3.889  -2.552
  420   2HG   PRO  53          2HG       PRO  53   1.561   5.313  -1.496
  421   1HD   PRO  53          1HD       PRO  53   2.694   4.958  -3.979
  422   2HD   PRO  53          2HD       PRO  53   3.424   5.932  -2.664
  423    H    GLN  54           H        GLN  54   3.577   0.599  -0.920
  424    HA   GLN  54           HA       GLN  54   2.405  -0.578  -3.347
  425   1HB   GLN  54          1HB       GLN  54   4.672  -1.811  -1.722
  426   2HB   GLN  54          2HB       GLN  54   3.725  -2.673  -2.928
  427   1HG   GLN  54          1HG       GLN  54   5.485  -0.269  -3.543
  428   2HG   GLN  54          2HG       GLN  54   5.996  -1.948  -3.667
  429   1HE2  GLN  54          2HE2      GLN  54   5.029  -1.890  -7.053
  430   2HE2  GLN  54          1HE2      GLN  54   6.333  -2.139  -5.939
  431    H    ILE  55           H        ILE  55   0.459  -1.565  -2.747
  432    HA   ILE  55           HA       ILE  55   0.022  -1.828   0.157
  433    HB   ILE  55           HB       ILE  55  -1.881  -1.228  -2.155
  434   1HG1  ILE  55          1HG1      ILE  55  -2.114   0.824  -0.294
  435   2HG1  ILE  55          2HG1      ILE  55  -0.426   0.441  -0.135
  436   1HG2  ILE  55          3HG2      ILE  55  -2.944  -2.669  -0.427
  437   2HG2  ILE  55          1HG2      ILE  55  -2.485  -1.493   0.823
  438   3HG2  ILE  55          2HG2      ILE  55  -3.640  -1.068  -0.451
  439   1HD1  ILE  55          3HD1      ILE  55  -1.820   1.199  -2.730
  440   2HD1  ILE  55          1HD1      ILE  55  -0.805   2.258  -1.738
  441   3HD1  ILE  55          2HD1      ILE  55  -0.081   0.869  -2.561
  442    H    PHE  56           H        PHE  56  -0.909  -3.738   0.829
  443    HA   PHE  56           HA       PHE  56  -1.158  -5.937  -1.123
  444   1HB   PHE  56          1HB       PHE  56   0.456  -5.910   1.454
  445   2HB   PHE  56          2HB       PHE  56  -0.158  -7.392   0.737
  446    HD1  PHE  56           HD1      PHE  56   2.075  -4.439   0.081
  447    HD2  PHE  56           HD2      PHE  56   0.967  -8.455  -1.032
  448    HE1  PHE  56           HE1      PHE  56   3.948  -4.512  -1.553
  449    HE2  PHE  56           HE2      PHE  56   2.824  -8.547  -2.601
  450    HZ   PHE  56           HZ       PHE  56   4.276  -6.531  -2.966
  451    H    ILE  57           H        ILE  57  -2.899  -7.225  -0.644
  452    HA   ILE  57           HA       ILE  57  -4.281  -6.792   1.955
  453    HB   ILE  57           HB       ILE  57  -5.715  -6.700  -0.728
  454   1HG1  ILE  57          1HG1      ILE  57  -5.283  -4.563   1.414
  455   2HG1  ILE  57          2HG1      ILE  57  -4.571  -4.560  -0.185
  456   1HG2  ILE  57          2HG2      ILE  57  -6.949  -7.913   1.116
  457   2HG2  ILE  57          3HG2      ILE  57  -6.805  -6.461   2.118
  458   3HG2  ILE  57          1HG2      ILE  57  -7.761  -6.438   0.617
  459   1HD1  ILE  57          3HD1      ILE  57  -6.884  -4.409  -1.177
  460   2HD1  ILE  57          1HD1      ILE  57  -7.499  -4.163   0.477
  461   3HD1  ILE  57          2HD1      ILE  57  -6.354  -3.009  -0.219
  462    H    ASP  58           H        ASP  58  -4.432  -8.735   2.871
  463    HA   ASP  58           HA       ASP  58  -4.078 -10.988   3.146
  464   1HB   ASP  58          1HB       ASP  58  -6.029 -10.958   0.863
  465   2HB   ASP  58          2HB       ASP  58  -5.595 -12.441   1.705
  466    H    ALA  59           H        ALA  59  -2.138  -9.813   1.887
  467    HA   ALA  59           HA       ALA  59  -0.117 -10.140   0.977
  468   1HB   ALA  59          1HB       ALA  59  -0.172 -12.265   2.201
  469   2HB   ALA  59          2HB       ALA  59  -0.832 -13.077   0.761
  470   3HB   ALA  59          3HB       ALA  59   0.790 -12.364   0.719
  471    H    GLN  60           H        GLN  60  -2.795 -10.282  -1.038
  472    HA   GLN  60           HA       GLN  60  -1.094 -10.716  -3.436
  473   1HB   GLN  60          1HB       GLN  60  -2.925 -10.349  -4.816
  474   2HB   GLN  60          2HB       GLN  60  -3.390 -11.506  -3.600
  475   1HG   GLN  60          1HG       GLN  60  -4.245  -8.924  -2.648
  476   2HG   GLN  60          2HG       GLN  60  -4.608  -8.975  -4.355
  477   1HE2  GLN  60          2HE2      GLN  60  -6.797 -11.284  -1.755
  478   2HE2  GLN  60          1HE2      GLN  60  -5.388 -10.349  -1.204
  479    H    HIS  61           H        HIS  61  -0.294  -9.054  -4.678
  480    HA   HIS  61           HA       HIS  61  -0.056  -6.464  -3.316
  481   1HB   HIS  61          1HB       HIS  61   1.895  -7.565  -4.505
  482   2HB   HIS  61          2HB       HIS  61   0.981  -7.544  -5.997
  483    HD1  HIS  61           HD1      HIS  61   2.151  -5.848  -7.505
  484    HD2  HIS  61           HD2      HIS  61   1.571  -4.587  -3.495
  485    HE1  HIS  61           HE1      HIS  61   2.900  -3.394  -7.370
  486    HE2  HIS  61           HE2      HIS  61   2.429  -2.577  -5.033
  487    H    ILE  62           H        ILE  62  -1.075  -4.546  -4.040
  488    HA   ILE  62           HA       ILE  62  -3.307  -4.880  -5.884
  489    HB   ILE  62           HB       ILE  62  -2.275  -2.313  -4.618
  490   1HG1  ILE  62          1HG1      ILE  62  -2.649  -3.728  -2.782
  491   2HG1  ILE  62          2HG1      ILE  62  -4.046  -2.711  -2.890
  492   1HG2  ILE  62          2HG2      ILE  62  -4.989  -3.064  -5.789
  493   2HG2  ILE  62          3HG2      ILE  62  -4.641  -1.582  -4.879
  494   3HG2  ILE  62          1HG2      ILE  62  -3.845  -1.874  -6.429
  495   1HD1  ILE  62          2HD1      ILE  62  -5.355  -4.539  -3.987
  496   2HD1  ILE  62          3HD1      ILE  62  -3.960  -5.626  -3.785
  497   3HD1  ILE  62          1HD1      ILE  62  -4.774  -4.969  -2.375
  498    H    GLY  63           H        GLY  63  -0.421  -2.675  -5.975
  499   1HA   GLY  63          1HA       GLY  63   0.638  -3.271  -8.418
  500   2HA   GLY  63          2HA       GLY  63  -0.791  -2.363  -8.882
  501    H    GLY  64           H        GLY  64  -1.063  -0.364  -7.204
  502   1HA   GLY  64          1HA       GLY  64   1.371   1.106  -6.570
  503   2HA   GLY  64          2HA       GLY  64   0.425   1.708  -7.948
  504    H    TYR  65           H        TYR  65   0.158   3.596  -6.485
  505    HA   TYR  65           HA       TYR  65  -1.882   3.444  -4.316
  506   1HB   TYR  65          1HB       TYR  65   0.048   5.055  -3.959
  507   2HB   TYR  65          2HB       TYR  65  -0.240   5.681  -5.560
  508    HD1  TYR  65           HD2      TYR  65  -2.968   4.935  -3.092
  509    HD2  TYR  65           HD1      TYR  65  -0.537   7.961  -4.999
  510    HE1  TYR  65           HE2      TYR  65  -4.466   6.661  -2.271
  511    HE2  TYR  65           HE1      TYR  65  -2.060   9.697  -4.201
  512    HH   TYR  65           HH       TYR  65  -4.102  10.115  -3.149
  513    H    ASP  66           H        ASP  66  -1.360   5.007  -7.541
  514    HA   ASP  66           HA       ASP  66  -4.052   6.022  -7.780
  515   1HB   ASP  66          1HB       ASP  66  -1.726   5.543  -9.643
  516   2HB   ASP  66          2HB       ASP  66  -3.324   5.656 -10.352
  517    H    ASP  67           H        ASP  67  -2.550   2.930  -8.274
  518    HA   ASP  67           HA       ASP  67  -4.769   1.574  -9.547
  519   1HB   ASP  67          1HB       ASP  67  -2.468   0.540  -7.876
  520   2HB   ASP  67          2HB       ASP  67  -3.662  -0.498  -8.632
  521    H    LEU  68           H        LEU  68  -3.771   1.931  -6.015
  522    HA   LEU  68           HA       LEU  68  -5.858   0.231  -5.091
  523   1HB   LEU  68          1HB       LEU  68  -3.868   0.759  -3.706
  524   2HB   LEU  68          2HB       LEU  68  -4.348   2.460  -3.660
  525    HG   LEU  68           HG       LEU  68  -6.538   1.743  -2.525
  526   1HD1  LEU  68          1HD1      LEU  68  -5.059  -0.911  -2.474
  527   2HD1  LEU  68          2HD1      LEU  68  -6.395  -0.541  -1.396
  528   3HD1  LEU  68          3HD1      LEU  68  -6.680  -0.602  -3.139
  529   1HD2  LEU  68          2HD2      LEU  68  -4.576   2.623  -1.283
  530   2HD2  LEU  68          3HD2      LEU  68  -5.661   1.549  -0.375
  531   3HD2  LEU  68          1HD2      LEU  68  -4.108   0.947  -0.981
  532    H    TYR  69           H        TYR  69  -5.605   3.765  -5.370
  533    HA   TYR  69           HA       TYR  69  -8.088   4.458  -4.165
  534   1HB   TYR  69          1HB       TYR  69  -6.376   6.114  -4.929
  535   2HB   TYR  69          2HB       TYR  69  -6.739   5.751  -6.600
  536    HD1  TYR  69           HD2      TYR  69  -8.798   6.563  -3.531
  537    HD2  TYR  69           HD1      TYR  69  -8.087   7.326  -7.695
  538    HE1  TYR  69           HE2      TYR  69 -10.544   8.329  -3.487
  539    HE2  TYR  69           HE1      TYR  69  -9.793   9.102  -7.675
  540    HH   TYR  69           HH       TYR  69 -11.780   9.855  -4.794
  541    H    ALA  70           H        ALA  70  -7.465   3.697  -7.624
  542    HA   ALA  70           HA       ALA  70 -10.255   3.944  -8.367
  543   1HB   ALA  70          1HB       ALA  70  -8.412   4.099 -10.013
  544   2HB   ALA  70          2HB       ALA  70  -8.019   2.387  -9.706
  545   3HB   ALA  70          3HB       ALA  70  -9.575   2.829 -10.443
  546    H    LEU  71           H        LEU  71  -8.214   1.260  -7.258
  547    HA   LEU  71           HA       LEU  71 -10.158  -0.822  -7.660
  548   1HB   LEU  71          1HB       LEU  71  -7.608  -1.006  -7.117
  549   2HB   LEU  71          2HB       LEU  71  -8.107  -0.908  -5.442
  550    HG   LEU  71           HG       LEU  71  -7.752  -3.163  -6.112
  551   1HD1  LEU  71          1HD1      LEU  71  -9.504  -2.813  -4.509
  552   2HD1  LEU  71          2HD1      LEU  71 -10.667  -3.001  -5.859
  553   3HD1  LEU  71          3HD1      LEU  71  -9.601  -4.339  -5.410
  554   1HD2  LEU  71          2HD2      LEU  71  -8.190  -2.939  -8.563
  555   2HD2  LEU  71          3HD2      LEU  71  -8.928  -4.370  -7.839
  556   3HD2  LEU  71          1HD2      LEU  71  -9.933  -2.959  -8.216
  557    H    ASP  72           H        ASP  72  -9.541   1.452  -4.925
  558    HA   ASP  72           HA       ASP  72 -11.659   0.370  -3.271
  559   1HB   ASP  72          1HB       ASP  72  -9.964   1.903  -2.336
  560   2HB   ASP  72          2HB       ASP  72 -10.544   3.204  -3.374
  561    H    ALA  73           H        ALA  73 -11.494   3.109  -5.496
  562    HA   ALA  73           HA       ALA  73 -14.103   3.925  -5.116
  563   1HB   ALA  73          1HB       ALA  73 -12.329   5.326  -6.080
  564   2HB   ALA  73          2HB       ALA  73 -12.346   4.334  -7.562
  565   3HB   ALA  73          3HB       ALA  73 -13.762   5.303  -7.125
  566    H    ARG  74           H        ARG  74 -13.020   1.501  -7.373
  567    HA   ARG  74           HA       ARG  74 -15.617   1.116  -8.641
  568   1HB   ARG  74          1HB       ARG  74 -14.608  -0.631  -9.775
  569   2HB   ARG  74          2HB       ARG  74 -13.318   0.528  -9.568
  570   1HG   ARG  74          1HG       ARG  74 -12.034  -1.011  -8.622
  571   2HG   ARG  74          2HG       ARG  74 -13.164  -1.267  -7.324
  572   1HD   ARG  74          1HD       ARG  74 -13.493  -2.648  -9.999
  573   2HD   ARG  74          2HD       ARG  74 -12.418  -3.250  -8.735
  574    HE   ARG  74           HE       ARG  74 -15.325  -2.792  -8.238
  575   1HH1  ARG  74          2HH2      ARG  74 -12.629  -5.103  -8.429
  576   2HH1  ARG  74          1HH2      ARG  74 -13.458  -6.376  -7.635
  577   1HH2  ARG  74          2HH1      ARG  74 -16.488  -4.579  -7.307
  578   2HH2  ARG  74          1HH1      ARG  74 -15.621  -5.990  -6.785
  579    H    GLY  75           H        GLY  75 -14.492   0.435  -5.567
  580   1HA   GLY  75          1HA       GLY  75 -15.464  -0.650  -3.799
  581   2HA   GLY  75          2HA       GLY  75 -16.787  -1.168  -4.851
  582    H    GLY  76           H        GLY  76 -13.105  -1.810  -5.193
  583   1HA   GLY  76          1HA       GLY  76 -13.785  -4.669  -4.832
  584   2HA   GLY  76          2HA       GLY  76 -12.431  -4.033  -5.741
  585    H    LEU  77           H        LEU  77 -11.806  -1.871  -3.670
  586    HA   LEU  77           HA       LEU  77 -10.283  -3.518  -1.815
  587   1HB   LEU  77          1HB       LEU  77  -9.700  -1.127  -2.606
  588   2HB   LEU  77          2HB       LEU  77 -10.928  -0.548  -1.497
  589    HG   LEU  77           HG       LEU  77  -8.288  -1.819  -0.867
  590   1HD1  LEU  77          1HD1      LEU  77  -8.456   0.628  -1.274
  591   2HD1  LEU  77          2HD1      LEU  77  -9.656   0.760   0.024
  592   3HD1  LEU  77          3HD1      LEU  77  -7.987   0.280   0.396
  593   1HD2  LEU  77          1HD2      LEU  77 -10.516  -1.383   1.160
  594   2HD2  LEU  77          2HD2      LEU  77  -9.672  -2.909   0.788
  595   3HD2  LEU  77          3HD2      LEU  77  -8.804  -1.603   1.573
  596    H    ASP  78           H        ASP  78 -13.095  -1.319  -1.534
  597    HA   ASP  78           HA       ASP  78 -13.639  -1.581   1.094
  598   1HB   ASP  78          1HB       ASP  78 -15.088  -0.053   0.423
  599   2HB   ASP  78          2HB       ASP  78 -14.962  -0.570  -1.240
  600    HA   PRO  79           HA       PRO  79 -16.296  -5.468   0.870
  601   1HB   PRO  79          1HB       PRO  79 -15.565  -6.858  -1.656
  602   2HB   PRO  79          2HB       PRO  79 -17.183  -6.609  -0.928
  603   1HG   PRO  79          1HG       PRO  79 -16.371  -5.266  -3.153
  604   2HG   PRO  79          2HG       PRO  79 -17.364  -4.450  -1.899
  605   1HD   PRO  79          1HD       PRO  79 -14.383  -4.345  -2.242
  606   2HD   PRO  79          2HD       PRO  79 -15.519  -2.996  -2.012
  607    H    LEU  80           H        LEU  80 -13.057  -5.440  -0.657
  608    HA   LEU  80           HA       LEU  80 -12.473  -8.206   0.166
  609   1HB   LEU  80          1HB       LEU  80 -10.802  -6.131  -1.262
  610   2HB   LEU  80          2HB       LEU  80 -10.160  -7.673  -0.747
  611    HG   LEU  80           HG       LEU  80 -12.543  -7.420  -2.631
  612   1HD1  LEU  80          1HD1      LEU  80 -10.349  -6.605  -3.607
  613   2HD1  LEU  80          2HD1      LEU  80  -9.681  -8.214  -3.291
  614   3HD1  LEU  80          3HD1      LEU  80 -11.032  -8.018  -4.424
  615   1HD2  LEU  80          1HD2      LEU  80 -10.881  -9.836  -1.797
  616   2HD2  LEU  80          2HD2      LEU  80 -12.613  -9.573  -1.495
  617   3HD2  LEU  80          3HD2      LEU  80 -12.044  -9.815  -3.135
  618    H    LEU  81           H        LEU  81 -12.257  -5.122   1.593
  619    HA   LEU  81           HA       LEU  81 -10.281  -5.641   3.600
  620   1HB   LEU  81          1HB       LEU  81 -11.154  -3.436   3.022
  621   2HB   LEU  81          2HB       LEU  81 -12.780  -3.894   3.476
  622    HG   LEU  81           HG       LEU  81 -11.505  -2.360   4.987
  623   1HD1  LEU  81          2HD1      LEU  81 -13.578  -3.371   5.692
  624   2HD1  LEU  81          3HD1      LEU  81 -12.724  -4.773   6.354
  625   3HD1  LEU  81          1HD1      LEU  81 -12.450  -3.168   7.039
  626   1HD2  LEU  81          1HD2      LEU  81  -9.353  -3.445   5.042
  627   2HD2  LEU  81          2HD2      LEU  81  -9.999  -3.322   6.685
  628   3HD2  LEU  81          3HD2      LEU  81 -10.013  -4.872   5.843
  629    H    LYS  82           H        LYS  82 -13.654  -6.686   3.164
  630    HA   LYS  82           HA       LYS  82 -13.849  -7.644   5.948
  631   1HB   LYS  82          1HB       LYS  82 -15.674  -6.391   4.316
  632   2HB   LYS  82          2HB       LYS  82 -16.065  -8.059   3.948
  633   1HG   LYS  82          1HG       LYS  82 -16.025  -6.732   6.693
  634   2HG   LYS  82          2HG       LYS  82 -17.463  -7.114   5.754
  635   1HD   LYS  82          1HD       LYS  82 -15.509  -9.143   6.917
  636   2HD   LYS  82          2HD       LYS  82 -17.057  -8.707   7.613
  637   1HE   LYS  82          1HE       LYS  82 -16.748  -9.958   4.845
  638   2HE   LYS  82          2HE       LYS  82 -17.042 -10.865   6.330
  639   1HZ   LYS  82          2HZ       LYS  82 -19.095  -9.473   6.600
  640   2HZ   LYS  82          3HZ       LYS  82 -18.895  -8.928   5.067
  641   3HZ   LYS  82          1HZ       LYS  82 -19.128 -10.510   5.341
  642   1HB2  GTT  83          1HB2      GTT  83   8.594   7.034  -3.553
  643   2HB2  GTT  83          2HB2      GTT  83   9.927   8.129  -3.876
  644    HA2  GTT  83           HA2      GTT  83   9.441   8.162  -6.239
  645    HN2  GTT  83           HN2      GTT  83   6.832   7.044  -5.395
  646   1HG1  GTT  83          1HG1      GTT  83   5.120   7.380  -6.763
  647   2HG1  GTT  83          2HG1      GTT  83   5.459   6.419  -8.207
  648   1HB1  GTT  83          1HB1      GTT  83   5.871   8.468  -9.507
  649   2HB1  GTT  83          2HB1      GTT  83   5.712   9.450  -8.053
  650    HA1  GTT  83           HA1      GTT  83   3.336   8.822  -7.860
  651   1HN1  GTT  83          1HN1      GTT  83   3.785   7.479 -10.429
  652   2HN1  GTT  83          2HN1      GTT  83   3.191   6.796  -9.055
  653   3HN1  GTT  83          3HN1      GTT  83   2.310   7.927  -9.894
  654    HN3  GTT  83           HN3      GTT  83  11.355   6.742  -6.351
  655   1HA3  GTT  83          1HA3      GTT  83  10.948   3.858  -5.753
  656   2HA3  GTT  83          2HA3      GTT  83  11.341   4.353  -7.410
   
  No H/Q in entry =         656
  Start of MODEL   14
    1   1H    ALA   1          3H        ALA   1  -7.668  -9.847   7.301
    2   2H    ALA   1          1H        ALA   1  -8.545  -8.849   8.277
    3   3H    ALA   1          2H        ALA   1  -9.241  -9.518   6.942
    4    HA   ALA   1           HA       ALA   1  -7.824  -8.322   5.501
    5   1HB   ALA   1          1HB       ALA   1  -9.959  -7.316   6.060
    6   2HB   ALA   1          2HB       ALA   1  -9.266  -6.546   7.505
    7   3HB   ALA   1          3HB       ALA   1  -8.714  -6.064   5.885
    8    H    ASN   2           H        ASN   2  -5.651  -8.569   5.701
    9    HA   ASN   2           HA       ASN   2  -4.151  -7.008   7.744
   10   1HB   ASN   2          1HB       ASN   2  -3.855  -9.520   7.705
   11   2HB   ASN   2          2HB       ASN   2  -3.161  -9.371   6.094
   12   1HD2  ASN   2          2HD2      ASN   2  -0.138  -7.752   7.372
   13   2HD2  ASN   2          1HD2      ASN   2  -1.237  -7.726   5.970
   14    H    VAL   3           H        VAL   3  -4.937  -5.313   6.262
   15    HA   VAL   3           HA       VAL   3  -3.807  -4.990   3.621
   16    HB   VAL   3           HB       VAL   3  -4.978  -2.926   5.552
   17   1HG1  VAL   3          2HG1      VAL   3  -4.281  -2.727   2.590
   18   2HG1  VAL   3          3HG1      VAL   3  -5.342  -1.590   3.443
   19   3HG1  VAL   3          1HG1      VAL   3  -3.646  -1.744   3.918
   20   1HG2  VAL   3          1HG2      VAL   3  -6.247  -4.522   3.296
   21   2HG2  VAL   3          2HG2      VAL   3  -6.670  -4.569   5.015
   22   3HG2  VAL   3          3HG2      VAL   3  -7.003  -3.118   4.062
   23    H    GLU   4           H        GLU   4  -1.634  -4.826   3.317
   24    HA   GLU   4           HA       GLU   4   0.036  -3.422   5.331
   25   1HB   GLU   4          1HB       GLU   4   0.689  -5.160   2.901
   26   2HB   GLU   4          2HB       GLU   4   1.904  -4.475   3.960
   27   1HG   GLU   4          1HG       GLU   4   1.252  -5.889   5.786
   28   2HG   GLU   4          2HG       GLU   4  -0.240  -6.378   4.978
   29    H    ILE   5           H        ILE   5   1.241  -1.536   4.525
   30    HA   ILE   5           HA       ILE   5   1.010  -0.771   1.673
   31    HB   ILE   5           HB       ILE   5  -0.875   0.344   2.300
   32   1HG1  ILE   5          1HG1      ILE   5   1.228   2.438   2.945
   33   2HG1  ILE   5          2HG1      ILE   5   0.973   1.812   1.316
   34   1HG2  ILE   5          3HG2      ILE   5  -0.823  -0.070   4.751
   35   2HG2  ILE   5          1HG2      ILE   5   0.321   1.268   4.933
   36   3HG2  ILE   5          2HG2      ILE   5  -1.324   1.562   4.348
   37   1HD1  ILE   5          3HD1      ILE   5  -1.122   3.282   2.967
   38   2HD1  ILE   5          1HD1      ILE   5  -0.103   3.976   1.718
   39   3HD1  ILE   5          2HD1      ILE   5  -1.289   2.718   1.287
   40    H    TYR   6           H        TYR   6   3.007  -0.630   1.071
   41    HA   TYR   6           HA       TYR   6   5.177   0.056   2.894
   42   1HB   TYR   6          1HB       TYR   6   4.896  -0.771  -0.001
   43   2HB   TYR   6          2HB       TYR   6   6.376  -0.018   0.558
   44    HD1  TYR   6           HD2      TYR   6   4.147  -2.994   1.181
   45    HD2  TYR   6           HD1      TYR   6   7.935  -1.102   1.927
   46    HE1  TYR   6           HE2      TYR   6   5.026  -5.123   2.075
   47    HE2  TYR   6           HE1      TYR   6   8.827  -3.216   2.801
   48    HH   TYR   6           HH       TYR   6   6.945  -6.223   3.151
   49    H    THR   7           H        THR   7   6.257   2.026   3.037
   50    HA   THR   7           HA       THR   7   5.604   4.199   1.157
   51    HB   THR   7           HB       THR   7   5.034   5.727   2.976
   52    HG1  THR   7           HG1      THR   7   4.506   4.746   5.016
   53   1HG2  THR   7          1HG2      THR   7   3.182   4.431   1.865
   54   2HG2  THR   7          2HG2      THR   7   3.279   3.256   3.198
   55   3HG2  THR   7          3HG2      THR   7   2.814   4.917   3.520
   56    H    LYS   8           H        LYS   8   7.049   6.251   1.933
   57    HA   LYS   8           HA       LYS   8   9.568   5.402   3.183
   58   1HB   LYS   8          1HB       LYS   8   9.986   4.965   0.835
   59   2HB   LYS   8          2HB       LYS   8   9.503   6.617   0.377
   60   1HG   LYS   8          1HG       LYS   8  11.423   7.498   1.713
   61   2HG   LYS   8          2HG       LYS   8  11.847   5.828   2.131
   62   1HD   LYS   8          1HD       LYS   8  13.188   5.819   0.335
   63   2HD   LYS   8          2HD       LYS   8  11.718   5.703  -0.622
   64   1HE   LYS   8          1HE       LYS   8  12.623   7.494  -1.670
   65   2HE   LYS   8          2HE       LYS   8  11.764   8.377  -0.414
   66   1HZ   LYS   8          2HZ       LYS   8  14.649   7.640  -0.339
   67   2HZ   LYS   8          3HZ       LYS   8  14.047   9.083  -0.715
   68   3HZ   LYS   8          1HZ       LYS   8  13.852   8.536   0.810
   69    H    GLU   9           H        GLU   9  10.315   7.221   4.340
   70    HA   GLU   9           HA       GLU   9   8.394   9.351   4.702
   71   1HB   GLU   9          1HB       GLU   9   9.464   8.324   6.640
   72   2HB   GLU   9          2HB       GLU   9  11.024   9.018   6.168
   73   1HG   GLU   9          1HG       GLU   9  10.200  11.280   6.433
   74   2HG   GLU   9          2HG       GLU   9   8.519  10.750   6.420
   75    H    THR  10           H        THR  10   8.447  10.292   2.687
   76    HA   THR  10           HA       THR  10   9.347  12.830   2.643
   77    HB   THR  10           HB       THR  10  11.688  12.271   2.370
   78    HG1  THR  10           HG1      THR  10  11.265  13.991   1.170
   79   1HG2  THR  10          1HG2      THR  10  11.446   9.958   1.402
   80   2HG2  THR  10          2HG2      THR  10  10.985  10.695  -0.148
   81   3HG2  THR  10          3HG2      THR  10  12.585  10.992   0.543
   82    H    CYS  11           H        CYS  11   8.942   9.957   0.629
   83    HA   CYS  11           HA       CYS  11   8.124  11.204  -1.709
   84   1HB   CYS  11          1HB       CYS  11   8.896   8.875  -1.481
   85   2HB   CYS  11          2HB       CYS  11   7.401   8.448  -0.660
   86    HA   PRO  12           HA       PRO  12   4.182  12.499   0.027
   87   1HB   PRO  12          1HB       PRO  12   3.260  14.117  -1.949
   88   2HB   PRO  12          2HB       PRO  12   4.539  14.605  -0.787
   89   1HG   PRO  12          1HG       PRO  12   4.843  13.589  -3.607
   90   2HG   PRO  12          2HG       PRO  12   5.715  14.938  -2.829
   91   1HD   PRO  12          1HD       PRO  12   6.792  12.425  -3.085
   92   2HD   PRO  12          2HD       PRO  12   7.146  13.478  -1.686
   93    H    TYR  13           H        TYR  13   4.454  11.166  -3.304
   94    HA   TYR  13           HA       TYR  13   1.825  10.280  -3.690
   95   1HB   TYR  13          1HB       TYR  13   4.006  10.109  -5.163
   96   2HB   TYR  13          2HB       TYR  13   4.307   8.603  -4.322
   97    HD1  TYR  13           HD2      TYR  13   1.483  10.388  -6.026
   98    HD2  TYR  13           HD1      TYR  13   3.655   6.700  -5.599
   99    HE1  TYR  13           HE2      TYR  13  -0.021   9.344  -7.656
  100    HE2  TYR  13           HE1      TYR  13   2.091   5.599  -7.192
  101    HH   TYR  13           HH       TYR  13  -0.610   7.433  -8.703
  102    H    SER  14           H        SER  14   4.433   8.747  -1.830
  103    HA   SER  14           HA       SER  14   2.952   6.562  -0.832
  104   1HB   SER  14          1HB       SER  14   4.927   6.037  -0.255
  105   2HB   SER  14          2HB       SER  14   5.579   7.518  -0.852
  106    HG   SER  14           HG       SER  14   5.883   8.178   1.126
  107    H    HIS  15           H        HIS  15   3.481   9.787   0.482
  108    HA   HIS  15           HA       HIS  15   1.891   9.231   2.818
  109   1HB   HIS  15          1HB       HIS  15   2.923  11.839   1.722
  110   2HB   HIS  15          2HB       HIS  15   1.790  11.799   3.062
  111    HD1  HIS  15           HD1      HIS  15   3.013  11.782   5.397
  112    HD2  HIS  15           HD2      HIS  15   4.952   9.551   2.369
  113    HE1  HIS  15           HE1      HIS  15   4.974  10.657   6.478
  114    HE2  HIS  15           HE2      HIS  15   6.039   9.131   4.714
  115    H    ARG  16           H        ARG  16   0.930  10.522  -0.320
  116    HA   ARG  16           HA       ARG  16  -1.787  11.087   0.113
  117   1HB   ARG  16          1HB       ARG  16   0.013  10.429  -2.118
  118   2HB   ARG  16          2HB       ARG  16  -1.562   9.751  -2.380
  119   1HG   ARG  16          1HG       ARG  16  -2.600  11.918  -2.198
  120   2HG   ARG  16          2HG       ARG  16  -1.105  12.654  -1.590
  121   1HD   ARG  16          1HD       ARG  16  -0.106  12.730  -3.678
  122   2HD   ARG  16          2HD       ARG  16  -0.940  11.286  -4.254
  123    HE   ARG  16           HE       ARG  16  -2.379  12.626  -5.313
  124   1HH1  ARG  16          2HH2      ARG  16  -1.269  14.571  -2.543
  125   2HH1  ARG  16          1HH2      ARG  16  -2.572  15.694  -2.639
  126   1HH2  ARG  16          2HH1      ARG  16  -3.898  14.230  -5.620
  127   2HH2  ARG  16          1HH1      ARG  16  -4.041  15.582  -4.530
  128    H    ALA  17           H        ALA  17  -0.371   7.857  -0.645
  129    HA   ALA  17           HA       ALA  17  -2.855   6.595  -0.689
  130   1HB   ALA  17          2HB       ALA  17  -0.164   5.436   0.076
  131   2HB   ALA  17          3HB       ALA  17  -1.621   4.470  -0.300
  132   3HB   ALA  17          1HB       ALA  17  -0.898   5.500  -1.540
  133    H    LYS  18           H        LYS  18  -1.240   7.572   2.222
  134    HA   LYS  18           HA       LYS  18  -2.954   5.840   3.868
  135   1HB   LYS  18          1HB       LYS  18  -1.452   8.270   4.885
  136   2HB   LYS  18          2HB       LYS  18  -2.145   6.936   5.804
  137   1HG   LYS  18          1HG       LYS  18  -0.102   6.007   5.740
  138   2HG   LYS  18          2HG       LYS  18  -0.522   5.530   4.098
  139   1HD   LYS  18          1HD       LYS  18   1.565   6.617   3.825
  140   2HD   LYS  18          2HD       LYS  18   0.377   7.761   3.309
  141   1HE   LYS  18          1HE       LYS  18   2.116   8.844   4.725
  142   2HE   LYS  18          2HE       LYS  18   0.525   8.984   5.478
  143   1HZ   LYS  18          3HZ       LYS  18   2.429   6.848   6.224
  144   2HZ   LYS  18          1HZ       LYS  18   2.479   8.316   6.923
  145   3HZ   LYS  18          2HZ       LYS  18   1.148   7.364   7.080
  146    H    ALA  19           H        ALA  19  -3.264   9.115   2.487
  147    HA   ALA  19           HA       ALA  19  -5.471   9.835   4.258
  148   1HB   ALA  19          1HB       ALA  19  -4.192  11.552   2.939
  149   2HB   ALA  19          2HB       ALA  19  -4.786  10.816   1.430
  150   3HB   ALA  19          3HB       ALA  19  -5.925  11.563   2.558
  151    H    LEU  20           H        LEU  20  -5.125   8.030   1.252
  152    HA   LEU  20           HA       LEU  20  -7.984   7.784   0.797
  153   1HB   LEU  20          1HB       LEU  20  -6.395   7.467  -0.939
  154   2HB   LEU  20          2HB       LEU  20  -5.598   6.131  -0.134
  155    HG   LEU  20           HG       LEU  20  -7.076   5.684  -2.152
  156   1HD1  LEU  20          1HD1      LEU  20  -6.244   3.901  -0.671
  157   2HD1  LEU  20          2HD1      LEU  20  -7.755   3.986   0.266
  158   3HD1  LEU  20          3HD1      LEU  20  -7.795   3.532  -1.443
  159   1HD2  LEU  20          3HD2      LEU  20  -9.030   7.035  -1.429
  160   2HD2  LEU  20          1HD2      LEU  20  -9.435   5.360  -1.854
  161   3HD2  LEU  20          2HD2      LEU  20  -9.351   5.836  -0.152
  162    H    LEU  21           H        LEU  21  -5.620   5.474   2.168
  163    HA   LEU  21           HA       LEU  21  -7.645   3.625   2.995
  164   1HB   LEU  21          1HB       LEU  21  -4.729   4.030   3.612
  165   2HB   LEU  21          2HB       LEU  21  -5.637   2.885   4.596
  166    HG   LEU  21           HG       LEU  21  -6.012   2.724   1.606
  167   1HD1  LEU  21          2HD1      LEU  21  -3.522   1.789   3.039
  168   2HD1  LEU  21          3HD1      LEU  21  -4.037   1.232   1.424
  169   3HD1  LEU  21          1HD1      LEU  21  -3.663   2.944   1.689
  170   1HD2  LEU  21          1HD2      LEU  21  -5.823   0.638   3.817
  171   2HD2  LEU  21          2HD2      LEU  21  -7.322   1.272   3.108
  172   3HD2  LEU  21          3HD2      LEU  21  -6.215   0.320   2.109
  173    H    SER  22           H        SER  22  -6.207   6.367   4.800
  174    HA   SER  22           HA       SER  22  -7.674   5.700   7.200
  175   1HB   SER  22          1HB       SER  22  -5.470   7.050   6.972
  176   2HB   SER  22          2HB       SER  22  -6.532   8.433   6.606
  177    HG   SER  22           HG       SER  22  -6.207   8.323   8.818
  178    H    SER  23           H        SER  23  -8.418   7.621   4.228
  179    HA   SER  23           HA       SER  23 -10.750   8.840   5.181
  180   1HB   SER  23          1HB       SER  23  -9.797   8.998   2.811
  181   2HB   SER  23          2HB       SER  23 -10.614   7.467   2.465
  182    HG   SER  23           HG       SER  23 -12.606   8.530   3.009
  183    H    LYS  24           H        LYS  24 -10.229   5.393   4.260
  184    HA   LYS  24           HA       LYS  24 -12.990   4.663   4.993
  185   1HB   LYS  24          1HB       LYS  24 -10.474   2.995   4.528
  186   2HB   LYS  24          2HB       LYS  24 -11.986   2.321   5.097
  187   1HG   LYS  24          1HG       LYS  24 -11.928   1.826   2.861
  188   2HG   LYS  24          2HG       LYS  24 -13.112   3.114   2.991
  189   1HD   LYS  24          1HD       LYS  24 -10.256   3.876   2.345
  190   2HD   LYS  24          2HD       LYS  24 -11.124   2.988   1.114
  191   1HE   LYS  24          1HE       LYS  24 -12.152   5.570   2.359
  192   2HE   LYS  24          2HE       LYS  24 -11.236   5.461   0.847
  193   1HZ   LYS  24          1HZ       LYS  24 -13.015   4.017  -0.014
  194   2HZ   LYS  24          2HZ       LYS  24 -13.923   4.332   1.338
  195   3HZ   LYS  24          3HZ       LYS  24 -13.512   5.538   0.326
  196    H    GLY  25           H        GLY  25  -9.755   4.474   6.463
  197   1HA   GLY  25          1HA       GLY  25  -9.141   4.396   8.731
  198   2HA   GLY  25          2HA       GLY  25 -10.850   4.419   9.204
  199    H    VAL  26           H        VAL  26  -8.370   2.447   7.589
  200    HA   VAL  26           HA       VAL  26  -9.657  -0.063   8.575
  201    HB   VAL  26           HB       VAL  26  -7.488   0.248   6.488
  202   1HG1  VAL  26          2HG1      VAL  26  -9.184  -2.169   7.163
  203   2HG1  VAL  26          3HG1      VAL  26  -8.018  -2.048   5.827
  204   3HG1  VAL  26          1HG1      VAL  26  -7.444  -1.961   7.470
  205   1HG2  VAL  26          2HG2      VAL  26 -10.478  -0.151   6.011
  206   2HG2  VAL  26          3HG2      VAL  26  -9.496   1.247   5.514
  207   3HG2  VAL  26          1HG2      VAL  26  -9.227  -0.320   4.757
  208    H    SER  27           H        SER  27  -8.201  -1.469   9.669
  209    HA   SER  27           HA       SER  27  -5.839  -0.248  10.978
  210   1HB   SER  27          1HB       SER  27  -7.174  -2.974  11.279
  211   2HB   SER  27          2HB       SER  27  -5.727  -2.443  12.167
  212    HG   SER  27           HG       SER  27  -7.705  -2.071  13.299
  213    H    PHE  28           H        PHE  28  -4.877   0.146   8.906
  214    HA   PHE  28           HA       PHE  28  -3.718  -2.114   7.400
  215   1HB   PHE  28          1HB       PHE  28  -2.535  -0.326   6.184
  216   2HB   PHE  28          2HB       PHE  28  -4.271  -0.152   6.146
  217    HD1  PHE  28           HD2      PHE  28  -1.149   1.223   7.723
  218    HD2  PHE  28           HD1      PHE  28  -5.358   1.828   6.965
  219    HE1  PHE  28           HE2      PHE  28  -0.960   3.569   8.475
  220    HE2  PHE  28           HE1      PHE  28  -5.158   4.171   7.742
  221    HZ   PHE  28           HZ       PHE  28  -2.951   5.056   8.487
  222    H    GLN  29           H        GLN  29  -1.261  -1.972   7.122
  223    HA   GLN  29           HA       GLN  29   0.189  -1.391   9.608
  224   1HB   GLN  29          1HB       GLN  29  -0.304  -3.944   9.162
  225   2HB   GLN  29          2HB       GLN  29   0.799  -3.795   7.815
  226   1HG   GLN  29          1HG       GLN  29   2.012  -4.625   9.738
  227   2HG   GLN  29          2HG       GLN  29   2.586  -2.994   9.384
  228   1HE2  GLN  29          2HE2      GLN  29   1.631  -1.782  12.604
  229   2HE2  GLN  29          1HE2      GLN  29   2.694  -1.612  11.207
  230    H    GLU  30           H        GLU  30   1.272   0.383   8.876
  231    HA   GLU  30           HA       GLU  30   2.037   0.571   6.066
  232   1HB   GLU  30          1HB       GLU  30   1.483   2.456   7.898
  233   2HB   GLU  30          2HB       GLU  30   3.257   2.377   8.086
  234   1HG   GLU  30          1HG       GLU  30   3.526   2.808   5.687
  235   2HG   GLU  30          2HG       GLU  30   1.770   2.838   5.464
  236    H    LEU  31           H        LEU  31   4.162   0.353   5.276
  237    HA   LEU  31           HA       LEU  31   6.232  -0.791   7.101
  238   1HB   LEU  31          1HB       LEU  31   5.620  -1.543   4.221
  239   2HB   LEU  31          2HB       LEU  31   7.066  -1.993   5.091
  240    HG   LEU  31           HG       LEU  31   5.718  -3.843   5.022
  241   1HD1  LEU  31          2HD1      LEU  31   6.767  -3.378   7.251
  242   2HD1  LEU  31          3HD1      LEU  31   5.186  -2.783   7.817
  243   3HD1  LEU  31          1HD1      LEU  31   5.376  -4.470   7.313
  244   1HD2  LEU  31          3HD2      LEU  31   3.554  -2.768   4.501
  245   2HD2  LEU  31          1HD2      LEU  31   3.450  -4.100   5.677
  246   3HD2  LEU  31          2HD2      LEU  31   3.363  -2.433   6.240
  247    HA   PRO  32           HA       PRO  32   8.165   2.991   5.254
  248   1HB   PRO  32          1HB       PRO  32  10.132   2.656   7.380
  249   2HB   PRO  32          2HB       PRO  32   9.076   4.047   7.050
  250   1HG   PRO  32          1HG       PRO  32   8.801   2.303   9.225
  251   2HG   PRO  32          2HG       PRO  32   7.493   3.337   8.566
  252   1HD   PRO  32          1HD       PRO  32   7.975   0.409   8.203
  253   2HD   PRO  32          2HD       PRO  32   6.432   1.317   8.233
  254    H    ILE  33           H        ILE  33   9.612   2.704   3.727
  255    HA   ILE  33           HA       ILE  33  11.864   0.823   4.046
  256    HB   ILE  33           HB       ILE  33  11.703   0.521   1.515
  257   1HG1  ILE  33          1HG1      ILE  33   8.742   0.978   1.964
  258   2HG1  ILE  33          2HG1      ILE  33   9.803   2.150   1.172
  259   1HG2  ILE  33          3HG2      ILE  33  11.510  -1.180   3.216
  260   2HG2  ILE  33          1HG2      ILE  33   9.790  -0.808   3.474
  261   3HG2  ILE  33          2HG2      ILE  33  10.329  -1.533   1.956
  262   1HD1  ILE  33          1HD1      ILE  33   9.770  -0.674   0.090
  263   2HD1  ILE  33          2HD1      ILE  33   8.437   0.410  -0.240
  264   3HD1  ILE  33          3HD1      ILE  33  10.062   0.874  -0.729
  265    H    ASP  34           H        ASP  34  12.223   2.906   4.991
  266    HA   ASP  34           HA       ASP  34  13.762   4.565   3.095
  267   1HB   ASP  34          1HB       ASP  34  11.753   5.614   4.470
  268   2HB   ASP  34          2HB       ASP  34  12.875   5.574   5.827
  269    H    GLY  35           H        GLY  35  15.935   4.233   3.372
  270   1HA   GLY  35          1HA       GLY  35  17.952   3.858   4.309
  271   2HA   GLY  35          2HA       GLY  35  17.217   3.994   5.905
  272    H    ASN  36           H        ASN  36  15.372   1.788   5.596
  273    HA   ASN  36           HA       ASN  36  17.184  -0.487   5.971
  274   1HB   ASN  36          1HB       ASN  36  15.651  -1.140   7.404
  275   2HB   ASN  36          2HB       ASN  36  14.642   0.236   7.031
  276   1HD2  ASN  36          2HD2      ASN  36  12.517  -1.512   4.784
  277   2HD2  ASN  36          1HD2      ASN  36  12.808  -0.084   5.755
  278    H    ALA  37           H        ALA  37  17.749  -1.869   4.462
  279    HA   ALA  37           HA       ALA  37  16.584  -1.655   1.764
  280   1HB   ALA  37          3HB       ALA  37  19.030  -1.522   2.006
  281   2HB   ALA  37          1HB       ALA  37  19.045  -3.113   2.811
  282   3HB   ALA  37          2HB       ALA  37  18.544  -2.979   1.114
  283    H    ALA  38           H        ALA  38  16.658  -3.793   4.497
  284    HA   ALA  38           HA       ALA  38  16.259  -6.272   3.220
  285   1HB   ALA  38          3HB       ALA  38  16.851  -6.073   5.631
  286   2HB   ALA  38          1HB       ALA  38  15.252  -5.398   5.984
  287   3HB   ALA  38          2HB       ALA  38  15.410  -7.070   5.413
  288    H    LYS  39           H        LYS  39  13.792  -4.287   4.811
  289    HA   LYS  39           HA       LYS  39  11.581  -5.737   3.735
  290   1HB   LYS  39          1HB       LYS  39  11.994  -4.053   5.791
  291   2HB   LYS  39          2HB       LYS  39  11.332  -2.873   4.672
  292   1HG   LYS  39          1HG       LYS  39   9.190  -3.797   4.783
  293   2HG   LYS  39          2HG       LYS  39   9.797  -5.410   5.200
  294   1HD   LYS  39          1HD       LYS  39   8.744  -4.363   7.136
  295   2HD   LYS  39          2HD       LYS  39  10.461  -4.628   7.399
  296   1HE   LYS  39          1HE       LYS  39  10.853  -2.173   6.784
  297   2HE   LYS  39          2HE       LYS  39   9.098  -1.955   6.834
  298   1HZ   LYS  39          2HZ       LYS  39   9.168  -2.738   9.140
  299   2HZ   LYS  39          3HZ       LYS  39  10.805  -2.922   9.043
  300   3HZ   LYS  39          1HZ       LYS  39  10.151  -1.434   8.976
  301    H    ARG  40           H        ARG  40  13.504  -3.096   2.452
  302    HA   ARG  40           HA       ARG  40  11.620  -2.275   0.395
  303   1HB   ARG  40          1HB       ARG  40  13.506  -0.819   1.041
  304   2HB   ARG  40          2HB       ARG  40  14.650  -2.082   0.636
  305   1HG   ARG  40          1HG       ARG  40  14.712  -0.510  -1.099
  306   2HG   ARG  40          2HG       ARG  40  13.992  -1.986  -1.722
  307   1HD   ARG  40          1HD       ARG  40  12.706  -0.266  -2.682
  308   2HD   ARG  40          2HD       ARG  40  11.694  -0.824  -1.359
  309    HE   ARG  40           HE       ARG  40  12.619   1.084  -0.012
  310   1HH1  ARG  40          2HH2      ARG  40  12.497   1.469  -3.568
  311   2HH1  ARG  40          1HH2      ARG  40  13.225   3.035  -3.529
  312   1HH2  ARG  40          2HH1      ARG  40  13.004   3.272   0.047
  313   2HH2  ARG  40          1HH1      ARG  40  13.357   4.127  -1.445
  314    H    GLU  41           H        GLU  41  14.348  -4.636   0.552
  315    HA   GLU  41           HA       GLU  41  13.898  -5.558  -2.130
  316   1HB   GLU  41          1HB       GLU  41  16.058  -5.553  -1.069
  317   2HB   GLU  41          2HB       GLU  41  15.497  -6.642   0.207
  318   1HG   GLU  41          1HG       GLU  41  15.386  -8.477  -1.230
  319   2HG   GLU  41          2HG       GLU  41  15.267  -7.476  -2.690
  320    H    GLU  42           H        GLU  42  12.506  -6.415   1.006
  321    HA   GLU  42           HA       GLU  42  11.222  -8.821   0.157
  322   1HB   GLU  42          1HB       GLU  42  11.391  -7.993   2.544
  323   2HB   GLU  42          2HB       GLU  42  10.221  -6.741   2.151
  324   1HG   GLU  42          1HG       GLU  42   8.985  -8.426   3.204
  325   2HG   GLU  42          2HG       GLU  42   8.585  -8.590   1.490
  326    H    MET  43           H        MET  43   9.900  -5.438   0.355
  327    HA   MET  43           HA       MET  43   7.543  -5.795  -1.036
  328   1HB   MET  43          1HB       MET  43   8.316  -3.651   0.018
  329   2HB   MET  43          2HB       MET  43   9.377  -3.395  -1.356
  330   1HG   MET  43          1HG       MET  43   7.227  -3.612  -2.820
  331   2HG   MET  43          2HG       MET  43   6.341  -3.494  -1.308
  332   1HE   MET  43          3HE       MET  43   8.777  -1.750  -3.863
  333   2HE   MET  43          1HE       MET  43   8.926  -0.112  -3.184
  334   3HE   MET  43          2HE       MET  43   9.678  -1.484  -2.360
  335    H    ILE  44           H        ILE  44  10.776  -5.226  -2.459
  336    HA   ILE  44           HA       ILE  44   9.972  -5.039  -5.149
  337    HB   ILE  44           HB       ILE  44  12.572  -5.950  -3.890
  338   1HG1  ILE  44          1HG1      ILE  44  11.859  -3.465  -5.494
  339   2HG1  ILE  44          2HG1      ILE  44  11.627  -3.495  -3.764
  340   1HG2  ILE  44          1HG2      ILE  44  11.962  -5.424  -6.834
  341   2HG2  ILE  44          2HG2      ILE  44  13.584  -5.635  -6.158
  342   3HG2  ILE  44          3HG2      ILE  44  12.453  -6.984  -6.136
  343   1HD1  ILE  44          2HD1      ILE  44  14.066  -3.876  -3.429
  344   2HD1  ILE  44          3HD1      ILE  44  14.301  -3.772  -5.185
  345   3HD1  ILE  44          1HD1      ILE  44  13.704  -2.372  -4.286
  346    H    LYS  45           H        LYS  45  10.906  -8.106  -3.362
  347    HA   LYS  45           HA       LYS  45   9.963  -9.620  -5.705
  348   1HB   LYS  45          1HB       LYS  45  11.259 -10.309  -3.110
  349   2HB   LYS  45          2HB       LYS  45  10.102 -11.492  -3.727
  350   1HG   LYS  45          1HG       LYS  45  12.190 -12.125  -4.613
  351   2HG   LYS  45          2HG       LYS  45  11.248 -11.473  -5.944
  352   1HD   LYS  45          1HD       LYS  45  12.536  -9.342  -5.803
  353   2HD   LYS  45          2HD       LYS  45  13.442  -9.995  -4.411
  354   1HE   LYS  45          1HE       LYS  45  14.111 -11.945  -5.878
  355   2HE   LYS  45          2HE       LYS  45  13.352 -11.120  -7.250
  356   1HZ   LYS  45          1HZ       LYS  45  15.585 -10.040  -5.648
  357   2HZ   LYS  45          2HZ       LYS  45  15.757 -10.778  -7.087
  358   3HZ   LYS  45          3HZ       LYS  45  14.946  -9.332  -6.985
  359    H    ARG  46           H        ARG  46   8.329  -8.282  -2.911
  360    HA   ARG  46           HA       ARG  46   5.984  -9.999  -3.216
  361   1HB   ARG  46          1HB       ARG  46   6.048  -7.130  -2.229
  362   2HB   ARG  46          2HB       ARG  46   4.753  -8.282  -2.000
  363   1HG   ARG  46          1HG       ARG  46   7.462  -8.823  -0.777
  364   2HG   ARG  46          2HG       ARG  46   6.334  -7.694  -0.045
  365   1HD   ARG  46          1HD       ARG  46   6.073  -9.743   1.043
  366   2HD   ARG  46          2HD       ARG  46   4.635  -9.529   0.036
  367    HE   ARG  46           HE       ARG  46   6.275 -11.006  -1.584
  368   1HH1  ARG  46          2HH2      ARG  46   5.408 -11.460   1.825
  369   2HH1  ARG  46          1HH2      ARG  46   5.083 -13.154   1.640
  370   1HH2  ARG  46          2HH1      ARG  46   6.233 -13.237  -1.734
  371   2HH2  ARG  46          1HH1      ARG  46   5.950 -14.246  -0.362
  372    H    SER  47           H        SER  47   7.246  -7.347  -5.193
  373    HA   SER  47           HA       SER  47   4.562  -7.215  -6.545
  374   1HB   SER  47          1HB       SER  47   4.947  -4.784  -6.681
  375   2HB   SER  47          2HB       SER  47   4.780  -5.381  -5.026
  376    HG   SER  47           HG       SER  47   7.065  -5.242  -4.810
  377    H    GLY  48           H        GLY  48   8.042  -7.247  -7.141
  378   1HA   GLY  48          1HA       GLY  48   9.179  -7.277  -9.139
  379   2HA   GLY  48          2HA       GLY  48   7.667  -7.088 -10.040
  380    H    ARG  49           H        ARG  49   8.189  -4.810  -7.368
  381    HA   ARG  49           HA       ARG  49   9.026  -2.666  -9.254
  382   1HB   ARG  49          1HB       ARG  49   6.464  -2.872  -7.647
  383   2HB   ARG  49          2HB       ARG  49   7.129  -1.297  -8.101
  384   1HG   ARG  49          1HG       ARG  49   7.001  -1.892 -10.474
  385   2HG   ARG  49          2HG       ARG  49   6.379  -3.507 -10.050
  386   1HD   ARG  49          1HD       ARG  49   4.504  -2.267  -8.783
  387   2HD   ARG  49          2HD       ARG  49   5.060  -0.810  -9.624
  388    HE   ARG  49           HE       ARG  49   4.502  -3.179 -11.282
  389   1HH1  ARG  49          2HH2      ARG  49   3.100  -0.178  -9.941
  390   2HH1  ARG  49          1HH2      ARG  49   1.750  -0.187 -11.023
  391   1HH2  ARG  49          2HH1      ARG  49   2.942  -2.828 -13.030
  392   2HH2  ARG  49          1HH1      ARG  49   1.666  -1.718 -12.781
  393    H    THR  50           H        THR  50   9.965  -0.876  -8.247
  394    HA   THR  50           HA       THR  50  11.128  -1.500  -5.617
  395    HB   THR  50           HB       THR  50  12.837   0.166  -6.551
  396    HG1  THR  50           HG1      THR  50  12.631   0.593  -8.756
  397   1HG2  THR  50          3HG2      THR  50  12.234  -2.311  -8.249
  398   2HG2  THR  50          1HG2      THR  50  13.742  -1.390  -8.296
  399   3HG2  THR  50          2HG2      THR  50  13.286  -2.232  -6.822
  400    H    THR  51           H        THR  51   8.821   0.639  -7.010
  401    HA   THR  51           HA       THR  51   9.570   2.942  -5.410
  402    HB   THR  51           HB       THR  51   7.571   3.926  -6.683
  403    HG1  THR  51           HG1      THR  51   6.390   2.170  -7.238
  404   1HG2  THR  51          3HG2      THR  51   9.904   2.693  -8.218
  405   2HG2  THR  51          1HG2      THR  51   8.689   3.739  -8.975
  406   3HG2  THR  51          2HG2      THR  51   9.693   4.364  -7.676
  407    H    VAL  52           H        VAL  52   8.066   4.121  -4.098
  408    HA   VAL  52           HA       VAL  52   5.928   2.486  -2.843
  409    HB   VAL  52           HB       VAL  52   6.040   4.162  -1.001
  410   1HG1  VAL  52          1HG1      VAL  52   8.627   2.705  -1.614
  411   2HG1  VAL  52          2HG1      VAL  52   8.139   3.330  -0.031
  412   3HG1  VAL  52          3HG1      VAL  52   7.172   2.060  -0.805
  413   1HG2  VAL  52          2HG2      VAL  52   7.088   6.021  -2.343
  414   2HG2  VAL  52          3HG2      VAL  52   7.742   5.719  -0.728
  415   3HG2  VAL  52          1HG2      VAL  52   8.634   5.159  -2.160
  416    HA   PRO  53           HA       PRO  53   4.329   3.019  -1.432
  417   1HB   PRO  53          1HB       PRO  53   1.654   3.105  -1.124
  418   2HB   PRO  53          2HB       PRO  53   2.676   4.472  -0.601
  419   1HG   PRO  53          1HG       PRO  53   1.063   4.165  -3.140
  420   2HG   PRO  53          2HG       PRO  53   1.254   5.624  -2.112
  421   1HD   PRO  53          1HD       PRO  53   2.685   5.046  -4.461
  422   2HD   PRO  53          2HD       PRO  53   3.191   6.234  -3.225
  423    H    GLN  54           H        GLN  54   3.227   0.950  -1.278
  424    HA   GLN  54           HA       GLN  54   1.771   0.008  -3.614
  425   1HB   GLN  54          1HB       GLN  54   4.256  -1.488  -2.641
  426   2HB   GLN  54          2HB       GLN  54   3.012  -2.146  -3.718
  427   1HG   GLN  54          1HG       GLN  54   3.484  -0.182  -5.284
  428   2HG   GLN  54          2HG       GLN  54   4.891   0.163  -4.267
  429   1HE2  GLN  54          2HE2      GLN  54   6.774  -2.633  -5.528
  430   2HE2  GLN  54          1HE2      GLN  54   6.741  -1.216  -4.483
  431    H    ILE  55           H        ILE  55   0.195  -1.618  -2.946
  432    HA   ILE  55           HA       ILE  55   0.062  -1.871  -0.012
  433    HB   ILE  55           HB       ILE  55  -2.160  -1.221  -1.998
  434   1HG1  ILE  55          1HG1      ILE  55  -2.152   0.872  -0.234
  435   2HG1  ILE  55          2HG1      ILE  55  -0.450   0.496  -0.205
  436   1HG2  ILE  55          1HG2      ILE  55  -2.890  -2.622  -0.043
  437   2HG2  ILE  55          2HG2      ILE  55  -2.293  -1.355   1.044
  438   3HG2  ILE  55          3HG2      ILE  55  -3.630  -1.035  -0.065
  439   1HD1  ILE  55          2HD1      ILE  55  -2.074   1.165  -2.692
  440   2HD1  ILE  55          3HD1      ILE  55  -1.009   2.274  -1.815
  441   3HD1  ILE  55          1HD1      ILE  55  -0.328   0.885  -2.670
  442    H    PHE  56           H        PHE  56  -0.845  -3.840   0.675
  443    HA   PHE  56           HA       PHE  56  -1.200  -5.966  -1.339
  444   1HB   PHE  56          1HB       PHE  56   0.628  -6.251   1.076
  445   2HB   PHE  56          2HB       PHE  56   0.270  -7.458  -0.132
  446    HD1  PHE  56           HD1      PHE  56   1.949  -4.127   0.375
  447    HD2  PHE  56           HD2      PHE  56   1.599  -7.638  -2.099
  448    HE1  PHE  56           HE1      PHE  56   3.811  -3.311  -1.052
  449    HE2  PHE  56           HE2      PHE  56   3.455  -6.825  -3.500
  450    HZ   PHE  56           HZ       PHE  56   4.559  -4.656  -3.020
  451    H    ILE  57           H        ILE  57  -3.213  -6.694  -0.872
  452    HA   ILE  57           HA       ILE  57  -4.306  -6.268   1.899
  453    HB   ILE  57           HB       ILE  57  -5.568  -6.391  -0.850
  454   1HG1  ILE  57          1HG1      ILE  57  -5.255  -4.227   1.267
  455   2HG1  ILE  57          2HG1      ILE  57  -4.492  -4.276  -0.312
  456   1HG2  ILE  57          3HG2      ILE  57  -7.072  -7.536   0.845
  457   2HG2  ILE  57          1HG2      ILE  57  -7.154  -5.981   1.703
  458   3HG2  ILE  57          2HG2      ILE  57  -7.761  -6.129   0.050
  459   1HD1  ILE  57          3HD1      ILE  57  -6.810  -4.049  -1.341
  460   2HD1  ILE  57          1HD1      ILE  57  -7.413  -3.749   0.305
  461   3HD1  ILE  57          2HD1      ILE  57  -6.215  -2.657  -0.410
  462    H    ASP  58           H        ASP  58  -4.153  -8.105   3.077
  463    HA   ASP  58           HA       ASP  58  -3.929 -10.307   3.620
  464   1HB   ASP  58          1HB       ASP  58  -5.934 -10.814   1.437
  465   2HB   ASP  58          2HB       ASP  58  -5.503 -11.944   2.722
  466    H    ALA  59           H        ALA  59  -2.098  -9.260   2.012
  467    HA   ALA  59           HA       ALA  59  -0.329  -9.596   0.631
  468   1HB   ALA  59          2HB       ALA  59   0.040 -11.410   2.232
  469   2HB   ALA  59          3HB       ALA  59  -0.844 -12.535   1.176
  470   3HB   ALA  59          1HB       ALA  59   0.672 -11.785   0.630
  471    H    GLN  60           H        GLN  60  -2.751  -9.084  -0.672
  472    HA   GLN  60           HA       GLN  60  -2.218 -10.287  -3.352
  473   1HB   GLN  60          1HB       GLN  60  -4.710  -8.834  -2.375
  474   2HB   GLN  60          2HB       GLN  60  -4.454  -9.495  -3.978
  475   1HG   GLN  60          1HG       GLN  60  -4.559 -11.741  -3.220
  476   2HG   GLN  60          2HG       GLN  60  -4.330 -11.277  -1.531
  477   1HE2  GLN  60          2HE2      GLN  60  -7.712 -10.510  -0.869
  478   2HE2  GLN  60          1HE2      GLN  60  -6.059 -10.024  -0.471
  479    H    HIS  61           H        HIS  61  -0.615  -8.959  -4.065
  480    HA   HIS  61           HA       HIS  61  -0.236  -6.275  -3.465
  481   1HB   HIS  61          1HB       HIS  61   1.485  -7.700  -4.514
  482   2HB   HIS  61          2HB       HIS  61   0.480  -7.922  -5.936
  483    HD1  HIS  61           HD1      HIS  61   1.374  -6.569  -7.878
  484    HD2  HIS  61           HD2      HIS  61   1.682  -4.622  -4.130
  485    HE1  HIS  61           HE1      HIS  61   2.712  -4.396  -8.274
  486    HE2  HIS  61           HE2      HIS  61   2.872  -3.203  -6.038
  487    H    ILE  62           H        ILE  62  -1.383  -4.508  -3.929
  488    HA   ILE  62           HA       ILE  62  -3.517  -4.536  -5.885
  489    HB   ILE  62           HB       ILE  62  -2.376  -2.188  -4.306
  490   1HG1  ILE  62          1HG1      ILE  62  -2.880  -3.811  -2.678
  491   2HG1  ILE  62          2HG1      ILE  62  -4.177  -2.661  -2.636
  492   1HG2  ILE  62          3HG2      ILE  62  -3.909  -1.523  -6.153
  493   2HG2  ILE  62          1HG2      ILE  62  -5.170  -2.562  -5.461
  494   3HG2  ILE  62          2HG2      ILE  62  -4.560  -1.165  -4.570
  495   1HD1  ILE  62          2HD1      ILE  62  -4.384  -5.374  -4.042
  496   2HD1  ILE  62          3HD1      ILE  62  -5.023  -4.980  -2.466
  497   3HD1  ILE  62          1HD1      ILE  62  -5.676  -4.163  -3.888
  498    H    GLY  63           H        GLY  63  -0.415  -2.741  -5.611
  499   1HA   GLY  63          1HA       GLY  63   0.753  -2.386  -7.889
  500   2HA   GLY  63          2HA       GLY  63  -0.798  -1.650  -8.335
  501    H    GLY  64           H        GLY  64  -0.479   0.508  -8.254
  502   1HA   GLY  64          1HA       GLY  64   1.235   1.771  -6.202
  503   2HA   GLY  64          2HA       GLY  64   0.621   2.498  -7.691
  504    H    TYR  65           H        TYR  65   0.070   4.333  -6.365
  505    HA   TYR  65           HA       TYR  65  -1.934   4.124  -4.225
  506   1HB   TYR  65          1HB       TYR  65  -0.260   5.845  -3.881
  507   2HB   TYR  65          2HB       TYR  65  -0.436   6.434  -5.519
  508    HD1  TYR  65           HD2      TYR  65  -2.907   5.677  -2.779
  509    HD2  TYR  65           HD1      TYR  65  -1.371   8.601  -5.558
  510    HE1  TYR  65           HE2      TYR  65  -4.545   7.308  -1.970
  511    HE2  TYR  65           HE1      TYR  65  -3.085  10.196  -4.812
  512    HH   TYR  65           HH       TYR  65  -5.079  10.444  -3.604
  513    H    ASP  66           H        ASP  66  -1.721   5.768  -7.464
  514    HA   ASP  66           HA       ASP  66  -4.480   6.535  -7.367
  515   1HB   ASP  66          1HB       ASP  66  -2.571   6.215  -9.700
  516   2HB   ASP  66          2HB       ASP  66  -4.220   6.801  -9.860
  517    H    ASP  67           H        ASP  67  -2.823   3.653  -8.327
  518    HA   ASP  67           HA       ASP  67  -4.955   2.147  -9.506
  519   1HB   ASP  67          1HB       ASP  67  -2.721   1.131  -7.700
  520   2HB   ASP  67          2HB       ASP  67  -3.858   0.111  -8.563
  521    H    LEU  68           H        LEU  68  -3.824   2.157  -5.971
  522    HA   LEU  68           HA       LEU  68  -6.009   0.586  -5.157
  523   1HB   LEU  68          1HB       LEU  68  -3.979   0.946  -3.795
  524   2HB   LEU  68          2HB       LEU  68  -4.408   2.644  -3.583
  525    HG   LEU  68           HG       LEU  68  -6.560   1.924  -2.461
  526   1HD1  LEU  68          2HD1      LEU  68  -5.263  -0.828  -2.545
  527   2HD1  LEU  68          3HD1      LEU  68  -6.634  -0.408  -1.554
  528   3HD1  LEU  68          1HD1      LEU  68  -6.811  -0.383  -3.310
  529   1HD2  LEU  68          2HD2      LEU  68  -4.537   2.537  -1.169
  530   2HD2  LEU  68          3HD2      LEU  68  -5.616   1.377  -0.360
  531   3HD2  LEU  68          1HD2      LEU  68  -4.118   0.813  -1.131
  532    H    TYR  69           H        TYR  69  -5.641   4.071  -5.348
  533    HA   TYR  69           HA       TYR  69  -8.055   4.880  -4.094
  534   1HB   TYR  69          1HB       TYR  69  -6.169   6.386  -4.812
  535   2HB   TYR  69          2HB       TYR  69  -6.674   6.188  -6.484
  536    HD1  TYR  69           HD1      TYR  69  -9.148   6.828  -7.097
  537    HD2  TYR  69           HD2      TYR  69  -7.182   8.062  -3.443
  538    HE1  TYR  69           HE1      TYR  69 -10.948   8.396  -6.672
  539    HE2  TYR  69           HE2      TYR  69  -8.958   9.746  -3.068
  540    HH   TYR  69           HH       TYR  69 -11.689  10.168  -5.375
  541    H    ALA  70           H        ALA  70  -7.411   4.088  -7.526
  542    HA   ALA  70           HA       ALA  70 -10.177   4.459  -8.338
  543   1HB   ALA  70          2HB       ALA  70  -7.923   2.885  -9.653
  544   2HB   ALA  70          3HB       ALA  70  -9.491   3.265 -10.403
  545   3HB   ALA  70          1HB       ALA  70  -8.378   4.581  -9.980
  546    H    LEU  71           H        LEU  71  -8.276   1.726  -7.173
  547    HA   LEU  71           HA       LEU  71 -10.122  -0.362  -7.614
  548   1HB   LEU  71          1HB       LEU  71  -7.529  -0.246  -6.965
  549   2HB   LEU  71          2HB       LEU  71  -8.158  -0.451  -5.344
  550    HG   LEU  71           HG       LEU  71  -7.407  -2.518  -6.345
  551   1HD1  LEU  71          2HD1      LEU  71  -9.188  -2.681  -4.789
  552   2HD1  LEU  71          3HD1      LEU  71 -10.386  -2.485  -6.106
  553   3HD1  LEU  71          1HD1      LEU  71  -9.365  -3.930  -6.036
  554   1HD2  LEU  71          3HD2      LEU  71  -7.921  -1.918  -8.766
  555   2HD2  LEU  71          1HD2      LEU  71  -8.320  -3.572  -8.273
  556   3HD2  LEU  71          2HD2      LEU  71  -9.609  -2.382  -8.425
  557    H    ASP  72           H        ASP  72  -9.610   1.850  -4.815
  558    HA   ASP  72           HA       ASP  72 -11.687   0.866  -3.100
  559   1HB   ASP  72          1HB       ASP  72 -10.077   2.452  -2.258
  560   2HB   ASP  72          2HB       ASP  72 -10.446   3.617  -3.502
  561    H    ALA  73           H        ALA  73 -11.635   3.515  -5.491
  562    HA   ALA  73           HA       ALA  73 -14.317   4.126  -5.185
  563   1HB   ALA  73          2HB       ALA  73 -12.434   4.627  -7.504
  564   2HB   ALA  73          3HB       ALA  73 -13.978   5.473  -7.278
  565   3HB   ALA  73          1HB       ALA  73 -12.665   5.672  -6.093
  566    H    ARG  74           H        ARG  74 -13.027   1.719  -7.357
  567    HA   ARG  74           HA       ARG  74 -15.588   1.323  -8.718
  568   1HB   ARG  74          1HB       ARG  74 -14.466  -0.290  -9.963
  569   2HB   ARG  74          2HB       ARG  74 -13.326   1.022  -9.760
  570   1HG   ARG  74          1HG       ARG  74 -12.155  -0.271  -8.032
  571   2HG   ARG  74          2HG       ARG  74 -13.279  -1.605  -8.179
  572   1HD   ARG  74          1HD       ARG  74 -12.142  -0.786 -10.790
  573   2HD   ARG  74          2HD       ARG  74 -10.900  -1.234  -9.653
  574    HE   ARG  74           HE       ARG  74 -11.846  -3.437  -9.424
  575   1HH1  ARG  74          2HH2      ARG  74 -12.945  -1.680 -12.286
  576   2HH1  ARG  74          1HH2      ARG  74 -13.920  -2.982 -12.890
  577   1HH2  ARG  74          2HH1      ARG  74 -12.892  -5.271 -10.347
  578   2HH2  ARG  74          1HH1      ARG  74 -13.701  -5.115 -11.850
  579    H    GLY  75           H        GLY  75 -14.250   0.337  -5.750
  580   1HA   GLY  75          1HA       GLY  75 -15.145  -1.014  -4.104
  581   2HA   GLY  75          2HA       GLY  75 -16.433  -1.519  -5.214
  582    H    GLY  76           H        GLY  76 -12.797  -1.797  -5.107
  583   1HA   GLY  76          1HA       GLY  76 -13.166  -4.765  -5.165
  584   2HA   GLY  76          2HA       GLY  76 -11.897  -3.961  -6.101
  585    H    LEU  77           H        LEU  77 -11.594  -1.927  -3.775
  586    HA   LEU  77           HA       LEU  77  -9.893  -3.485  -1.970
  587   1HB   LEU  77          1HB       LEU  77  -9.513  -1.050  -2.648
  588   2HB   LEU  77          2HB       LEU  77 -10.912  -0.597  -1.703
  589    HG   LEU  77           HG       LEU  77  -8.271  -1.643  -0.743
  590   1HD1  LEU  77          1HD1      LEU  77  -8.592   0.802  -1.274
  591   2HD1  LEU  77          2HD1      LEU  77  -9.842   0.867  -0.025
  592   3HD1  LEU  77          3HD1      LEU  77  -8.164   0.497   0.421
  593   1HD2  LEU  77          2HD2      LEU  77 -10.740  -1.312   0.990
  594   2HD2  LEU  77          3HD2      LEU  77  -9.773  -2.789   0.743
  595   3HD2  LEU  77          1HD2      LEU  77  -9.079  -1.422   1.605
  596    H    ASP  78           H        ASP  78 -12.833  -1.511  -1.675
  597    HA   ASP  78           HA       ASP  78 -13.434  -2.050   0.900
  598   1HB   ASP  78          1HB       ASP  78 -14.492  -0.449  -0.955
  599   2HB   ASP  78          2HB       ASP  78 -15.776  -1.647  -0.935
  600    HA   PRO  79           HA       PRO  79 -16.396  -5.663   0.086
  601   1HB   PRO  79          1HB       PRO  79 -16.280  -7.158  -2.204
  602   2HB   PRO  79          2HB       PRO  79 -17.316  -5.708  -2.012
  603   1HG   PRO  79          1HG       PRO  79 -14.574  -5.891  -3.293
  604   2HG   PRO  79          2HG       PRO  79 -16.059  -5.101  -3.922
  605   1HD   PRO  79          1HD       PRO  79 -14.124  -3.696  -2.669
  606   2HD   PRO  79          2HD       PRO  79 -15.851  -3.297  -2.436
  607    H    LEU  80           H        LEU  80 -13.011  -5.816  -1.029
  608    HA   LEU  80           HA       LEU  80 -12.750  -8.619  -0.179
  609   1HB   LEU  80          1HB       LEU  80 -10.972  -6.596  -1.503
  610   2HB   LEU  80          2HB       LEU  80 -10.172  -7.795  -0.507
  611    HG   LEU  80           HG       LEU  80 -12.133  -8.522  -2.712
  612   1HD1  LEU  80          1HD1      LEU  80 -10.118  -7.418  -3.637
  613   2HD1  LEU  80          2HD1      LEU  80  -9.096  -8.577  -2.743
  614   3HD1  LEU  80          3HD1      LEU  80 -10.164  -9.138  -4.040
  615   1HD2  LEU  80          2HD2      LEU  80 -10.115 -10.173  -1.089
  616   2HD2  LEU  80          3HD2      LEU  80 -11.880 -10.346  -1.039
  617   3HD2  LEU  80          1HD2      LEU  80 -10.997 -10.780  -2.498
  618    H    LEU  81           H        LEU  81 -12.917  -5.645   1.415
  619    HA   LEU  81           HA       LEU  81 -11.023  -6.136   3.514
  620   1HB   LEU  81          1HB       LEU  81 -12.468  -4.005   2.657
  621   2HB   LEU  81          2HB       LEU  81 -13.542  -4.535   3.932
  622    HG   LEU  81           HG       LEU  81 -12.067  -2.733   4.602
  623   1HD1  LEU  81          3HD1      LEU  81 -12.666  -4.378   6.374
  624   2HD1  LEU  81          1HD1      LEU  81 -11.118  -5.196   6.093
  625   3HD1  LEU  81          2HD1      LEU  81 -11.143  -3.525   6.660
  626   1HD2  LEU  81          3HD2      LEU  81 -10.212  -3.323   3.027
  627   2HD2  LEU  81          1HD2      LEU  81  -9.700  -2.834   4.642
  628   3HD2  LEU  81          2HD2      LEU  81  -9.664  -4.548   4.187
  629    H    LYS  82           H        LYS  82 -14.072  -7.602   2.755
  630    HA   LYS  82           HA       LYS  82 -14.972  -8.166   5.408
  631   1HB   LYS  82          1HB       LYS  82 -15.750  -8.906   2.643
  632   2HB   LYS  82          2HB       LYS  82 -15.985 -10.217   3.771
  633   1HG   LYS  82          1HG       LYS  82 -17.155  -7.416   4.099
  634   2HG   LYS  82          2HG       LYS  82 -17.999  -8.840   3.499
  635   1HD   LYS  82          1HD       LYS  82 -18.670  -9.141   5.634
  636   2HD   LYS  82          2HD       LYS  82 -17.071  -9.840   5.872
  637   1HE   LYS  82          1HE       LYS  82 -16.385  -7.304   6.361
  638   2HE   LYS  82          2HE       LYS  82 -18.120  -7.093   6.616
  639   1HZ   LYS  82          3HZ       LYS  82 -17.973  -8.854   8.315
  640   2HZ   LYS  82          1HZ       LYS  82 -16.356  -9.000   8.042
  641   3HZ   LYS  82          2HZ       LYS  82 -16.934  -7.627   8.668
  642   1HB2  GTT  83          1HB2      GTT  83   9.563   7.571  -3.455
  643   2HB2  GTT  83          2HB2      GTT  83  10.709   8.608  -4.294
  644    HA2  GTT  83           HA2      GTT  83  10.146   7.828  -6.396
  645    HN2  GTT  83           HN2      GTT  83   7.476   7.293  -5.275
  646   1HG1  GTT  83          1HG1      GTT  83   5.932   7.722  -7.817
  647   2HG1  GTT  83          2HG1      GTT  83   5.830   6.449  -6.601
  648   1HB1  GTT  83          1HB1      GTT  83   6.241   4.726  -8.175
  649   2HB1  GTT  83          2HB1      GTT  83   6.724   5.868  -9.432
  650    HA1  GTT  83           HA1      GTT  83   3.921   5.835  -8.319
  651   1HN1  GTT  83          1HN1      GTT  83   3.396   4.542 -10.200
  652   2HN1  GTT  83          2HN1      GTT  83   4.966   4.513 -10.705
  653   3HN1  GTT  83          3HN1      GTT  83   4.497   3.690  -9.334
  654    HN3  GTT  83           HN3      GTT  83  11.750   6.251  -6.431
  655   1HA3  GTT  83          1HA3      GTT  83  11.556   3.818  -4.794
  656   2HA3  GTT  83          2HA3      GTT  83  11.500   3.623  -6.565
   
  No H/Q in entry =         656
  Start of MODEL   15
    1   1H    ALA   1          3H        ALA   1  -8.858  -7.852   8.187
    2   2H    ALA   1          1H        ALA   1  -9.877  -8.889   7.391
    3   3H    ALA   1          2H        ALA   1  -8.594  -9.463   8.260
    4    HA   ALA   1           HA       ALA   1  -8.101  -9.601   5.966
    5   1HB   ALA   1          3HB       ALA   1  -9.578  -7.723   5.225
    6   2HB   ALA   1          1HB       ALA   1  -8.440  -6.566   5.933
    7   3HB   ALA   1          2HB       ALA   1  -7.953  -7.595   4.569
    8    H    ASN   2           H        ASN   2  -6.039  -8.541   4.977
    9    HA   ASN   2           HA       ASN   2  -4.006  -7.917   7.074
   10   1HB   ASN   2          1HB       ASN   2  -4.095 -10.266   6.137
   11   2HB   ASN   2          2HB       ASN   2  -3.696  -9.623   4.556
   12   1HD2  ASN   2          2HD2      ASN   2  -0.307  -8.658   5.812
   13   2HD2  ASN   2          1HD2      ASN   2  -1.595  -8.007   4.797
   14    H    VAL   3           H        VAL   3  -4.950  -5.639   6.279
   15    HA   VAL   3           HA       VAL   3  -3.985  -4.816   3.625
   16    HB   VAL   3           HB       VAL   3  -5.321  -3.194   5.840
   17   1HG1  VAL   3          3HG1      VAL   3  -4.059  -1.771   4.247
   18   2HG1  VAL   3          1HG1      VAL   3  -4.909  -2.518   2.887
   19   3HG1  VAL   3          2HG1      VAL   3  -5.804  -1.549   4.072
   20   1HG2  VAL   3          2HG2      VAL   3  -6.547  -4.461   3.350
   21   2HG2  VAL   3          3HG2      VAL   3  -6.883  -4.911   5.033
   22   3HG2  VAL   3          1HG2      VAL   3  -7.362  -3.324   4.428
   23    H    GLU   4           H        GLU   4  -1.901  -4.118   3.319
   24    HA   GLU   4           HA       GLU   4  -0.559  -2.712   5.554
   25   1HB   GLU   4          1HB       GLU   4   1.005  -4.625   3.828
   26   2HB   GLU   4          2HB       GLU   4   1.408  -3.923   5.385
   27   1HG   GLU   4          1HG       GLU   4  -0.181  -5.370   6.535
   28   2HG   GLU   4          2HG       GLU   4  -0.779  -6.011   5.003
   29    H    ILE   5           H        ILE   5   1.082  -1.184   4.783
   30    HA   ILE   5           HA       ILE   5   1.150  -0.722   1.871
   31    HB   ILE   5           HB       ILE   5  -0.665   0.672   2.567
   32   1HG1  ILE   5          1HG1      ILE   5   1.888   2.220   1.912
   33   2HG1  ILE   5          2HG1      ILE   5   0.836   1.418   0.780
   34   1HG2  ILE   5          2HG2      ILE   5  -0.060   0.979   4.978
   35   2HG2  ILE   5          3HG2      ILE   5   1.160   2.168   4.475
   36   3HG2  ILE   5          1HG2      ILE   5  -0.564   2.460   4.164
   37   1HD1  ILE   5          2HD1      ILE   5  -1.016   3.024   1.528
   38   2HD1  ILE   5          3HD1      ILE   5   0.278   3.915   2.376
   39   3HD1  ILE   5          1HD1      ILE   5   0.362   3.697   0.630
   40    H    TYR   6           H        TYR   6   3.107  -0.561   1.221
   41    HA   TYR   6           HA       TYR   6   5.431  -0.181   2.986
   42   1HB   TYR   6          1HB       TYR   6   4.971  -0.650   0.018
   43   2HB   TYR   6          2HB       TYR   6   6.547  -0.244   0.653
   44    HD1  TYR   6           HD1      TYR   6   7.195  -1.624   2.923
   45    HD2  TYR   6           HD2      TYR   6   4.498  -2.964  -0.174
   46    HE1  TYR   6           HE1      TYR   6   7.576  -3.942   3.613
   47    HE2  TYR   6           HE2      TYR   6   4.848  -5.317   0.552
   48    HH   TYR   6           HH       TYR   6   5.499  -6.461   2.662
   49    H    THR   7           H        THR   7   6.191   1.796   3.555
   50    HA   THR   7           HA       THR   7   5.750   4.083   1.725
   51    HB   THR   7           HB       THR   7   5.130   5.401   3.773
   52    HG1  THR   7           HG1      THR   7   4.628   4.346   5.612
   53   1HG2  THR   7          2HG2      THR   7   3.289   4.489   2.330
   54   2HG2  THR   7          3HG2      THR   7   3.246   3.050   3.385
   55   3HG2  THR   7          1HG2      THR   7   2.839   4.623   4.047
   56    H    LYS   8           H        LYS   8   7.150   5.950   2.471
   57    HA   LYS   8           HA       LYS   8   9.255   5.215   4.318
   58   1HB   LYS   8          1HB       LYS   8  11.097   5.914   2.988
   59   2HB   LYS   8          2HB       LYS   8  10.302   4.588   2.196
   60   1HG   LYS   8          1HG       LYS   8   9.511   5.983   0.439
   61   2HG   LYS   8          2HG       LYS   8   9.776   7.449   1.335
   62   1HD   LYS   8          1HD       LYS   8  11.615   7.315  -0.202
   63   2HD   LYS   8          2HD       LYS   8  12.285   6.928   1.365
   64   1HE   LYS   8          1HE       LYS   8  12.249   4.568   0.961
   65   2HE   LYS   8          2HE       LYS   8  11.213   4.732  -0.464
   66   1HZ   LYS   8          2HZ       LYS   8  13.885   5.930  -0.520
   67   2HZ   LYS   8          3HZ       LYS   8  13.668   4.308  -0.730
   68   3HZ   LYS   8          1HZ       LYS   8  12.938   5.361  -1.751
   69    H    GLU   9           H        GLU   9  10.437   7.298   4.849
   70    HA   GLU   9           HA       GLU   9   8.825   9.591   5.301
   71   1HB   GLU   9          1HB       GLU   9  11.049   8.687   6.413
   72   2HB   GLU   9          2HB       GLU   9  11.863   9.540   5.104
   73   1HG   GLU   9          1HG       GLU   9  10.690  11.646   5.829
   74   2HG   GLU   9          2HG       GLU   9   9.980  10.749   7.179
   75    H    THR  10           H        THR  10   9.397  11.774   4.342
   76    HA   THR  10           HA       THR  10   9.730  13.289   2.843
   77    HB   THR  10           HB       THR  10  11.547  13.198   1.282
   78    HG1  THR  10           HG1      THR  10  11.475  10.434   1.815
   79   1HG2  THR  10          1HG2      THR  10  12.086  13.481   3.699
   80   2HG2  THR  10          2HG2      THR  10  12.348  11.726   3.834
   81   3HG2  THR  10          3HG2      THR  10  13.384  12.692   2.779
   82    H    CYS  11           H        CYS  11   9.213  10.232   1.047
   83    HA   CYS  11           HA       CYS  11   8.365  11.468  -1.361
   84   1HB   CYS  11          1HB       CYS  11   9.062   9.169  -1.345
   85   2HB   CYS  11          2HB       CYS  11   7.844   8.749  -0.147
   86    HA   PRO  12           HA       PRO  12   4.419  12.810   0.446
   87   1HB   PRO  12          1HB       PRO  12   3.419  14.313  -1.521
   88   2HB   PRO  12          2HB       PRO  12   4.766  14.881  -0.479
   89   1HG   PRO  12          1HG       PRO  12   4.945  13.697  -3.271
   90   2HG   PRO  12          2HG       PRO  12   5.809  15.119  -2.611
   91   1HD   PRO  12          1HD       PRO  12   6.947  12.623  -2.754
   92   2HD   PRO  12          2HD       PRO  12   7.332  13.781  -1.447
   93    H    TYR  13           H        TYR  13   4.650  11.471  -2.889
   94    HA   TYR  13           HA       TYR  13   1.992  10.529  -3.194
   95   1HB   TYR  13          1HB       TYR  13   3.715  10.670  -4.959
   96   2HB   TYR  13          2HB       TYR  13   4.744   9.565  -4.103
   97    HD1  TYR  13           HD2      TYR  13   1.422   9.733  -5.881
   98    HD2  TYR  13           HD1      TYR  13   4.838   7.359  -4.743
   99    HE1  TYR  13           HE2      TYR  13   0.709   7.955  -7.447
  100    HE2  TYR  13           HE1      TYR  13   4.157   5.605  -6.330
  101    HH   TYR  13           HH       TYR  13   1.206   5.876  -8.373
  102    H    SER  14           H        SER  14   4.645   9.283  -1.193
  103    HA   SER  14           HA       SER  14   3.272   6.846  -0.420
  104   1HB   SER  14          1HB       SER  14   5.479   6.574  -0.084
  105   2HB   SER  14          2HB       SER  14   5.783   8.242   0.357
  106    HG   SER  14           HG       SER  14   5.762   7.661   2.328
  107    H    HIS  15           H        HIS  15   3.714  10.070   1.079
  108    HA   HIS  15           HA       HIS  15   2.077   9.456   3.352
  109   1HB   HIS  15          1HB       HIS  15   2.704  12.167   2.112
  110   2HB   HIS  15          2HB       HIS  15   1.810  11.967   3.607
  111    HD1  HIS  15           HD1      HIS  15   3.214  10.788   5.753
  112    HD2  HIS  15           HD2      HIS  15   5.349  12.236   2.380
  113    HE1  HIS  15           HE1      HIS  15   5.661  10.948   6.420
  114    HE2  HIS  15           HE2      HIS  15   6.920  11.899   4.477
  115    H    ARG  16           H        ARG  16   1.082  11.087   0.329
  116    HA   ARG  16           HA       ARG  16  -1.610  11.470   0.769
  117   1HB   ARG  16          1HB       ARG  16   0.159  10.989  -1.553
  118   2HB   ARG  16          2HB       ARG  16  -1.440  10.387  -1.855
  119   1HG   ARG  16          1HG       ARG  16  -2.374  12.626  -1.201
  120   2HG   ARG  16          2HG       ARG  16  -0.709  13.214  -1.020
  121   1HD   ARG  16          1HD       ARG  16  -0.264  12.654  -3.403
  122   2HD   ARG  16          2HD       ARG  16  -1.930  12.062  -3.579
  123    HE   ARG  16           HE       ARG  16  -2.470  14.492  -2.701
  124   1HH1  ARG  16          2HH2      ARG  16  -0.540  13.483  -5.517
  125   2HH1  ARG  16          1HH2      ARG  16  -0.356  15.092  -6.115
  126   1HH2  ARG  16          2HH1      ARG  16  -2.352  16.570  -3.620
  127   2HH2  ARG  16          1HH1      ARG  16  -1.469  16.863  -5.080
  128    H    ALA  17           H        ALA  17  -0.099   8.296  -0.069
  129    HA   ALA  17           HA       ALA  17  -2.610   7.133  -0.597
  130   1HB   ALA  17          3HB       ALA  17  -0.462   6.239  -1.413
  131   2HB   ALA  17          1HB       ALA  17   0.013   5.854   0.249
  132   3HB   ALA  17          2HB       ALA  17  -1.347   4.987  -0.511
  133    H    LYS  18           H        LYS  18  -1.089   7.594   2.485
  134    HA   LYS  18           HA       LYS  18  -2.842   5.616   3.815
  135   1HB   LYS  18          1HB       LYS  18  -1.184   7.767   5.159
  136   2HB   LYS  18          2HB       LYS  18  -1.930   6.348   5.894
  137   1HG   LYS  18          1HG       LYS  18   0.165   5.443   5.616
  138   2HG   LYS  18          2HG       LYS  18  -0.498   5.063   4.044
  139   1HD   LYS  18          1HD       LYS  18   1.352   6.130   3.250
  140   2HD   LYS  18          2HD       LYS  18   0.452   7.586   3.534
  141   1HE   LYS  18          1HE       LYS  18   2.535   6.336   5.316
  142   2HE   LYS  18          2HE       LYS  18   2.654   7.877   4.492
  143   1HZ   LYS  18          1HZ       LYS  18   0.837   7.256   6.764
  144   2HZ   LYS  18          2HZ       LYS  18   2.196   8.127   6.861
  145   3HZ   LYS  18          3HZ       LYS  18   0.915   8.718   6.020
  146    H    ALA  19           H        ALA  19  -2.876   9.106   3.113
  147    HA   ALA  19           HA       ALA  19  -5.053   9.705   4.901
  148   1HB   ALA  19          1HB       ALA  19  -3.512  11.405   3.999
  149   2HB   ALA  19          2HB       ALA  19  -4.104  11.092   2.347
  150   3HB   ALA  19          3HB       ALA  19  -5.184  11.778   3.566
  151    H    LEU  20           H        LEU  20  -4.880   8.319   1.666
  152    HA   LEU  20           HA       LEU  20  -7.707   8.489   1.076
  153   1HB   LEU  20          1HB       LEU  20  -6.027   8.026  -0.611
  154   2HB   LEU  20          2HB       LEU  20  -5.556   6.518   0.160
  155    HG   LEU  20           HG       LEU  20  -8.339   6.989  -0.996
  156   1HD1  LEU  20          3HD1      LEU  20  -6.559   7.229  -2.717
  157   2HD1  LEU  20          1HD1      LEU  20  -5.928   5.625  -2.278
  158   3HD1  LEU  20          2HD1      LEU  20  -7.556   5.794  -2.968
  159   1HD2  LEU  20          2HD2      LEU  20  -6.836   4.441  -0.215
  160   2HD2  LEU  20          3HD2      LEU  20  -8.397   4.996   0.411
  161   3HD2  LEU  20          1HD2      LEU  20  -8.260   4.434  -1.253
  162    H    LEU  21           H        LEU  21  -5.723   5.777   2.372
  163    HA   LEU  21           HA       LEU  21  -7.965   4.127   2.983
  164   1HB   LEU  21          1HB       LEU  21  -5.085   4.267   3.948
  165   2HB   LEU  21          2HB       LEU  21  -6.192   3.129   4.679
  166    HG   LEU  21           HG       LEU  21  -6.324   3.050   1.720
  167   1HD1  LEU  21          3HD1      LEU  21  -3.699   2.334   3.066
  168   2HD1  LEU  21          1HD1      LEU  21  -4.185   1.838   1.426
  169   3HD1  LEU  21          2HD1      LEU  21  -3.977   3.544   1.794
  170   1HD2  LEU  21          1HD2      LEU  21  -5.824   0.933   3.850
  171   2HD2  LEU  21          2HD2      LEU  21  -7.385   1.363   3.113
  172   3HD2  LEU  21          3HD2      LEU  21  -6.125   0.613   2.130
  173    H    SER  22           H        SER  22  -6.347   6.624   4.984
  174    HA   SER  22           HA       SER  22  -7.934   6.123   7.299
  175   1HB   SER  22          1HB       SER  22  -5.788   7.446   7.233
  176   2HB   SER  22          2HB       SER  22  -6.685   8.778   6.469
  177    HG   SER  22           HG       SER  22  -7.369   7.497   8.925
  178    H    SER  23           H        SER  23  -8.443   8.356   4.460
  179    HA   SER  23           HA       SER  23 -10.857   9.493   5.398
  180   1HB   SER  23          1HB       SER  23  -9.557  10.308   3.478
  181   2HB   SER  23          2HB       SER  23  -9.950   8.851   2.553
  182    HG   SER  23           HG       SER  23 -11.867  10.657   3.615
  183    H    LYS  24           H        LYS  24 -10.218   6.283   4.070
  184    HA   LYS  24           HA       LYS  24 -13.106   5.656   3.886
  185   1HB   LYS  24          1HB       LYS  24 -10.626   4.032   3.225
  186   2HB   LYS  24          2HB       LYS  24 -12.304   3.532   2.935
  187   1HG   LYS  24          1HG       LYS  24 -12.592   5.549   1.473
  188   2HG   LYS  24          2HG       LYS  24 -10.901   5.960   1.712
  189   1HD   LYS  24          1HD       LYS  24 -10.323   3.650   0.820
  190   2HD   LYS  24          2HD       LYS  24 -12.026   3.499   0.366
  191   1HE   LYS  24          1HE       LYS  24 -10.268   5.848  -0.497
  192   2HE   LYS  24          2HE       LYS  24 -10.368   4.339  -1.425
  193   1HZ   LYS  24          1HZ       LYS  24 -12.682   4.655  -1.674
  194   2HZ   LYS  24          2HZ       LYS  24 -12.635   6.117  -0.856
  195   3HZ   LYS  24          3HZ       LYS  24 -11.832   5.915  -2.300
  196    H    GLY  25           H        GLY  25 -11.081   5.893   6.468
  197   1HA   GLY  25          1HA       GLY  25 -11.441   5.248   8.627
  198   2HA   GLY  25          2HA       GLY  25 -12.878   4.371   8.089
  199    H    VAL  26           H        VAL  26  -9.740   3.560   6.627
  200    HA   VAL  26           HA       VAL  26 -10.270   0.839   7.470
  201    HB   VAL  26           HB       VAL  26  -8.028   1.983   5.772
  202   1HG1  VAL  26          1HG1      VAL  26  -8.972  -0.856   6.169
  203   2HG1  VAL  26          2HG1      VAL  26  -8.096  -0.354   4.712
  204   3HG1  VAL  26          3HG1      VAL  26  -7.328  -0.204   6.286
  205   1HG2  VAL  26          1HG2      VAL  26 -10.835   1.021   5.060
  206   2HG2  VAL  26          2HG2      VAL  26 -10.128   2.590   4.751
  207   3HG2  VAL  26          3HG2      VAL  26  -9.552   1.199   3.847
  208    H    SER  27           H        SER  27  -8.725  -0.563   8.330
  209    HA   SER  27           HA       SER  27  -6.740   0.549  10.243
  210   1HB   SER  27          1HB       SER  27  -8.139  -2.149  10.344
  211   2HB   SER  27          2HB       SER  27  -7.074  -1.428  11.572
  212    HG   SER  27           HG       SER  27  -9.649  -0.639  10.706
  213    H    PHE  28           H        PHE  28  -4.724   0.286   9.468
  214    HA   PHE  28           HA       PHE  28  -4.052  -1.940   7.680
  215   1HB   PHE  28          1HB       PHE  28  -2.971  -0.387   6.080
  216   2HB   PHE  28          2HB       PHE  28  -4.716  -0.254   6.115
  217    HD1  PHE  28           HD1      PHE  28  -5.845   1.756   6.974
  218    HD2  PHE  28           HD2      PHE  28  -1.538   1.497   6.882
  219    HE1  PHE  28           HE1      PHE  28  -5.695   4.208   7.247
  220    HE2  PHE  28           HE2      PHE  28  -1.392   3.958   7.131
  221    HZ   PHE  28           HZ       PHE  28  -3.478   5.324   7.299
  222    H    GLN  29           H        GLN  29  -1.633  -1.913   7.308
  223    HA   GLN  29           HA       GLN  29  -0.174  -1.210   9.772
  224   1HB   GLN  29          1HB       GLN  29  -0.705  -3.695   9.274
  225   2HB   GLN  29          2HB       GLN  29   0.351  -3.557   7.887
  226   1HG   GLN  29          1HG       GLN  29   2.222  -2.894   9.382
  227   2HG   GLN  29          2HG       GLN  29   1.140  -3.003  10.779
  228   1HE2  GLN  29          2HE2      GLN  29   3.115  -6.276  10.030
  229   2HE2  GLN  29          1HE2      GLN  29   3.646  -4.612   9.877
  230    H    GLU  30           H        GLU  30   0.693   0.665   9.053
  231    HA   GLU  30           HA       GLU  30   1.916   1.016   6.450
  232   1HB   GLU  30          1HB       GLU  30   1.496   2.690   8.673
  233   2HB   GLU  30          2HB       GLU  30   3.253   2.432   8.673
  234   1HG   GLU  30          1HG       GLU  30   3.086   2.969   6.145
  235   2HG   GLU  30          2HG       GLU  30   1.461   3.550   6.488
  236    H    LEU  31           H        LEU  31   4.027   0.531   5.772
  237    HA   LEU  31           HA       LEU  31   5.729  -1.148   7.560
  238   1HB   LEU  31          1HB       LEU  31   4.961  -1.605   4.674
  239   2HB   LEU  31          2HB       LEU  31   6.274  -2.440   5.506
  240    HG   LEU  31           HG       LEU  31   3.328  -2.543   6.301
  241   1HD1  LEU  31          2HD1      LEU  31   5.154  -4.566   4.969
  242   2HD1  LEU  31          3HD1      LEU  31   3.489  -4.871   5.498
  243   3HD1  LEU  31          1HD1      LEU  31   3.799  -3.691   4.207
  244   1HD2  LEU  31          2HD2      LEU  31   5.750  -4.025   7.417
  245   2HD2  LEU  31          3HD2      LEU  31   4.652  -2.929   8.301
  246   3HD2  LEU  31          1HD2      LEU  31   4.060  -4.484   7.703
  247    HA   PRO  32           HA       PRO  32   8.135   2.449   6.108
  248   1HB   PRO  32          1HB       PRO  32  10.109   1.605   8.176
  249   2HB   PRO  32          2HB       PRO  32   9.250   3.151   8.032
  250   1HG   PRO  32          1HG       PRO  32   8.706   1.242   9.975
  251   2HG   PRO  32          2HG       PRO  32   7.492   2.397   9.362
  252   1HD   PRO  32          1HD       PRO  32   7.844  -0.505   8.686
  253   2HD   PRO  32          2HD       PRO  32   6.345   0.467   8.765
  254    H    ILE  33           H        ILE  33   9.692   2.511   4.612
  255    HA   ILE  33           HA       ILE  33  11.963   0.585   4.710
  256    HB   ILE  33           HB       ILE  33  12.008   0.848   2.187
  257   1HG1  ILE  33          1HG1      ILE  33   9.979   2.497   2.230
  258   2HG1  ILE  33          2HG1      ILE  33  10.341   1.439   0.894
  259   1HG2  ILE  33          3HG2      ILE  33  11.739  -1.222   3.374
  260   2HG2  ILE  33          1HG2      ILE  33   9.991  -0.946   3.562
  261   3HG2  ILE  33          2HG2      ILE  33  10.699  -1.180   1.953
  262   1HD1  ILE  33          2HD1      ILE  33   8.295   0.736   2.984
  263   2HD1  ILE  33          3HD1      ILE  33   7.958   1.506   1.418
  264   3HD1  ILE  33          1HD1      ILE  33   8.645  -0.120   1.469
  265    H    ASP  34           H        ASP  34  11.323   3.719   5.314
  266    HA   ASP  34           HA       ASP  34  13.618   4.766   3.803
  267   1HB   ASP  34          1HB       ASP  34  11.719   6.230   4.936
  268   2HB   ASP  34          2HB       ASP  34  12.685   6.029   6.385
  269    H    GLY  35           H        GLY  35  15.777   4.590   4.520
  270   1HA   GLY  35          1HA       GLY  35  17.541   3.902   5.877
  271   2HA   GLY  35          2HA       GLY  35  16.419   3.584   7.204
  272    H    ASN  36           H        ASN  36  14.717   1.757   6.357
  273    HA   ASN  36           HA       ASN  36  16.317  -0.642   6.366
  274   1HB   ASN  36          1HB       ASN  36  14.449  -0.882   7.687
  275   2HB   ASN  36          2HB       ASN  36  13.406   0.052   6.622
  276   1HD2  ASN  36          2HD2      ASN  36  11.846  -2.851   5.441
  277   2HD2  ASN  36          1HD2      ASN  36  11.701  -1.241   6.060
  278    H    ALA  37           H        ALA  37  17.147  -1.570   4.613
  279    HA   ALA  37           HA       ALA  37  15.809  -1.259   1.985
  280   1HB   ALA  37          2HB       ALA  37  18.120  -0.424   2.235
  281   2HB   ALA  37          3HB       ALA  37  18.656  -2.075   2.638
  282   3HB   ALA  37          1HB       ALA  37  17.953  -1.721   1.043
  283    H    ALA  38           H        ALA  38  16.397  -3.691   4.376
  284    HA   ALA  38           HA       ALA  38  16.598  -5.947   2.639
  285   1HB   ALA  38          1HB       ALA  38  15.485  -5.789   5.487
  286   2HB   ALA  38          2HB       ALA  38  15.872  -7.283   4.622
  287   3HB   ALA  38          3HB       ALA  38  17.162  -6.150   5.018
  288    H    LYS  39           H        LYS  39  13.752  -4.805   4.497
  289    HA   LYS  39           HA       LYS  39  11.977  -6.424   2.919
  290   1HB   LYS  39          1HB       LYS  39  11.866  -4.843   5.336
  291   2HB   LYS  39          2HB       LYS  39  10.529  -4.351   4.302
  292   1HG   LYS  39          1HG       LYS  39  11.143  -7.313   4.665
  293   2HG   LYS  39          2HG       LYS  39  10.376  -6.447   5.977
  294   1HD   LYS  39          1HD       LYS  39   9.119  -5.899   3.325
  295   2HD   LYS  39          2HD       LYS  39   9.033  -7.590   3.801
  296   1HE   LYS  39          1HE       LYS  39   8.449  -5.472   5.869
  297   2HE   LYS  39          2HE       LYS  39   7.213  -5.807   4.646
  298   1HZ   LYS  39          1HZ       LYS  39   8.375  -8.121   5.951
  299   2HZ   LYS  39          2HZ       LYS  39   7.352  -7.224   6.870
  300   3HZ   LYS  39          3HZ       LYS  39   6.866  -7.890   5.428
  301    H    ARG  40           H        ARG  40  13.270  -3.267   2.424
  302    HA   ARG  40           HA       ARG  40  11.453  -2.419   0.359
  303   1HB   ARG  40          1HB       ARG  40  13.355  -1.108   1.533
  304   2HB   ARG  40          2HB       ARG  40  14.426  -1.823   0.349
  305   1HG   ARG  40          1HG       ARG  40  11.908  -0.267  -0.398
  306   2HG   ARG  40          2HG       ARG  40  13.422   0.530  -0.037
  307   1HD   ARG  40          1HD       ARG  40  12.851  -1.326  -2.372
  308   2HD   ARG  40          2HD       ARG  40  13.221   0.383  -2.434
  309    HE   ARG  40           HE       ARG  40  15.088  -1.796  -2.377
  310   1HH1  ARG  40          2HH2      ARG  40  14.912   1.646  -1.475
  311   2HH1  ARG  40          1HH2      ARG  40  16.539   1.689  -0.858
  312   1HH2  ARG  40          2HH1      ARG  40  17.240  -1.630  -1.925
  313   2HH2  ARG  40          1HH1      ARG  40  17.973  -0.149  -1.371
  314    H    GLU  41           H        GLU  41  14.473  -4.445   0.232
  315    HA   GLU  41           HA       GLU  41  14.218  -4.928  -2.549
  316   1HB   GLU  41          1HB       GLU  41  16.310  -5.225  -1.290
  317   2HB   GLU  41          2HB       GLU  41  15.623  -6.620  -0.455
  318   1HG   GLU  41          1HG       GLU  41  16.030  -8.003  -2.196
  319   2HG   GLU  41          2HG       GLU  41  15.275  -6.915  -3.346
  320    H    GLU  42           H        GLU  42  12.958  -6.787   0.279
  321    HA   GLU  42           HA       GLU  42  11.866  -9.009  -1.022
  322   1HB   GLU  42          1HB       GLU  42  11.783  -8.737   1.400
  323   2HB   GLU  42          2HB       GLU  42  10.740  -7.335   1.248
  324   1HG   GLU  42          1HG       GLU  42   9.407  -9.155   1.996
  325   2HG   GLU  42          2HG       GLU  42   8.898  -8.727   0.377
  326    H    MET  43           H        MET  43  10.307  -5.819  -0.609
  327    HA   MET  43           HA       MET  43   7.904  -6.335  -1.938
  328   1HB   MET  43          1HB       MET  43   8.102  -4.478  -0.638
  329   2HB   MET  43          2HB       MET  43   9.533  -3.865  -1.443
  330   1HG   MET  43          1HG       MET  43   6.894  -4.009  -2.906
  331   2HG   MET  43          2HG       MET  43   7.257  -2.676  -1.812
  332   1HE   MET  43          2HE       MET  43   8.798  -0.715  -2.234
  333   2HE   MET  43          3HE       MET  43  10.164  -1.839  -2.062
  334   3HE   MET  43          1HE       MET  43  10.118  -0.707  -3.422
  335    H    ILE  44           H        ILE  44  11.068  -5.586  -3.373
  336    HA   ILE  44           HA       ILE  44  10.140  -4.899  -5.981
  337    HB   ILE  44           HB       ILE  44  12.721  -6.297  -5.223
  338   1HG1  ILE  44          1HG1      ILE  44  12.065  -3.322  -5.289
  339   2HG1  ILE  44          2HG1      ILE  44  12.465  -4.289  -3.890
  340   1HG2  ILE  44          3HG2      ILE  44  12.190  -6.270  -7.680
  341   2HG2  ILE  44          1HG2      ILE  44  12.102  -4.484  -7.595
  342   3HG2  ILE  44          2HG2      ILE  44  13.624  -5.336  -7.285
  343   1HD1  ILE  44          2HD1      ILE  44  14.747  -4.719  -4.823
  344   2HD1  ILE  44          3HD1      ILE  44  14.377  -3.539  -6.101
  345   3HD1  ILE  44          1HD1      ILE  44  14.395  -3.026  -4.412
  346    H    LYS  45           H        LYS  45  10.981  -8.107  -4.504
  347    HA   LYS  45           HA       LYS  45  10.241  -9.611  -6.871
  348   1HB   LYS  45          1HB       LYS  45  11.368 -10.272  -4.330
  349   2HB   LYS  45          2HB       LYS  45   9.807 -11.061  -4.352
  350   1HG   LYS  45          1HG       LYS  45  11.286 -12.638  -5.281
  351   2HG   LYS  45          2HG       LYS  45  10.404 -11.984  -6.667
  352   1HD   LYS  45          1HD       LYS  45  12.410 -10.400  -7.033
  353   2HD   LYS  45          2HD       LYS  45  13.219 -11.267  -5.727
  354   1HE   LYS  45          1HE       LYS  45  14.047 -12.300  -7.652
  355   2HE   LYS  45          2HE       LYS  45  12.810 -13.420  -7.073
  356   1HZ   LYS  45          1HZ       LYS  45  11.296 -12.455  -8.759
  357   2HZ   LYS  45          2HZ       LYS  45  12.499 -11.461  -9.278
  358   3HZ   LYS  45          3HZ       LYS  45  12.654 -13.076  -9.440
  359    H    ARG  46           H        ARG  46   8.535  -8.673  -3.874
  360    HA   ARG  46           HA       ARG  46   6.133 -10.091  -4.453
  361   1HB   ARG  46          1HB       ARG  46   6.367  -7.527  -2.849
  362   2HB   ARG  46          2HB       ARG  46   5.104  -8.726  -2.716
  363   1HG   ARG  46          1HG       ARG  46   7.850  -9.742  -2.138
  364   2HG   ARG  46          2HG       ARG  46   7.224  -8.513  -1.051
  365   1HD   ARG  46          1HD       ARG  46   6.759 -10.743  -0.189
  366   2HD   ARG  46          2HD       ARG  46   5.279  -9.841  -0.522
  367    HE   ARG  46           HE       ARG  46   4.614 -11.480  -1.891
  368   1HH1  ARG  46          2HH2      ARG  46   8.193 -11.873  -1.538
  369   2HH1  ARG  46          1HH2      ARG  46   8.218 -13.214  -2.651
  370   1HH2  ARG  46          2HH1      ARG  46   4.762 -13.201  -3.394
  371   2HH2  ARG  46          1HH1      ARG  46   6.261 -14.050  -3.570
  372    H    SER  47           H        SER  47   7.286  -7.205  -5.985
  373    HA   SER  47           HA       SER  47   4.496  -6.485  -6.784
  374   1HB   SER  47          1HB       SER  47   5.225  -4.205  -6.816
  375   2HB   SER  47          2HB       SER  47   5.547  -4.944  -5.227
  376    HG   SER  47           HG       SER  47   7.653  -4.957  -5.623
  377    H    GLY  48           H        GLY  48   7.867  -6.645  -8.046
  378   1HA   GLY  48          1HA       GLY  48   8.617  -6.454 -10.212
  379   2HA   GLY  48          2HA       GLY  48   6.973  -6.773 -10.790
  380    H    ARG  49           H        ARG  49   7.771  -4.154  -8.521
  381    HA   ARG  49           HA       ARG  49   7.371  -2.136 -10.696
  382   1HB   ARG  49          1HB       ARG  49   6.059  -2.236  -7.985
  383   2HB   ARG  49          2HB       ARG  49   6.544  -0.675  -8.654
  384   1HG   ARG  49          1HG       ARG  49   5.265  -1.400 -10.799
  385   2HG   ARG  49          2HG       ARG  49   4.512  -2.618  -9.737
  386   1HD   ARG  49          1HD       ARG  49   3.901  -0.724  -8.167
  387   2HD   ARG  49          2HD       ARG  49   4.579   0.413  -9.353
  388    HE   ARG  49           HE       ARG  49   2.631  -1.299 -10.588
  389   1HH1  ARG  49          2HH2      ARG  49   2.979   1.759  -8.790
  390   2HH1  ARG  49          1HH2      ARG  49   1.340   2.233  -9.069
  391   1HH2  ARG  49          2HH1      ARG  49   0.555  -0.678 -10.947
  392   2HH2  ARG  49          1HH1      ARG  49  -0.082   0.836 -10.416
  393    H    THR  50           H        THR  50   8.510  -2.373  -7.315
  394    HA   THR  50           HA       THR  50  10.450  -1.836  -6.341
  395    HB   THR  50           HB       THR  50  11.388  -1.909  -8.875
  396    HG1  THR  50           HG1      THR  50  13.320  -1.968  -7.853
  397   1HG2  THR  50          2HG2      THR  50  11.056   0.592  -9.018
  398   2HG2  THR  50          3HG2      THR  50  12.218   0.738  -7.673
  399   3HG2  THR  50          1HG2      THR  50  12.723   0.007  -9.232
  400    H    THR  51           H        THR  51   8.375   0.527  -7.946
  401    HA   THR  51           HA       THR  51   9.342   2.717  -6.307
  402    HB   THR  51           HB       THR  51   7.246   3.838  -7.284
  403    HG1  THR  51           HG1      THR  51   6.145   1.857  -7.588
  404   1HG2  THR  51          2HG2      THR  51   9.214   2.547  -9.234
  405   2HG2  THR  51          3HG2      THR  51   8.152   3.926  -9.595
  406   3HG2  THR  51          1HG2      THR  51   9.434   4.086  -8.381
  407    H    VAL  52           H        VAL  52   8.366   3.635  -4.541
  408    HA   VAL  52           HA       VAL  52   6.138   2.186  -3.183
  409    HB   VAL  52           HB       VAL  52   6.769   3.653  -1.210
  410   1HG1  VAL  52          1HG1      VAL  52   7.615   1.372  -1.387
  411   2HG1  VAL  52          2HG1      VAL  52   9.035   1.972  -2.298
  412   3HG1  VAL  52          3HG1      VAL  52   8.772   2.473  -0.616
  413   1HG2  VAL  52          3HG2      VAL  52   9.113   4.462  -2.925
  414   2HG2  VAL  52          1HG2      VAL  52   7.786   5.516  -2.367
  415   3HG2  VAL  52          2HG2      VAL  52   8.888   4.775  -1.199
  416    HA   PRO  53           HA       PRO  53   4.874   2.953  -1.278
  417   1HB   PRO  53          1HB       PRO  53   2.321   3.330  -0.622
  418   2HB   PRO  53          2HB       PRO  53   3.505   4.631  -0.292
  419   1HG   PRO  53          1HG       PRO  53   1.640   4.348  -2.680
  420   2HG   PRO  53          2HG       PRO  53   1.853   5.779  -1.638
  421   1HD   PRO  53          1HD       PRO  53   3.166   5.387  -4.016
  422   2HD   PRO  53          2HD       PRO  53   3.909   6.327  -2.684
  423    H    GLN  54           H        GLN  54   3.405   1.049  -1.021
  424    HA   GLN  54           HA       GLN  54   1.766   0.377  -3.362
  425   1HB   GLN  54          1HB       GLN  54   3.924  -1.530  -2.354
  426   2HB   GLN  54          2HB       GLN  54   2.669  -1.864  -3.557
  427   1HG   GLN  54          1HG       GLN  54   3.697  -0.054  -5.019
  428   2HG   GLN  54          2HG       GLN  54   5.000   0.082  -3.811
  429   1HE2  GLN  54          2HE2      GLN  54   6.721  -2.380  -5.666
  430   2HE2  GLN  54          1HE2      GLN  54   6.575  -0.636  -5.371
  431    H    ILE  55           H        ILE  55   0.141  -1.327  -2.748
  432    HA   ILE  55           HA       ILE  55  -0.048  -1.613   0.168
  433    HB   ILE  55           HB       ILE  55  -2.229  -1.170  -1.914
  434   1HG1  ILE  55          1HG1      ILE  55  -2.826   0.764  -0.345
  435   2HG1  ILE  55          2HG1      ILE  55  -1.235   0.608   0.344
  436   1HG2  ILE  55          3HG2      ILE  55  -2.926  -2.759  -0.136
  437   2HG2  ILE  55          1HG2      ILE  55  -2.473  -1.580   1.102
  438   3HG2  ILE  55          2HG2      ILE  55  -3.809  -1.250  -0.006
  439   1HD1  ILE  55          1HD1      ILE  55  -1.701   1.134  -2.624
  440   2HD1  ILE  55          2HD1      ILE  55  -1.598   2.428  -1.415
  441   3HD1  ILE  55          3HD1      ILE  55  -0.205   1.399  -1.698
  442    H    PHE  56           H        PHE  56  -0.754  -3.660   0.777
  443    HA   PHE  56           HA       PHE  56  -1.127  -5.722  -1.293
  444   1HB   PHE  56          1HB       PHE  56   0.662  -5.905   1.169
  445   2HB   PHE  56          2HB       PHE  56  -0.020  -7.308   0.355
  446    HD1  PHE  56           HD1      PHE  56   2.140  -4.291  -0.325
  447    HD2  PHE  56           HD2      PHE  56   1.088  -8.322  -1.440
  448    HE1  PHE  56           HE1      PHE  56   3.933  -4.288  -2.057
  449    HE2  PHE  56           HE2      PHE  56   2.889  -8.327  -3.124
  450    HZ   PHE  56           HZ       PHE  56   4.291  -6.294  -3.473
  451    H    ILE  57           H        ILE  57  -2.824  -7.083  -0.741
  452    HA   ILE  57           HA       ILE  57  -4.079  -6.803   1.934
  453    HB   ILE  57           HB       ILE  57  -5.690  -6.292  -0.610
  454   1HG1  ILE  57          1HG1      ILE  57  -4.941  -4.451   1.694
  455   2HG1  ILE  57          2HG1      ILE  57  -4.413  -4.325   0.027
  456   1HG2  ILE  57          3HG2      ILE  57  -6.600  -6.504   2.296
  457   2HG2  ILE  57          1HG2      ILE  57  -7.629  -5.980   0.944
  458   3HG2  ILE  57          2HG2      ILE  57  -7.013  -7.610   0.972
  459   1HD1  ILE  57          1HD1      ILE  57  -6.796  -3.900  -0.659
  460   2HD1  ILE  57          2HD1      ILE  57  -7.190  -3.778   1.074
  461   3HD1  ILE  57          3HD1      ILE  57  -6.034  -2.651   0.351
  462    H    ASP  58           H        ASP  58  -5.218  -8.808   2.421
  463    HA   ASP  58           HA       ASP  58  -5.381 -11.072   2.333
  464   1HB   ASP  58          1HB       ASP  58  -6.340 -10.242  -0.365
  465   2HB   ASP  58          2HB       ASP  58  -6.237 -11.953   0.023
  466    H    ALA  59           H        ALA  59  -2.873  -9.940   1.947
  467    HA   ALA  59           HA       ALA  59  -0.696 -10.446   1.671
  468   1HB   ALA  59          3HB       ALA  59  -1.349 -12.612   2.729
  469   2HB   ALA  59          1HB       ALA  59  -1.512 -13.306   1.096
  470   3HB   ALA  59          2HB       ALA  59   0.061 -12.719   1.654
  471    H    GLN  60           H        GLN  60  -2.576  -9.878  -0.779
  472    HA   GLN  60           HA       GLN  60  -0.616 -10.632  -2.885
  473   1HB   GLN  60          1HB       GLN  60  -2.560 -10.515  -4.443
  474   2HB   GLN  60          2HB       GLN  60  -2.563 -11.894  -3.313
  475   1HG   GLN  60          1HG       GLN  60  -4.191 -10.792  -1.912
  476   2HG   GLN  60          2HG       GLN  60  -4.164  -9.352  -2.964
  477   1HE2  GLN  60          2HE2      GLN  60  -7.053 -11.846  -3.523
  478   2HE2  GLN  60          1HE2      GLN  60  -6.089 -11.742  -2.069
  479    H    HIS  61           H        HIS  61  -0.204  -9.166  -4.443
  480    HA   HIS  61           HA       HIS  61   0.015  -6.511  -3.482
  481   1HB   HIS  61          1HB       HIS  61   1.663  -7.767  -4.961
  482   2HB   HIS  61          2HB       HIS  61   0.465  -7.846  -6.231
  483    HD1  HIS  61           HD1      HIS  61   1.345  -6.395  -8.123
  484    HD2  HIS  61           HD2      HIS  61   1.939  -4.774  -4.257
  485    HE1  HIS  61           HE1      HIS  61   2.775  -4.279  -8.427
  486    HE2  HIS  61           HE2      HIS  61   3.043  -3.255  -6.046
  487    H    ILE  62           H        ILE  62  -1.205  -4.699  -3.797
  488    HA   ILE  62           HA       ILE  62  -3.548  -4.768  -5.528
  489    HB   ILE  62           HB       ILE  62  -2.190  -2.372  -4.211
  490   1HG1  ILE  62          1HG1      ILE  62  -2.794  -3.691  -2.395
  491   2HG1  ILE  62          2HG1      ILE  62  -4.098  -2.538  -2.551
  492   1HG2  ILE  62          3HG2      ILE  62  -4.984  -2.664  -5.385
  493   2HG2  ILE  62          1HG2      ILE  62  -4.380  -1.270  -4.466
  494   3HG2  ILE  62          2HG2      ILE  62  -3.669  -1.663  -6.026
  495   1HD1  ILE  62          1HD1      ILE  62  -5.455  -4.290  -3.782
  496   2HD1  ILE  62          2HD1      ILE  62  -4.185  -5.467  -3.347
  497   3HD1  ILE  62          3HD1      ILE  62  -5.114  -4.648  -2.096
  498    H    GLY  63           H        GLY  63  -0.433  -3.001  -5.584
  499   1HA   GLY  63          1HA       GLY  63   0.449  -3.036  -8.145
  500   2HA   GLY  63          2HA       GLY  63  -0.991  -2.022  -8.297
  501    H    GLY  64           H        GLY  64  -1.220  -0.156  -6.842
  502   1HA   GLY  64          1HA       GLY  64   1.032   0.991  -5.464
  503   2HA   GLY  64          2HA       GLY  64   0.758   1.645  -7.084
  504    H    TYR  65           H        TYR  65   0.371   3.590  -5.669
  505    HA   TYR  65           HA       TYR  65  -2.061   3.830  -4.079
  506   1HB   TYR  65          1HB       TYR  65  -0.184   5.429  -3.736
  507   2HB   TYR  65          2HB       TYR  65  -0.242   5.891  -5.432
  508    HD1  TYR  65           HD2      TYR  65  -2.616   5.601  -2.516
  509    HD2  TYR  65           HD1      TYR  65  -1.415   7.880  -5.983
  510    HE1  TYR  65           HE2      TYR  65  -4.267   7.338  -1.944
  511    HE2  TYR  65           HE1      TYR  65  -3.096   9.597  -5.418
  512    HH   TYR  65           HH       TYR  65  -5.082   9.967  -4.153
  513    H    ASP  66           H        ASP  66  -1.270   4.894  -7.425
  514    HA   ASP  66           HA       ASP  66  -3.794   6.105  -7.892
  515   1HB   ASP  66          1HB       ASP  66  -2.179   4.691 -10.049
  516   2HB   ASP  66          2HB       ASP  66  -3.252   6.064 -10.219
  517    H    ASP  67           H        ASP  67  -2.544   2.868  -8.357
  518    HA   ASP  67           HA       ASP  67  -4.859   1.660  -9.527
  519   1HB   ASP  67          1HB       ASP  67  -2.484   0.477  -8.039
  520   2HB   ASP  67          2HB       ASP  67  -3.760  -0.501  -8.777
  521    H    LEU  68           H        LEU  68  -3.715   1.874  -6.099
  522    HA   LEU  68           HA       LEU  68  -5.768   0.353  -4.929
  523   1HB   LEU  68          1HB       LEU  68  -3.749   1.186  -3.690
  524   2HB   LEU  68          2HB       LEU  68  -4.412   2.816  -3.771
  525    HG   LEU  68           HG       LEU  68  -6.558   1.722  -2.621
  526   1HD1  LEU  68          1HD1      LEU  68  -4.366  -0.277  -2.025
  527   2HD1  LEU  68          2HD1      LEU  68  -5.836  -0.119  -1.049
  528   3HD1  LEU  68          3HD1      LEU  68  -5.956  -0.591  -2.748
  529   1HD2  LEU  68          2HD2      LEU  68  -4.033   2.342  -1.116
  530   2HD2  LEU  68          3HD2      LEU  68  -5.305   3.455  -1.619
  531   3HD2  LEU  68          1HD2      LEU  68  -5.677   2.197  -0.435
  532    H    TYR  69           H        TYR  69  -5.647   3.858  -5.570
  533    HA   TYR  69           HA       TYR  69  -8.220   4.487  -4.558
  534   1HB   TYR  69          1HB       TYR  69  -6.489   6.150  -5.380
  535   2HB   TYR  69          2HB       TYR  69  -6.876   5.714  -7.025
  536    HD1  TYR  69           HD1      TYR  69  -9.631   5.877  -7.560
  537    HD2  TYR  69           HD2      TYR  69  -7.388   8.212  -4.682
  538    HE1  TYR  69           HE1      TYR  69 -11.319   7.618  -7.673
  539    HE2  TYR  69           HE2      TYR  69  -9.082   9.989  -4.827
  540    HH   TYR  69           HH       TYR  69 -10.979  10.771  -6.031
  541    H    ALA  70           H        ALA  70  -7.322   3.440  -7.854
  542    HA   ALA  70           HA       ALA  70 -10.048   3.465  -8.816
  543   1HB   ALA  70          2HB       ALA  70  -8.104   3.586 -10.341
  544   2HB   ALA  70          3HB       ALA  70  -7.615   1.943  -9.866
  545   3HB   ALA  70          1HB       ALA  70  -9.141   2.205 -10.738
  546    H    LEU  71           H        LEU  71  -8.016   1.033  -7.290
  547    HA   LEU  71           HA       LEU  71  -9.750  -1.214  -7.686
  548   1HB   LEU  71          1HB       LEU  71  -7.291  -1.341  -7.349
  549   2HB   LEU  71          2HB       LEU  71  -7.487  -0.809  -5.696
  550    HG   LEU  71           HG       LEU  71  -7.144  -3.313  -6.265
  551   1HD1  LEU  71          1HD1      LEU  71  -9.064  -2.343  -4.260
  552   2HD1  LEU  71          2HD1      LEU  71  -8.391  -3.997  -4.271
  553   3HD1  LEU  71          3HD1      LEU  71  -7.335  -2.589  -4.072
  554   1HD2  LEU  71          2HD2      LEU  71  -8.856  -3.639  -7.917
  555   2HD2  LEU  71          3HD2      LEU  71  -9.061  -4.714  -6.533
  556   3HD2  LEU  71          1HD2      LEU  71 -10.113  -3.297  -6.711
  557    H    ASP  72           H        ASP  72  -9.402   1.264  -5.103
  558    HA   ASP  72           HA       ASP  72 -11.376   0.015  -3.371
  559   1HB   ASP  72          1HB       ASP  72  -9.827   1.850  -2.562
  560   2HB   ASP  72          2HB       ASP  72 -10.715   2.982  -3.565
  561    H    ALA  73           H        ALA  73 -11.505   2.816  -5.510
  562    HA   ALA  73           HA       ALA  73 -14.180   3.293  -5.372
  563   1HB   ALA  73          2HB       ALA  73 -12.562   4.840  -6.391
  564   2HB   ALA  73          3HB       ALA  73 -12.383   3.741  -7.776
  565   3HB   ALA  73          1HB       ALA  73 -13.925   4.581  -7.502
  566    H    ARG  74           H        ARG  74 -12.888   0.773  -7.407
  567    HA   ARG  74           HA       ARG  74 -15.402   0.308  -8.814
  568   1HB   ARG  74          1HB       ARG  74 -14.325  -1.670  -9.613
  569   2HB   ARG  74          2HB       ARG  74 -13.220  -0.323  -9.771
  570   1HG   ARG  74          1HG       ARG  74 -11.860  -1.108  -7.986
  571   2HG   ARG  74          2HG       ARG  74 -13.027  -2.251  -7.395
  572   1HD   ARG  74          1HD       ARG  74 -12.033  -2.607 -10.209
  573   2HD   ARG  74          2HD       ARG  74 -10.995  -3.045  -8.844
  574    HE   ARG  74           HE       ARG  74 -13.638  -4.144  -8.495
  575   1HH1  ARG  74          2HH2      ARG  74 -10.780  -4.587 -10.556
  576   2HH1  ARG  74          1HH2      ARG  74 -11.088  -6.280 -10.836
  577   1HH2  ARG  74          2HH1      ARG  74 -13.784  -6.420  -8.515
  578   2HH2  ARG  74          1HH1      ARG  74 -13.052  -7.266  -9.835
  579    H    GLY  75           H        GLY  75 -14.147  -0.534  -5.717
  580   1HA   GLY  75          1HA       GLY  75 -15.116  -1.749  -4.003
  581   2HA   GLY  75          2HA       GLY  75 -16.246  -2.504  -5.136
  582    H    GLY  76           H        GLY  76 -12.488  -2.393  -4.905
  583   1HA   GLY  76          1HA       GLY  76 -12.666  -5.352  -4.629
  584   2HA   GLY  76          2HA       GLY  76 -11.481  -4.544  -5.634
  585    H    LEU  77           H        LEU  77 -11.350  -2.296  -3.449
  586    HA   LEU  77           HA       LEU  77  -9.436  -3.587  -1.643
  587   1HB   LEU  77          1HB       LEU  77  -9.264  -1.161  -2.477
  588   2HB   LEU  77          2HB       LEU  77 -10.603  -0.759  -1.447
  589    HG   LEU  77           HG       LEU  77  -7.849  -1.657  -0.652
  590   1HD1  LEU  77          3HD1      LEU  77  -8.185   0.690  -1.339
  591   2HD1  LEU  77          1HD1      LEU  77  -9.415   0.880  -0.088
  592   3HD1  LEU  77          2HD1      LEU  77  -7.738   0.564   0.377
  593   1HD2  LEU  77          1HD2      LEU  77 -10.205  -1.199   1.230
  594   2HD2  LEU  77          2HD2      LEU  77  -9.263  -2.695   1.052
  595   3HD2  LEU  77          3HD2      LEU  77  -8.509  -1.261   1.739
  596    H    ASP  78           H        ASP  78 -12.376  -1.667  -1.232
  597    HA   ASP  78           HA       ASP  78 -12.905  -2.110   1.409
  598   1HB   ASP  78          1HB       ASP  78 -13.875  -0.361   0.115
  599   2HB   ASP  78          2HB       ASP  78 -14.748  -1.484  -0.910
  600    HA   PRO  79           HA       PRO  79 -15.790  -5.840   0.636
  601   1HB   PRO  79          1HB       PRO  79 -15.638  -7.227  -1.752
  602   2HB   PRO  79          2HB       PRO  79 -16.829  -5.946  -1.366
  603   1HG   PRO  79          1HG       PRO  79 -14.254  -5.755  -2.906
  604   2HG   PRO  79          2HG       PRO  79 -15.875  -5.043  -3.263
  605   1HD   PRO  79          1HD       PRO  79 -13.894  -3.581  -2.137
  606   2HD   PRO  79          2HD       PRO  79 -15.606  -3.368  -1.663
  607    H    LEU  80           H        LEU  80 -12.438  -5.751   0.077
  608    HA   LEU  80           HA       LEU  80 -12.126  -8.624   0.906
  609   1HB   LEU  80          1HB       LEU  80 -10.028  -6.613  -0.009
  610   2HB   LEU  80          2HB       LEU  80  -9.693  -8.221   0.622
  611    HG   LEU  80           HG       LEU  80 -11.154  -7.588  -1.962
  612   1HD1  LEU  80          2HD1      LEU  80  -8.420  -8.813  -1.355
  613   2HD1  LEU  80          3HD1      LEU  80  -9.125  -8.651  -2.975
  614   3HD1  LEU  80          1HD1      LEU  80  -8.729  -7.191  -2.038
  615   1HD2  LEU  80          3HD2      LEU  80 -10.469 -10.297  -0.761
  616   2HD2  LEU  80          1HD2      LEU  80 -12.096  -9.643  -1.049
  617   3HD2  LEU  80          2HD2      LEU  80 -11.049 -10.008  -2.419
  618    H    LEU  81           H        LEU  81 -11.712  -5.245   1.847
  619    HA   LEU  81           HA       LEU  81 -10.324  -5.709   4.317
  620   1HB   LEU  81          1HB       LEU  81 -10.276  -3.516   3.365
  621   2HB   LEU  81          2HB       LEU  81 -12.029  -3.457   3.220
  622    HG   LEU  81           HG       LEU  81 -12.258  -3.399   5.707
  623   1HD1  LEU  81          1HD1      LEU  81  -9.220  -3.143   5.695
  624   2HD1  LEU  81          2HD1      LEU  81 -10.288  -2.901   7.094
  625   3HD1  LEU  81          3HD1      LEU  81 -10.144  -4.498   6.368
  626   1HD2  LEU  81          2HD2      LEU  81 -10.554  -1.264   4.398
  627   2HD2  LEU  81          3HD2      LEU  81 -12.319  -1.378   4.390
  628   3HD2  LEU  81          1HD2      LEU  81 -11.481  -1.076   5.917
  629    H    LYS  82           H        LYS  82 -13.817  -5.089   3.583
  630    HA   LYS  82           HA       LYS  82 -14.608  -5.109   6.252
  631   1HB   LYS  82          1HB       LYS  82 -16.812  -4.945   5.345
  632   2HB   LYS  82          2HB       LYS  82 -15.714  -4.041   4.325
  633   1HG   LYS  82          1HG       LYS  82 -16.864  -5.065   2.665
  634   2HG   LYS  82          2HG       LYS  82 -15.656  -6.315   2.925
  635   1HD   LYS  82          1HD       LYS  82 -17.640  -7.074   4.737
  636   2HD   LYS  82          2HD       LYS  82 -18.587  -6.285   3.478
  637   1HE   LYS  82          1HE       LYS  82 -18.474  -8.520   2.735
  638   2HE   LYS  82          2HE       LYS  82 -17.210  -7.712   1.799
  639   1HZ   LYS  82          2HZ       LYS  82 -15.659  -8.512   3.634
  640   2HZ   LYS  82          3HZ       LYS  82 -16.878  -9.417   4.177
  641   3HZ   LYS  82          1HZ       LYS  82 -16.293  -9.686   2.654
  642   1HB2  GTT  83          1HB2      GTT  83   8.561   7.237  -3.671
  643   2HB2  GTT  83          2HB2      GTT  83   9.892   8.354  -3.961
  644    HA2  GTT  83           HA2      GTT  83   9.703   8.104  -6.300
  645    HN2  GTT  83           HN2      GTT  83   7.234   6.491  -5.989
  646   1HG1  GTT  83          1HG1      GTT  83   5.266   8.074  -7.367
  647   2HG1  GTT  83          2HG1      GTT  83   5.937   6.537  -7.943
  648   1HB1  GTT  83          1HB1      GTT  83   6.701   8.594  -9.825
  649   2HB1  GTT  83          2HB1      GTT  83   5.040   8.925  -9.356
  650    HA1  GTT  83           HA1      GTT  83   4.618   6.387  -9.808
  651   1HN1  GTT  83          1HN1      GTT  83   6.540   6.546 -11.863
  652   2HN1  GTT  83          2HN1      GTT  83   7.282   6.433 -10.411
  653   3HN1  GTT  83          3HN1      GTT  83   6.161   5.274 -10.883
  654    HN3  GTT  83           HN3      GTT  83  11.592   6.892  -5.564
  655   1HA3  GTT  83          1HA3      GTT  83  11.212   3.930  -5.459
  656   2HA3  GTT  83          2HA3      GTT  83  12.718   4.777  -5.914
   
  No H/Q in entry =         656
  Start of MODEL   16
    1   1H    ALA   1          2H        ALA   1  -7.563 -10.784   5.336
    2   2H    ALA   1          3H        ALA   1  -7.704 -11.580   6.789
    3   3H    ALA   1          1H        ALA   1  -8.897 -10.556   6.257
    4    HA   ALA   1           HA       ALA   1  -7.563  -8.689   6.437
    5   1HB   ALA   1          2HB       ALA   1  -7.590 -10.340   8.956
    6   2HB   ALA   1          3HB       ALA   1  -7.275  -8.584   8.863
    7   3HB   ALA   1          1HB       ALA   1  -8.843  -9.227   8.356
    8    H    ASN   2           H        ASN   2  -5.634  -8.543   5.242
    9    HA   ASN   2           HA       ASN   2  -3.438  -8.264   7.113
   10   1HB   ASN   2          1HB       ASN   2  -3.148 -10.533   6.076
   11   2HB   ASN   2          2HB       ASN   2  -3.034  -9.811   4.506
   12   1HD2  ASN   2          2HD2      ASN   2   0.205  -8.293   4.932
   13   2HD2  ASN   2          1HD2      ASN   2  -1.371  -8.035   4.207
   14    H    VAL   3           H        VAL   3  -4.059  -5.947   6.695
   15    HA   VAL   3           HA       VAL   3  -3.569  -5.002   3.913
   16    HB   VAL   3           HB       VAL   3  -4.769  -3.596   6.324
   17   1HG1  VAL   3          3HG1      VAL   3  -3.678  -2.021   4.714
   18   2HG1  VAL   3          1HG1      VAL   3  -4.627  -2.710   3.395
   19   3HG1  VAL   3          2HG1      VAL   3  -5.441  -1.848   4.721
   20   1HG2  VAL   3          2HG2      VAL   3  -6.165  -5.483   5.166
   21   2HG2  VAL   3          3HG2      VAL   3  -6.890  -3.897   5.411
   22   3HG2  VAL   3          1HG2      VAL   3  -6.282  -4.361   3.811
   23    H    GLU   4           H        GLU   4  -1.389  -4.777   3.610
   24    HA   GLU   4           HA       GLU   4   0.104  -3.181   5.648
   25   1HB   GLU   4          1HB       GLU   4   1.179  -5.289   3.744
   26   2HB   GLU   4          2HB       GLU   4   2.168  -4.199   4.685
   27   1HG   GLU   4          1HG       GLU   4   1.487  -5.183   6.768
   28   2HG   GLU   4          2HG       GLU   4   0.172  -6.077   6.012
   29    H    ILE   5           H        ILE   5   0.796  -1.235   4.862
   30    HA   ILE   5           HA       ILE   5   0.831  -0.786   1.929
   31    HB   ILE   5           HB       ILE   5  -1.006   0.511   2.487
   32   1HG1  ILE   5          1HG1      ILE   5   1.417   2.353   2.577
   33   2HG1  ILE   5          2HG1      ILE   5   0.796   1.609   1.123
   34   1HG2  ILE   5          3HG2      ILE   5  -0.816   0.466   4.960
   35   2HG2  ILE   5          1HG2      ILE   5   0.451   1.700   4.859
   36   3HG2  ILE   5          2HG2      ILE   5  -1.214   2.058   4.346
   37   1HD1  ILE   5          1HD1      ILE   5  -0.721   3.629   2.823
   38   2HD1  ILE   5          2HD1      ILE   5   0.202   4.016   1.377
   39   3HD1  ILE   5          3HD1      ILE   5  -1.237   2.985   1.255
   40    H    TYR   6           H        TYR   6   2.821  -0.605   1.300
   41    HA   TYR   6           HA       TYR   6   5.042  -0.388   3.206
   42   1HB   TYR   6          1HB       TYR   6   4.712  -0.933   0.227
   43   2HB   TYR   6          2HB       TYR   6   6.265  -0.589   0.952
   44    HD1  TYR   6           HD2      TYR   6   3.345  -2.966   1.453
   45    HD2  TYR   6           HD1      TYR   6   7.587  -2.283   1.719
   46    HE1  TYR   6           HE2      TYR   6   3.690  -5.352   2.019
   47    HE2  TYR   6           HE1      TYR   6   7.948  -4.656   2.244
   48    HH   TYR   6           HH       TYR   6   5.257  -7.014   2.578
   49    H    THR   7           H        THR   7   6.211   1.511   3.504
   50    HA   THR   7           HA       THR   7   5.676   3.769   1.701
   51    HB   THR   7           HB       THR   7   5.287   5.205   3.736
   52    HG1  THR   7           HG1      THR   7   4.774   4.154   5.678
   53   1HG2  THR   7          3HG2      THR   7   3.430   4.140   2.299
   54   2HG2  THR   7          1HG2      THR   7   3.255   2.966   3.591
   55   3HG2  THR   7          2HG2      THR   7   2.967   4.692   3.916
   56    H    LYS   8           H        LYS   8   7.186   5.652   2.180
   57    HA   LYS   8           HA       LYS   8   9.666   4.902   3.593
   58   1HB   LYS   8          1HB       LYS   8  11.029   5.642   1.665
   59   2HB   LYS   8          2HB       LYS   8  10.100   4.197   1.307
   60   1HG   LYS   8          1HG       LYS   8   8.544   5.418  -0.054
   61   2HG   LYS   8          2HG       LYS   8   9.148   6.983   0.490
   62   1HD   LYS   8          1HD       LYS   8  10.954   5.007  -0.920
   63   2HD   LYS   8          2HD       LYS   8   9.912   6.101  -1.835
   64   1HE   LYS   8          1HE       LYS   8  11.017   8.019  -1.179
   65   2HE   LYS   8          2HE       LYS   8  11.627   7.289   0.309
   66   1HZ   LYS   8          3HZ       LYS   8  12.646   6.495  -2.355
   67   2HZ   LYS   8          1HZ       LYS   8  13.307   7.651  -1.433
   68   3HZ   LYS   8          2HZ       LYS   8  13.223   6.087  -0.866
   69    H    GLU   9           H        GLU   9  11.168   6.827   3.553
   70    HA   GLU   9           HA       GLU   9   9.939   9.223   4.538
   71   1HB   GLU   9          1HB       GLU   9  12.189   8.098   5.165
   72   2HB   GLU   9          2HB       GLU   9  12.799   8.673   3.618
   73   1HG   GLU   9          1HG       GLU   9  13.585  10.202   5.192
   74   2HG   GLU   9          2HG       GLU   9  12.237  11.041   4.445
   75    H    THR  10           H        THR  10  10.340  11.352   3.507
   76    HA   THR  10           HA       THR  10   9.658  12.720   1.918
   77    HB   THR  10           HB       THR  10  12.066  12.789   1.875
   78    HG1  THR  10           HG1      THR  10  12.123  14.106   0.149
   79   1HG2  THR  10          2HG2      THR  10  12.630  10.639   0.755
   80   2HG2  THR  10          3HG2      THR  10  12.036  11.312  -0.775
   81   3HG2  THR  10          1HG2      THR  10  13.409  12.062   0.045
   82    H    CYS  11           H        CYS  11   7.689  11.404   1.766
   83    HA   CYS  11           HA       CYS  11   7.239  10.911  -1.093
   84   1HB   CYS  11          1HB       CYS  11   8.034   8.762  -0.125
   85   2HB   CYS  11          2HB       CYS  11   6.646   8.760   0.974
   86    HA   PRO  12           HA       PRO  12   3.643  13.180   0.772
   87   1HB   PRO  12          1HB       PRO  12   4.057  14.257  -1.959
   88   2HB   PRO  12          2HB       PRO  12   3.440  15.139  -0.525
   89   1HG   PRO  12          1HG       PRO  12   6.027  15.484  -1.280
   90   2HG   PRO  12          2HG       PRO  12   5.643  15.229   0.451
   91   1HD   PRO  12          1HD       PRO  12   6.745  13.263  -1.538
   92   2HD   PRO  12          2HD       PRO  12   7.146  13.479   0.177
   93    H    TYR  13           H        TYR  13   4.261  11.850  -2.573
   94    HA   TYR  13           HA       TYR  13   1.571  11.293  -3.265
   95   1HB   TYR  13          1HB       TYR  13   3.576  11.304  -4.739
   96   2HB   TYR  13          2HB       TYR  13   4.224   9.901  -3.907
   97    HD1  TYR  13           HD1      TYR  13   3.366   7.671  -4.334
   98    HD2  TYR  13           HD2      TYR  13   1.901  11.105  -6.467
   99    HE1  TYR  13           HE1      TYR  13   2.268   6.176  -5.992
  100    HE2  TYR  13           HE2      TYR  13   0.763   9.644  -8.085
  101    HH   TYR  13           HH       TYR  13   0.033   7.458  -8.454
  102    H    SER  14           H        SER  14   3.682   9.528  -1.016
  103    HA   SER  14           HA       SER  14   1.739   7.337  -0.758
  104   1HB   SER  14          1HB       SER  14   4.036   6.844  -0.345
  105   2HB   SER  14          2HB       SER  14   4.159   8.127   0.895
  106    HG   SER  14           HG       SER  14   2.972   6.899   2.252
  107    H    HIS  15           H        HIS  15   2.571  10.439   0.895
  108    HA   HIS  15           HA       HIS  15   0.679   9.893   3.035
  109   1HB   HIS  15          1HB       HIS  15   1.857  12.530   2.031
  110   2HB   HIS  15          2HB       HIS  15   0.782  12.414   3.408
  111    HD1  HIS  15           HD1      HIS  15   1.659  10.872   5.520
  112    HD2  HIS  15           HD2      HIS  15   4.447  12.223   2.631
  113    HE1  HIS  15           HE1      HIS  15   4.043  10.669   6.558
  114    HE2  HIS  15           HE2      HIS  15   5.669  11.499   4.876
  115    H    ARG  16           H        ARG  16   0.334  11.177  -0.185
  116    HA   ARG  16           HA       ARG  16  -2.393  12.039  -0.050
  117   1HB   ARG  16          1HB       ARG  16  -0.420  11.213  -2.196
  118   2HB   ARG  16          2HB       ARG  16  -2.049  11.630  -2.639
  119   1HG   ARG  16          1HG       ARG  16  -1.839  13.805  -1.444
  120   2HG   ARG  16          2HG       ARG  16  -0.215  13.400  -0.947
  121   1HD   ARG  16          1HD       ARG  16   0.415  13.263  -3.396
  122   2HD   ARG  16          2HD       ARG  16  -1.161  13.984  -3.770
  123    HE   ARG  16           HE       ARG  16   1.228  15.280  -2.912
  124   1HH1  ARG  16          2HH2      ARG  16  -2.285  15.653  -2.530
  125   2HH1  ARG  16          1HH2      ARG  16  -2.178  17.275  -1.987
  126   1HH2  ARG  16          2HH1      ARG  16   1.390  17.319  -2.138
  127   2HH2  ARG  16          1HH1      ARG  16  -0.007  18.209  -1.565
  128    H    ALA  17           H        ALA  17  -0.976   8.794  -0.926
  129    HA   ALA  17           HA       ALA  17  -3.485   7.447  -0.867
  130   1HB   ALA  17          3HB       ALA  17  -1.188   6.522  -1.622
  131   2HB   ALA  17          1HB       ALA  17  -0.863   6.226   0.090
  132   3HB   ALA  17          2HB       ALA  17  -2.229   5.420  -0.689
  133    H    LYS  18           H        LYS  18  -1.518   8.555   1.777
  134    HA   LYS  18           HA       LYS  18  -2.975   6.957   3.743
  135   1HB   LYS  18          1HB       LYS  18  -1.296   9.430   4.281
  136   2HB   LYS  18          2HB       LYS  18  -1.857   8.265   5.456
  137   1HG   LYS  18          1HG       LYS  18   0.260   7.939   3.377
  138   2HG   LYS  18          2HG       LYS  18   0.364   7.685   5.094
  139   1HD   LYS  18          1HD       LYS  18  -0.971   5.928   2.990
  140   2HD   LYS  18          2HD       LYS  18   0.538   5.622   3.811
  141   1HE   LYS  18          1HE       LYS  18  -2.282   5.333   4.859
  142   2HE   LYS  18          2HE       LYS  18  -0.923   4.208   4.964
  143   1HZ   LYS  18          2HZ       LYS  18   0.075   5.859   6.551
  144   2HZ   LYS  18          3HZ       LYS  18  -1.397   6.638   6.539
  145   3HZ   LYS  18          1HZ       LYS  18  -1.300   5.127   7.086
  146    H    ALA  19           H        ALA  19  -3.324  10.307   2.574
  147    HA   ALA  19           HA       ALA  19  -5.557  10.866   4.328
  148   1HB   ALA  19          3HB       ALA  19  -4.260  12.635   3.186
  149   2HB   ALA  19          1HB       ALA  19  -4.879  12.063   1.610
  150   3HB   ALA  19          2HB       ALA  19  -5.984  12.743   2.828
  151    H    LEU  20           H        LEU  20  -5.269   9.101   1.269
  152    HA   LEU  20           HA       LEU  20  -8.125   8.856   0.833
  153   1HB   LEU  20          1HB       LEU  20  -6.216   8.297  -0.805
  154   2HB   LEU  20          2HB       LEU  20  -5.924   6.847   0.125
  155    HG   LEU  20           HG       LEU  20  -8.397   7.455  -1.530
  156   1HD1  LEU  20          2HD1      LEU  20  -5.962   5.650  -1.831
  157   2HD1  LEU  20          3HD1      LEU  20  -7.466   5.272  -2.662
  158   3HD1  LEU  20          1HD1      LEU  20  -6.678   6.804  -2.991
  159   1HD2  LEU  20          2HD2      LEU  20  -7.799   4.939   0.084
  160   2HD2  LEU  20          3HD2      LEU  20  -9.166   6.080   0.298
  161   3HD2  LEU  20          1HD2      LEU  20  -9.050   5.102  -1.157
  162    H    LEU  21           H        LEU  21  -5.746   6.609   2.358
  163    HA   LEU  21           HA       LEU  21  -7.823   4.836   3.233
  164   1HB   LEU  21          1HB       LEU  21  -4.894   5.245   3.987
  165   2HB   LEU  21          2HB       LEU  21  -5.857   3.996   4.757
  166    HG   LEU  21           HG       LEU  21  -5.684   4.166   1.720
  167   1HD1  LEU  21          3HD1      LEU  21  -3.768   2.672   3.544
  168   2HD1  LEU  21          1HD1      LEU  21  -3.855   2.538   1.770
  169   3HD1  LEU  21          2HD1      LEU  21  -3.385   4.074   2.507
  170   1HD2  LEU  21          2HD2      LEU  21  -6.253   1.868   3.648
  171   2HD2  LEU  21          3HD2      LEU  21  -7.440   2.699   2.620
  172   3HD2  LEU  21          1HD2      LEU  21  -6.165   1.727   1.882
  173    H    SER  22           H        SER  22  -6.451   7.706   4.774
  174    HA   SER  22           HA       SER  22  -7.724   7.114   7.312
  175   1HB   SER  22          1HB       SER  22  -5.624   8.488   7.044
  176   2HB   SER  22          2HB       SER  22  -6.585   9.760   6.279
  177    HG   SER  22           HG       SER  22  -7.470   8.847   8.769
  178    H    SER  23           H        SER  23  -8.679   8.947   4.270
  179    HA   SER  23           HA       SER  23 -11.040   9.995   5.452
  180   1HB   SER  23          1HB       SER  23 -10.064  10.476   3.121
  181   2HB   SER  23          2HB       SER  23 -10.829   8.964   2.598
  182    HG   SER  23           HG       SER  23 -12.254  10.549   2.200
  183    H    LYS  24           H        LYS  24 -10.230   6.817   4.101
  184    HA   LYS  24           HA       LYS  24 -12.853   5.670   4.684
  185   1HB   LYS  24          1HB       LYS  24 -10.211   4.486   3.747
  186   2HB   LYS  24          2HB       LYS  24 -11.735   3.564   3.896
  187   1HG   LYS  24          1HG       LYS  24 -12.816   5.123   2.350
  188   2HG   LYS  24          2HG       LYS  24 -11.337   6.077   2.234
  189   1HD   LYS  24          1HD       LYS  24 -10.179   4.177   1.166
  190   2HD   LYS  24          2HD       LYS  24 -11.701   3.269   1.128
  191   1HE   LYS  24          1HE       LYS  24 -11.593   6.146   0.128
  192   2HE   LYS  24          2HE       LYS  24 -11.011   4.834  -0.896
  193   1HZ   LYS  24          2HZ       LYS  24 -13.762   4.973   0.154
  194   2HZ   LYS  24          3HZ       LYS  24 -13.234   5.344  -1.357
  195   3HZ   LYS  24          1HZ       LYS  24 -13.059   3.811  -0.856
  196    H    GLY  25           H        GLY  25 -10.267   6.446   6.730
  197   1HA   GLY  25          1HA       GLY  25  -9.673   5.848   8.835
  198   2HA   GLY  25          2HA       GLY  25 -11.367   5.380   9.045
  199    H    VAL  26           H        VAL  26  -8.787   3.924   6.969
  200    HA   VAL  26           HA       VAL  26  -9.844   1.302   7.819
  201    HB   VAL  26           HB       VAL  26  -7.488   1.658   5.960
  202   1HG1  VAL  26          3HG1      VAL  26  -9.729  -0.400   6.059
  203   2HG1  VAL  26          1HG1      VAL  26  -8.408  -0.334   4.871
  204   3HG1  VAL  26          2HG1      VAL  26  -8.044  -0.656   6.561
  205   1HG2  VAL  26          3HG2      VAL  26 -10.417   2.043   5.251
  206   2HG2  VAL  26          1HG2      VAL  26  -9.046   3.138   4.953
  207   3HG2  VAL  26          2HG2      VAL  26  -9.178   1.640   4.047
  208    H    SER  27           H        SER  27  -8.651  -0.339   8.816
  209    HA   SER  27           HA       SER  27  -6.289   0.410  10.430
  210   1HB   SER  27          1HB       SER  27  -8.106  -2.015  10.226
  211   2HB   SER  27          2HB       SER  27  -6.532  -2.108  11.041
  212    HG   SER  27           HG       SER  27  -7.151  -0.795  12.550
  213    H    PHE  28           H        PHE  28  -4.252   0.086   9.649
  214    HA   PHE  28           HA       PHE  28  -3.654  -2.052   7.771
  215   1HB   PHE  28          1HB       PHE  28  -2.487  -0.496   6.218
  216   2HB   PHE  28          2HB       PHE  28  -4.229  -0.270   6.208
  217    HD1  PHE  28           HD2      PHE  28  -1.041   1.206   7.492
  218    HD2  PHE  28           HD1      PHE  28  -5.240   1.815   6.769
  219    HE1  PHE  28           HE2      PHE  28  -0.824   3.534   8.256
  220    HE2  PHE  28           HE1      PHE  28  -5.035   4.160   7.536
  221    HZ   PHE  28           HZ       PHE  28  -2.877   5.011   8.362
  222    H    GLN  29           H        GLN  29  -1.244  -2.132   7.542
  223    HA   GLN  29           HA       GLN  29   0.183  -1.175   9.937
  224   1HB   GLN  29          1HB       GLN  29  -0.251  -3.769   9.435
  225   2HB   GLN  29          2HB       GLN  29   1.040  -3.561   8.278
  226   1HG   GLN  29          1HG       GLN  29   2.554  -2.763  10.077
  227   2HG   GLN  29          2HG       GLN  29   1.213  -2.808  11.229
  228   1HE2  GLN  29          2HE2      GLN  29   2.975  -6.343  10.144
  229   2HE2  GLN  29          1HE2      GLN  29   3.520  -4.844   9.414
  230    H    GLU  30           H        GLU  30   0.979   0.640   9.132
  231    HA   GLU  30           HA       GLU  30   1.910   0.886   6.368
  232   1HB   GLU  30          1HB       GLU  30   1.344   2.786   8.381
  233   2HB   GLU  30          2HB       GLU  30   3.111   2.783   8.229
  234   1HG   GLU  30          1HG       GLU  30   2.682   2.891   5.686
  235   2HG   GLU  30          2HG       GLU  30   1.051   3.412   6.124
  236    H    LEU  31           H        LEU  31   3.983   0.459   5.655
  237    HA   LEU  31           HA       LEU  31   5.862  -0.818   7.618
  238   1HB   LEU  31          1HB       LEU  31   5.513  -1.738   4.778
  239   2HB   LEU  31          2HB       LEU  31   6.532  -2.395   6.038
  240    HG   LEU  31           HG       LEU  31   3.536  -2.585   5.688
  241   1HD1  LEU  31          2HD1      LEU  31   5.122  -4.168   4.621
  242   2HD1  LEU  31          3HD1      LEU  31   5.769  -4.588   6.227
  243   3HD1  LEU  31          1HD1      LEU  31   4.090  -4.972   5.821
  244   1HD2  LEU  31          2HD2      LEU  31   5.032  -3.406   8.222
  245   2HD2  LEU  31          3HD2      LEU  31   3.732  -2.192   8.103
  246   3HD2  LEU  31          1HD2      LEU  31   3.372  -3.872   7.759
  247    HA   PRO  32           HA       PRO  32   8.268   2.591   5.755
  248   1HB   PRO  32          1HB       PRO  32   9.839   2.103   8.261
  249   2HB   PRO  32          2HB       PRO  32   9.333   3.637   7.494
  250   1HG   PRO  32          1HG       PRO  32   7.928   2.751   9.638
  251   2HG   PRO  32          2HG       PRO  32   7.074   3.383   8.206
  252   1HD   PRO  32          1HD       PRO  32   7.675   0.452   8.833
  253   2HD   PRO  32          2HD       PRO  32   6.120   1.228   8.439
  254    H    ILE  33           H        ILE  33   9.341   1.831   4.101
  255    HA   ILE  33           HA       ILE  33  11.565  -0.100   4.400
  256    HB   ILE  33           HB       ILE  33  11.244  -0.121   1.811
  257   1HG1  ILE  33          1HG1      ILE  33   8.360   0.383   2.460
  258   2HG1  ILE  33          2HG1      ILE  33   9.433   1.630   1.788
  259   1HG2  ILE  33          3HG2      ILE  33   9.441  -1.503   3.827
  260   2HG2  ILE  33          1HG2      ILE  33   9.746  -2.098   2.179
  261   3HG2  ILE  33          2HG2      ILE  33  11.087  -1.984   3.296
  262   1HD1  ILE  33          3HD1      ILE  33   9.172  -1.036   0.385
  263   2HD1  ILE  33          1HD1      ILE  33   8.041   0.276   0.145
  264   3HD1  ILE  33          2HD1      ILE  33   9.740   0.537  -0.230
  265    H    ASP  34           H        ASP  34  11.379   3.046   4.729
  266    HA   ASP  34           HA       ASP  34  13.659   3.665   2.956
  267   1HB   ASP  34          1HB       ASP  34  12.360   5.594   3.427
  268   2HB   ASP  34          2HB       ASP  34  12.308   5.251   5.161
  269    H    GLY  35           H        GLY  35  13.079   3.398   6.509
  270   1HA   GLY  35          1HA       GLY  35  15.788   3.289   7.214
  271   2HA   GLY  35          2HA       GLY  35  14.442   2.750   8.220
  272    H    ASN  36           H        ASN  36  13.770   0.770   5.912
  273    HA   ASN  36           HA       ASN  36  15.692  -1.355   6.679
  274   1HB   ASN  36          1HB       ASN  36  14.099  -2.376   7.767
  275   2HB   ASN  36          2HB       ASN  36  12.965  -1.069   7.471
  276   1HD2  ASN  36          2HD2      ASN  36  11.188  -2.815   4.971
  277   2HD2  ASN  36          1HD2      ASN  36  11.236  -1.458   6.068
  278    H    ALA  37           H        ALA  37  16.736  -1.985   4.930
  279    HA   ALA  37           HA       ALA  37  15.701  -1.451   2.231
  280   1HB   ALA  37          3HB       ALA  37  18.328  -2.619   3.272
  281   2HB   ALA  37          1HB       ALA  37  17.996  -2.239   1.583
  282   3HB   ALA  37          2HB       ALA  37  18.047  -0.931   2.777
  283    H    ALA  38           H        ALA  38  16.112  -4.098   4.441
  284    HA   ALA  38           HA       ALA  38  16.196  -6.286   2.664
  285   1HB   ALA  38          2HB       ALA  38  15.120  -6.045   5.522
  286   2HB   ALA  38          3HB       ALA  38  15.340  -7.585   4.674
  287   3HB   ALA  38          1HB       ALA  38  16.733  -6.562   5.001
  288    H    LYS  39           H        LYS  39  13.312  -5.159   4.496
  289    HA   LYS  39           HA       LYS  39  11.551  -6.775   2.928
  290   1HB   LYS  39          1HB       LYS  39  11.242  -5.601   5.306
  291   2HB   LYS  39          2HB       LYS  39  10.498  -4.335   4.314
  292   1HG   LYS  39          1HG       LYS  39   9.054  -6.189   3.283
  293   2HG   LYS  39          2HG       LYS  39   9.716  -7.268   4.492
  294   1HD   LYS  39          1HD       LYS  39   8.164  -4.680   5.024
  295   2HD   LYS  39          2HD       LYS  39   7.511  -6.301   5.163
  296   1HE   LYS  39          1HE       LYS  39   9.708  -5.059   6.879
  297   2HE   LYS  39          2HE       LYS  39   8.056  -5.442   7.374
  298   1HZ   LYS  39          3HZ       LYS  39   8.627  -7.802   6.875
  299   2HZ   LYS  39          1HZ       LYS  39  10.195  -7.388   6.725
  300   3HZ   LYS  39          2HZ       LYS  39   9.428  -7.172   8.160
  301    H    ARG  40           H        ARG  40  13.011  -3.657   2.285
  302    HA   ARG  40           HA       ARG  40  10.959  -2.823   0.404
  303   1HB   ARG  40          1HB       ARG  40  12.849  -1.283   1.321
  304   2HB   ARG  40          2HB       ARG  40  13.909  -2.080   0.188
  305   1HG   ARG  40          1HG       ARG  40  12.675  -1.412  -1.712
  306   2HG   ARG  40          2HG       ARG  40  11.242  -1.045  -0.782
  307   1HD   ARG  40          1HD       ARG  40  12.326   0.951  -1.718
  308   2HD   ARG  40          2HD       ARG  40  12.116   1.024   0.011
  309    HE   ARG  40           HE       ARG  40  14.427   0.737   0.386
  310   1HH1  ARG  40          2HH2      ARG  40  13.798   1.040  -3.120
  311   2HH1  ARG  40          1HH2      ARG  40  15.478   1.345  -3.478
  312   1HH2  ARG  40          2HH1      ARG  40  16.465   1.290  -0.081
  313   2HH2  ARG  40          1HH1      ARG  40  16.990   1.671  -1.717
  314    H    GLU  41           H        GLU  41  14.050  -4.664   0.175
  315    HA   GLU  41           HA       GLU  41  13.686  -5.110  -2.638
  316   1HB   GLU  41          1HB       GLU  41  15.821  -5.200  -1.124
  317   2HB   GLU  41          2HB       GLU  41  15.351  -6.885  -0.839
  318   1HG   GLU  41          1HG       GLU  41  15.306  -7.253  -3.286
  319   2HG   GLU  41          2HG       GLU  41  15.685  -5.548  -3.579
  320    H    GLU  42           H        GLU  42  12.543  -6.823   0.266
  321    HA   GLU  42           HA       GLU  42  11.400  -9.039  -1.114
  322   1HB   GLU  42          1HB       GLU  42  11.483  -9.076   1.301
  323   2HB   GLU  42          2HB       GLU  42  10.391  -7.679   1.418
  324   1HG   GLU  42          1HG       GLU  42   8.540  -8.874   0.512
  325   2HG   GLU  42          2HG       GLU  42   9.580 -10.183  -0.060
  326    H    MET  43           H        MET  43   9.916  -5.820  -0.334
  327    HA   MET  43           HA       MET  43   7.418  -6.235  -1.540
  328   1HB   MET  43          1HB       MET  43   8.212  -4.190  -0.198
  329   2HB   MET  43          2HB       MET  43   9.071  -3.664  -1.629
  330   1HG   MET  43          1HG       MET  43   6.690  -3.889  -2.795
  331   2HG   MET  43          2HG       MET  43   6.121  -3.790  -1.133
  332   1HE   MET  43          3HE       MET  43   7.998  -2.130  -4.078
  333   2HE   MET  43          1HE       MET  43   8.271  -0.457  -3.547
  334   3HE   MET  43          2HE       MET  43   9.250  -1.774  -2.869
  335    H    ILE  44           H        ILE  44  10.446  -5.145  -3.041
  336    HA   ILE  44           HA       ILE  44   9.449  -4.803  -5.682
  337    HB   ILE  44           HB       ILE  44  12.215  -5.527  -4.633
  338   1HG1  ILE  44          1HG1      ILE  44  11.001  -2.925  -5.643
  339   2HG1  ILE  44          2HG1      ILE  44  11.260  -3.300  -3.961
  340   1HG2  ILE  44          1HG2      ILE  44  11.375  -4.715  -7.452
  341   2HG2  ILE  44          2HG2      ILE  44  13.057  -4.876  -6.872
  342   3HG2  ILE  44          3HG2      ILE  44  12.018  -6.284  -6.945
  343   1HD1  ILE  44          1HD1      ILE  44  13.737  -3.560  -4.490
  344   2HD1  ILE  44          2HD1      ILE  44  13.400  -2.797  -6.049
  345   3HD1  ILE  44          3HD1      ILE  44  13.066  -1.910  -4.556
  346    H    LYS  45           H        LYS  45  11.065  -7.724  -4.216
  347    HA   LYS  45           HA       LYS  45  10.572  -9.343  -6.488
  348   1HB   LYS  45          1HB       LYS  45  12.160  -9.659  -4.444
  349   2HB   LYS  45          2HB       LYS  45  10.770 -10.406  -3.647
  350   1HG   LYS  45          1HG       LYS  45  10.623 -12.049  -5.479
  351   2HG   LYS  45          2HG       LYS  45  11.950 -11.258  -6.343
  352   1HD   LYS  45          1HD       LYS  45  13.534 -11.811  -4.618
  353   2HD   LYS  45          2HD       LYS  45  12.262 -12.409  -3.541
  354   1HE   LYS  45          1HE       LYS  45  11.729 -14.228  -5.114
  355   2HE   LYS  45          2HE       LYS  45  12.936 -13.596  -6.254
  356   1HZ   LYS  45          2HZ       LYS  45  14.624 -14.031  -4.607
  357   2HZ   LYS  45          3HZ       LYS  45  13.512 -14.743  -3.598
  358   3HZ   LYS  45          1HZ       LYS  45  13.845 -15.403  -5.056
  359    H    ARG  46           H        ARG  46   8.527  -8.666  -3.708
  360    HA   ARG  46           HA       ARG  46   6.465 -10.584  -4.163
  361   1HB   ARG  46          1HB       ARG  46   6.941  -8.234  -2.426
  362   2HB   ARG  46          2HB       ARG  46   5.290  -8.370  -2.899
  363   1HG   ARG  46          1HG       ARG  46   5.717  -9.427  -0.756
  364   2HG   ARG  46          2HG       ARG  46   5.045 -10.536  -1.933
  365   1HD   ARG  46          1HD       ARG  46   7.967 -10.703  -2.002
  366   2HD   ARG  46          2HD       ARG  46   7.382 -10.815  -0.337
  367    HE   ARG  46           HE       ARG  46   5.936 -12.446  -2.273
  368   1HH1  ARG  46          2HH2      ARG  46   8.397 -12.481   0.372
  369   2HH1  ARG  46          1HH2      ARG  46   8.360 -14.213   0.456
  370   1HH2  ARG  46          2HH1      ARG  46   5.777 -14.676  -1.850
  371   2HH2  ARG  46          1HH1      ARG  46   6.867 -15.412  -0.716
  372    H    SER  47           H        SER  47   7.129  -7.559  -5.806
  373    HA   SER  47           HA       SER  47   4.361  -7.615  -6.977
  374   1HB   SER  47          1HB       SER  47   4.527  -5.172  -6.966
  375   2HB   SER  47          2HB       SER  47   4.702  -5.827  -5.327
  376    HG   SER  47           HG       SER  47   6.843  -5.365  -5.370
  377    H    GLY  48           H        GLY  48   7.784  -7.219  -7.749
  378   1HA   GLY  48          1HA       GLY  48   8.814  -7.180  -9.812
  379   2HA   GLY  48          2HA       GLY  48   7.255  -7.021 -10.628
  380    H    ARG  49           H        ARG  49   7.253  -4.736  -8.063
  381    HA   ARG  49           HA       ARG  49   8.109  -2.589  -9.971
  382   1HB   ARG  49          1HB       ARG  49   5.623  -2.832  -8.230
  383   2HB   ARG  49          2HB       ARG  49   6.247  -1.255  -8.752
  384   1HG   ARG  49          1HG       ARG  49   6.139  -1.916 -11.083
  385   2HG   ARG  49          2HG       ARG  49   5.516  -3.525 -10.639
  386   1HD   ARG  49          1HD       ARG  49   3.569  -2.421  -9.557
  387   2HD   ARG  49          2HD       ARG  49   4.146  -0.853 -10.078
  388    HE   ARG  49           HE       ARG  49   2.739  -2.786 -11.667
  389   1HH1  ARG  49          2HH2      ARG  49   4.997  -0.050 -11.934
  390   2HH1  ARG  49          1HH2      ARG  49   4.910   0.024 -13.669
  391   1HH2  ARG  49          2HH1      ARG  49   2.564  -2.630 -13.962
  392   2HH2  ARG  49          1HH1      ARG  49   3.406  -1.400 -14.821
  393    H    THR  50           H        THR  50   9.044  -0.741  -9.099
  394    HA   THR  50           HA       THR  50  10.206  -1.219  -6.425
  395    HB   THR  50           HB       THR  50  12.107   0.064  -7.334
  396    HG1  THR  50           HG1      THR  50  12.058   0.394  -9.639
  397   1HG2  THR  50          3HG2      THR  50  11.895  -2.467  -7.694
  398   2HG2  THR  50          1HG2      THR  50  11.327  -2.120  -9.329
  399   3HG2  THR  50          2HG2      THR  50  12.954  -1.630  -8.826
  400    H    THR  51           H        THR  51   8.100   1.084  -8.100
  401    HA   THR  51           HA       THR  51   8.874   3.166  -6.263
  402    HB   THR  51           HB       THR  51   6.845   4.363  -7.205
  403    HG1  THR  51           HG1      THR  51   6.035   3.560  -9.127
  404   1HG2  THR  51          3HG2      THR  51   9.228   4.566  -8.031
  405   2HG2  THR  51          1HG2      THR  51   8.828   3.383  -9.292
  406   3HG2  THR  51          2HG2      THR  51   7.989   4.957  -9.214
  407    H    VAL  52           H        VAL  52   7.726   4.034  -4.573
  408    HA   VAL  52           HA       VAL  52   5.647   2.367  -3.306
  409    HB   VAL  52           HB       VAL  52   6.764   4.315  -1.507
  410   1HG1  VAL  52          1HG1      VAL  52   5.843   1.966  -1.015
  411   2HG1  VAL  52          2HG1      VAL  52   7.366   1.363  -1.605
  412   3HG1  VAL  52          3HG1      VAL  52   7.302   2.455  -0.169
  413   1HG2  VAL  52          2HG2      VAL  52   8.948   2.638  -2.855
  414   2HG2  VAL  52          3HG2      VAL  52   8.830   4.408  -2.871
  415   3HG2  VAL  52          1HG2      VAL  52   9.120   3.532  -1.352
  416    HA   PRO  53           HA       PRO  53   4.309   3.156  -1.041
  417   1HB   PRO  53          1HB       PRO  53   1.653   3.163  -0.772
  418   2HB   PRO  53          2HB       PRO  53   2.657   4.541  -0.236
  419   1HG   PRO  53          1HG       PRO  53   1.185   4.220  -2.869
  420   2HG   PRO  53          2HG       PRO  53   1.092   5.597  -1.736
  421   1HD   PRO  53          1HD       PRO  53   2.757   5.577  -3.903
  422   2HD   PRO  53          2HD       PRO  53   3.259   6.365  -2.380
  423    H    GLN  54           H        GLN  54   3.102   1.002  -0.923
  424    HA   GLN  54           HA       GLN  54   1.743   0.115  -3.327
  425   1HB   GLN  54          1HB       GLN  54   4.105  -1.460  -2.206
  426   2HB   GLN  54          2HB       GLN  54   2.868  -2.087  -3.302
  427   1HG   GLN  54          1HG       GLN  54   3.534  -0.207  -4.931
  428   2HG   GLN  54          2HG       GLN  54   4.926   0.065  -3.864
  429   1HE2  GLN  54          2HE2      GLN  54   6.556  -2.202  -6.118
  430   2HE2  GLN  54          1HE2      GLN  54   6.213  -0.483  -5.817
  431    H    ILE  55           H        ILE  55   0.183  -1.705  -2.728
  432    HA   ILE  55           HA       ILE  55   0.000  -1.985   0.199
  433    HB   ILE  55           HB       ILE  55  -2.297  -1.550  -1.743
  434   1HG1  ILE  55          1HG1      ILE  55  -2.646   0.573  -0.309
  435   2HG1  ILE  55          2HG1      ILE  55  -0.968   0.421   0.160
  436   1HG2  ILE  55          2HG2      ILE  55  -2.840  -2.919   0.260
  437   2HG2  ILE  55          3HG2      ILE  55  -2.208  -1.646   1.311
  438   3HG2  ILE  55          1HG2      ILE  55  -3.656  -1.365   0.319
  439   1HD1  ILE  55          2HD1      ILE  55  -1.669   0.495  -2.783
  440   2HD1  ILE  55          3HD1      ILE  55  -1.714   1.996  -1.829
  441   3HD1  ILE  55          1HD1      ILE  55  -0.214   1.096  -1.966
  442    H    PHE  56           H        PHE  56  -0.673  -3.993   0.851
  443    HA   PHE  56           HA       PHE  56  -1.240  -6.062  -1.167
  444   1HB   PHE  56          1HB       PHE  56   0.593  -6.353   1.258
  445   2HB   PHE  56          2HB       PHE  56   0.023  -7.671   0.246
  446    HD1  PHE  56           HD1      PHE  56   2.060  -4.526   0.177
  447    HD2  PHE  56           HD2      PHE  56   1.237  -8.303  -1.726
  448    HE1  PHE  56           HE1      PHE  56   3.978  -4.169  -1.337
  449    HE2  PHE  56           HE2      PHE  56   3.162  -7.955  -3.233
  450    HZ   PHE  56           HZ       PHE  56   4.554  -5.882  -3.049
  451    H    ILE  57           H        ILE  57  -3.162  -7.026  -0.595
  452    HA   ILE  57           HA       ILE  57  -4.164  -6.639   2.174
  453    HB   ILE  57           HB       ILE  57  -5.893  -6.425  -0.290
  454   1HG1  ILE  57          1HG1      ILE  57  -5.051  -4.351   1.804
  455   2HG1  ILE  57          2HG1      ILE  57  -4.466  -4.407   0.151
  456   1HG2  ILE  57          2HG2      ILE  57  -6.512  -6.325   2.703
  457   2HG2  ILE  57          3HG2      ILE  57  -7.676  -5.945   1.420
  458   3HG2  ILE  57          1HG2      ILE  57  -7.026  -7.568   1.561
  459   1HD1  ILE  57          1HD1      ILE  57  -6.799  -4.057  -0.680
  460   2HD1  ILE  57          2HD1      ILE  57  -7.285  -3.791   1.014
  461   3HD1  ILE  57          3HD1      ILE  57  -6.109  -2.710   0.250
  462    H    ASP  58           H        ASP  58  -4.638  -8.584   3.079
  463    HA   ASP  58           HA       ASP  58  -4.480 -10.865   3.337
  464   1HB   ASP  58          1HB       ASP  58  -6.449 -10.499   1.122
  465   2HB   ASP  58          2HB       ASP  58  -6.090 -12.101   1.788
  466    H    ALA  59           H        ALA  59  -2.495  -9.755   2.261
  467    HA   ALA  59           HA       ALA  59  -0.472  -9.839   1.349
  468   1HB   ALA  59          3HB       ALA  59  -0.221 -11.931   2.490
  469   2HB   ALA  59          1HB       ALA  59  -0.940 -12.819   1.140
  470   3HB   ALA  59          2HB       ALA  59   0.618 -12.000   0.933
  471    H    GLN  60           H        GLN  60  -3.124 -10.217  -0.629
  472    HA   GLN  60           HA       GLN  60  -1.715 -10.680  -3.147
  473   1HB   GLN  60          1HB       GLN  60  -4.539  -9.800  -2.435
  474   2HB   GLN  60          2HB       GLN  60  -3.968  -9.992  -4.092
  475   1HG   GLN  60          1HG       GLN  60  -3.881 -12.279  -3.984
  476   2HG   GLN  60          2HG       GLN  60  -3.458 -12.333  -2.278
  477   1HE2  GLN  60          2HE2      GLN  60  -6.743 -12.732  -1.116
  478   2HE2  GLN  60          1HE2      GLN  60  -5.098 -12.351  -0.674
  479    H    HIS  61           H        HIS  61  -0.633  -9.181  -4.194
  480    HA   HIS  61           HA       HIS  61  -0.296  -6.487  -3.284
  481   1HB   HIS  61          1HB       HIS  61   1.353  -7.827  -4.662
  482   2HB   HIS  61          2HB       HIS  61   0.226  -7.789  -6.007
  483    HD1  HIS  61           HD1      HIS  61   1.161  -6.134  -7.771
  484    HD2  HIS  61           HD2      HIS  61   1.702  -4.939  -3.727
  485    HE1  HIS  61           HE1      HIS  61   2.461  -3.933  -7.815
  486    HE2  HIS  61           HE2      HIS  61   2.910  -3.311  -5.348
  487    H    ILE  62           H        ILE  62  -1.490  -4.637  -3.751
  488    HA   ILE  62           HA       ILE  62  -3.722  -4.848  -5.662
  489    HB   ILE  62           HB       ILE  62  -2.827  -2.360  -4.165
  490   1HG1  ILE  62          1HG1      ILE  62  -2.937  -3.831  -2.387
  491   2HG1  ILE  62          2HG1      ILE  62  -4.404  -2.883  -2.350
  492   1HG2  ILE  62          2HG2      ILE  62  -4.527  -2.084  -5.936
  493   2HG2  ILE  62          3HG2      ILE  62  -5.529  -3.342  -5.181
  494   3HG2  ILE  62          1HG2      ILE  62  -5.246  -1.809  -4.346
  495   1HD1  ILE  62          2HD1      ILE  62  -4.356  -5.716  -3.512
  496   2HD1  ILE  62          3HD1      ILE  62  -4.790  -5.322  -1.866
  497   3HD1  ILE  62          1HD1      ILE  62  -5.774  -4.690  -3.194
  498    H    GLY  63           H        GLY  63  -0.943  -2.662  -5.073
  499   1HA   GLY  63          1HA       GLY  63   0.427  -2.383  -7.363
  500   2HA   GLY  63          2HA       GLY  63  -1.076  -1.480  -7.673
  501    H    GLY  64           H        GLY  64   0.187   0.554  -7.537
  502   1HA   GLY  64          1HA       GLY  64   1.172   1.349  -4.892
  503   2HA   GLY  64          2HA       GLY  64   1.367   2.230  -6.408
  504    H    TYR  65           H        TYR  65   0.496   4.128  -5.492
  505    HA   TYR  65           HA       TYR  65  -1.931   4.263  -3.915
  506   1HB   TYR  65          1HB       TYR  65  -0.187   6.023  -3.654
  507   2HB   TYR  65          2HB       TYR  65  -0.264   6.358  -5.366
  508    HD1  TYR  65           HD2      TYR  65  -3.274   5.884  -3.142
  509    HD2  TYR  65           HD1      TYR  65  -0.764   8.671  -5.289
  510    HE1  TYR  65           HE2      TYR  65  -4.841   7.693  -2.649
  511    HE2  TYR  65           HE1      TYR  65  -2.423  10.458  -4.843
  512    HH   TYR  65           HH       TYR  65  -5.510   9.879  -3.160
  513    H    ASP  66           H        ASP  66  -1.113   5.418  -7.208
  514    HA   ASP  66           HA       ASP  66  -3.688   6.275  -7.936
  515   1HB   ASP  66          1HB       ASP  66  -1.151   5.516  -9.346
  516   2HB   ASP  66          2HB       ASP  66  -2.607   5.425 -10.294
  517    H    ASP  67           H        ASP  67  -2.173   3.101  -8.097
  518    HA   ASP  67           HA       ASP  67  -4.204   1.670  -9.485
  519   1HB   ASP  67          1HB       ASP  67  -2.348   0.544  -7.349
  520   2HB   ASP  67          2HB       ASP  67  -3.134  -0.312  -8.648
  521    H    LEU  68           H        LEU  68  -3.404   1.980  -5.981
  522    HA   LEU  68           HA       LEU  68  -5.508   0.440  -4.948
  523   1HB   LEU  68          1HB       LEU  68  -3.566   1.316  -3.611
  524   2HB   LEU  68          2HB       LEU  68  -4.265   2.926  -3.690
  525    HG   LEU  68           HG       LEU  68  -6.404   1.815  -2.640
  526   1HD1  LEU  68          2HD1      LEU  68  -4.269  -0.285  -2.120
  527   2HD1  LEU  68          3HD1      LEU  68  -5.656  -0.086  -1.043
  528   3HD1  LEU  68          1HD1      LEU  68  -5.925  -0.492  -2.734
  529   1HD2  LEU  68          2HD2      LEU  68  -5.131   3.473  -1.487
  530   2HD2  LEU  68          3HD2      LEU  68  -5.664   2.195  -0.400
  531   3HD2  LEU  68          1HD2      LEU  68  -3.965   2.251  -0.934
  532    H    TYR  69           H        TYR  69  -5.405   3.919  -5.590
  533    HA   TYR  69           HA       TYR  69  -7.939   4.657  -4.632
  534   1HB   TYR  69          1HB       TYR  69  -6.167   6.253  -5.371
  535   2HB   TYR  69          2HB       TYR  69  -6.367   5.745  -7.030
  536    HD1  TYR  69           HD2      TYR  69  -8.612   6.889  -4.202
  537    HD2  TYR  69           HD1      TYR  69  -7.686   7.128  -8.411
  538    HE1  TYR  69           HE2      TYR  69 -10.480   8.400  -4.507
  539    HE2  TYR  69           HE1      TYR  69  -9.549   8.725  -8.723
  540    HH   TYR  69           HH       TYR  69 -11.533   9.870  -5.944
  541    H    ALA  70           H        ALA  70  -7.051   3.576  -7.884
  542    HA   ALA  70           HA       ALA  70  -9.757   3.802  -8.952
  543   1HB   ALA  70          1HB       ALA  70  -7.340   2.208  -9.925
  544   2HB   ALA  70          2HB       ALA  70  -8.862   2.409 -10.821
  545   3HB   ALA  70          3HB       ALA  70  -7.866   3.825 -10.454
  546    H    LEU  71           H        LEU  71  -7.809   1.143  -7.597
  547    HA   LEU  71           HA       LEU  71  -9.751  -0.891  -8.047
  548   1HB   LEU  71          1HB       LEU  71  -7.152  -0.935  -7.433
  549   2HB   LEU  71          2HB       LEU  71  -7.729  -1.014  -5.782
  550    HG   LEU  71           HG       LEU  71  -7.157  -3.184  -6.786
  551   1HD1  LEU  71          2HD1      LEU  71  -8.748  -3.080  -4.964
  552   2HD1  LEU  71          3HD1      LEU  71 -10.067  -3.065  -6.169
  553   3HD1  LEU  71          1HD1      LEU  71  -9.003  -4.473  -6.024
  554   1HD2  LEU  71          1HD2      LEU  71  -7.899  -2.696  -9.139
  555   2HD2  LEU  71          2HD2      LEU  71  -8.392  -4.276  -8.507
  556   3HD2  LEU  71          3HD2      LEU  71  -9.577  -2.971  -8.597
  557    H    ASP  72           H        ASP  72  -9.159   1.310  -5.318
  558    HA   ASP  72           HA       ASP  72 -11.223   0.396  -3.552
  559   1HB   ASP  72          1HB       ASP  72  -9.500   1.921  -2.754
  560   2HB   ASP  72          2HB       ASP  72  -9.879   3.087  -3.993
  561    H    ALA  73           H        ALA  73 -11.161   3.090  -5.909
  562    HA   ALA  73           HA       ALA  73 -13.850   3.721  -5.740
  563   1HB   ALA  73          2HB       ALA  73 -12.100   3.893  -8.232
  564   2HB   ALA  73          3HB       ALA  73 -13.626   4.761  -7.988
  565   3HB   ALA  73          1HB       ALA  73 -12.229   5.129  -6.968
  566    H    ARG  74           H        ARG  74 -12.496   1.052  -7.529
  567    HA   ARG  74           HA       ARG  74 -15.038   0.443  -8.784
  568   1HB   ARG  74          1HB       ARG  74 -14.026  -1.081  -9.965
  569   2HB   ARG  74          2HB       ARG  74 -12.573  -0.236  -9.544
  570   1HG   ARG  74          1HG       ARG  74 -11.796  -1.995  -8.181
  571   2HG   ARG  74          2HG       ARG  74 -13.404  -2.610  -7.844
  572   1HD   ARG  74          1HD       ARG  74 -12.521  -4.209  -9.185
  573   2HD   ARG  74          2HD       ARG  74 -13.607  -3.333 -10.244
  574    HE   ARG  74           HE       ARG  74 -10.753  -3.667 -10.416
  575   1HH1  ARG  74          2HH2      ARG  74 -13.559  -2.003 -11.831
  576   2HH1  ARG  74          1HH2      ARG  74 -12.626  -1.243 -13.069
  577   1HH2  ARG  74          2HH1      ARG  74  -9.523  -2.632 -12.088
  578   2HH2  ARG  74          1HH1      ARG  74 -10.361  -1.816 -13.355
  579    H    GLY  75           H        GLY  75 -13.903   0.016  -5.620
  580   1HA   GLY  75          1HA       GLY  75 -14.758  -1.122  -3.820
  581   2HA   GLY  75          2HA       GLY  75 -16.096  -1.701  -4.827
  582    H    GLY  76           H        GLY  76 -12.497  -2.196  -5.479
  583   1HA   GLY  76          1HA       GLY  76 -12.958  -5.106  -5.006
  584   2HA   GLY  76          2HA       GLY  76 -11.735  -4.407  -6.053
  585    H    LEU  77           H        LEU  77 -11.285  -2.204  -3.886
  586    HA   LEU  77           HA       LEU  77  -9.371  -3.620  -2.173
  587   1HB   LEU  77          1HB       LEU  77  -9.128  -1.208  -2.968
  588   2HB   LEU  77          2HB       LEU  77 -10.467  -0.759  -1.930
  589    HG   LEU  77           HG       LEU  77  -7.723  -1.672  -1.103
  590   1HD1  LEU  77          3HD1      LEU  77  -8.063   0.681  -1.740
  591   2HD1  LEU  77          1HD1      LEU  77  -9.373   0.833  -0.549
  592   3HD1  LEU  77          2HD1      LEU  77  -7.710   0.550  -0.007
  593   1HD2  LEU  77          3HD2      LEU  77 -10.112  -1.185   0.736
  594   2HD2  LEU  77          1HD2      LEU  77  -9.175  -2.685   0.594
  595   3HD2  LEU  77          2HD2      LEU  77  -8.414  -1.251   1.255
  596    H    ASP  78           H        ASP  78 -12.351  -1.771  -1.733
  597    HA   ASP  78           HA       ASP  78 -12.980  -2.045   0.773
  598   1HB   ASP  78          1HB       ASP  78 -14.109  -0.774  -1.045
  599   2HB   ASP  78          2HB       ASP  78 -14.935  -2.206  -1.575
  600    HA   PRO  79           HA       PRO  79 -14.956  -6.329   0.852
  601   1HB   PRO  79          1HB       PRO  79 -15.122  -8.006  -1.279
  602   2HB   PRO  79          2HB       PRO  79 -16.275  -6.652  -1.054
  603   1HG   PRO  79          1HG       PRO  79 -13.738  -6.659  -2.742
  604   2HG   PRO  79          2HG       PRO  79 -15.402  -6.212  -3.253
  605   1HD   PRO  79          1HD       PRO  79 -13.630  -4.329  -2.450
  606   2HD   PRO  79          2HD       PRO  79 -15.360  -4.238  -1.993
  607    H    LEU  80           H        LEU  80 -11.877  -5.884  -0.738
  608    HA   LEU  80           HA       LEU  80 -10.890  -8.569  -0.009
  609   1HB   LEU  80          1HB       LEU  80  -9.520  -6.050  -1.018
  610   2HB   LEU  80          2HB       LEU  80  -8.608  -7.368  -0.310
  611    HG   LEU  80           HG       LEU  80 -10.382  -7.693  -2.747
  612   1HD1  LEU  80          1HD1      LEU  80  -8.405  -6.235  -3.159
  613   2HD1  LEU  80          2HD1      LEU  80  -7.340  -7.493  -2.478
  614   3HD1  LEU  80          3HD1      LEU  80  -8.245  -7.799  -3.980
  615   1HD2  LEU  80          3HD2      LEU  80  -8.380  -9.574  -1.411
  616   2HD2  LEU  80          1HD2      LEU  80 -10.131  -9.825  -1.581
  617   3HD2  LEU  80          2HD2      LEU  80  -9.109  -9.820  -3.012
  618    H    LEU  81           H        LEU  81 -11.571  -5.562   1.556
  619    HA   LEU  81           HA       LEU  81  -9.638  -5.757   3.659
  620   1HB   LEU  81          1HB       LEU  81 -11.206  -3.758   2.646
  621   2HB   LEU  81          2HB       LEU  81 -12.200  -4.228   4.005
  622    HG   LEU  81           HG       LEU  81 -10.884  -2.464   4.802
  623   1HD1  LEU  81          1HD1      LEU  81 -10.695  -4.274   6.453
  624   2HD1  LEU  81          2HD1      LEU  81  -9.204  -4.846   5.678
  625   3HD1  LEU  81          3HD1      LEU  81  -9.279  -3.242   6.436
  626   1HD2  LEU  81          2HD2      LEU  81  -8.628  -3.738   3.228
  627   2HD2  LEU  81          3HD2      LEU  81  -9.397  -2.145   3.061
  628   3HD2  LEU  81          1HD2      LEU  81  -8.335  -2.469   4.427
  629    H    LYS  82           H        LYS  82 -11.219  -8.142   3.196
  630    HA   LYS  82           HA       LYS  82 -13.151  -8.646   5.290
  631   1HB   LYS  82          1HB       LYS  82 -11.961 -10.118   3.076
  632   2HB   LYS  82          2HB       LYS  82 -11.858 -11.096   4.529
  633   1HG   LYS  82          1HG       LYS  82 -14.412  -9.787   3.476
  634   2HG   LYS  82          2HG       LYS  82 -13.929 -11.457   3.211
  635   1HD   LYS  82          1HD       LYS  82 -15.145 -11.945   5.038
  636   2HD   LYS  82          2HD       LYS  82 -13.761 -11.327   5.947
  637   1HE   LYS  82          1HE       LYS  82 -14.944  -9.004   5.779
  638   2HE   LYS  82          2HE       LYS  82 -16.349  -9.907   5.204
  639   1HZ   LYS  82          2HZ       LYS  82 -16.310 -11.136   7.275
  640   2HZ   LYS  82          3HZ       LYS  82 -15.034 -10.212   7.837
  641   3HZ   LYS  82          1HZ       LYS  82 -16.471  -9.522   7.550
  642   1HB2  GTT  83          1HB2      GTT  83   7.651   6.758  -2.999
  643   2HB2  GTT  83          2HB2      GTT  83   8.941   7.941  -2.767
  644    HA2  GTT  83           HA2      GTT  83   8.957   8.450  -5.157
  645    HN2  GTT  83           HN2      GTT  83   6.386   6.984  -5.084
  646   1HG1  GTT  83          1HG1      GTT  83   4.906   8.333  -6.851
  647   2HG1  GTT  83          2HG1      GTT  83   5.258   6.630  -7.192
  648   1HB1  GTT  83          1HB1      GTT  83   6.103   7.270  -9.448
  649   2HB1  GTT  83          2HB1      GTT  83   5.840   8.972  -9.048
  650    HA1  GTT  83           HA1      GTT  83   3.402   8.507  -8.733
  651   1HN1  GTT  83          1HN1      GTT  83   2.571   6.527  -9.792
  652   2HN1  GTT  83          2HN1      GTT  83   4.089   5.935  -9.946
  653   3HN1  GTT  83          3HN1      GTT  83   3.438   6.115  -8.441
  654    HN3  GTT  83           HN3      GTT  83  10.883   7.147  -4.247
  655   1HA3  GTT  83          1HA3      GTT  83  11.284   4.589  -3.663
  656   2HA3  GTT  83          2HA3      GTT  83  10.962   4.436  -5.402
   
  No H/Q in entry =         656
  Start of MODEL   17
    1   1H    ALA   1          1H        ALA   1  -8.162 -10.763   6.454
    2   2H    ALA   1          2H        ALA   1  -9.303 -10.293   5.341
    3   3H    ALA   1          3H        ALA   1  -7.748 -10.590   4.862
    4    HA   ALA   1           HA       ALA   1  -8.037  -8.317   4.886
    5   1HB   ALA   1          3HB       ALA   1  -9.955  -8.278   6.393
    6   2HB   ALA   1          1HB       ALA   1  -8.913  -8.615   7.777
    7   3HB   ALA   1          2HB       ALA   1  -8.720  -7.091   6.865
    8    H    ASN   2           H        ASN   2  -5.864  -8.402   4.532
    9    HA   ASN   2           HA       ASN   2  -4.303  -7.465   6.891
   10   1HB   ASN   2          1HB       ASN   2  -3.791  -9.884   6.546
   11   2HB   ASN   2          2HB       ASN   2  -3.255  -9.533   4.904
   12   1HD2  ASN   2          2HD2      ASN   2  -0.007  -8.945   6.190
   13   2HD2  ASN   2          1HD2      ASN   2  -1.006  -9.400   4.831
   14    H    VAL   3           H        VAL   3  -5.011  -5.418   5.820
   15    HA   VAL   3           HA       VAL   3  -3.876  -4.822   3.183
   16    HB   VAL   3           HB       VAL   3  -5.194  -3.044   5.292
   17   1HG1  VAL   3          2HG1      VAL   3  -4.374  -2.462   2.423
   18   2HG1  VAL   3          3HG1      VAL   3  -5.366  -1.386   3.437
   19   3HG1  VAL   3          1HG1      VAL   3  -3.690  -1.732   3.877
   20   1HG2  VAL   3          2HG2      VAL   3  -6.817  -4.647   4.334
   21   2HG2  VAL   3          3HG2      VAL   3  -7.130  -2.984   3.821
   22   3HG2  VAL   3          1HG2      VAL   3  -6.367  -4.115   2.702
   23    H    GLU   4           H        GLU   4  -1.734  -4.396   3.045
   24    HA   GLU   4           HA       GLU   4  -0.431  -2.970   5.262
   25   1HB   GLU   4          1HB       GLU   4   1.465  -4.512   3.619
   26   2HB   GLU   4          2HB       GLU   4   1.380  -4.299   5.345
   27   1HG   GLU   4          1HG       GLU   4  -0.147  -6.134   5.619
   28   2HG   GLU   4          2HG       GLU   4  -0.430  -6.247   3.870
   29    H    ILE   5           H        ILE   5   0.963  -1.317   4.515
   30    HA   ILE   5           HA       ILE   5   1.086  -0.878   1.606
   31    HB   ILE   5           HB       ILE   5  -0.785   0.473   2.087
   32   1HG1  ILE   5          1HG1      ILE   5   1.747   2.185   2.018
   33   2HG1  ILE   5          2HG1      ILE   5   1.074   1.365   0.649
   34   1HG2  ILE   5          3HG2      ILE   5  -0.474   0.646   4.604
   35   2HG2  ILE   5          1HG2      ILE   5   0.727   1.905   4.287
   36   3HG2  ILE   5          2HG2      ILE   5  -0.966   2.145   3.811
   37   1HD1  ILE   5          3HD1      ILE   5  -1.018   2.755   0.930
   38   2HD1  ILE   5          1HD1      ILE   5  -0.172   3.654   2.220
   39   3HD1  ILE   5          2HD1      ILE   5   0.468   3.670   0.573
   40    H    TYR   6           H        TYR   6   3.054  -0.707   1.108
   41    HA   TYR   6           HA       TYR   6   5.199  -0.223   3.027
   42   1HB   TYR   6          1HB       TYR   6   4.959  -0.782   0.058
   43   2HB   TYR   6          2HB       TYR   6   6.462  -0.319   0.804
   44    HD1  TYR   6           HD2      TYR   6   3.837  -2.959   0.855
   45    HD2  TYR   6           HD1      TYR   6   7.720  -1.743   2.149
   46    HE1  TYR   6           HE2      TYR   6   4.325  -5.317   1.610
   47    HE2  TYR   6           HE1      TYR   6   8.294  -4.089   2.762
   48    HH   TYR   6           HH       TYR   6   5.879  -6.539   3.153
   49    H    THR   7           H        THR   7   5.955   1.766   3.523
   50    HA   THR   7           HA       THR   7   5.266   4.034   1.759
   51    HB   THR   7           HB       THR   7   4.803   5.311   3.874
   52    HG1  THR   7           HG1      THR   7   4.377   4.163   5.728
   53   1HG2  THR   7          1HG2      THR   7   2.979   4.282   2.433
   54   2HG2  THR   7          2HG2      THR   7   2.944   2.946   3.615
   55   3HG2  THR   7          3HG2      THR   7   2.544   4.590   4.121
   56    H    LYS   8           H        LYS   8   6.568   6.068   2.481
   57    HA   LYS   8           HA       LYS   8   9.134   5.317   3.701
   58   1HB   LYS   8          1HB       LYS   8   9.060   4.991   1.123
   59   2HB   LYS   8          2HB       LYS   8   9.250   6.758   1.028
   60   1HG   LYS   8          1HG       LYS   8  11.354   6.567   2.254
   61   2HG   LYS   8          2HG       LYS   8  10.975   4.884   2.678
   62   1HD   LYS   8          1HD       LYS   8  12.543   4.551   1.033
   63   2HD   LYS   8          2HD       LYS   8  11.034   4.363   0.164
   64   1HE   LYS   8          1HE       LYS   8  12.377   5.667  -1.247
   65   2HE   LYS   8          2HE       LYS   8  11.287   6.851  -0.522
   66   1HZ   LYS   8          3HZ       LYS   8  14.031   6.301   0.471
   67   2HZ   LYS   8          1HZ       LYS   8  13.680   7.456  -0.607
   68   3HZ   LYS   8          2HZ       LYS   8  13.072   7.525   0.943
   69    H    GLU   9           H        GLU   9  10.211   7.148   4.512
   70    HA   GLU   9           HA       GLU   9   8.514   9.063   5.651
   71   1HB   GLU   9          1HB       GLU   9  10.668   8.440   6.639
   72   2HB   GLU   9          2HB       GLU   9  11.526   9.135   5.258
   73   1HG   GLU   9          1HG       GLU   9  10.639  11.404   5.897
   74   2HG   GLU   9          2HG       GLU   9   9.843  10.666   7.292
   75    H    THR  10           H        THR  10  10.972   9.720   3.116
   76    HA   THR  10           HA       THR  10   9.482  12.167   2.358
   77    HB   THR  10           HB       THR  10  11.594  12.808   2.938
   78    HG1  THR  10           HG1      THR  10  12.566  12.631   0.469
   79   1HG2  THR  10          3HG2      THR  10  12.837  10.496   1.430
   80   2HG2  THR  10          1HG2      THR  10  13.711  11.837   2.208
   81   3HG2  THR  10          2HG2      THR  10  12.788  10.730   3.202
   82    H    CYS  11           H        CYS  11   7.854  11.113   1.389
   83    HA   CYS  11           HA       CYS  11   8.266  10.779  -1.405
   84   1HB   CYS  11          1HB       CYS  11   8.766   8.491  -1.022
   85   2HB   CYS  11          2HB       CYS  11   7.431   8.301   0.118
   86    HA   PRO  12           HA       PRO  12   4.566  12.790   0.290
   87   1HB   PRO  12          1HB       PRO  12   3.831  14.207  -1.974
   88   2HB   PRO  12          2HB       PRO  12   4.918  14.791  -0.679
   89   1HG   PRO  12          1HG       PRO  12   5.672  13.703  -3.361
   90   2HG   PRO  12          2HG       PRO  12   6.499  14.946  -2.379
   91   1HD   PRO  12          1HD       PRO  12   7.317  12.331  -2.644
   92   2HD   PRO  12          2HD       PRO  12   7.651  13.298  -1.184
   93    H    TYR  13           H        TYR  13   4.629  11.181  -2.875
   94    HA   TYR  13           HA       TYR  13   1.840  10.601  -3.181
   95   1HB   TYR  13          1HB       TYR  13   3.825  10.515  -4.837
   96   2HB   TYR  13          2HB       TYR  13   4.299   9.015  -4.060
   97    HD1  TYR  13           HD2      TYR  13   1.321  10.665  -5.686
   98    HD2  TYR  13           HD1      TYR  13   3.569   7.044  -5.024
   99    HE1  TYR  13           HE2      TYR  13  -0.153   9.460  -7.248
  100    HE2  TYR  13           HE1      TYR  13   2.074   5.833  -6.600
  101    HH   TYR  13           HH       TYR  13  -0.748   7.434  -8.109
  102    H    SER  14           H        SER  14   4.450   8.861  -1.432
  103    HA   SER  14           HA       SER  14   2.836   6.631  -0.547
  104   1HB   SER  14          1HB       SER  14   5.257   6.534  -0.372
  105   2HB   SER  14          2HB       SER  14   5.306   7.990   0.618
  106    HG   SER  14           HG       SER  14   4.390   6.945   2.287
  107    H    HIS  15           H        HIS  15   3.350   9.990   0.645
  108    HA   HIS  15           HA       HIS  15   1.761   9.368   3.001
  109   1HB   HIS  15          1HB       HIS  15   2.865  11.967   1.931
  110   2HB   HIS  15          2HB       HIS  15   1.732  11.931   3.274
  111    HD1  HIS  15           HD1      HIS  15   2.618  11.051   5.607
  112    HD2  HIS  15           HD2      HIS  15   5.319  10.642   2.382
  113    HE1  HIS  15           HE1      HIS  15   4.916  10.370   6.608
  114    HE2  HIS  15           HE2      HIS  15   6.544  10.178   4.568
  115    H    ARG  16           H        ARG  16   0.946  10.766  -0.146
  116    HA   ARG  16           HA       ARG  16  -1.709  11.399   0.348
  117   1HB   ARG  16          1HB       ARG  16  -0.084  10.807  -2.023
  118   2HB   ARG  16          2HB       ARG  16  -1.696  10.201  -2.242
  119   1HG   ARG  16          1HG       ARG  16  -2.446  12.546  -1.312
  120   2HG   ARG  16          2HG       ARG  16  -0.781  13.039  -1.663
  121   1HD   ARG  16          1HD       ARG  16  -1.127  12.522  -4.046
  122   2HD   ARG  16          2HD       ARG  16  -2.703  11.799  -3.687
  123    HE   ARG  16           HE       ARG  16  -3.676  13.834  -3.354
  124   1HH1  ARG  16          2HH2      ARG  16  -0.313  14.375  -4.305
  125   2HH1  ARG  16          1HH2      ARG  16  -0.222  15.970  -3.604
  126   1HH2  ARG  16          2HH1      ARG  16  -3.666  16.124  -2.772
  127   2HH2  ARG  16          1HH1      ARG  16  -2.297  17.079  -3.279
  128    H    ALA  17           H        ALA  17  -0.430   8.129  -0.237
  129    HA   ALA  17           HA       ALA  17  -2.918   6.848  -0.412
  130   1HB   ALA  17          1HB       ALA  17  -0.697   5.822  -0.859
  131   2HB   ALA  17          2HB       ALA  17  -0.436   5.764   0.901
  132   3HB   ALA  17          3HB       ALA  17  -1.771   4.833   0.157
  133    H    LYS  18           H        LYS  18  -1.530   8.146   2.491
  134    HA   LYS  18           HA       LYS  18  -3.295   6.531   4.204
  135   1HB   LYS  18          1HB       LYS  18  -1.443   8.858   4.889
  136   2HB   LYS  18          2HB       LYS  18  -2.436   7.955   6.041
  137   1HG   LYS  18          1HG       LYS  18  -0.590   6.645   6.226
  138   2HG   LYS  18          2HG       LYS  18  -1.323   5.832   4.866
  139   1HD   LYS  18          1HD       LYS  18   0.832   6.028   4.063
  140   2HD   LYS  18          2HD       LYS  18   0.113   7.435   3.364
  141   1HE   LYS  18          1HE       LYS  18   2.377   7.835   4.368
  142   2HE   LYS  18          2HE       LYS  18   1.099   8.919   4.925
  143   1HZ   LYS  18          1HZ       LYS  18   2.161   6.633   6.483
  144   2HZ   LYS  18          2HZ       LYS  18   2.515   8.217   6.725
  145   3HZ   LYS  18          3HZ       LYS  18   1.007   7.665   6.981
  146    H    ALA  19           H        ALA  19  -3.394   9.751   2.706
  147    HA   ALA  19           HA       ALA  19  -5.848  10.511   4.093
  148   1HB   ALA  19          2HB       ALA  19  -4.291  12.174   2.979
  149   2HB   ALA  19          3HB       ALA  19  -4.739  11.474   1.405
  150   3HB   ALA  19          1HB       ALA  19  -5.961  12.273   2.411
  151    H    LEU  20           H        LEU  20  -5.084   8.624   1.193
  152    HA   LEU  20           HA       LEU  20  -7.830   8.508   0.257
  153   1HB   LEU  20          1HB       LEU  20  -6.092   8.062  -1.235
  154   2HB   LEU  20          2HB       LEU  20  -5.354   6.826  -0.234
  155    HG   LEU  20           HG       LEU  20  -6.574   6.248  -2.437
  156   1HD1  LEU  20          2HD1      LEU  20  -5.612   4.579  -0.878
  157   2HD1  LEU  20          3HD1      LEU  20  -7.197   4.484  -0.056
  158   3HD1  LEU  20          1HD1      LEU  20  -7.050   4.021  -1.747
  159   1HD2  LEU  20          3HD2      LEU  20  -8.747   7.345  -1.804
  160   2HD2  LEU  20          1HD2      LEU  20  -8.863   5.655  -2.355
  161   3HD2  LEU  20          2HD2      LEU  20  -8.986   6.010  -0.635
  162    H    LEU  21           H        LEU  21  -5.838   6.102   1.972
  163    HA   LEU  21           HA       LEU  21  -7.943   4.323   2.559
  164   1HB   LEU  21          1HB       LEU  21  -5.280   4.905   3.924
  165   2HB   LEU  21          2HB       LEU  21  -6.335   3.614   4.492
  166    HG   LEU  21           HG       LEU  21  -5.624   3.733   1.545
  167   1HD1  LEU  21          3HD1      LEU  21  -3.464   3.899   2.694
  168   2HD1  LEU  21          1HD1      LEU  21  -3.851   2.431   3.618
  169   3HD1  LEU  21          2HD1      LEU  21  -3.683   2.365   1.843
  170   1HD2  LEU  21          3HD2      LEU  21  -6.178   1.435   3.473
  171   2HD2  LEU  21          1HD2      LEU  21  -7.331   2.125   2.298
  172   3HD2  LEU  21          2HD2      LEU  21  -5.873   1.292   1.740
  173    H    SER  22           H        SER  22  -6.808   7.133   4.517
  174    HA   SER  22           HA       SER  22  -8.674   6.710   6.635
  175   1HB   SER  22          1HB       SER  22  -6.673   8.128   6.821
  176   2HB   SER  22          2HB       SER  22  -7.309   9.236   5.585
  177    HG   SER  22           HG       SER  22  -8.821   9.947   6.960
  178    H    SER  23           H        SER  23  -8.957   8.615   3.530
  179    HA   SER  23           HA       SER  23 -11.562   9.531   4.044
  180   1HB   SER  23          1HB       SER  23  -9.841   9.968   2.084
  181   2HB   SER  23          2HB       SER  23 -10.725   8.675   1.274
  182    HG   SER  23           HG       SER  23 -11.639  11.118   2.396
  183    H    LYS  24           H        LYS  24 -10.557   6.226   3.455
  184    HA   LYS  24           HA       LYS  24 -13.422   5.399   3.193
  185   1HB   LYS  24          1HB       LYS  24 -10.843   4.191   2.195
  186   2HB   LYS  24          2HB       LYS  24 -12.268   3.197   2.465
  187   1HG   LYS  24          1HG       LYS  24 -12.424   3.758   0.258
  188   2HG   LYS  24          2HG       LYS  24 -13.637   4.740   1.038
  189   1HD   LYS  24          1HD       LYS  24 -12.589   6.722   0.461
  190   2HD   LYS  24          2HD       LYS  24 -10.971   6.020   0.587
  191   1HE   LYS  24          1HE       LYS  24 -11.563   6.619  -1.749
  192   2HE   LYS  24          2HE       LYS  24 -11.126   4.926  -1.509
  193   1HZ   LYS  24          1HZ       LYS  24 -13.507   4.384  -1.499
  194   2HZ   LYS  24          2HZ       LYS  24 -13.892   5.938  -1.777
  195   3HZ   LYS  24          3HZ       LYS  24 -13.061   5.070  -2.906
  196    H    GLY  25           H        GLY  25 -11.324   5.919   5.609
  197   1HA   GLY  25          1HA       GLY  25 -11.465   5.349   7.793
  198   2HA   GLY  25          2HA       GLY  25 -12.895   4.388   7.425
  199    H    VAL  26           H        VAL  26  -9.832   3.656   5.786
  200    HA   VAL  26           HA       VAL  26 -10.194   0.905   6.733
  201    HB   VAL  26           HB       VAL  26  -8.042   1.950   4.883
  202   1HG1  VAL  26          3HG1      VAL  26  -7.762  -0.410   5.524
  203   2HG1  VAL  26          1HG1      VAL  26  -9.433  -0.747   5.000
  204   3HG1  VAL  26          2HG1      VAL  26  -8.190  -0.272   3.827
  205   1HG2  VAL  26          3HG2      VAL  26 -10.905   1.170   4.138
  206   2HG2  VAL  26          1HG2      VAL  26 -10.145   2.757   3.913
  207   3HG2  VAL  26          2HG2      VAL  26  -9.592   1.395   2.968
  208    H    SER  27           H        SER  27  -8.563  -0.352   7.701
  209    HA   SER  27           HA       SER  27  -6.431   1.045   9.255
  210   1HB   SER  27          1HB       SER  27  -7.864  -1.609   9.674
  211   2HB   SER  27          2HB       SER  27  -6.338  -1.203  10.478
  212    HG   SER  27           HG       SER  27  -7.273   0.429  11.542
  213    H    PHE  28           H        PHE  28  -4.346   0.570   8.706
  214    HA   PHE  28           HA       PHE  28  -3.794  -1.660   6.836
  215   1HB   PHE  28          1HB       PHE  28  -2.429  -0.049   5.478
  216   2HB   PHE  28          2HB       PHE  28  -4.163   0.151   5.355
  217    HD1  PHE  28           HD2      PHE  28  -1.050   1.715   6.675
  218    HD2  PHE  28           HD1      PHE  28  -5.324   2.131   6.199
  219    HE1  PHE  28           HE2      PHE  28  -0.902   4.108   7.290
  220    HE2  PHE  28           HE1      PHE  28  -5.156   4.519   6.814
  221    HZ   PHE  28           HZ       PHE  28  -2.946   5.516   7.367
  222    H    GLN  29           H        GLN  29  -1.767  -2.469   7.046
  223    HA   GLN  29           HA       GLN  29  -0.162  -1.893   9.417
  224   1HB   GLN  29          1HB       GLN  29  -0.753  -4.216   8.903
  225   2HB   GLN  29          2HB       GLN  29  -0.158  -4.075   7.260
  226   1HG   GLN  29          1HG       GLN  29   2.127  -3.909   7.993
  227   2HG   GLN  29          2HG       GLN  29   1.632  -3.686   9.672
  228   1HE2  GLN  29          2HE2      GLN  29   2.162  -7.466   8.365
  229   2HE2  GLN  29          1HE2      GLN  29   2.199  -6.233   7.139
  230    H    GLU  30           H        GLU  30   0.533   0.129   8.796
  231    HA   GLU  30           HA       GLU  30   1.766   0.670   6.250
  232   1HB   GLU  30          1HB       GLU  30   1.047   2.277   8.416
  233   2HB   GLU  30          2HB       GLU  30   2.824   2.280   8.498
  234   1HG   GLU  30          1HG       GLU  30   2.791   2.717   5.980
  235   2HG   GLU  30          2HG       GLU  30   1.056   2.976   6.130
  236    H    LEU  31           H        LEU  31   3.911   0.533   5.589
  237    HA   LEU  31           HA       LEU  31   5.821  -0.947   7.344
  238   1HB   LEU  31          1HB       LEU  31   5.029  -1.614   4.522
  239   2HB   LEU  31          2HB       LEU  31   6.429  -2.284   5.353
  240    HG   LEU  31           HG       LEU  31   3.524  -2.564   6.249
  241   1HD1  LEU  31          1HD1      LEU  31   4.022  -3.708   4.181
  242   2HD1  LEU  31          2HD1      LEU  31   5.440  -4.490   4.931
  243   3HD1  LEU  31          3HD1      LEU  31   3.788  -4.867   5.506
  244   1HD2  LEU  31          3HD2      LEU  31   6.055  -3.872   7.316
  245   2HD2  LEU  31          1HD2      LEU  31   4.955  -2.787   8.206
  246   3HD2  LEU  31          2HD2      LEU  31   4.393  -4.382   7.715
  247    HA   PRO  32           HA       PRO  32   7.939   2.879   5.819
  248   1HB   PRO  32          1HB       PRO  32   9.592   2.119   8.214
  249   2HB   PRO  32          2HB       PRO  32   8.945   3.713   7.739
  250   1HG   PRO  32          1HG       PRO  32   7.818   2.243   9.757
  251   2HG   PRO  32          2HG       PRO  32   6.804   3.195   8.623
  252   1HD   PRO  32          1HD       PRO  32   7.401   0.207   8.557
  253   2HD   PRO  32          2HD       PRO  32   5.859   1.057   8.324
  254    H    ILE  33           H        ILE  33   9.354   2.565   4.173
  255    HA   ILE  33           HA       ILE  33  11.430   0.453   4.401
  256    HB   ILE  33           HB       ILE  33  11.145   0.460   1.821
  257   1HG1  ILE  33          1HG1      ILE  33   8.279   1.003   2.500
  258   2HG1  ILE  33          2HG1      ILE  33   9.374   2.200   1.767
  259   1HG2  ILE  33          3HG2      ILE  33  10.968  -1.432   3.370
  260   2HG2  ILE  33          1HG2      ILE  33   9.267  -1.024   3.669
  261   3HG2  ILE  33          2HG2      ILE  33   9.836  -1.569   2.060
  262   1HD1  ILE  33          1HD1      ILE  33   8.701  -0.484   0.523
  263   2HD1  ILE  33          2HD1      ILE  33   7.986   1.085   0.098
  264   3HD1  ILE  33          3HD1      ILE  33   9.698   0.786  -0.182
  265    H    ASP  34           H        ASP  34  11.971   2.951   5.323
  266    HA   ASP  34           HA       ASP  34  14.355   3.403   3.669
  267   1HB   ASP  34          1HB       ASP  34  14.501   5.715   4.003
  268   2HB   ASP  34          2HB       ASP  34  13.007   5.413   3.225
  269    H    GLY  35           H        GLY  35  16.197   3.663   4.982
  270   1HA   GLY  35          1HA       GLY  35  17.443   3.294   6.934
  271   2HA   GLY  35          2HA       GLY  35  15.944   3.232   7.892
  272    H    ASN  36           H        ASN  36  14.409   1.447   6.722
  273    HA   ASN  36           HA       ASN  36  15.728  -1.196   6.751
  274   1HB   ASN  36          1HB       ASN  36  13.646  -1.369   7.813
  275   2HB   ASN  36          2HB       ASN  36  12.911  -0.122   6.813
  276   1HD2  ASN  36          2HD2      ASN  36  13.022  -3.696   4.880
  277   2HD2  ASN  36          1HD2      ASN  36  14.472  -3.326   5.860
  278    H    ALA  37           H        ALA  37  16.755  -1.776   4.910
  279    HA   ALA  37           HA       ALA  37  15.383  -1.211   2.334
  280   1HB   ALA  37          1HB       ALA  37  17.695  -0.286   2.502
  281   2HB   ALA  37          2HB       ALA  37  18.293  -1.943   2.758
  282   3HB   ALA  37          3HB       ALA  37  17.505  -1.513   1.230
  283    H    ALA  38           H        ALA  38  16.500  -3.722   4.474
  284    HA   ALA  38           HA       ALA  38  16.600  -5.831   2.618
  285   1HB   ALA  38          1HB       ALA  38  17.420  -6.036   4.941
  286   2HB   ALA  38          2HB       ALA  38  15.742  -6.137   5.529
  287   3HB   ALA  38          3HB       ALA  38  16.392  -7.391   4.455
  288    H    LYS  39           H        LYS  39  13.788  -5.299   4.810
  289    HA   LYS  39           HA       LYS  39  11.991  -6.867   3.289
  290   1HB   LYS  39          1HB       LYS  39  11.643  -5.808   5.657
  291   2HB   LYS  39          2HB       LYS  39  11.102  -4.371   4.780
  292   1HG   LYS  39          1HG       LYS  39   9.467  -6.117   3.577
  293   2HG   LYS  39          2HG       LYS  39   9.787  -7.084   5.003
  294   1HD   LYS  39          1HD       LYS  39   8.631  -4.282   4.906
  295   2HD   LYS  39          2HD       LYS  39   7.740  -5.751   5.261
  296   1HE   LYS  39          1HE       LYS  39  10.051  -4.733   6.975
  297   2HE   LYS  39          2HE       LYS  39   8.390  -4.218   7.219
  298   1HZ   LYS  39          2HZ       LYS  39   9.285  -7.034   7.376
  299   2HZ   LYS  39          3HZ       LYS  39   9.005  -6.020   8.641
  300   3HZ   LYS  39          1HZ       LYS  39   7.759  -6.467   7.652
  301    H    ARG  40           H        ARG  40  13.067  -3.515   2.607
  302    HA   ARG  40           HA       ARG  40  10.966  -3.011   0.699
  303   1HB   ARG  40          1HB       ARG  40  12.514  -1.217   1.603
  304   2HB   ARG  40          2HB       ARG  40  13.814  -1.896   0.636
  305   1HG   ARG  40          1HG       ARG  40  12.744  -1.459  -1.405
  306   2HG   ARG  40          2HG       ARG  40  11.182  -1.150  -0.645
  307   1HD   ARG  40          1HD       ARG  40  12.530   0.855  -1.603
  308   2HD   ARG  40          2HD       ARG  40  11.729   1.047  -0.082
  309    HE   ARG  40           HE       ARG  40  13.638   1.132   1.099
  310   1HH1  ARG  40          2HH2      ARG  40  14.334   0.881  -2.379
  311   2HH1  ARG  40          1HH2      ARG  40  16.035   1.072  -2.212
  312   1HH2  ARG  40          2HH1      ARG  40  15.928   1.394   1.351
  313   2HH2  ARG  40          1HH1      ARG  40  16.958   1.390  -0.026
  314    H    GLU  41           H        GLU  41  14.241  -4.470   0.458
  315    HA   GLU  41           HA       GLU  41  14.138  -4.998  -2.301
  316   1HB   GLU  41          1HB       GLU  41  16.078  -5.059  -0.519
  317   2HB   GLU  41          2HB       GLU  41  15.601  -6.755  -0.318
  318   1HG   GLU  41          1HG       GLU  41  15.796  -6.922  -2.886
  319   2HG   GLU  41          2HG       GLU  41  16.558  -5.326  -2.819
  320    H    GLU  42           H        GLU  42  13.065  -6.959   0.516
  321    HA   GLU  42           HA       GLU  42  12.330  -9.311  -0.901
  322   1HB   GLU  42          1HB       GLU  42  12.515  -9.000   1.618
  323   2HB   GLU  42          2HB       GLU  42  11.036  -8.048   1.571
  324   1HG   GLU  42          1HG       GLU  42   9.810  -9.971   0.639
  325   2HG   GLU  42          2HG       GLU  42  11.309 -10.935   0.700
  326    H    MET  43           H        MET  43  10.443  -6.414  -0.033
  327    HA   MET  43           HA       MET  43   8.028  -7.083  -1.316
  328   1HB   MET  43          1HB       MET  43   8.288  -5.427   0.418
  329   2HB   MET  43          2HB       MET  43   9.277  -4.394  -0.604
  330   1HG   MET  43          1HG       MET  43   6.434  -5.189  -1.264
  331   2HG   MET  43          2HG       MET  43   6.846  -3.751  -0.345
  332   1HE   MET  43          1HE       MET  43   9.344  -2.401  -1.743
  333   2HE   MET  43          2HE       MET  43   8.548  -1.381  -2.953
  334   3HE   MET  43          3HE       MET  43   7.867  -1.496  -1.321
  335    H    ILE  44           H        ILE  44  10.928  -5.392  -2.627
  336    HA   ILE  44           HA       ILE  44   9.837  -4.583  -5.084
  337    HB   ILE  44           HB       ILE  44  12.635  -5.340  -4.214
  338   1HG1  ILE  44          1HG1      ILE  44  11.390  -2.739  -5.128
  339   2HG1  ILE  44          2HG1      ILE  44  11.428  -3.204  -3.469
  340   1HG2  ILE  44          1HG2      ILE  44  11.839  -4.410  -6.999
  341   2HG2  ILE  44          2HG2      ILE  44  13.493  -4.395  -6.381
  342   3HG2  ILE  44          3HG2      ILE  44  12.657  -5.930  -6.572
  343   1HD1  ILE  44          2HD1      ILE  44  13.949  -3.218  -3.556
  344   2HD1  ILE  44          3HD1      ILE  44  13.842  -2.563  -5.206
  345   3HD1  ILE  44          1HD1      ILE  44  13.202  -1.638  -3.848
  346    H    LYS  45           H        LYS  45  10.941  -7.817  -4.086
  347    HA   LYS  45           HA       LYS  45  10.612  -9.009  -6.695
  348   1HB   LYS  45          1HB       LYS  45  11.858  -9.910  -4.583
  349   2HB   LYS  45          2HB       LYS  45  10.288 -10.487  -4.053
  350   1HG   LYS  45          1HG       LYS  45  10.333 -12.241  -5.452
  351   2HG   LYS  45          2HG       LYS  45  10.727 -11.247  -6.851
  352   1HD   LYS  45          1HD       LYS  45  12.772 -12.201  -4.800
  353   2HD   LYS  45          2HD       LYS  45  12.426 -12.993  -6.347
  354   1HE   LYS  45          1HE       LYS  45  13.038 -10.909  -7.566
  355   2HE   LYS  45          2HE       LYS  45  13.412 -10.122  -6.026
  356   1HZ   LYS  45          2HZ       LYS  45  15.126 -11.773  -5.673
  357   2HZ   LYS  45          3HZ       LYS  45  14.819 -12.458  -7.148
  358   3HZ   LYS  45          1HZ       LYS  45  15.400 -10.900  -7.018
  359    H    ARG  46           H        ARG  46   8.474  -8.787  -3.828
  360    HA   ARG  46           HA       ARG  46   6.291 -10.248  -4.982
  361   1HB   ARG  46          1HB       ARG  46   6.295  -8.170  -2.737
  362   2HB   ARG  46          2HB       ARG  46   4.865  -9.027  -3.295
  363   1HG   ARG  46          1HG       ARG  46   5.496 -10.229  -1.440
  364   2HG   ARG  46          2HG       ARG  46   6.016 -11.206  -2.820
  365   1HD   ARG  46          1HD       ARG  46   8.302 -10.269  -2.526
  366   2HD   ARG  46          2HD       ARG  46   7.753  -9.393  -1.085
  367    HE   ARG  46           HE       ARG  46   7.050 -11.817  -0.358
  368   1HH1  ARG  46          2HH2      ARG  46  10.064 -10.745  -1.894
  369   2HH1  ARG  46          1HH2      ARG  46  10.991 -12.135  -1.470
  370   1HH2  ARG  46          2HH1      ARG  46   8.250 -13.635   0.319
  371   2HH2  ARG  46          1HH1      ARG  46   9.961 -13.745   0.020
  372    H    SER  47           H        SER  47   6.873  -6.698  -4.904
  373    HA   SER  47           HA       SER  47   4.361  -6.124  -6.238
  374   1HB   SER  47          1HB       SER  47   5.356  -3.823  -6.413
  375   2HB   SER  47          2HB       SER  47   5.358  -4.450  -4.760
  376    HG   SER  47           HG       SER  47   7.503  -4.654  -4.814
  377    H    GLY  48           H        GLY  48   7.590  -6.961  -7.296
  378   1HA   GLY  48          1HA       GLY  48   8.506  -7.236  -9.346
  379   2HA   GLY  48          2HA       GLY  48   6.936  -6.937 -10.114
  380    H    ARG  49           H        ARG  49   8.117  -4.513  -7.789
  381    HA   ARG  49           HA       ARG  49   8.832  -2.616  -9.940
  382   1HB   ARG  49          1HB       ARG  49   6.496  -2.435  -7.987
  383   2HB   ARG  49          2HB       ARG  49   7.185  -0.995  -8.749
  384   1HG   ARG  49          1HG       ARG  49   6.591  -1.671 -10.914
  385   2HG   ARG  49          2HG       ARG  49   6.206  -3.327 -10.413
  386   1HD   ARG  49          1HD       ARG  49   4.463  -1.873  -8.844
  387   2HD   ARG  49          2HD       ARG  49   4.535  -0.898 -10.325
  388    HE   ARG  49           HE       ARG  49   4.166  -3.801 -10.671
  389   1HH1  ARG  49          2HH2      ARG  49   2.497  -0.674 -10.593
  390   2HH1  ARG  49          1HH2      ARG  49   1.181  -1.219 -11.557
  391   1HH2  ARG  49          2HH1      ARG  49   2.404  -4.585 -11.660
  392   2HH2  ARG  49          1HH1      ARG  49   1.033  -3.590 -12.089
  393    H    THR  50           H        THR  50   9.562  -0.509  -8.799
  394    HA   THR  50           HA       THR  50  10.951  -1.185  -6.250
  395    HB   THR  50           HB       THR  50  11.912  -0.225  -8.897
  396    HG1  THR  50           HG1      THR  50  12.839  -2.029  -8.743
  397   1HG2  THR  50          2HG2      THR  50  13.461   0.224  -6.316
  398   2HG2  THR  50          3HG2      THR  50  14.077   0.416  -7.972
  399   3HG2  THR  50          1HG2      THR  50  12.828   1.514  -7.373
  400    H    THR  51           H        THR  51   8.854   1.091  -7.895
  401    HA   THR  51           HA       THR  51   9.575   3.297  -6.163
  402    HB   THR  51           HB       THR  51   7.360   4.204  -7.031
  403    HG1  THR  51           HG1      THR  51   6.198   2.487  -7.595
  404   1HG2  THR  51          3HG2      THR  51   9.501   4.743  -8.114
  405   2HG2  THR  51          1HG2      THR  51   9.378   3.290  -9.120
  406   3HG2  THR  51          2HG2      THR  51   8.191   4.592  -9.293
  407    H    VAL  52           H        VAL  52   7.928   4.254  -4.660
  408    HA   VAL  52           HA       VAL  52   6.186   2.285  -3.327
  409    HB   VAL  52           HB       VAL  52   6.788   3.160  -1.231
  410   1HG1  VAL  52          1HG1      VAL  52   8.594   1.748  -2.208
  411   2HG1  VAL  52          2HG1      VAL  52   9.443   3.233  -2.703
  412   3HG1  VAL  52          3HG1      VAL  52   9.158   2.922  -0.988
  413   1HG2  VAL  52          3HG2      VAL  52   8.204   5.440  -2.633
  414   2HG2  VAL  52          1HG2      VAL  52   6.744   5.515  -1.607
  415   3HG2  VAL  52          2HG2      VAL  52   8.296   5.098  -0.893
  416    HA   PRO  53           HA       PRO  53   4.691   2.865  -1.394
  417   1HB   PRO  53          1HB       PRO  53   2.024   2.821  -1.031
  418   2HB   PRO  53          2HB       PRO  53   3.007   4.221  -0.501
  419   1HG   PRO  53          1HG       PRO  53   1.391   3.914  -3.048
  420   2HG   PRO  53          2HG       PRO  53   1.418   5.308  -1.917
  421   1HD   PRO  53          1HD       PRO  53   2.925   5.135  -4.233
  422   2HD   PRO  53          2HD       PRO  53   3.440   6.091  -2.809
  423    H    GLN  54           H        GLN  54   3.490   0.760  -1.225
  424    HA   GLN  54           HA       GLN  54   2.533  -0.423  -3.749
  425   1HB   GLN  54          1HB       GLN  54   4.775  -1.581  -2.011
  426   2HB   GLN  54          2HB       GLN  54   3.961  -2.449  -3.299
  427   1HG   GLN  54          1HG       GLN  54   5.551   0.126  -3.721
  428   2HG   GLN  54          2HG       GLN  54   6.230  -1.466  -3.898
  429   1HE2  GLN  54          2HE2      GLN  54   5.359  -0.289  -7.274
  430   2HE2  GLN  54          1HE2      GLN  54   6.454   0.140  -5.962
  431    H    ILE  55           H        ILE  55   0.642  -1.747  -3.146
  432    HA   ILE  55           HA       ILE  55   0.221  -1.950  -0.232
  433    HB   ILE  55           HB       ILE  55  -1.772  -1.391  -2.470
  434   1HG1  ILE  55          1HG1      ILE  55  -2.071   0.644  -0.659
  435   2HG1  ILE  55          2HG1      ILE  55  -0.382   0.307  -0.435
  436   1HG2  ILE  55          1HG2      ILE  55  -2.722  -2.860  -0.677
  437   2HG2  ILE  55          2HG2      ILE  55  -2.242  -1.657   0.537
  438   3HG2  ILE  55          3HG2      ILE  55  -3.448  -1.269  -0.701
  439   1HD1  ILE  55          3HD1      ILE  55  -1.708   1.013  -3.080
  440   2HD1  ILE  55          1HD1      ILE  55  -0.783   2.126  -2.059
  441   3HD1  ILE  55          2HD1      ILE  55   0.037   0.773  -2.854
  442    H    PHE  56           H        PHE  56  -0.584  -3.868   0.466
  443    HA   PHE  56           HA       PHE  56  -0.936  -6.074  -1.443
  444   1HB   PHE  56          1HB       PHE  56   0.765  -6.114   1.095
  445   2HB   PHE  56          2HB       PHE  56   0.260  -7.550   0.200
  446    HD1  PHE  56           HD2      PHE  56   1.240  -8.113  -2.006
  447    HD2  PHE  56           HD1      PHE  56   2.445  -4.584   0.146
  448    HE1  PHE  56           HE2      PHE  56   3.134  -7.809  -3.554
  449    HE2  PHE  56           HE1      PHE  56   4.341  -4.267  -1.426
  450    HZ   PHE  56           HZ       PHE  56   4.700  -5.913  -3.279
  451    H    ILE  57           H        ILE  57  -2.740  -7.269  -0.856
  452    HA   ILE  57           HA       ILE  57  -3.885  -6.814   1.852
  453    HB   ILE  57           HB       ILE  57  -5.581  -6.840  -0.662
  454   1HG1  ILE  57          1HG1      ILE  57  -4.787  -4.467   1.099
  455   2HG1  ILE  57          2HG1      ILE  57  -4.289  -4.739  -0.558
  456   1HG2  ILE  57          1HG2      ILE  57  -6.188  -6.403   2.310
  457   2HG2  ILE  57          2HG2      ILE  57  -7.370  -6.206   1.001
  458   3HG2  ILE  57          3HG2      ILE  57  -6.673  -7.789   1.325
  459   1HD1  ILE  57          2HD1      ILE  57  -6.809  -4.764  -1.147
  460   2HD1  ILE  57          3HD1      ILE  57  -7.036  -3.992   0.431
  461   3HD1  ILE  57          1HD1      ILE  57  -6.024  -3.218  -0.809
  462    H    ASP  58           H        ASP  58  -4.169  -8.744   2.827
  463    HA   ASP  58           HA       ASP  58  -3.726 -10.981   3.132
  464   1HB   ASP  58          1HB       ASP  58  -5.843 -10.943   1.019
  465   2HB   ASP  58          2HB       ASP  58  -5.398 -12.414   1.903
  466    H    ALA  59           H        ALA  59  -1.844  -9.957   1.775
  467    HA   ALA  59           HA       ALA  59   0.134 -10.407   0.793
  468   1HB   ALA  59          2HB       ALA  59  -0.191 -12.786   1.491
  469   2HB   ALA  59          3HB       ALA  59  -0.930 -13.112  -0.096
  470   3HB   ALA  59          1HB       ALA  59   0.755 -12.588  -0.002
  471    H    GLN  60           H        GLN  60  -2.778 -10.327  -1.030
  472    HA   GLN  60           HA       GLN  60  -1.588 -10.632  -3.651
  473   1HB   GLN  60          1HB       GLN  60  -4.172 -10.665  -2.569
  474   2HB   GLN  60          2HB       GLN  60  -4.164  -9.189  -3.522
  475   1HG   GLN  60          1HG       GLN  60  -3.427 -10.471  -5.511
  476   2HG   GLN  60          2HG       GLN  60  -3.339 -11.942  -4.533
  477   1HE2  GLN  60          2HE2      GLN  60  -7.024 -12.078  -4.145
  478   2HE2  GLN  60          1HE2      GLN  60  -5.573 -12.184  -3.145
  479    H    HIS  61           H        HIS  61  -0.379  -9.118  -4.622
  480    HA   HIS  61           HA       HIS  61  -0.042  -6.433  -3.654
  481   1HB   HIS  61          1HB       HIS  61   1.634  -7.706  -5.095
  482   2HB   HIS  61          2HB       HIS  61   0.494  -7.676  -6.411
  483    HD1  HIS  61           HD1      HIS  61   1.904  -6.323  -8.079
  484    HD2  HIS  61           HD2      HIS  61   1.653  -4.612  -4.227
  485    HE1  HIS  61           HE1      HIS  61   2.998  -4.000  -8.223
  486    HE2  HIS  61           HE2      HIS  61   2.791  -2.920  -5.953
  487    H    ILE  62           H        ILE  62  -0.917  -4.507  -4.409
  488    HA   ILE  62           HA       ILE  62  -3.284  -4.667  -6.176
  489    HB   ILE  62           HB       ILE  62  -2.154  -2.221  -4.765
  490   1HG1  ILE  62          1HG1      ILE  62  -2.606  -3.688  -3.005
  491   2HG1  ILE  62          2HG1      ILE  62  -3.961  -2.589  -3.090
  492   1HG2  ILE  62          3HG2      ILE  62  -4.878  -2.796  -6.008
  493   2HG2  ILE  62          1HG2      ILE  62  -4.466  -1.364  -5.050
  494   3HG2  ILE  62          2HG2      ILE  62  -3.663  -1.648  -6.598
  495   1HD1  ILE  62          3HD1      ILE  62  -5.293  -4.343  -4.345
  496   2HD1  ILE  62          1HD1      ILE  62  -3.975  -5.493  -4.034
  497   3HD1  ILE  62          2HD1      ILE  62  -4.869  -4.791  -2.695
  498    H    GLY  63           H        GLY  63  -0.732  -2.154  -6.114
  499   1HA   GLY  63          1HA       GLY  63   0.506  -2.688  -8.603
  500   2HA   GLY  63          2HA       GLY  63  -0.893  -1.637  -8.875
  501    H    GLY  64           H        GLY  64  -1.079   0.150  -7.009
  502   1HA   GLY  64          1HA       GLY  64   1.184   1.259  -5.726
  503   2HA   GLY  64          2HA       GLY  64   0.915   2.007  -7.313
  504    H    TYR  65           H        TYR  65   0.274   3.971  -6.054
  505    HA   TYR  65           HA       TYR  65  -1.976   3.866  -4.182
  506   1HB   TYR  65          1HB       TYR  65  -0.328   5.499  -3.632
  507   2HB   TYR  65          2HB       TYR  65  -0.247   6.066  -5.278
  508    HD1  TYR  65           HD2      TYR  65  -2.540   5.908  -2.347
  509    HD2  TYR  65           HD1      TYR  65  -1.609   7.897  -6.035
  510    HE1  TYR  65           HE2      TYR  65  -4.028   7.830  -1.733
  511    HE2  TYR  65           HE1      TYR  65  -3.086   9.751  -5.444
  512    HH   TYR  65           HH       TYR  65  -4.806  10.442  -3.990
  513    H    ASP  66           H        ASP  66  -1.403   5.211  -7.530
  514    HA   ASP  66           HA       ASP  66  -4.078   6.200  -7.819
  515   1HB   ASP  66          1HB       ASP  66  -2.047   5.281  -9.897
  516   2HB   ASP  66          2HB       ASP  66  -3.640   5.873 -10.323
  517    H    ASP  67           H        ASP  67  -2.522   3.090  -8.460
  518    HA   ASP  67           HA       ASP  67  -4.702   1.753  -9.701
  519   1HB   ASP  67          1HB       ASP  67  -2.508   0.593  -7.941
  520   2HB   ASP  67          2HB       ASP  67  -3.660  -0.369  -8.859
  521    H    LEU  68           H        LEU  68  -3.696   1.906  -6.232
  522    HA   LEU  68           HA       LEU  68  -5.891   0.359  -5.286
  523   1HB   LEU  68          1HB       LEU  68  -3.880   0.794  -3.887
  524   2HB   LEU  68          2HB       LEU  68  -4.298   2.503  -3.812
  525    HG   LEU  68           HG       LEU  68  -6.481   1.905  -2.686
  526   1HD1  LEU  68          1HD1      LEU  68  -5.302  -0.904  -2.569
  527   2HD1  LEU  68          2HD1      LEU  68  -6.756  -0.351  -1.732
  528   3HD1  LEU  68          3HD1      LEU  68  -6.755  -0.428  -3.476
  529   1HD2  LEU  68          1HD2      LEU  68  -4.443   2.533  -1.400
  530   2HD2  LEU  68          2HD2      LEU  68  -5.668   1.590  -0.545
  531   3HD2  LEU  68          3HD2      LEU  68  -4.189   0.795  -1.112
  532    H    TYR  69           H        TYR  69  -5.457   3.843  -5.686
  533    HA   TYR  69           HA       TYR  69  -7.735   4.741  -4.356
  534   1HB   TYR  69          1HB       TYR  69  -5.951   6.222  -5.338
  535   2HB   TYR  69          2HB       TYR  69  -6.635   5.966  -6.929
  536    HD1  TYR  69           HD1      TYR  69  -9.322   6.513  -7.129
  537    HD2  TYR  69           HD2      TYR  69  -6.637   8.124  -4.139
  538    HE1  TYR  69           HE1      TYR  69 -10.964   8.228  -6.601
  539    HE2  TYR  69           HE2      TYR  69  -8.286   9.875  -3.622
  540    HH   TYR  69           HH       TYR  69 -11.602   9.798  -4.959
  541    H    ALA  70           H        ALA  70  -7.427   3.780  -7.794
  542    HA   ALA  70           HA       ALA  70 -10.225   4.197  -8.404
  543   1HB   ALA  70          2HB       ALA  70  -8.110   2.477  -9.778
  544   2HB   ALA  70          3HB       ALA  70  -9.707   2.872 -10.448
  545   3HB   ALA  70          1HB       ALA  70  -8.530   4.163 -10.161
  546    H    LEU  71           H        LEU  71  -8.307   1.410  -7.306
  547    HA   LEU  71           HA       LEU  71 -10.368  -0.567  -7.472
  548   1HB   LEU  71          1HB       LEU  71  -7.788  -0.801  -7.054
  549   2HB   LEU  71          2HB       LEU  71  -8.178  -0.526  -5.374
  550    HG   LEU  71           HG       LEU  71  -7.913  -2.855  -5.801
  551   1HD1  LEU  71          2HD1      LEU  71  -9.592  -2.148  -4.140
  552   2HD1  LEU  71          3HD1      LEU  71 -10.849  -2.505  -5.364
  553   3HD1  LEU  71          1HD1      LEU  71  -9.782  -3.783  -4.778
  554   1HD2  LEU  71          2HD2      LEU  71  -8.608  -2.890  -8.217
  555   2HD2  LEU  71          3HD2      LEU  71  -9.271  -4.210  -7.241
  556   3HD2  LEU  71          1HD2      LEU  71 -10.300  -2.835  -7.670
  557    H    ASP  72           H        ASP  72  -9.407   1.678  -4.846
  558    HA   ASP  72           HA       ASP  72 -11.347   0.691  -2.953
  559   1HB   ASP  72          1HB       ASP  72  -9.093   1.869  -2.535
  560   2HB   ASP  72          2HB       ASP  72  -9.917   3.371  -2.937
  561    H    ALA  73           H        ALA  73 -11.260   3.274  -5.381
  562    HA   ALA  73           HA       ALA  73 -13.768   4.460  -4.679
  563   1HB   ALA  73          1HB       ALA  73 -12.037   5.651  -6.010
  564   2HB   ALA  73          2HB       ALA  73 -12.303   4.504  -7.345
  565   3HB   ALA  73          3HB       ALA  73 -13.601   5.598  -6.841
  566    H    ARG  74           H        ARG  74 -12.972   1.666  -6.601
  567    HA   ARG  74           HA       ARG  74 -15.717   1.317  -7.535
  568   1HB   ARG  74          1HB       ARG  74 -14.952  -0.419  -8.740
  569   2HB   ARG  74          2HB       ARG  74 -13.480   0.474  -8.597
  570   1HG   ARG  74          1HG       ARG  74 -12.427  -1.313  -7.772
  571   2HG   ARG  74          2HG       ARG  74 -13.522  -1.405  -6.423
  572   1HD   ARG  74          1HD       ARG  74 -14.300  -2.620  -9.063
  573   2HD   ARG  74          2HD       ARG  74 -13.259  -3.454  -7.897
  574    HE   ARG  74           HE       ARG  74 -15.822  -2.322  -6.957
  575   1HH1  ARG  74          2HH2      ARG  74 -13.970  -5.336  -7.604
  576   2HH1  ARG  74          1HH2      ARG  74 -15.113  -6.310  -6.719
  577   1HH2  ARG  74          2HH1      ARG  74 -17.177  -3.644  -5.686
  578   2HH2  ARG  74          1HH1      ARG  74 -17.054  -5.350  -5.830
  579    H    GLY  75           H        GLY  75 -14.253   1.013  -4.536
  580   1HA   GLY  75          1HA       GLY  75 -14.957   0.169  -2.547
  581   2HA   GLY  75          2HA       GLY  75 -16.446  -0.396  -3.319
  582    H    GLY  76           H        GLY  76 -13.150  -1.404  -4.513
  583   1HA   GLY  76          1HA       GLY  76 -14.032  -4.195  -4.042
  584   2HA   GLY  76          2HA       GLY  76 -12.791  -3.624  -5.160
  585    H    LEU  77           H        LEU  77 -11.897  -1.840  -2.704
  586    HA   LEU  77           HA       LEU  77  -9.932  -3.663  -1.539
  587   1HB   LEU  77          1HB       LEU  77  -9.625  -1.168  -1.948
  588   2HB   LEU  77          2HB       LEU  77 -10.846  -0.844  -0.746
  589    HG   LEU  77           HG       LEU  77  -8.047  -1.888  -0.364
  590   1HD1  LEU  77          2HD1      LEU  77  -8.427   0.562  -0.534
  591   2HD1  LEU  77          3HD1      LEU  77  -9.603   0.471   0.774
  592   3HD1  LEU  77          1HD1      LEU  77  -7.910   0.125   1.109
  593   1HD2  LEU  77          2HD2      LEU  77 -10.179  -1.843   1.808
  594   2HD2  LEU  77          3HD2      LEU  77  -9.193  -3.233   1.278
  595   3HD2  LEU  77          1HD2      LEU  77  -8.431  -1.897   2.112
  596    H    ASP  78           H        ASP  78 -12.948  -2.010  -0.666
  597    HA   ASP  78           HA       ASP  78 -12.946  -2.429   2.035
  598   1HB   ASP  78          1HB       ASP  78 -14.546  -1.150   0.310
  599   2HB   ASP  78          2HB       ASP  78 -15.630  -2.466   0.742
  600    HA   PRO  79           HA       PRO  79 -15.417  -6.475   1.920
  601   1HB   PRO  79          1HB       PRO  79 -15.437  -8.118  -0.263
  602   2HB   PRO  79          2HB       PRO  79 -16.625  -6.814   0.008
  603   1HG   PRO  79          1HG       PRO  79 -14.093  -6.695  -1.666
  604   2HG   PRO  79          2HG       PRO  79 -15.754  -6.184  -2.131
  605   1HD   PRO  79          1HD       PRO  79 -13.968  -4.396  -1.256
  606   2HD   PRO  79          2HD       PRO  79 -15.670  -4.291  -0.727
  607    H    LEU  80           H        LEU  80 -12.196  -6.088   0.715
  608    HA   LEU  80           HA       LEU  80 -11.315  -8.762   1.637
  609   1HB   LEU  80          1HB       LEU  80  -9.803  -6.357   0.566
  610   2HB   LEU  80          2HB       LEU  80  -9.049  -7.846   1.100
  611    HG   LEU  80           HG       LEU  80 -11.134  -7.898  -1.095
  612   1HD1  LEU  80          1HD1      LEU  80  -8.148  -7.414  -1.394
  613   2HD1  LEU  80          2HD1      LEU  80  -9.279  -7.786  -2.719
  614   3HD1  LEU  80          3HD1      LEU  80  -9.471  -6.286  -1.792
  615   1HD2  LEU  80          1HD2      LEU  80  -8.821  -9.733  -0.284
  616   2HD2  LEU  80          2HD2      LEU  80 -10.555 -10.072  -0.118
  617   3HD2  LEU  80          3HD2      LEU  80  -9.829  -9.960  -1.726
  618    H    LEU  81           H        LEU  81 -12.156  -5.792   3.078
  619    HA   LEU  81           HA       LEU  81 -10.171  -5.953   5.220
  620   1HB   LEU  81          1HB       LEU  81 -11.512  -3.865   4.163
  621   2HB   LEU  81          2HB       LEU  81 -12.658  -4.276   5.413
  622    HG   LEU  81           HG       LEU  81 -11.143  -2.473   6.046
  623   1HD1  LEU  81          1HD1      LEU  81 -11.902  -3.970   7.881
  624   2HD1  LEU  81          2HD1      LEU  81 -10.357  -4.848   7.755
  625   3HD1  LEU  81          3HD1      LEU  81 -10.390  -3.122   8.209
  626   1HD2  LEU  81          2HD2      LEU  81  -9.218  -3.187   4.670
  627   2HD2  LEU  81          3HD2      LEU  81  -8.760  -2.719   6.321
  628   3HD2  LEU  81          1HD2      LEU  81  -8.819  -4.429   5.877
  629    H    LYS  82           H        LYS  82 -11.939  -8.320   4.599
  630    HA   LYS  82           HA       LYS  82 -12.914  -8.824   7.314
  631   1HB   LYS  82          1HB       LYS  82 -14.766  -8.224   5.559
  632   2HB   LYS  82          2HB       LYS  82 -14.422  -9.800   4.855
  633   1HG   LYS  82          1HG       LYS  82 -14.957  -9.637   7.821
  634   2HG   LYS  82          2HG       LYS  82 -16.308  -9.285   6.758
  635   1HD   LYS  82          1HD       LYS  82 -14.697 -11.825   6.472
  636   2HD   LYS  82          2HD       LYS  82 -16.075 -11.677   7.572
  637   1HE   LYS  82          1HE       LYS  82 -17.534 -11.069   5.698
  638   2HE   LYS  82          2HE       LYS  82 -16.183 -11.164   4.563
  639   1HZ   LYS  82          2HZ       LYS  82 -17.140 -13.451   6.184
  640   2HZ   LYS  82          3HZ       LYS  82 -17.582 -13.166   4.616
  641   3HZ   LYS  82          1HZ       LYS  82 -16.015 -13.497   4.987
  642   1HB2  GTT  83          1HB2      GTT  83   9.048   8.129  -3.484
  643   2HB2  GTT  83          2HB2      GTT  83   9.365   9.526  -4.483
  644    HA2  GTT  83           HA2      GTT  83   8.910   8.490  -6.412
  645    HN2  GTT  83           HN2      GTT  83   7.022   6.491  -5.382
  646   1HG1  GTT  83          1HG1      GTT  83   4.538   7.026  -7.207
  647   2HG1  GTT  83          2HG1      GTT  83   5.702   5.725  -6.944
  648   1HB1  GTT  83          1HB1      GTT  83   6.688   6.415  -9.227
  649   2HB1  GTT  83          2HB1      GTT  83   5.237   7.397  -9.439
  650    HA1  GTT  83           HA1      GTT  83   5.469   4.371  -9.191
  651   1HN1  GTT  83          1HN1      GTT  83   4.432   6.203 -11.218
  652   2HN1  GTT  83          2HN1      GTT  83   5.647   5.090 -11.382
  653   3HN1  GTT  83          3HN1      GTT  83   4.065   4.618 -11.216
  654    HN3  GTT  83           HN3      GTT  83  11.158   7.811  -5.234
  655   1HA3  GTT  83          1HA3      GTT  83  11.262   5.127  -4.193
  656   2HA3  GTT  83          2HA3      GTT  83  12.000   5.261  -5.808
   
  No H/Q in entry =         656
  Start of MODEL   18
    1   1H    ALA   1          3H        ALA   1  -7.081  -8.901   8.529
    2   2H    ALA   1          1H        ALA   1  -7.291  -7.535   9.430
    3   3H    ALA   1          2H        ALA   1  -8.603  -8.288   8.752
    4    HA   ALA   1           HA       ALA   1  -7.770  -7.838   6.568
    5   1HB   ALA   1          2HB       ALA   1  -9.360  -6.247   7.560
    6   2HB   ALA   1          3HB       ALA   1  -8.014  -5.328   8.266
    7   3HB   ALA   1          1HB       ALA   1  -8.167  -5.451   6.507
    8    H    ASN   2           H        ASN   2  -5.828  -8.242   5.740
    9    HA   ASN   2           HA       ASN   2  -3.386  -7.076   7.015
   10   1HB   ASN   2          1HB       ASN   2  -3.674  -9.562   6.842
   11   2HB   ASN   2          2HB       ASN   2  -3.732  -9.421   5.093
   12   1HD2  ASN   2          2HD2      ASN   2  -0.182  -8.751   4.702
   13   2HD2  ASN   2          1HD2      ASN   2  -1.748  -8.279   4.118
   14    H    VAL   3           H        VAL   3  -4.521  -5.159   5.953
   15    HA   VAL   3           HA       VAL   3  -4.024  -4.700   3.088
   16    HB   VAL   3           HB       VAL   3  -5.123  -2.944   5.318
   17   1HG1  VAL   3          2HG1      VAL   3  -5.097  -2.389   2.319
   18   2HG1  VAL   3          3HG1      VAL   3  -5.928  -1.417   3.550
   19   3HG1  VAL   3          1HG1      VAL   3  -4.167  -1.518   3.547
   20   1HG2  VAL   3          2HG2      VAL   3  -6.647  -4.837   4.728
   21   2HG2  VAL   3          3HG2      VAL   3  -7.312  -3.232   4.425
   22   3HG2  VAL   3          1HG2      VAL   3  -6.720  -4.200   3.073
   23    H    GLU   4           H        GLU   4  -1.653  -4.952   3.120
   24    HA   GLU   4           HA       GLU   4  -0.166  -3.333   5.142
   25   1HB   GLU   4          1HB       GLU   4   0.837  -5.198   2.960
   26   2HB   GLU   4          2HB       GLU   4   1.845  -4.279   4.042
   27   1HG   GLU   4          1HG       GLU   4   1.185  -5.555   5.950
   28   2HG   GLU   4          2HG       GLU   4  -0.187  -6.269   5.098
   29    H    ILE   5           H        ILE   5   0.972  -1.491   4.507
   30    HA   ILE   5           HA       ILE   5   0.989  -0.805   1.647
   31    HB   ILE   5           HB       ILE   5  -0.827   0.472   2.365
   32   1HG1  ILE   5          1HG1      ILE   5   1.588   2.328   2.398
   33   2HG1  ILE   5          2HG1      ILE   5   1.020   1.533   0.950
   34   1HG2  ILE   5          2HG2      ILE   5  -0.373   0.387   4.865
   35   2HG2  ILE   5          3HG2      ILE   5   0.772   1.718   4.622
   36   3HG2  ILE   5          1HG2      ILE   5  -0.957   1.927   4.250
   37   1HD1  ILE   5          1HD1      ILE   5  -0.645   3.461   2.604
   38   2HD1  ILE   5          2HD1      ILE   5   0.256   3.885   1.147
   39   3HD1  ILE   5          3HD1      ILE   5  -1.097   2.743   1.047
   40    H    TYR   6           H        TYR   6   2.978  -0.669   1.043
   41    HA   TYR   6           HA       TYR   6   5.204  -0.245   2.924
   42   1HB   TYR   6          1HB       TYR   6   4.966  -0.861  -0.023
   43   2HB   TYR   6          2HB       TYR   6   6.447  -0.167   0.626
   44    HD1  TYR   6           HD1      TYR   6   7.818  -1.286   2.238
   45    HD2  TYR   6           HD2      TYR   6   4.296  -3.173   0.700
   46    HE1  TYR   6           HE1      TYR   6   8.620  -3.462   3.141
   47    HE2  TYR   6           HE2      TYR   6   5.074  -5.373   1.572
   48    HH   TYR   6           HH       TYR   6   6.546  -6.324   3.223
   49    H    THR   7           H        THR   7   6.298   1.606   3.169
   50    HA   THR   7           HA       THR   7   5.410   4.090   1.827
   51    HB   THR   7           HB       THR   7   5.136   5.047   4.151
   52    HG1  THR   7           HG1      THR   7   5.550   2.337   4.832
   53   1HG2  THR   7          3HG2      THR   7   3.115   4.147   2.838
   54   2HG2  THR   7          1HG2      THR   7   3.215   2.727   3.897
   55   3HG2  THR   7          2HG2      THR   7   2.947   4.329   4.595
   56    H    LYS   8           H        LYS   8   6.921   5.938   2.514
   57    HA   LYS   8           HA       LYS   8   9.262   5.136   3.972
   58   1HB   LYS   8          1HB       LYS   8  10.942   5.830   2.538
   59   2HB   LYS   8          2HB       LYS   8   9.976   4.704   1.609
   60   1HG   LYS   8          1HG       LYS   8   8.996   6.599   0.341
   61   2HG   LYS   8          2HG       LYS   8   9.870   7.748   1.369
   62   1HD   LYS   8          1HD       LYS   8  11.207   7.597  -0.560
   63   2HD   LYS   8          2HD       LYS   8  12.039   6.612   0.644
   64   1HE   LYS   8          1HE       LYS   8  10.680   4.620  -0.392
   65   2HE   LYS   8          2HE       LYS   8  10.370   5.725  -1.744
   66   1HZ   LYS   8          1HZ       LYS   8  12.788   5.880  -2.030
   67   2HZ   LYS   8          2HZ       LYS   8  13.001   4.796  -0.776
   68   3HZ   LYS   8          3HZ       LYS   8  12.248   4.345  -2.158
   69    H    GLU   9           H        GLU   9  10.501   7.402   4.432
   70    HA   GLU   9           HA       GLU   9   8.463   9.185   5.416
   71   1HB   GLU   9          1HB       GLU   9  10.667   8.688   6.590
   72   2HB   GLU   9          2HB       GLU   9  11.494   9.594   5.330
   73   1HG   GLU   9          1HG       GLU   9  11.109  10.994   7.312
   74   2HG   GLU   9          2HG       GLU   9  10.267  11.635   5.903
   75    H    THR  10           H        THR  10  11.183   9.518   3.101
   76    HA   THR  10           HA       THR  10  10.155  12.081   2.228
   77    HB   THR  10           HB       THR  10  12.499  11.670   2.646
   78    HG1  THR  10           HG1      THR  10  12.970  12.503   0.269
   79   1HG2  THR  10          1HG2      THR  10  12.805   9.389   1.687
   80   2HG2  THR  10          2HG2      THR  10  12.699  10.092   0.057
   81   3HG2  THR  10          3HG2      THR  10  13.998  10.581   1.151
   82    H    CYS  11           H        CYS  11   8.071  10.954   1.708
   83    HA   CYS  11           HA       CYS  11   7.839  10.884  -1.187
   84   1HB   CYS  11          1HB       CYS  11   8.390   8.545  -0.750
   85   2HB   CYS  11          2HB       CYS  11   7.125   8.447   0.482
   86    HA   PRO  12           HA       PRO  12   4.260  12.815   0.952
   87   1HB   PRO  12          1HB       PRO  12   3.494  14.425  -1.115
   88   2HB   PRO  12          2HB       PRO  12   4.717  14.881   0.111
   89   1HG   PRO  12          1HG       PRO  12   5.194  13.775  -2.667
   90   2HG   PRO  12          2HG       PRO  12   6.049  15.123  -1.860
   91   1HD   PRO  12          1HD       PRO  12   7.112  12.635  -1.932
   92   2HD   PRO  12          2HD       PRO  12   7.291  13.614  -0.474
   93    H    TYR  13           H        TYR  13   4.454  11.484  -2.394
   94    HA   TYR  13           HA       TYR  13   1.716  10.868  -2.823
   95   1HB   TYR  13          1HB       TYR  13   3.746  10.817  -4.372
   96   2HB   TYR  13          2HB       TYR  13   4.204   9.314  -3.609
   97    HD1  TYR  13           HD2      TYR  13   1.212  10.856  -5.364
   98    HD2  TYR  13           HD1      TYR  13   3.716   7.393  -4.760
   99    HE1  TYR  13           HE2      TYR  13   0.048   9.702  -7.207
  100    HE2  TYR  13           HE1      TYR  13   2.477   6.189  -6.520
  101    HH   TYR  13           HH       TYR  13  -0.347   7.545  -8.190
  102    H    SER  14           H        SER  14   4.141   9.158  -0.815
  103    HA   SER  14           HA       SER  14   2.470   6.878  -0.168
  104   1HB   SER  14          1HB       SER  14   4.918   6.862   0.110
  105   2HB   SER  14          2HB       SER  14   4.806   8.135   1.341
  106    HG   SER  14           HG       SER  14   3.827   6.727   2.690
  107    H    HIS  15           H        HIS  15   3.006  10.136   1.366
  108    HA   HIS  15           HA       HIS  15   1.178   9.415   3.515
  109   1HB   HIS  15          1HB       HIS  15   2.675  11.907   2.767
  110   2HB   HIS  15          2HB       HIS  15   1.381  11.949   3.960
  111    HD1  HIS  15           HD1      HIS  15   1.727  10.402   6.244
  112    HD2  HIS  15           HD2      HIS  15   4.961  10.522   3.483
  113    HE1  HIS  15           HE1      HIS  15   3.747   9.375   7.412
  114    HE2  HIS  15           HE2      HIS  15   5.672   9.419   5.817
  115    H    ARG  16           H        ARG  16   0.821  10.993   0.401
  116    HA   ARG  16           HA       ARG  16  -1.889  11.821   0.665
  117   1HB   ARG  16          1HB       ARG  16  -0.127  10.983  -1.679
  118   2HB   ARG  16          2HB       ARG  16  -1.805  11.415  -1.901
  119   1HG   ARG  16          1HG       ARG  16  -1.318  13.557  -0.607
  120   2HG   ARG  16          2HG       ARG  16   0.391  13.215  -0.788
  121   1HD   ARG  16          1HD       ARG  16  -1.186  13.025  -3.311
  122   2HD   ARG  16          2HD       ARG  16  -1.242  14.603  -2.549
  123    HE   ARG  16           HE       ARG  16   0.965  13.415  -3.970
  124   1HH1  ARG  16          2HH2      ARG  16   0.155  15.958  -1.554
  125   2HH1  ARG  16          1HH2      ARG  16   1.441  16.982  -2.161
  126   1HH2  ARG  16          2HH1      ARG  16   2.570  14.760  -4.580
  127   2HH2  ARG  16          1HH1      ARG  16   2.835  16.311  -3.791
  128    H    ALA  17           H        ALA  17  -0.524   8.622  -0.410
  129    HA   ALA  17           HA       ALA  17  -3.069   7.398  -0.580
  130   1HB   ALA  17          2HB       ALA  17  -0.975   6.424  -1.493
  131   2HB   ALA  17          3HB       ALA  17  -0.433   6.072   0.164
  132   3HB   ALA  17          1HB       ALA  17  -1.878   5.276  -0.489
  133    H    LYS  18           H        LYS  18  -1.280   8.292   2.257
  134    HA   LYS  18           HA       LYS  18  -2.848   6.505   4.007
  135   1HB   LYS  18          1HB       LYS  18  -1.245   8.950   4.879
  136   2HB   LYS  18          2HB       LYS  18  -1.854   7.657   5.885
  137   1HG   LYS  18          1HG       LYS  18   0.410   7.604   3.900
  138   2HG   LYS  18          2HG       LYS  18   0.466   7.256   5.605
  139   1HD   LYS  18          1HD       LYS  18  -0.582   5.563   3.309
  140   2HD   LYS  18          2HD       LYS  18   0.784   5.234   4.343
  141   1HE   LYS  18          1HE       LYS  18  -2.170   4.937   4.975
  142   2HE   LYS  18          2HE       LYS  18  -0.861   3.762   5.142
  143   1HZ   LYS  18          1HZ       LYS  18   0.020   5.262   6.920
  144   2HZ   LYS  18          2HZ       LYS  18  -1.336   6.108   6.887
  145   3HZ   LYS  18          3HZ       LYS  18  -1.406   4.526   7.298
  146    H    ALA  19           H        ALA  19  -2.896  10.011   3.182
  147    HA   ALA  19           HA       ALA  19  -5.267  10.590   4.631
  148   1HB   ALA  19          3HB       ALA  19  -3.790  12.278   3.433
  149   2HB   ALA  19          1HB       ALA  19  -4.481  11.711   1.903
  150   3HB   ALA  19          2HB       ALA  19  -5.529  12.471   3.111
  151    H    LEU  20           H        LEU  20  -4.846   9.068   1.444
  152    HA   LEU  20           HA       LEU  20  -7.644   8.782   0.923
  153   1HB   LEU  20          1HB       LEU  20  -5.840   8.477  -0.740
  154   2HB   LEU  20          2HB       LEU  20  -5.279   7.045   0.062
  155    HG   LEU  20           HG       LEU  20  -6.994   7.217  -2.124
  156   1HD1  LEU  20          2HD1      LEU  20  -5.497   5.307  -1.626
  157   2HD1  LEU  20          3HD1      LEU  20  -6.592   4.795  -0.319
  158   3HD1  LEU  20          1HD1      LEU  20  -7.136   4.772  -2.005
  159   1HD2  LEU  20          2HD2      LEU  20  -8.936   7.624  -0.602
  160   2HD2  LEU  20          3HD2      LEU  20  -9.024   6.161  -1.615
  161   3HD2  LEU  20          1HD2      LEU  20  -8.601   6.012   0.096
  162    H    LEU  21           H        LEU  21  -5.404   6.289   2.290
  163    HA   LEU  21           HA       LEU  21  -7.477   4.457   2.873
  164   1HB   LEU  21          1HB       LEU  21  -4.777   4.870   4.180
  165   2HB   LEU  21          2HB       LEU  21  -5.855   3.545   4.630
  166    HG   LEU  21           HG       LEU  21  -5.171   3.878   1.701
  167   1HD1  LEU  21          1HD1      LEU  21  -3.388   2.553   3.765
  168   2HD1  LEU  21          2HD1      LEU  21  -3.215   2.458   1.991
  169   3HD1  LEU  21          3HD1      LEU  21  -3.021   4.016   2.807
  170   1HD2  LEU  21          1HD2      LEU  21  -5.840   1.527   3.538
  171   2HD2  LEU  21          2HD2      LEU  21  -6.793   2.179   2.179
  172   3HD2  LEU  21          3HD2      LEU  21  -5.275   1.328   1.880
  173    H    SER  22           H        SER  22  -6.318   7.172   4.965
  174    HA   SER  22           HA       SER  22  -8.084   6.356   7.118
  175   1HB   SER  22          1HB       SER  22  -6.432   8.872   6.606
  176   2HB   SER  22          2HB       SER  22  -7.349   8.555   8.092
  177    HG   SER  22           HG       SER  22  -6.168   6.624   8.346
  178    H    SER  23           H        SER  23  -8.388   8.677   4.322
  179    HA   SER  23           HA       SER  23 -10.851   9.802   5.251
  180   1HB   SER  23          1HB       SER  23  -9.457  10.787   3.539
  181   2HB   SER  23          2HB       SER  23  -9.637   9.371   2.493
  182    HG   SER  23           HG       SER  23 -11.933  10.820   3.305
  183    H    LYS  24           H        LYS  24 -10.052   6.832   3.419
  184    HA   LYS  24           HA       LYS  24 -12.834   5.948   3.168
  185   1HB   LYS  24          1HB       LYS  24 -10.186   4.467   2.998
  186   2HB   LYS  24          2HB       LYS  24 -11.747   3.786   2.508
  187   1HG   LYS  24          1HG       LYS  24 -10.457   6.260   1.284
  188   2HG   LYS  24          2HG       LYS  24 -10.258   4.618   0.658
  189   1HD   LYS  24          1HD       LYS  24 -12.506   4.477   0.012
  190   2HD   LYS  24          2HD       LYS  24 -12.974   5.934   0.921
  191   1HE   LYS  24          1HE       LYS  24 -11.750   7.385  -0.531
  192   2HE   LYS  24          2HE       LYS  24 -10.936   5.996  -1.292
  193   1HZ   LYS  24          3HZ       LYS  24 -13.835   6.370  -1.469
  194   2HZ   LYS  24          1HZ       LYS  24 -12.796   6.920  -2.597
  195   3HZ   LYS  24          2HZ       LYS  24 -12.851   5.280  -2.250
  196    H    GLY  25           H        GLY  25 -10.238   5.572   5.531
  197   1HA   GLY  25          1HA       GLY  25 -10.278   4.986   7.733
  198   2HA   GLY  25          2HA       GLY  25 -12.036   4.802   7.652
  199    H    VAL  26           H        VAL  26  -9.027   3.213   6.348
  200    HA   VAL  26           HA       VAL  26 -10.290   0.579   6.894
  201    HB   VAL  26           HB       VAL  26  -8.529   0.088   4.897
  202   1HG1  VAL  26          3HG1      VAL  26 -10.972  -0.576   5.051
  203   2HG1  VAL  26          1HG1      VAL  26 -11.411   1.029   4.455
  204   3HG1  VAL  26          2HG1      VAL  26 -10.501  -0.087   3.415
  205   1HG2  VAL  26          3HG2      VAL  26  -7.965   2.391   4.428
  206   2HG2  VAL  26          1HG2      VAL  26  -8.794   1.616   3.056
  207   3HG2  VAL  26          2HG2      VAL  26  -9.676   2.740   4.088
  208    H    SER  27           H        SER  27  -9.068  -1.017   7.744
  209    HA   SER  27           HA       SER  27  -7.027  -0.248   9.509
  210   1HB   SER  27          1HB       SER  27  -7.922  -3.054   8.736
  211   2HB   SER  27          2HB       SER  27  -7.255  -2.513  10.287
  212    HG   SER  27           HG       SER  27  -9.186  -1.026  10.265
  213    H    PHE  28           H        PHE  28  -5.461   0.590   7.841
  214    HA   PHE  28           HA       PHE  28  -4.004  -1.355   6.266
  215   1HB   PHE  28          1HB       PHE  28  -2.555   0.492   5.671
  216   2HB   PHE  28          2HB       PHE  28  -4.240   0.935   5.496
  217    HD1  PHE  28           HD2      PHE  28  -1.237   1.333   7.714
  218    HD2  PHE  28           HD1      PHE  28  -5.167   2.816   6.708
  219    HE1  PHE  28           HE2      PHE  28  -0.926   3.228   9.261
  220    HE2  PHE  28           HE1      PHE  28  -4.807   4.754   8.186
  221    HZ   PHE  28           HZ       PHE  28  -2.708   4.961   9.503
  222    H    GLN  29           H        GLN  29  -1.712  -1.757   6.500
  223    HA   GLN  29           HA       GLN  29  -0.589  -1.739   9.223
  224   1HB   GLN  29          1HB       GLN  29  -0.995  -3.932   7.245
  225   2HB   GLN  29          2HB       GLN  29   0.683  -3.757   7.750
  226   1HG   GLN  29          1HG       GLN  29   0.021  -3.872  10.110
  227   2HG   GLN  29          2HG       GLN  29  -1.671  -4.078   9.625
  228   1HE2  GLN  29          2HE2      GLN  29   0.917  -7.251   9.559
  229   2HE2  GLN  29          1HE2      GLN  29   1.514  -5.636   9.864
  230    H    GLU  30           H        GLU  30   0.620   0.108   8.971
  231    HA   GLU  30           HA       GLU  30   1.869   0.796   6.436
  232   1HB   GLU  30          1HB       GLU  30   1.288   2.147   8.838
  233   2HB   GLU  30          2HB       GLU  30   3.076   2.059   8.791
  234   1HG   GLU  30          1HG       GLU  30   3.274   3.242   6.825
  235   2HG   GLU  30          2HG       GLU  30   1.608   2.932   6.331
  236    H    LEU  31           H        LEU  31   3.850   0.379   5.727
  237    HA   LEU  31           HA       LEU  31   5.738  -1.198   7.415
  238   1HB   LEU  31          1HB       LEU  31   5.364  -1.672   4.485
  239   2HB   LEU  31          2HB       LEU  31   6.318  -2.570   5.648
  240    HG   LEU  31           HG       LEU  31   3.275  -2.461   5.395
  241   1HD1  LEU  31          1HD1      LEU  31   5.458  -4.504   4.918
  242   2HD1  LEU  31          2HD1      LEU  31   3.738  -4.900   4.918
  243   3HD1  LEU  31          3HD1      LEU  31   4.354  -3.722   3.743
  244   1HD2  LEU  31          2HD2      LEU  31   4.864  -4.162   7.363
  245   2HD2  LEU  31          3HD2      LEU  31   3.749  -2.832   7.796
  246   3HD2  LEU  31          1HD2      LEU  31   3.119  -4.274   7.007
  247    HA   PRO  32           HA       PRO  32   8.035   2.430   5.776
  248   1HB   PRO  32          1HB       PRO  32   9.862   2.579   7.830
  249   2HB   PRO  32          2HB       PRO  32   8.227   3.269   7.852
  250   1HG   PRO  32          1HG       PRO  32   9.243   0.829   9.240
  251   2HG   PRO  32          2HG       PRO  32   7.893   1.913   9.686
  252   1HD   PRO  32          1HD       PRO  32   7.764  -0.623   8.365
  253   2HD   PRO  32          2HD       PRO  32   6.382   0.475   8.583
  254    H    ILE  33           H        ILE  33   9.385   2.168   4.173
  255    HA   ILE  33           HA       ILE  33  11.778   0.382   4.363
  256    HB   ILE  33           HB       ILE  33  11.808   0.633   1.873
  257   1HG1  ILE  33          1HG1      ILE  33   8.840   1.099   1.902
  258   2HG1  ILE  33          2HG1      ILE  33   9.964   2.461   1.919
  259   1HG2  ILE  33          3HG2      ILE  33   9.722  -0.992   3.315
  260   2HG2  ILE  33          1HG2      ILE  33  10.110  -1.225   1.581
  261   3HG2  ILE  33          2HG2      ILE  33  11.363  -1.450   2.806
  262   1HD1  ILE  33          3HD1      ILE  33  11.119   1.466  -0.092
  263   2HD1  ILE  33          1HD1      ILE  33   9.726   0.349  -0.222
  264   3HD1  ILE  33          2HD1      ILE  33   9.522   2.108  -0.351
  265    H    ASP  34           H        ASP  34  11.433   3.192   5.528
  266    HA   ASP  34           HA       ASP  34  12.610   4.900   3.522
  267   1HB   ASP  34          1HB       ASP  34  11.099   5.740   5.363
  268   2HB   ASP  34          2HB       ASP  34  12.428   5.491   6.506
  269    H    GLY  35           H        GLY  35  13.828   3.516   6.572
  270   1HA   GLY  35          1HA       GLY  35  16.652   3.832   5.642
  271   2HA   GLY  35          2HA       GLY  35  16.119   3.618   7.312
  272    H    ASN  36           H        ASN  36  14.480   1.712   4.956
  273    HA   ASN  36           HA       ASN  36  15.939  -0.768   5.750
  274   1HB   ASN  36          1HB       ASN  36  14.127  -0.988   7.123
  275   2HB   ASN  36          2HB       ASN  36  13.073  -0.011   6.111
  276   1HD2  ASN  36          2HD2      ASN  36  11.548  -2.803   4.689
  277   2HD2  ASN  36          1HD2      ASN  36  11.341  -1.350   5.646
  278    H    ALA  37           H        ALA  37  16.996  -1.117   3.870
  279    HA   ALA  37           HA       ALA  37  15.456  -1.089   1.357
  280   1HB   ALA  37          2HB       ALA  37  17.688  -0.018   1.386
  281   2HB   ALA  37          3HB       ALA  37  18.416  -1.588   1.814
  282   3HB   ALA  37          1HB       ALA  37  17.586  -1.379   0.256
  283    H    ALA  38           H        ALA  38  16.644  -3.344   3.727
  284    HA   ALA  38           HA       ALA  38  16.869  -5.603   1.975
  285   1HB   ALA  38          3HB       ALA  38  17.894  -5.624   4.207
  286   2HB   ALA  38          1HB       ALA  38  16.282  -5.661   4.958
  287   3HB   ALA  38          2HB       ALA  38  16.833  -7.018   3.967
  288    H    LYS  39           H        LYS  39  14.093  -4.656   4.142
  289    HA   LYS  39           HA       LYS  39  12.466  -6.701   2.870
  290   1HB   LYS  39          1HB       LYS  39  12.166  -5.585   5.252
  291   2HB   LYS  39          2HB       LYS  39  11.127  -4.471   4.347
  292   1HG   LYS  39          1HG       LYS  39   9.780  -6.344   3.520
  293   2HG   LYS  39          2HG       LYS  39  10.893  -7.510   4.229
  294   1HD   LYS  39          1HD       LYS  39   8.883  -7.356   5.571
  295   2HD   LYS  39          2HD       LYS  39  10.295  -6.815   6.489
  296   1HE   LYS  39          1HE       LYS  39   9.674  -4.456   6.053
  297   2HE   LYS  39          2HE       LYS  39   8.250  -4.990   5.135
  298   1HZ   LYS  39          3HZ       LYS  39   8.703  -5.720   7.957
  299   2HZ   LYS  39          1HZ       LYS  39   7.913  -4.355   7.536
  300   3HZ   LYS  39          2HZ       LYS  39   7.302  -5.843   7.117
  301    H    ARG  40           H        ARG  40  13.312  -3.370   2.048
  302    HA   ARG  40           HA       ARG  40  11.172  -3.006   0.168
  303   1HB   ARG  40          1HB       ARG  40  12.846  -1.178   0.799
  304   2HB   ARG  40          2HB       ARG  40  14.030  -2.012  -0.222
  305   1HG   ARG  40          1HG       ARG  40  12.412  -1.875  -2.132
  306   2HG   ARG  40          2HG       ARG  40  11.332  -0.958  -1.096
  307   1HD   ARG  40          1HD       ARG  40  12.572   0.459  -2.668
  308   2HD   ARG  40          2HD       ARG  40  12.937   0.887  -0.994
  309    HE   ARG  40           HE       ARG  40  14.890  -0.978  -1.964
  310   1HH1  ARG  40          2HH2      ARG  40  13.880   2.357  -2.468
  311   2HH1  ARG  40          1HH2      ARG  40  15.459   2.994  -2.739
  312   1HH2  ARG  40          2HH1      ARG  40  17.034  -0.209  -2.396
  313   2HH2  ARG  40          1HH1      ARG  40  17.303   1.490  -2.651
  314    H    GLU  41           H        GLU  41  14.439  -4.571  -0.173
  315    HA   GLU  41           HA       GLU  41  14.030  -5.398  -2.852
  316   1HB   GLU  41          1HB       GLU  41  15.772  -6.444  -0.621
  317   2HB   GLU  41          2HB       GLU  41  15.812  -7.141  -2.239
  318   1HG   GLU  41          1HG       GLU  41  16.353  -4.210  -1.599
  319   2HG   GLU  41          2HG       GLU  41  17.595  -5.449  -1.728
  320    H    GLU  42           H        GLU  42  13.065  -6.888   0.214
  321    HA   GLU  42           HA       GLU  42  12.289  -9.409  -0.844
  322   1HB   GLU  42          1HB       GLU  42  12.663  -8.762   1.603
  323   2HB   GLU  42          2HB       GLU  42  11.134  -7.892   1.535
  324   1HG   GLU  42          1HG       GLU  42  10.559  -9.895   2.555
  325   2HG   GLU  42          2HG       GLU  42  10.037 -10.138   0.880
  326    H    MET  43           H        MET  43  10.459  -6.382  -0.303
  327    HA   MET  43           HA       MET  43   8.010  -7.226  -1.554
  328   1HB   MET  43          1HB       MET  43   8.148  -5.237  -0.060
  329   2HB   MET  43          2HB       MET  43   9.309  -4.482  -1.138
  330   1HG   MET  43          1HG       MET  43   7.383  -4.665  -2.939
  331   2HG   MET  43          2HG       MET  43   6.359  -4.896  -1.534
  332   1HE   MET  43          2HE       MET  43   8.770  -2.577  -3.535
  333   2HE   MET  43          3HE       MET  43   8.708  -1.037  -2.651
  334   3HE   MET  43          1HE       MET  43   9.571  -2.427  -1.959
  335    H    ILE  44           H        ILE  44  10.932  -5.551  -2.923
  336    HA   ILE  44           HA       ILE  44   9.964  -5.008  -5.469
  337    HB   ILE  44           HB       ILE  44  12.706  -5.714  -4.465
  338   1HG1  ILE  44          1HG1      ILE  44  11.637  -3.255  -5.808
  339   2HG1  ILE  44          2HG1      ILE  44  11.341  -3.485  -4.096
  340   1HG2  ILE  44          2HG2      ILE  44  12.020  -4.992  -7.353
  341   2HG2  ILE  44          3HG2      ILE  44  13.656  -5.033  -6.665
  342   3HG2  ILE  44          1HG2      ILE  44  12.734  -6.520  -6.807
  343   1HD1  ILE  44          2HD1      ILE  44  14.091  -3.258  -5.370
  344   2HD1  ILE  44          3HD1      ILE  44  13.246  -1.988  -4.476
  345   3HD1  ILE  44          1HD1      ILE  44  13.767  -3.450  -3.635
  346    H    LYS  45           H        LYS  45  11.226  -8.141  -4.225
  347    HA   LYS  45           HA       LYS  45  10.798  -9.707  -6.611
  348   1HB   LYS  45          1HB       LYS  45  11.255 -10.215  -3.712
  349   2HB   LYS  45          2HB       LYS  45  10.171 -11.381  -4.459
  350   1HG   LYS  45          1HG       LYS  45  12.337 -12.286  -4.526
  351   2HG   LYS  45          2HG       LYS  45  11.870 -11.877  -6.182
  352   1HD   LYS  45          1HD       LYS  45  13.233  -9.816  -6.036
  353   2HD   LYS  45          2HD       LYS  45  13.704 -10.232  -4.370
  354   1HE   LYS  45          1HE       LYS  45  14.806 -12.264  -5.101
  355   2HE   LYS  45          2HE       LYS  45  14.149 -12.098  -6.732
  356   1HZ   LYS  45          3HZ       LYS  45  15.491 -10.092  -6.993
  357   2HZ   LYS  45          1HZ       LYS  45  16.178 -10.354  -5.503
  358   3HZ   LYS  45          2HZ       LYS  45  16.386 -11.446  -6.720
  359    H    ARG  46           H        ARG  46   8.681  -9.342  -3.717
  360    HA   ARG  46           HA       ARG  46   6.664 -10.829  -5.033
  361   1HB   ARG  46          1HB       ARG  46   5.743 -11.158  -3.100
  362   2HB   ARG  46          2HB       ARG  46   7.270 -10.546  -2.479
  363   1HG   ARG  46          1HG       ARG  46   6.088  -8.283  -2.229
  364   2HG   ARG  46          2HG       ARG  46   4.613  -9.156  -2.704
  365   1HD   ARG  46          1HD       ARG  46   5.461 -10.824  -0.756
  366   2HD   ARG  46          2HD       ARG  46   6.176  -9.327  -0.168
  367    HE   ARG  46           HE       ARG  46   3.278  -9.750  -0.806
  368   1HH1  ARG  46          2HH2      ARG  46   5.700  -8.576   1.529
  369   2HH1  ARG  46          1HH2      ARG  46   4.546  -7.960   2.629
  370   1HH2  ARG  46          2HH1      ARG  46   1.763  -9.067   0.668
  371   2HH2  ARG  46          1HH1      ARG  46   2.173  -8.316   2.172
  372    H    SER  47           H        SER  47   7.247  -7.474  -5.341
  373    HA   SER  47           HA       SER  47   4.502  -7.040  -6.416
  374   1HB   SER  47          1HB       SER  47   5.121  -4.688  -6.251
  375   2HB   SER  47          2HB       SER  47   5.245  -5.481  -4.668
  376    HG   SER  47           HG       SER  47   7.055  -4.236  -4.984
  377    H    GLY  48           H        GLY  48   7.925  -7.180  -7.369
  378   1HA   GLY  48          1HA       GLY  48   8.907  -6.986  -9.395
  379   2HA   GLY  48          2HA       GLY  48   7.337  -6.747 -10.173
  380    H    ARG  49           H        ARG  49   7.889  -4.584  -7.447
  381    HA   ARG  49           HA       ARG  49   8.794  -2.428  -9.295
  382   1HB   ARG  49          1HB       ARG  49   6.266  -2.419  -7.627
  383   2HB   ARG  49          2HB       ARG  49   7.094  -0.936  -8.125
  384   1HG   ARG  49          1HG       ARG  49   6.938  -1.760 -10.531
  385   2HG   ARG  49          2HG       ARG  49   5.847  -3.035  -9.933
  386   1HD   ARG  49          1HD       ARG  49   4.380  -1.312  -8.956
  387   2HD   ARG  49          2HD       ARG  49   5.468  -0.036  -9.492
  388    HE   ARG  49           HE       ARG  49   3.970  -1.883 -11.316
  389   1HH1  ARG  49          2HH2      ARG  49   5.658   1.212 -11.047
  390   2HH1  ARG  49          1HH2      ARG  49   4.723   1.999 -12.258
  391   1HH2  ARG  49          2HH1      ARG  49   2.654  -0.802 -12.890
  392   2HH2  ARG  49          1HH1      ARG  49   2.921   0.856 -13.271
  393    H    THR  50           H        THR  50  10.026  -0.866  -8.389
  394    HA   THR  50           HA       THR  50  11.009  -1.373  -5.680
  395    HB   THR  50           HB       THR  50  11.890   0.003  -8.179
  396    HG1  THR  50           HG1      THR  50  13.633  -1.339  -7.912
  397   1HG2  THR  50          1HG2      THR  50  13.260   0.456  -5.497
  398   2HG2  THR  50          2HG2      THR  50  13.991   0.804  -7.073
  399   3HG2  THR  50          3HG2      THR  50  12.566   1.705  -6.563
  400    H    THR  51           H        THR  51   8.785   0.855  -7.228
  401    HA   THR  51           HA       THR  51   9.388   3.206  -5.733
  402    HB   THR  51           HB       THR  51   7.069   3.780  -6.835
  403    HG1  THR  51           HG1      THR  51   6.121   2.233  -7.771
  404   1HG2  THR  51          3HG2      THR  51   9.414   2.927  -8.592
  405   2HG2  THR  51          1HG2      THR  51   8.020   3.882  -9.139
  406   3HG2  THR  51          2HG2      THR  51   9.104   4.545  -7.921
  407    H    VAL  52           H        VAL  52   7.832   4.250  -4.326
  408    HA   VAL  52           HA       VAL  52   5.689   2.516  -3.196
  409    HB   VAL  52           HB       VAL  52   6.168   4.015  -1.004
  410   1HG1  VAL  52          1HG1      VAL  52   6.003   1.553  -1.185
  411   2HG1  VAL  52          2HG1      VAL  52   7.697   1.493  -1.700
  412   3HG1  VAL  52          3HG1      VAL  52   7.261   2.092  -0.070
  413   1HG2  VAL  52          3HG2      VAL  52   8.081   5.233  -1.899
  414   2HG2  VAL  52          1HG2      VAL  52   8.466   4.257  -0.476
  415   3HG2  VAL  52          2HG2      VAL  52   8.968   3.702  -2.092
  416    HA   PRO  53           HA       PRO  53   4.312   3.104  -1.158
  417   1HB   PRO  53          1HB       PRO  53   1.676   3.244  -0.773
  418   2HB   PRO  53          2HB       PRO  53   2.753   4.567  -0.215
  419   1HG   PRO  53          1HG       PRO  53   1.153   4.385  -2.774
  420   2HG   PRO  53          2HG       PRO  53   1.214   5.765  -1.632
  421   1HD   PRO  53          1HD       PRO  53   2.738   5.602  -3.914
  422   2HD   PRO  53          2HD       PRO  53   3.302   6.468  -2.450
  423    H    GLN  54           H        GLN  54   3.183   1.033  -1.117
  424    HA   GLN  54           HA       GLN  54   1.880   0.150  -3.606
  425   1HB   GLN  54          1HB       GLN  54   4.078  -1.467  -2.216
  426   2HB   GLN  54          2HB       GLN  54   3.065  -1.961  -3.572
  427   1HG   GLN  54          1HG       GLN  54   4.094   0.108  -4.804
  428   2HG   GLN  54          2HG       GLN  54   5.274   0.112  -3.492
  429   1HE2  GLN  54          2HE2      GLN  54   7.254  -2.058  -5.513
  430   2HE2  GLN  54          1HE2      GLN  54   7.013  -0.455  -4.838
  431    H    ILE  55           H        ILE  55   0.236  -1.593  -3.045
  432    HA   ILE  55           HA       ILE  55  -0.016  -1.908  -0.150
  433    HB   ILE  55           HB       ILE  55  -2.179  -1.115  -2.144
  434   1HG1  ILE  55          1HG1      ILE  55  -2.281   0.686  -0.055
  435   2HG1  ILE  55          2HG1      ILE  55  -0.592   0.302  -0.020
  436   1HG2  ILE  55          3HG2      ILE  55  -2.442  -1.775   0.827
  437   2HG2  ILE  55          1HG2      ILE  55  -3.725  -1.142  -0.213
  438   3HG2  ILE  55          2HG2      ILE  55  -3.080  -2.749  -0.510
  439   1HD1  ILE  55          1HD1      ILE  55  -0.421   1.029  -2.449
  440   2HD1  ILE  55          2HD1      ILE  55  -2.131   1.468  -2.369
  441   3HD1  ILE  55          3HD1      ILE  55  -0.961   2.301  -1.347
  442    H    PHE  56           H        PHE  56  -0.941  -3.860   0.455
  443    HA   PHE  56           HA       PHE  56  -1.411  -5.893  -1.604
  444   1HB   PHE  56          1HB       PHE  56   0.227  -6.260   0.949
  445   2HB   PHE  56          2HB       PHE  56  -0.287  -7.540  -0.122
  446    HD1  PHE  56           HD1      PHE  56   2.054  -4.675   0.251
  447    HD2  PHE  56           HD2      PHE  56   0.895  -8.030  -2.189
  448    HE1  PHE  56           HE1      PHE  56   4.224  -4.569  -0.979
  449    HE2  PHE  56           HE2      PHE  56   3.036  -7.907  -3.396
  450    HZ   PHE  56           HZ       PHE  56   4.749  -6.247  -2.732
  451    H    ILE  57           H        ILE  57  -3.240  -7.193  -0.912
  452    HA   ILE  57           HA       ILE  57  -4.269  -6.651   1.821
  453    HB   ILE  57           HB       ILE  57  -6.100  -6.668  -0.590
  454   1HG1  ILE  57          1HG1      ILE  57  -5.417  -4.318   1.234
  455   2HG1  ILE  57          2HG1      ILE  57  -4.655  -4.537  -0.319
  456   1HG2  ILE  57          1HG2      ILE  57  -6.444  -6.409   2.442
  457   2HG2  ILE  57          2HG2      ILE  57  -7.704  -5.887   1.335
  458   3HG2  ILE  57          3HG2      ILE  57  -7.205  -7.582   1.364
  459   1HD1  ILE  57          2HD1      ILE  57  -6.877  -4.466  -1.447
  460   2HD1  ILE  57          3HD1      ILE  57  -7.603  -4.046   0.117
  461   3HD1  ILE  57          1HD1      ILE  57  -6.394  -2.977  -0.622
  462    H    ASP  58           H        ASP  58  -4.725  -8.485   2.876
  463    HA   ASP  58           HA       ASP  58  -4.353 -10.671   3.346
  464   1HB   ASP  58          1HB       ASP  58  -6.411 -10.635   1.320
  465   2HB   ASP  58          2HB       ASP  58  -5.541 -12.168   1.284
  466    H    ALA  59           H        ALA  59  -2.514  -9.257   1.934
  467    HA   ALA  59           HA       ALA  59  -0.342  -9.362   1.365
  468   1HB   ALA  59          1HB       ALA  59  -0.065 -11.415   2.631
  469   2HB   ALA  59          2HB       ALA  59  -0.576 -12.384   1.230
  470   3HB   ALA  59          3HB       ALA  59   0.898 -11.438   1.135
  471    H    GLN  60           H        GLN  60  -2.865 -10.184  -0.654
  472    HA   GLN  60           HA       GLN  60  -1.433 -10.762  -3.117
  473   1HB   GLN  60          1HB       GLN  60  -4.279  -9.799  -2.632
  474   2HB   GLN  60          2HB       GLN  60  -3.679 -10.514  -4.122
  475   1HG   GLN  60          1HG       GLN  60  -3.473 -12.673  -3.129
  476   2HG   GLN  60          2HG       GLN  60  -3.653 -12.060  -1.487
  477   1HE2  GLN  60          2HE2      GLN  60  -7.232 -11.616  -1.683
  478   2HE2  GLN  60          1HE2      GLN  60  -5.800 -10.797  -1.059
  479    H    HIS  61           H        HIS  61  -0.629  -9.224  -4.538
  480    HA   HIS  61           HA       HIS  61  -0.357  -6.528  -3.554
  481   1HB   HIS  61          1HB       HIS  61   1.353  -7.916  -4.855
  482   2HB   HIS  61          2HB       HIS  61   0.349  -7.723  -6.271
  483    HD1  HIS  61           HD1      HIS  61   1.824  -6.218  -7.780
  484    HD2  HIS  61           HD2      HIS  61   1.616  -4.968  -3.724
  485    HE1  HIS  61           HE1      HIS  61   3.221  -4.075  -7.574
  486    HE2  HIS  61           HE2      HIS  61   3.106  -3.311  -5.175
  487    H    ILE  62           H        ILE  62  -1.357  -4.628  -4.150
  488    HA   ILE  62           HA       ILE  62  -3.544  -4.743  -6.119
  489    HB   ILE  62           HB       ILE  62  -2.608  -2.309  -4.581
  490   1HG1  ILE  62          1HG1      ILE  62  -2.822  -3.818  -2.812
  491   2HG1  ILE  62          2HG1      ILE  62  -4.241  -2.810  -2.795
  492   1HG2  ILE  62          3HG2      ILE  62  -5.282  -3.214  -5.730
  493   2HG2  ILE  62          1HG2      ILE  62  -5.075  -1.769  -4.728
  494   3HG2  ILE  62          2HG2      ILE  62  -4.274  -1.877  -6.303
  495   1HD1  ILE  62          2HD1      ILE  62  -4.304  -5.597  -4.045
  496   2HD1  ILE  62          3HD1      ILE  62  -4.712  -5.272  -2.376
  497   3HD1  ILE  62          1HD1      ILE  62  -5.670  -4.530  -3.668
  498    H    GLY  63           H        GLY  63  -0.404  -3.110  -5.565
  499   1HA   GLY  63          1HA       GLY  63   0.867  -2.793  -7.809
  500   2HA   GLY  63          2HA       GLY  63  -0.551  -1.824  -8.222
  501    H    GLY  64           H        GLY  64  -0.745   0.206  -7.417
  502   1HA   GLY  64          1HA       GLY  64   1.241   1.258  -5.475
  503   2HA   GLY  64          2HA       GLY  64   0.884   2.037  -7.019
  504    H    TYR  65           H        TYR  65   0.228   3.865  -5.886
  505    HA   TYR  65           HA       TYR  65  -1.915   3.965  -3.900
  506   1HB   TYR  65          1HB       TYR  65  -0.068   5.709  -3.949
  507   2HB   TYR  65          2HB       TYR  65  -0.534   6.112  -5.578
  508    HD1  TYR  65           HD2      TYR  65  -3.431   5.520  -3.355
  509    HD2  TYR  65           HD1      TYR  65  -0.482   8.411  -4.612
  510    HE1  TYR  65           HE2      TYR  65  -4.860   7.315  -2.608
  511    HE2  TYR  65           HE1      TYR  65  -1.930  10.234  -3.844
  512    HH   TYR  65           HH       TYR  65  -4.114  10.754  -2.966
  513    H    ASP  66           H        ASP  66  -1.485   5.017  -7.329
  514    HA   ASP  66           HA       ASP  66  -4.172   5.855  -7.666
  515   1HB   ASP  66          1HB       ASP  66  -2.246   4.759  -9.755
  516   2HB   ASP  66          2HB       ASP  66  -3.787   5.563 -10.078
  517    H    ASP  67           H        ASP  67  -2.556   2.750  -8.266
  518    HA   ASP  67           HA       ASP  67  -4.702   1.261  -9.336
  519   1HB   ASP  67          1HB       ASP  67  -2.483   0.272  -7.505
  520   2HB   ASP  67          2HB       ASP  67  -3.556  -0.741  -8.447
  521    H    LEU  68           H        LEU  68  -3.660   1.639  -5.870
  522    HA   LEU  68           HA       LEU  68  -5.867   0.214  -4.822
  523   1HB   LEU  68          1HB       LEU  68  -3.928   0.721  -3.422
  524   2HB   LEU  68          2HB       LEU  68  -4.328   2.444  -3.459
  525    HG   LEU  68           HG       LEU  68  -6.601   1.852  -2.398
  526   1HD1  LEU  68          2HD1      LEU  68  -5.244  -0.858  -2.094
  527   2HD1  LEU  68          3HD1      LEU  68  -6.660  -0.335  -1.169
  528   3HD1  LEU  68          1HD1      LEU  68  -6.783  -0.510  -2.919
  529   1HD2  LEU  68          1HD2      LEU  68  -4.710   2.757  -1.096
  530   2HD2  LEU  68          2HD2      LEU  68  -5.904   1.788  -0.229
  531   3HD2  LEU  68          3HD2      LEU  68  -4.326   1.077  -0.629
  532    H    TYR  69           H        TYR  69  -5.566   3.752  -5.176
  533    HA   TYR  69           HA       TYR  69  -8.104   4.586  -4.179
  534   1HB   TYR  69          1HB       TYR  69  -6.278   6.080  -4.906
  535   2HB   TYR  69          2HB       TYR  69  -6.392   5.511  -6.543
  536    HD1  TYR  69           HD2      TYR  69  -9.696   6.257  -4.996
  537    HD2  TYR  69           HD1      TYR  69  -6.299   7.859  -7.130
  538    HE1  TYR  69           HE2      TYR  69 -11.056   8.186  -5.736
  539    HE2  TYR  69           HE1      TYR  69  -7.623   9.832  -7.781
  540    HH   TYR  69           HH       TYR  69  -9.598  11.056  -7.001
  541    H    ALA  70           H        ALA  70  -7.261   3.523  -7.511
  542    HA   ALA  70           HA       ALA  70  -9.956   3.827  -8.493
  543   1HB   ALA  70          1HB       ALA  70  -7.982   3.791  -9.977
  544   2HB   ALA  70          2HB       ALA  70  -7.689   2.090  -9.534
  545   3HB   ALA  70          3HB       ALA  70  -9.158   2.543 -10.427
  546    H    LEU  71           H        LEU  71  -8.073   1.082  -7.327
  547    HA   LEU  71           HA       LEU  71  -9.973  -0.988  -7.620
  548   1HB   LEU  71          1HB       LEU  71  -7.496  -1.245  -7.214
  549   2HB   LEU  71          2HB       LEU  71  -7.734  -0.733  -5.571
  550    HG   LEU  71           HG       LEU  71  -7.522  -3.249  -6.100
  551   1HD1  LEU  71          1HD1      LEU  71  -9.432  -2.141  -4.157
  552   2HD1  LEU  71          2HD1      LEU  71  -8.980  -3.870  -4.226
  553   3HD1  LEU  71          3HD1      LEU  71  -7.760  -2.626  -3.941
  554   1HD2  LEU  71          3HD2      LEU  71  -9.082  -3.478  -7.881
  555   2HD2  LEU  71          1HD2      LEU  71  -9.525  -4.505  -6.511
  556   3HD2  LEU  71          2HD2      LEU  71 -10.427  -3.007  -6.832
  557    H    ASP  72           H        ASP  72  -9.420   1.300  -4.978
  558    HA   ASP  72           HA       ASP  72 -11.220   0.221  -3.040
  559   1HB   ASP  72          1HB       ASP  72  -9.454   1.715  -2.350
  560   2HB   ASP  72          2HB       ASP  72  -9.925   2.933  -3.514
  561    H    ALA  73           H        ALA  73 -11.429   3.096  -5.126
  562    HA   ALA  73           HA       ALA  73 -14.039   3.634  -4.363
  563   1HB   ALA  73          1HB       ALA  73 -12.553   4.551  -6.844
  564   2HB   ALA  73          2HB       ALA  73 -14.050   5.285  -6.232
  565   3HB   ALA  73          3HB       ALA  73 -12.567   5.340  -5.259
  566    H    ARG  74           H        ARG  74 -13.006   1.512  -6.918
  567    HA   ARG  74           HA       ARG  74 -15.659   1.171  -8.100
  568   1HB   ARG  74          1HB       ARG  74 -14.613  -0.376  -9.500
  569   2HB   ARG  74          2HB       ARG  74 -13.435   0.898  -9.240
  570   1HG   ARG  74          1HG       ARG  74 -11.906  -0.564  -8.561
  571   2HG   ARG  74          2HG       ARG  74 -12.923  -1.138  -7.265
  572   1HD   ARG  74          1HD       ARG  74 -13.356  -2.179 -10.069
  573   2HD   ARG  74          2HD       ARG  74 -11.987  -2.740  -9.106
  574    HE   ARG  74           HE       ARG  74 -14.608  -2.845  -7.784
  575   1HH1  ARG  74          2HH2      ARG  74 -12.533  -4.630 -10.023
  576   2HH1  ARG  74          1HH2      ARG  74 -12.831  -6.183  -9.346
  577   1HH2  ARG  74          2HH1      ARG  74 -14.711  -4.911  -6.583
  578   2HH2  ARG  74          1HH1      ARG  74 -14.068  -6.335  -7.344
  579    H    GLY  75           H        GLY  75 -14.343   0.136  -5.231
  580   1HA   GLY  75          1HA       GLY  75 -15.243  -1.271  -3.613
  581   2HA   GLY  75          2HA       GLY  75 -16.507  -1.766  -4.743
  582    H    GLY  76           H        GLY  76 -12.824  -2.010  -4.847
  583   1HA   GLY  76          1HA       GLY  76 -13.101  -4.967  -4.923
  584   2HA   GLY  76          2HA       GLY  76 -11.780  -4.023  -5.616
  585    H    LEU  77           H        LEU  77 -11.467  -2.089  -3.449
  586    HA   LEU  77           HA       LEU  77  -9.981  -3.653  -1.560
  587   1HB   LEU  77          1HB       LEU  77  -9.590  -1.171  -2.116
  588   2HB   LEU  77          2HB       LEU  77 -10.973  -0.790  -1.118
  589    HG   LEU  77           HG       LEU  77  -8.252  -1.749  -0.329
  590   1HD1  LEU  77          3HD1      LEU  77  -8.784   0.668  -0.501
  591   2HD1  LEU  77          1HD1      LEU  77 -10.050   0.469   0.715
  592   3HD1  LEU  77          2HD1      LEU  77  -8.346   0.197   1.149
  593   1HD2  LEU  77          3HD2      LEU  77 -10.609  -1.867   1.582
  594   2HD2  LEU  77          1HD2      LEU  77  -9.535  -3.210   1.111
  595   3HD2  LEU  77          2HD2      LEU  77  -8.901  -1.882   2.061
  596    H    ASP  78           H        ASP  78 -13.106  -1.966  -1.587
  597    HA   ASP  78           HA       ASP  78 -13.925  -2.210   1.033
  598   1HB   ASP  78          1HB       ASP  78 -15.196  -0.862  -0.394
  599   2HB   ASP  78          2HB       ASP  78 -15.455  -2.149  -1.563
  600    HA   PRO  79           HA       PRO  79 -15.744  -6.575   0.647
  601   1HB   PRO  79          1HB       PRO  79 -15.414  -8.152  -1.568
  602   2HB   PRO  79          2HB       PRO  79 -16.758  -6.985  -1.375
  603   1HG   PRO  79          1HG       PRO  79 -14.128  -6.566  -2.835
  604   2HG   PRO  79          2HG       PRO  79 -15.787  -6.244  -3.437
  605   1HD   PRO  79          1HD       PRO  79 -14.275  -4.261  -2.373
  606   2HD   PRO  79          2HD       PRO  79 -16.030  -4.353  -2.041
  607    H    LEU  80           H        LEU  80 -12.518  -5.860  -0.630
  608    HA   LEU  80           HA       LEU  80 -11.365  -8.439   0.103
  609   1HB   LEU  80          1HB       LEU  80 -10.389  -5.799  -0.906
  610   2HB   LEU  80          2HB       LEU  80  -9.272  -6.657   0.100
  611    HG   LEU  80           HG       LEU  80 -10.567  -8.022  -2.267
  612   1HD1  LEU  80          2HD1      LEU  80  -7.923  -6.495  -2.134
  613   2HD1  LEU  80          3HD1      LEU  80  -8.501  -7.490  -3.486
  614   3HD1  LEU  80          1HD1      LEU  80  -9.359  -6.016  -3.061
  615   1HD2  LEU  80          1HD2      LEU  80  -7.991  -8.544  -0.682
  616   2HD2  LEU  80          2HD2      LEU  80  -9.482  -9.491  -0.554
  617   3HD2  LEU  80          3HD2      LEU  80  -8.567  -9.483  -2.068
  618    H    LEU  81           H        LEU  81 -12.137  -5.460   1.775
  619    HA   LEU  81           HA       LEU  81 -10.154  -5.371   3.667
  620   1HB   LEU  81          1HB       LEU  81 -11.882  -3.636   3.176
  621   2HB   LEU  81          2HB       LEU  81 -13.071  -4.557   4.072
  622    HG   LEU  81           HG       LEU  81 -12.111  -2.603   5.253
  623   1HD1  LEU  81          2HD1      LEU  81 -13.080  -4.502   6.547
  624   2HD1  LEU  81          3HD1      LEU  81 -11.436  -5.122   6.809
  625   3HD1  LEU  81          1HD1      LEU  81 -11.893  -3.530   7.430
  626   1HD2  LEU  81          3HD2      LEU  81  -9.816  -2.712   4.416
  627   2HD2  LEU  81          1HD2      LEU  81  -9.874  -2.614   6.190
  628   3HD2  LEU  81          2HD2      LEU  81  -9.523  -4.158   5.398
  629    H    LYS  82           H        LYS  82 -13.345  -6.816   4.159
  630    HA   LYS  82           HA       LYS  82 -14.208  -8.120   5.807
  631   1HB   LYS  82          1HB       LYS  82 -13.472  -9.378   3.744
  632   2HB   LYS  82          2HB       LYS  82 -12.106  -9.983   4.679
  633   1HG   LYS  82          1HG       LYS  82 -14.646 -10.372   6.099
  634   2HG   LYS  82          2HG       LYS  82 -14.748 -11.026   4.474
  635   1HD   LYS  82          1HD       LYS  82 -12.568 -11.774   6.453
  636   2HD   LYS  82          2HD       LYS  82 -14.078 -12.633   6.249
  637   1HE   LYS  82          1HE       LYS  82 -12.791 -13.938   4.933
  638   2HE   LYS  82          2HE       LYS  82 -13.402 -12.806   3.718
  639   1HZ   LYS  82          1HZ       LYS  82 -10.719 -12.680   5.001
  640   2HZ   LYS  82          2HZ       LYS  82 -11.035 -13.256   3.515
  641   3HZ   LYS  82          3HZ       LYS  82 -11.253 -11.674   3.816
  642   1HB2  GTT  83          1HB2      GTT  83   7.905   6.904  -3.281
  643   2HB2  GTT  83          2HB2      GTT  83   9.164   8.116  -3.381
  644    HA2  GTT  83           HA2      GTT  83   8.837   8.247  -5.826
  645    HN2  GTT  83           HN2      GTT  83   6.437   6.726  -5.179
  646   1HG1  GTT  83          1HG1      GTT  83   4.935   7.721  -7.302
  647   2HG1  GTT  83          2HG1      GTT  83   4.976   6.010  -6.866
  648   1HB1  GTT  83          1HB1      GTT  83   5.269   5.302  -9.083
  649   2HB1  GTT  83          2HB1      GTT  83   5.837   6.876  -9.655
  650    HA1  GTT  83           HA1      GTT  83   3.047   6.623  -8.518
  651   1HN1  GTT  83          1HN1      GTT  83   3.742   6.088 -11.295
  652   2HN1  GTT  83          2HN1      GTT  83   3.092   4.989 -10.221
  653   3HN1  GTT  83          3HN1      GTT  83   2.253   6.327 -10.719
  654    HN3  GTT  83           HN3      GTT  83  10.508   7.022  -6.789
  655   1HA3  GTT  83          1HA3      GTT  83  11.562   4.820  -5.203
  656   2HA3  GTT  83          2HA3      GTT  83  11.017   4.368  -6.829
   
  No H/Q in entry =         656
  Start of MODEL   19
    1   1H    ALA   1          2H        ALA   1  -8.237 -10.500   6.853
    2   2H    ALA   1          3H        ALA   1  -9.433  -9.741   5.977
    3   3H    ALA   1          1H        ALA   1  -7.962 -10.022   5.316
    4    HA   ALA   1           HA       ALA   1  -8.102  -7.774   5.804
    5   1HB   ALA   1          1HB       ALA   1  -9.827  -7.883   7.544
    6   2HB   ALA   1          2HB       ALA   1  -8.661  -8.606   8.668
    7   3HB   ALA   1          3HB       ALA   1  -8.416  -6.944   8.069
    8    H    ASN   2           H        ASN   2  -5.998  -8.196   5.082
    9    HA   ASN   2           HA       ASN   2  -4.001  -7.697   7.237
   10   1HB   ASN   2          1HB       ASN   2  -4.036 -10.143   6.676
   11   2HB   ASN   2          2HB       ASN   2  -3.693  -9.754   5.001
   12   1HD2  ASN   2          2HD2      ASN   2  -0.216  -8.882   5.613
   13   2HD2  ASN   2          1HD2      ASN   2  -1.627  -8.314   4.755
   14    H    VAL   3           H        VAL   3  -4.849  -5.506   6.199
   15    HA   VAL   3           HA       VAL   3  -3.788  -4.959   3.512
   16    HB   VAL   3           HB       VAL   3  -5.139  -3.096   5.499
   17   1HG1  VAL   3          1HG1      VAL   3  -4.488  -2.683   2.547
   18   2HG1  VAL   3          2HG1      VAL   3  -5.413  -1.575   3.577
   19   3HG1  VAL   3          3HG1      VAL   3  -3.701  -1.869   3.902
   20   1HG2  VAL   3          1HG2      VAL   3  -6.718  -4.811   4.719
   21   2HG2  VAL   3          2HG2      VAL   3  -7.092  -3.216   4.035
   22   3HG2  VAL   3          3HG2      VAL   3  -6.302  -4.432   3.037
   23    H    GLU   4           H        GLU   4  -1.600  -4.692   3.413
   24    HA   GLU   4           HA       GLU   4  -0.357  -3.024   5.538
   25   1HB   GLU   4          1HB       GLU   4   1.430  -4.869   3.998
   26   2HB   GLU   4          2HB       GLU   4   1.556  -4.191   5.609
   27   1HG   GLU   4          1HG       GLU   4   0.118  -5.838   6.565
   28   2HG   GLU   4          2HG       GLU   4  -0.425  -6.389   4.975
   29    H    ILE   5           H        ILE   5   0.691  -1.243   4.790
   30    HA   ILE   5           HA       ILE   5   0.877  -0.785   1.858
   31    HB   ILE   5           HB       ILE   5  -1.028   0.408   2.375
   32   1HG1  ILE   5          1HG1      ILE   5   1.140   2.501   2.841
   33   2HG1  ILE   5          2HG1      ILE   5   0.900   1.721   1.285
   34   1HG2  ILE   5          1HG2      ILE   5  -1.010   0.236   4.864
   35   2HG2  ILE   5          2HG2      ILE   5   0.173   1.560   4.917
   36   3HG2  ILE   5          3HG2      ILE   5  -1.462   1.830   4.295
   37   1HD1  ILE   5          3HD1      ILE   5  -1.218   3.369   2.736
   38   2HD1  ILE   5          1HD1      ILE   5  -0.174   3.919   1.434
   39   3HD1  ILE   5          2HD1      ILE   5  -1.366   2.639   1.119
   40    H    TYR   6           H        TYR   6   2.898  -0.737   1.392
   41    HA   TYR   6           HA       TYR   6   4.971  -0.188   3.371
   42   1HB   TYR   6          1HB       TYR   6   4.892  -0.981   0.446
   43   2HB   TYR   6          2HB       TYR   6   6.361  -0.364   1.171
   44    HD1  TYR   6           HD1      TYR   6   7.558  -1.520   2.905
   45    HD2  TYR   6           HD2      TYR   6   3.953  -3.183   1.270
   46    HE1  TYR   6           HE1      TYR   6   8.175  -3.701   3.850
   47    HE2  TYR   6           HE2      TYR   6   4.497  -5.378   2.298
   48    HH   TYR   6           HH       TYR   6   5.886  -6.342   4.074
   49    H    THR   7           H        THR   7   5.983   1.691   3.664
   50    HA   THR   7           HA       THR   7   5.428   3.953   1.814
   51    HB   THR   7           HB       THR   7   5.291   5.324   3.948
   52    HG1  THR   7           HG1      THR   7   4.960   4.198   5.862
   53   1HG2  THR   7          3HG2      THR   7   3.255   4.647   2.706
   54   2HG2  THR   7          1HG2      THR   7   3.189   3.135   3.643
   55   3HG2  THR   7          2HG2      THR   7   2.991   4.677   4.456
   56    H    LYS   8           H        LYS   8   6.968   5.786   2.367
   57    HA   LYS   8           HA       LYS   8   9.477   4.936   3.595
   58   1HB   LYS   8          1HB       LYS   8   9.736   4.645   1.061
   59   2HB   LYS   8          2HB       LYS   8   9.466   6.391   0.895
   60   1HG   LYS   8          1HG       LYS   8  11.473   6.719   2.473
   61   2HG   LYS   8          2HG       LYS   8  11.697   4.975   2.408
   62   1HD   LYS   8          1HD       LYS   8  13.231   5.863   0.867
   63   2HD   LYS   8          2HD       LYS   8  11.920   5.187  -0.102
   64   1HE   LYS   8          1HE       LYS   8  12.706   7.272  -1.030
   65   2HE   LYS   8          2HE       LYS   8  11.024   7.447  -0.508
   66   1HZ   LYS   8          3HZ       LYS   8  13.172   8.259   1.317
   67   2HZ   LYS   8          1HZ       LYS   8  12.805   9.257   0.091
   68   3HZ   LYS   8          2HZ       LYS   8  11.668   8.849   1.211
   69    H    GLU   9           H        GLU   9  10.536   7.020   4.346
   70    HA   GLU   9           HA       GLU   9   8.746   9.214   4.919
   71   1HB   GLU   9          1HB       GLU   9  10.789   8.309   6.261
   72   2HB   GLU   9          2HB       GLU   9  11.789   9.207   5.112
   73   1HG   GLU   9          1HG       GLU   9  10.606  11.311   5.779
   74   2HG   GLU   9          2HG       GLU   9   9.558  10.382   6.832
   75    H    THR  10           H        THR  10   9.696  11.462   4.324
   76    HA   THR  10           HA       THR  10   9.992  13.117   2.889
   77    HB   THR  10           HB       THR  10  12.165  12.996   1.644
   78    HG1  THR  10           HG1      THR  10  13.163  11.188   1.451
   79   1HG2  THR  10          1HG2      THR  10  11.921  13.718   4.051
   80   2HG2  THR  10          2HG2      THR  10  12.342  12.056   4.533
   81   3HG2  THR  10          3HG2      THR  10  13.498  13.046   3.632
   82    H    CYS  11           H        CYS  11   8.348  10.720   1.602
   83    HA   CYS  11           HA       CYS  11   8.217  12.141  -1.003
   84   1HB   CYS  11          1HB       CYS  11   9.494  10.126  -1.322
   85   2HB   CYS  11          2HB       CYS  11   8.129   9.161  -0.737
   86    HA   PRO  12           HA       PRO  12   4.279  12.535   0.775
   87   1HB   PRO  12          1HB       PRO  12   2.996  14.073  -1.063
   88   2HB   PRO  12          2HB       PRO  12   4.243  14.733   0.054
   89   1HG   PRO  12          1HG       PRO  12   4.594  13.813  -2.815
   90   2HG   PRO  12          2HG       PRO  12   5.202  15.324  -2.070
   91   1HD   PRO  12          1HD       PRO  12   6.793  13.147  -2.355
   92   2HD   PRO  12          2HD       PRO  12   6.892  14.152  -0.875
   93    H    TYR  13           H        TYR  13   4.522  11.434  -2.706
   94    HA   TYR  13           HA       TYR  13   1.898  10.420  -2.934
   95   1HB   TYR  13          1HB       TYR  13   3.614  10.756  -4.717
   96   2HB   TYR  13          2HB       TYR  13   4.513   9.429  -4.116
   97    HD1  TYR  13           HD2      TYR  13   1.576  10.461  -6.027
   98    HD2  TYR  13           HD1      TYR  13   3.899   7.119  -4.581
   99    HE1  TYR  13           HE2      TYR  13   0.461   8.985  -7.642
  100    HE2  TYR  13           HE1      TYR  13   2.789   5.638  -6.198
  101    HH   TYR  13           HH       TYR  13  -0.006   6.819  -8.142
  102    H    SER  14           H        SER  14   4.670   9.078  -1.106
  103    HA   SER  14           HA       SER  14   3.307   6.542  -0.432
  104   1HB   SER  14          1HB       SER  14   5.505   6.215  -0.088
  105   2HB   SER  14          2HB       SER  14   5.862   7.912   0.167
  106    HG   SER  14           HG       SER  14   5.977   7.522   2.181
  107    H    HIS  15           H        HIS  15   3.634   9.645   1.123
  108    HA   HIS  15           HA       HIS  15   1.945   8.991   3.358
  109   1HB   HIS  15          1HB       HIS  15   2.969  11.561   2.223
  110   2HB   HIS  15          2HB       HIS  15   1.571  11.636   3.274
  111    HD1  HIS  15           HD1      HIS  15   2.291  12.154   5.635
  112    HD2  HIS  15           HD2      HIS  15   4.880   9.507   3.577
  113    HE1  HIS  15           HE1      HIS  15   4.014  11.282   7.364
  114    HE2  HIS  15           HE2      HIS  15   5.569   9.676   6.138
  115    H    ARG  16           H        ARG  16   1.096  10.583   0.335
  116    HA   ARG  16           HA       ARG  16  -1.599  11.135   0.709
  117   1HB   ARG  16          1HB       ARG  16   0.057  10.394  -1.739
  118   2HB   ARG  16          2HB       ARG  16  -1.585  10.942  -1.866
  119   1HG   ARG  16          1HG       ARG  16  -0.173  12.843  -0.218
  120   2HG   ARG  16          2HG       ARG  16   0.769  12.531  -1.680
  121   1HD   ARG  16          1HD       ARG  16  -1.109  13.134  -3.113
  122   2HD   ARG  16          2HD       ARG  16  -2.176  13.242  -1.719
  123    HE   ARG  16           HE       ARG  16  -1.335  15.250  -1.114
  124   1HH1  ARG  16          2HH2      ARG  16   0.845  14.038  -3.677
  125   2HH1  ARG  16          1HH2      ARG  16   1.841  15.461  -3.656
  126   1HH2  ARG  16          2HH1      ARG  16  -0.174  17.125  -1.248
  127   2HH2  ARG  16          1HH1      ARG  16   1.407  17.120  -1.968
  128    H    ALA  17           H        ALA  17  -0.099   7.984  -0.238
  129    HA   ALA  17           HA       ALA  17  -2.615   6.805  -0.888
  130   1HB   ALA  17          1HB       ALA  17  -0.453   5.946  -1.667
  131   2HB   ALA  17          2HB       ALA  17  -0.002   5.537  -0.007
  132   3HB   ALA  17          3HB       ALA  17  -1.354   4.683  -0.800
  133    H    LYS  18           H        LYS  18  -1.115   7.327   2.208
  134    HA   LYS  18           HA       LYS  18  -2.958   5.405   3.556
  135   1HB   LYS  18          1HB       LYS  18  -1.543   7.678   4.948
  136   2HB   LYS  18          2HB       LYS  18  -2.256   6.227   5.629
  137   1HG   LYS  18          1HG       LYS  18  -0.197   5.386   5.720
  138   2HG   LYS  18          2HG       LYS  18  -0.343   5.122   3.984
  139   1HD   LYS  18          1HD       LYS  18   1.759   6.320   4.472
  140   2HD   LYS  18          2HD       LYS  18   0.699   7.250   3.508
  141   1HE   LYS  18          1HE       LYS  18   1.957   8.405   5.513
  142   2HE   LYS  18          2HE       LYS  18   0.273   8.824   5.201
  143   1HZ   LYS  18          3HZ       LYS  18   1.144   6.917   7.304
  144   2HZ   LYS  18          1HZ       LYS  18   0.736   8.486   7.543
  145   3HZ   LYS  18          2HZ       LYS  18  -0.397   7.437   7.040
  146    H    ALA  19           H        ALA  19  -2.688   8.932   2.920
  147    HA   ALA  19           HA       ALA  19  -5.025   9.678   4.330
  148   1HB   ALA  19          3HB       ALA  19  -3.389  11.302   3.455
  149   2HB   ALA  19          1HB       ALA  19  -3.911  10.925   1.791
  150   3HB   ALA  19          2HB       ALA  19  -5.047  11.665   2.931
  151    H    LEU  20           H        LEU  20  -4.676   8.174   1.152
  152    HA   LEU  20           HA       LEU  20  -7.415   8.442   0.312
  153   1HB   LEU  20          1HB       LEU  20  -5.790   7.826  -1.256
  154   2HB   LEU  20          2HB       LEU  20  -5.138   6.526  -0.309
  155    HG   LEU  20           HG       LEU  20  -6.382   5.973  -2.415
  156   1HD1  LEU  20          2HD1      LEU  20  -5.800   4.294  -0.632
  157   2HD1  LEU  20          3HD1      LEU  20  -7.495   4.402  -0.088
  158   3HD1  LEU  20          1HD1      LEU  20  -7.133   3.867  -1.719
  159   1HD2  LEU  20          1HD2      LEU  20  -8.368   7.444  -1.952
  160   2HD2  LEU  20          2HD2      LEU  20  -8.743   5.769  -2.444
  161   3HD2  LEU  20          3HD2      LEU  20  -8.882   6.247  -0.742
  162    H    LEU  21           H        LEU  21  -5.812   5.658   1.827
  163    HA   LEU  21           HA       LEU  21  -8.095   4.122   2.418
  164   1HB   LEU  21          1HB       LEU  21  -5.394   4.440   3.791
  165   2HB   LEU  21          2HB       LEU  21  -6.580   3.321   4.410
  166    HG   LEU  21           HG       LEU  21  -5.980   3.089   1.477
  167   1HD1  LEU  21          2HD1      LEU  21  -4.015   2.178   3.600
  168   2HD1  LEU  21          3HD1      LEU  21  -3.963   1.773   1.859
  169   3HD1  LEU  21          1HD1      LEU  21  -3.754   3.443   2.380
  170   1HD2  LEU  21          2HD2      LEU  21  -6.404   1.102   3.757
  171   2HD2  LEU  21          3HD2      LEU  21  -7.556   1.554   2.474
  172   3HD2  LEU  21          1HD2      LEU  21  -6.089   0.647   2.079
  173    H    SER  22           H        SER  22  -6.528   6.607   4.414
  174    HA   SER  22           HA       SER  22  -8.245   6.494   6.643
  175   1HB   SER  22          1HB       SER  22  -6.087   7.556   6.786
  176   2HB   SER  22          2HB       SER  22  -6.424   8.584   5.393
  177    HG   SER  22           HG       SER  22  -7.322   9.993   6.537
  178    H    SER  23           H        SER  23  -8.456   8.581   3.619
  179    HA   SER  23           HA       SER  23 -10.730  10.001   4.439
  180   1HB   SER  23          1HB       SER  23  -9.091  10.150   2.324
  181   2HB   SER  23          2HB       SER  23 -10.355   9.196   1.559
  182    HG   SER  23           HG       SER  23 -10.397  11.720   2.837
  183    H    LYS  24           H        LYS  24 -10.413   6.708   3.075
  184    HA   LYS  24           HA       LYS  24 -13.345   6.428   2.901
  185   1HB   LYS  24          1HB       LYS  24 -11.181   4.447   2.182
  186   2HB   LYS  24          2HB       LYS  24 -12.897   4.363   1.783
  187   1HG   LYS  24          1HG       LYS  24 -12.004   6.888   0.781
  188   2HG   LYS  24          2HG       LYS  24 -10.693   5.772   0.481
  189   1HD   LYS  24          1HD       LYS  24 -12.623   4.245  -0.496
  190   2HD   LYS  24          2HD       LYS  24 -13.501   5.762  -0.649
  191   1HE   LYS  24          1HE       LYS  24 -10.682   5.241  -1.684
  192   2HE   LYS  24          2HE       LYS  24 -12.122   5.008  -2.685
  193   1HZ   LYS  24          3HZ       LYS  24 -11.996   7.590  -1.445
  194   2HZ   LYS  24          1HZ       LYS  24 -10.769   7.361  -2.471
  195   3HZ   LYS  24          2HZ       LYS  24 -12.322   7.221  -2.993
  196    H    GLY  25           H        GLY  25 -11.204   6.201   5.446
  197   1HA   GLY  25          1HA       GLY  25 -11.552   5.421   7.579
  198   2HA   GLY  25          2HA       GLY  25 -13.175   4.921   7.093
  199    H    VAL  26           H        VAL  26 -10.047   3.802   5.689
  200    HA   VAL  26           HA       VAL  26 -10.888   1.010   6.306
  201    HB   VAL  26           HB       VAL  26  -8.701   1.980   4.447
  202   1HG1  VAL  26          2HG1      VAL  26 -10.099  -0.725   4.709
  203   2HG1  VAL  26          3HG1      VAL  26  -9.014  -0.282   3.381
  204   3HG1  VAL  26          1HG1      VAL  26  -8.376  -0.377   5.014
  205   1HG2  VAL  26          3HG2      VAL  26 -11.562   1.188   3.739
  206   2HG2  VAL  26          1HG2      VAL  26 -10.866   2.817   3.619
  207   3HG2  VAL  26          2HG2      VAL  26 -10.263   1.547   2.574
  208    H    SER  27           H        SER  27  -9.265  -0.454   7.126
  209    HA   SER  27           HA       SER  27  -7.408   0.834   9.050
  210   1HB   SER  27          1HB       SER  27  -8.815  -1.843   9.306
  211   2HB   SER  27          2HB       SER  27  -8.015  -0.899  10.575
  212    HG   SER  27           HG       SER  27 -10.534  -0.782   9.699
  213    H    PHE  28           H        PHE  28  -5.291   0.293   8.868
  214    HA   PHE  28           HA       PHE  28  -4.372  -1.955   7.187
  215   1HB   PHE  28          1HB       PHE  28  -3.155  -0.361   5.718
  216   2HB   PHE  28          2HB       PHE  28  -4.889  -0.181   5.598
  217    HD1  PHE  28           HD2      PHE  28  -1.796   1.420   7.003
  218    HD2  PHE  28           HD1      PHE  28  -6.028   1.837   6.242
  219    HE1  PHE  28           HE2      PHE  28  -1.658   3.838   7.511
  220    HE2  PHE  28           HE1      PHE  28  -5.882   4.245   6.757
  221    HZ   PHE  28           HZ       PHE  28  -3.699   5.260   7.360
  222    H    GLN  29           H        GLN  29  -1.850  -1.585   6.961
  223    HA   GLN  29           HA       GLN  29  -0.658  -0.905   9.572
  224   1HB   GLN  29          1HB       GLN  29  -1.032  -3.367   9.291
  225   2HB   GLN  29          2HB       GLN  29  -0.129  -3.337   7.790
  226   1HG   GLN  29          1HG       GLN  29   1.911  -2.693   8.953
  227   2HG   GLN  29          2HG       GLN  29   1.018  -2.418  10.461
  228   1HE2  GLN  29          2HE2      GLN  29   1.750  -6.291   9.270
  229   2HE2  GLN  29          1HE2      GLN  29   2.164  -4.984   8.192
  230    H    GLU  30           H        GLU  30   0.371   0.887   8.973
  231    HA   GLU  30           HA       GLU  30   1.694   1.256   6.423
  232   1HB   GLU  30          1HB       GLU  30   1.157   3.018   8.487
  233   2HB   GLU  30          2HB       GLU  30   2.888   2.664   8.742
  234   1HG   GLU  30          1HG       GLU  30   3.137   3.036   6.209
  235   2HG   GLU  30          2HG       GLU  30   1.535   3.762   6.255
  236    H    LEU  31           H        LEU  31   3.720   0.772   5.826
  237    HA   LEU  31           HA       LEU  31   5.508  -0.765   7.667
  238   1HB   LEU  31          1HB       LEU  31   4.621  -1.526   4.891
  239   2HB   LEU  31          2HB       LEU  31   6.040  -2.195   5.687
  240    HG   LEU  31           HG       LEU  31   3.138  -2.453   6.602
  241   1HD1  LEU  31          1HD1      LEU  31   5.240  -4.379   5.578
  242   2HD1  LEU  31          2HD1      LEU  31   3.608  -4.799   6.098
  243   3HD1  LEU  31          3HD1      LEU  31   3.817  -3.766   4.668
  244   1HD2  LEU  31          2HD2      LEU  31   5.707  -3.466   7.886
  245   2HD2  LEU  31          3HD2      LEU  31   4.391  -2.524   8.644
  246   3HD2  LEU  31          1HD2      LEU  31   4.124  -4.198   8.194
  247    HA   PRO  32           HA       PRO  32   7.793   2.792   5.752
  248   1HB   PRO  32          1HB       PRO  32   9.361   2.711   8.221
  249   2HB   PRO  32          2HB       PRO  32   8.369   4.033   7.558
  250   1HG   PRO  32          1HG       PRO  32   7.707   2.570   9.849
  251   2HG   PRO  32          2HG       PRO  32   6.526   3.414   8.801
  252   1HD   PRO  32          1HD       PRO  32   7.211   0.474   8.827
  253   2HD   PRO  32          2HD       PRO  32   5.646   1.285   8.587
  254    H    ILE  33           H        ILE  33   9.171   2.013   4.300
  255    HA   ILE  33           HA       ILE  33  11.454   0.245   5.091
  256    HB   ILE  33           HB       ILE  33  11.508  -0.170   2.572
  257   1HG1  ILE  33          1HG1      ILE  33   8.555   0.409   2.737
  258   2HG1  ILE  33          2HG1      ILE  33   9.770   1.380   1.888
  259   1HG2  ILE  33          3HG2      ILE  33  11.208  -1.779   4.350
  260   2HG2  ILE  33          1HG2      ILE  33   9.465  -1.459   4.382
  261   3HG2  ILE  33          2HG2      ILE  33  10.234  -2.231   2.957
  262   1HD1  ILE  33          2HD1      ILE  33   9.121  -1.530   1.231
  263   2HD1  ILE  33          3HD1      ILE  33   8.585  -0.118   0.334
  264   3HD1  ILE  33          1HD1      ILE  33  10.287  -0.490   0.404
  265    H    ASP  34           H        ASP  34  11.621   2.642   5.825
  266    HA   ASP  34           HA       ASP  34  13.260   4.064   3.817
  267   1HB   ASP  34          1HB       ASP  34  11.718   5.571   4.953
  268   2HB   ASP  34          2HB       ASP  34  12.138   4.897   6.535
  269    H    GLY  35           H        GLY  35  15.444   3.946   3.982
  270   1HA   GLY  35          1HA       GLY  35  17.545   3.726   4.853
  271   2HA   GLY  35          2HA       GLY  35  16.843   3.652   6.464
  272    H    ASN  36           H        ASN  36  15.201   1.292   5.856
  273    HA   ASN  36           HA       ASN  36  17.158  -0.920   5.991
  274   1HB   ASN  36          1HB       ASN  36  15.343  -1.367   7.408
  275   2HB   ASN  36          2HB       ASN  36  14.188  -0.546   6.365
  276   1HD2  ASN  36          2HD2      ASN  36  13.099  -3.458   4.819
  277   2HD2  ASN  36          1HD2      ASN  36  12.700  -2.069   5.832
  278    H    ALA  37           H        ALA  37  17.934  -1.757   4.097
  279    HA   ALA  37           HA       ALA  37  16.433  -1.237   1.603
  280   1HB   ALA  37          2HB       ALA  37  18.864  -0.726   1.637
  281   2HB   ALA  37          3HB       ALA  37  19.197  -2.445   1.998
  282   3HB   ALA  37          1HB       ALA  37  18.460  -1.982   0.454
  283    H    ALA  38           H        ALA  38  17.026  -3.795   3.870
  284    HA   ALA  38           HA       ALA  38  16.775  -6.014   2.089
  285   1HB   ALA  38          2HB       ALA  38  17.741  -6.242   4.351
  286   2HB   ALA  38          3HB       ALA  38  16.160  -5.885   5.079
  287   3HB   ALA  38          1HB       ALA  38  16.381  -7.351   4.114
  288    H    LYS  39           H        LYS  39  14.293  -4.934   4.476
  289    HA   LYS  39           HA       LYS  39  12.304  -6.370   2.975
  290   1HB   LYS  39          1HB       LYS  39  12.157  -5.584   5.472
  291   2HB   LYS  39          2HB       LYS  39  11.338  -4.178   4.782
  292   1HG   LYS  39          1HG       LYS  39   9.649  -5.626   3.731
  293   2HG   LYS  39          2HG       LYS  39  10.543  -7.069   4.223
  294   1HD   LYS  39          1HD       LYS  39   8.681  -6.792   5.730
  295   2HD   LYS  39          2HD       LYS  39  10.187  -6.507   6.595
  296   1HE   LYS  39          1HE       LYS  39   9.595  -3.945   5.823
  297   2HE   LYS  39          2HE       LYS  39   7.961  -4.619   5.866
  298   1HZ   LYS  39          1HZ       LYS  39   9.915  -4.614   8.078
  299   2HZ   LYS  39          2HZ       LYS  39   8.607  -3.611   7.929
  300   3HZ   LYS  39          3HZ       LYS  39   8.385  -5.226   8.179
  301    H    ARG  40           H        ARG  40  13.519  -3.095   2.557
  302    HA   ARG  40           HA       ARG  40  11.509  -2.123   0.810
  303   1HB   ARG  40          1HB       ARG  40  13.359  -0.738   1.698
  304   2HB   ARG  40          2HB       ARG  40  14.508  -1.762   0.890
  305   1HG   ARG  40          1HG       ARG  40  14.524   0.179  -0.248
  306   2HG   ARG  40          2HG       ARG  40  13.685  -0.950  -1.307
  307   1HD   ARG  40          1HD       ARG  40  11.653   0.225  -1.147
  308   2HD   ARG  40          2HD       ARG  40  12.032   0.901   0.449
  309    HE   ARG  40           HE       ARG  40  12.747   1.918  -2.175
  310   1HH1  ARG  40          2HH2      ARG  40  13.425   2.247   1.341
  311   2HH1  ARG  40          1HH2      ARG  40  14.419   3.636   1.131
  312   1HH2  ARG  40          2HH1      ARG  40  13.658   3.980  -2.331
  313   2HH2  ARG  40          1HH1      ARG  40  14.497   4.721  -1.013
  314    H    GLU  41           H        GLU  41  14.503  -4.069   0.019
  315    HA   GLU  41           HA       GLU  41  13.702  -4.292  -2.713
  316   1HB   GLU  41          1HB       GLU  41  16.052  -4.500  -1.567
  317   2HB   GLU  41          2HB       GLU  41  15.603  -6.197  -1.342
  318   1HG   GLU  41          1HG       GLU  41  15.078  -6.184  -3.897
  319   2HG   GLU  41          2HG       GLU  41  15.871  -4.614  -3.942
  320    H    GLU  42           H        GLU  42  13.031  -6.255   0.162
  321    HA   GLU  42           HA       GLU  42  11.910  -8.513  -1.182
  322   1HB   GLU  42          1HB       GLU  42  12.389  -8.378   1.296
  323   2HB   GLU  42          2HB       GLU  42  11.042  -7.250   1.444
  324   1HG   GLU  42          1HG       GLU  42  10.170  -9.284   2.126
  325   2HG   GLU  42          2HG       GLU  42   9.512  -9.050   0.519
  326    H    MET  43           H        MET  43  10.447  -5.367  -0.161
  327    HA   MET  43           HA       MET  43   7.843  -5.890  -1.183
  328   1HB   MET  43          1HB       MET  43   8.314  -4.052   0.362
  329   2HB   MET  43          2HB       MET  43   9.313  -3.251  -0.837
  330   1HG   MET  43          1HG       MET  43   6.773  -3.717  -2.082
  331   2HG   MET  43          2HG       MET  43   6.460  -3.146  -0.465
  332   1HE   MET  43          1HE       MET  43   8.137  -2.369  -3.942
  333   2HE   MET  43          2HE       MET  43   8.775  -0.729  -3.708
  334   3HE   MET  43          3HE       MET  43   9.545  -2.098  -2.883
  335    H    ILE  44           H        ILE  44  10.819  -4.641  -2.786
  336    HA   ILE  44           HA       ILE  44   9.593  -4.058  -5.284
  337    HB   ILE  44           HB       ILE  44  12.455  -4.928  -4.730
  338   1HG1  ILE  44          1HG1      ILE  44  11.168  -2.179  -5.051
  339   2HG1  ILE  44          2HG1      ILE  44  11.792  -2.849  -3.576
  340   1HG2  ILE  44          2HG2      ILE  44  11.817  -5.287  -7.125
  341   2HG2  ILE  44          3HG2      ILE  44  11.313  -3.590  -7.223
  342   3HG2  ILE  44          1HG2      ILE  44  13.013  -4.016  -6.939
  343   1HD1  ILE  44          2HD1      ILE  44  14.098  -2.898  -4.559
  344   2HD1  ILE  44          3HD1      ILE  44  13.455  -2.010  -5.958
  345   3HD1  ILE  44          1HD1      ILE  44  13.396  -1.282  -4.350
  346    H    LYS  45           H        LYS  45  11.191  -7.133  -4.182
  347    HA   LYS  45           HA       LYS  45  10.420  -8.642  -6.472
  348   1HB   LYS  45          1HB       LYS  45  11.182  -9.352  -3.638
  349   2HB   LYS  45          2HB       LYS  45  10.371 -10.569  -4.620
  350   1HG   LYS  45          1HG       LYS  45  12.080 -10.198  -6.438
  351   2HG   LYS  45          2HG       LYS  45  12.985  -9.169  -5.308
  352   1HD   LYS  45          1HD       LYS  45  13.220 -11.081  -3.756
  353   2HD   LYS  45          2HD       LYS  45  12.162 -12.060  -4.773
  354   1HE   LYS  45          1HE       LYS  45  14.288 -12.825  -5.330
  355   2HE   LYS  45          2HE       LYS  45  13.830 -11.771  -6.667
  356   1HZ   LYS  45          1HZ       LYS  45  15.256 -10.041  -5.663
  357   2HZ   LYS  45          2HZ       LYS  45  15.679 -11.074  -4.458
  358   3HZ   LYS  45          3HZ       LYS  45  16.068 -11.408  -6.025
  359    H    ARG  46           H        ARG  46   8.642  -8.194  -3.410
  360    HA   ARG  46           HA       ARG  46   6.451  -9.831  -4.133
  361   1HB   ARG  46          1HB       ARG  46   7.049  -7.884  -1.962
  362   2HB   ARG  46          2HB       ARG  46   5.367  -7.912  -2.424
  363   1HG   ARG  46          1HG       ARG  46   5.119  -9.503  -0.962
  364   2HG   ARG  46          2HG       ARG  46   5.753 -10.555  -2.217
  365   1HD   ARG  46          1HD       ARG  46   8.057 -10.213  -1.195
  366   2HD   ARG  46          2HD       ARG  46   7.271  -9.311   0.119
  367    HE   ARG  46           HE       ARG  46   6.739 -12.110  -0.696
  368   1HH1  ARG  46          2HH2      ARG  46   6.802  -9.811   2.005
  369   2HH1  ARG  46          1HH2      ARG  46   6.037 -10.874   3.137
  370   1HH2  ARG  46          2HH1      ARG  46   5.921 -13.601   0.835
  371   2HH2  ARG  46          1HH1      ARG  46   5.502 -13.089   2.441
  372    H    SER  47           H        SER  47   7.218  -6.729  -5.423
  373    HA   SER  47           HA       SER  47   4.395  -6.477  -6.379
  374   1HB   SER  47          1HB       SER  47   4.835  -4.039  -6.482
  375   2HB   SER  47          2HB       SER  47   4.926  -4.697  -4.839
  376    HG   SER  47           HG       SER  47   7.160  -4.605  -4.944
  377    H    GLY  48           H        GLY  48   7.691  -6.772  -7.464
  378   1HA   GLY  48          1HA       GLY  48   8.608  -6.804  -9.548
  379   2HA   GLY  48          2HA       GLY  48   6.992  -6.748 -10.269
  380    H    ARG  49           H        ARG  49   7.840  -4.209  -7.905
  381    HA   ARG  49           HA       ARG  49   8.328  -2.255 -10.090
  382   1HB   ARG  49          1HB       ARG  49   6.193  -2.077  -7.906
  383   2HB   ARG  49          2HB       ARG  49   6.742  -0.707  -8.887
  384   1HG   ARG  49          1HG       ARG  49   5.879  -1.650 -10.897
  385   2HG   ARG  49          2HG       ARG  49   5.566  -3.224 -10.131
  386   1HD   ARG  49          1HD       ARG  49   3.906  -2.133  -8.627
  387   2HD   ARG  49          2HD       ARG  49   4.081  -0.633  -9.547
  388    HE   ARG  49           HE       ARG  49   2.650  -3.074 -10.280
  389   1HH1  ARG  49          2HH2      ARG  49   3.976  -0.044 -11.596
  390   2HH1  ARG  49          1HH2      ARG  49   3.215  -0.293 -13.152
  391   1HH2  ARG  49          2HH1      ARG  49   1.546  -3.249 -12.361
  392   2HH2  ARG  49          1HH1      ARG  49   1.743  -1.953 -13.478
  393    H    THR  50           H        THR  50   9.663  -0.542  -9.387
  394    HA   THR  50           HA       THR  50  10.979  -1.039  -6.776
  395    HB   THR  50           HB       THR  50  11.650   0.519  -9.228
  396    HG1  THR  50           HG1      THR  50  12.291  -1.671  -8.897
  397   1HG2  THR  50          2HG2      THR  50  13.032   0.783  -6.512
  398   2HG2  THR  50          3HG2      THR  50  13.680   1.394  -8.038
  399   3HG2  THR  50          1HG2      THR  50  12.209   2.101  -7.383
  400    H    THR  51           H        THR  51   8.589   1.147  -8.320
  401    HA   THR  51           HA       THR  51   9.142   3.255  -6.450
  402    HB   THR  51           HB       THR  51   6.943   4.198  -7.368
  403    HG1  THR  51           HG1      THR  51   6.276   1.934  -7.889
  404   1HG2  THR  51          3HG2      THR  51   9.293   4.552  -8.401
  405   2HG2  THR  51          1HG2      THR  51   8.843   3.332  -9.590
  406   3HG2  THR  51          2HG2      THR  51   7.889   4.828  -9.435
  407    H    VAL  52           H        VAL  52   8.108   3.854  -4.655
  408    HA   VAL  52           HA       VAL  52   6.155   1.995  -3.443
  409    HB   VAL  52           HB       VAL  52   6.745   2.906  -1.379
  410   1HG1  VAL  52          2HG1      VAL  52   8.397   1.335  -2.277
  411   2HG1  VAL  52          3HG1      VAL  52   9.359   2.704  -2.910
  412   3HG1  VAL  52          1HG1      VAL  52   9.145   2.508  -1.171
  413   1HG2  VAL  52          1HG2      VAL  52   6.934   5.288  -1.778
  414   2HG2  VAL  52          2HG2      VAL  52   8.300   4.659  -0.874
  415   3HG2  VAL  52          3HG2      VAL  52   8.517   5.007  -2.597
  416    HA   PRO  53           HA       PRO  53   4.787   2.608  -1.258
  417   1HB   PRO  53          1HB       PRO  53   2.187   2.685  -0.672
  418   2HB   PRO  53          2HB       PRO  53   3.263   4.062  -0.279
  419   1HG   PRO  53          1HG       PRO  53   1.420   3.737  -2.636
  420   2HG   PRO  53          2HG       PRO  53   1.628   5.170  -1.558
  421   1HD   PRO  53          1HD       PRO  53   2.861   4.933  -3.997
  422   2HD   PRO  53          2HD       PRO  53   3.553   5.855  -2.630
  423    H    GLN  54           H        GLN  54   3.493   0.535  -0.970
  424    HA   GLN  54           HA       GLN  54   2.324  -0.563  -3.427
  425   1HB   GLN  54          1HB       GLN  54   4.671  -1.791  -1.898
  426   2HB   GLN  54          2HB       GLN  54   3.607  -2.733  -2.928
  427   1HG   GLN  54          1HG       GLN  54   5.340  -0.403  -3.867
  428   2HG   GLN  54          2HG       GLN  54   5.670  -2.118  -4.124
  429   1HE2  GLN  54          2HE2      GLN  54   3.561  -0.378  -6.942
  430   2HE2  GLN  54          1HE2      GLN  54   4.940   0.271  -6.011
  431    H    ILE  55           H        ILE  55   0.600  -2.095  -2.791
  432    HA   ILE  55           HA       ILE  55   0.253  -2.235   0.114
  433    HB   ILE  55           HB       ILE  55  -1.877  -1.517  -1.939
  434   1HG1  ILE  55          1HG1      ILE  55  -1.928   0.476  -0.054
  435   2HG1  ILE  55          2HG1      ILE  55  -0.230   0.084   0.005
  436   1HG2  ILE  55          3HG2      ILE  55  -2.071  -1.923   1.083
  437   2HG2  ILE  55          1HG2      ILE  55  -3.381  -1.350   0.034
  438   3HG2  ILE  55          2HG2      ILE  55  -2.769  -2.981  -0.157
  439   1HD1  ILE  55          3HD1      ILE  55  -0.062   0.559  -2.459
  440   2HD1  ILE  55          1HD1      ILE  55  -1.792   0.943  -2.461
  441   3HD1  ILE  55          2HD1      ILE  55  -0.665   1.938  -1.528
  442    H    PHE  56           H        PHE  56  -0.675  -4.085   0.788
  443    HA   PHE  56           HA       PHE  56  -1.094  -6.292  -1.101
  444   1HB   PHE  56          1HB       PHE  56   0.550  -6.375   1.481
  445   2HB   PHE  56          2HB       PHE  56   0.100  -7.772   0.492
  446    HD1  PHE  56           HD2      PHE  56   1.125  -8.172  -1.708
  447    HD2  PHE  56           HD1      PHE  56   2.269  -4.791   0.702
  448    HE1  PHE  56           HE2      PHE  56   2.972  -7.679  -3.266
  449    HE2  PHE  56           HE1      PHE  56   4.137  -4.298  -0.869
  450    HZ   PHE  56           HZ       PHE  56   4.460  -5.718  -2.889
  451    H    ILE  57           H        ILE  57  -2.914  -7.492  -0.443
  452    HA   ILE  57           HA       ILE  57  -4.203  -6.810   2.138
  453    HB   ILE  57           HB       ILE  57  -5.614  -6.723  -0.570
  454   1HG1  ILE  57          1HG1      ILE  57  -4.802  -4.554   1.398
  455   2HG1  ILE  57          2HG1      ILE  57  -4.306  -4.722  -0.270
  456   1HG2  ILE  57          1HG2      ILE  57  -6.649  -6.484   2.298
  457   2HG2  ILE  57          2HG2      ILE  57  -7.611  -6.088   0.856
  458   3HG2  ILE  57          3HG2      ILE  57  -7.047  -7.728   1.115
  459   1HD1  ILE  57          2HD1      ILE  57  -6.701  -4.305  -0.972
  460   2HD1  ILE  57          3HD1      ILE  57  -7.032  -3.898   0.730
  461   3HD1  ILE  57          1HD1      ILE  57  -5.864  -2.943  -0.189
  462    H    ASP  58           H        ASP  58  -4.770  -8.737   3.106
  463    HA   ASP  58           HA       ASP  58  -4.507 -11.011   3.410
  464   1HB   ASP  58          1HB       ASP  58  -6.565 -10.644   1.269
  465   2HB   ASP  58          2HB       ASP  58  -6.345 -12.176   2.134
  466    H    ALA  59           H        ALA  59  -2.488 -10.207   2.114
  467    HA   ALA  59           HA       ALA  59  -0.566 -10.771   1.093
  468   1HB   ALA  59          1HB       ALA  59  -1.001 -12.920   2.241
  469   2HB   ALA  59          2HB       ALA  59  -1.664 -13.553   0.720
  470   3HB   ALA  59          3HB       ALA  59   0.041 -13.043   0.815
  471    H    GLN  60           H        GLN  60  -3.331 -10.530  -0.704
  472    HA   GLN  60           HA       GLN  60  -2.192 -11.159  -3.330
  473   1HB   GLN  60          1HB       GLN  60  -4.683  -9.628  -2.442
  474   2HB   GLN  60          2HB       GLN  60  -4.246  -9.932  -4.113
  475   1HG   GLN  60          1HG       GLN  60  -4.863 -12.112  -4.062
  476   2HG   GLN  60          2HG       GLN  60  -4.294 -12.391  -2.430
  477   1HE2  GLN  60          2HE2      GLN  60  -7.425 -11.751  -0.887
  478   2HE2  GLN  60          1HE2      GLN  60  -5.690 -11.761  -0.591
  479    H    HIS  61           H        HIS  61  -1.338  -9.609  -4.710
  480    HA   HIS  61           HA       HIS  61  -0.306  -7.139  -3.399
  481   1HB   HIS  61          1HB       HIS  61   1.293  -8.510  -4.657
  482   2HB   HIS  61          2HB       HIS  61   0.237  -8.523  -6.067
  483    HD1  HIS  61           HD1      HIS  61   1.528  -7.220  -7.833
  484    HD2  HIS  61           HD2      HIS  61   1.452  -5.380  -4.008
  485    HE1  HIS  61           HE1      HIS  61   2.646  -4.910  -8.084
  486    HE2  HIS  61           HE2      HIS  61   2.530  -3.770  -5.794
  487    H    ILE  62           H        ILE  62  -0.956  -5.068  -4.039
  488    HA   ILE  62           HA       ILE  62  -3.276  -4.901  -5.819
  489    HB   ILE  62           HB       ILE  62  -1.854  -2.678  -4.312
  490   1HG1  ILE  62          1HG1      ILE  62  -2.583  -4.136  -2.631
  491   2HG1  ILE  62          2HG1      ILE  62  -3.762  -2.866  -2.706
  492   1HG2  ILE  62          3HG2      ILE  62  -4.560  -2.822  -5.693
  493   2HG2  ILE  62          1HG2      ILE  62  -4.065  -1.518  -4.600
  494   3HG2  ILE  62          2HG2      ILE  62  -3.200  -1.776  -6.117
  495   1HD1  ILE  62          2HD1      ILE  62  -5.291  -4.364  -4.039
  496   2HD1  ILE  62          3HD1      ILE  62  -4.128  -5.687  -3.807
  497   3HD1  ILE  62          1HD1      ILE  62  -4.936  -4.970  -2.422
  498    H    GLY  63           H        GLY  63  -0.372  -2.804  -5.734
  499   1HA   GLY  63          1HA       GLY  63   0.844  -3.168  -8.138
  500   2HA   GLY  63          2HA       GLY  63  -0.624  -2.305  -8.595
  501    H    GLY  64           H        GLY  64  -0.916  -0.565  -6.300
  502   1HA   GLY  64          1HA       GLY  64   1.319   0.806  -5.382
  503   2HA   GLY  64          2HA       GLY  64   0.951   1.425  -6.994
  504    H    TYR  65           H        TYR  65   0.504   3.382  -5.790
  505    HA   TYR  65           HA       TYR  65  -1.650   3.624  -3.842
  506   1HB   TYR  65          1HB       TYR  65   0.280   5.162  -3.785
  507   2HB   TYR  65          2HB       TYR  65   0.005   5.587  -5.447
  508    HD1  TYR  65           HD2      TYR  65  -3.119   5.554  -3.428
  509    HD2  TYR  65           HD1      TYR  65   0.411   7.805  -4.447
  510    HE1  TYR  65           HE2      TYR  65  -4.297   7.638  -2.935
  511    HE2  TYR  65           HE1      TYR  65  -0.756   9.887  -3.982
  512    HH   TYR  65           HH       TYR  65  -2.964  10.750  -3.962
  513    H    ASP  66           H        ASP  66  -1.264   4.905  -7.242
  514    HA   ASP  66           HA       ASP  66  -3.946   5.769  -7.447
  515   1HB   ASP  66          1HB       ASP  66  -1.874   4.971  -9.513
  516   2HB   ASP  66          2HB       ASP  66  -3.516   5.413  -9.979
  517    H    ASP  67           H        ASP  67  -2.436   2.631  -8.070
  518    HA   ASP  67           HA       ASP  67  -4.670   1.309  -9.266
  519   1HB   ASP  67          1HB       ASP  67  -2.463   0.126  -7.532
  520   2HB   ASP  67          2HB       ASP  67  -3.611  -0.802  -8.493
  521    H    LEU  68           H        LEU  68  -3.588   1.562  -5.800
  522    HA   LEU  68           HA       LEU  68  -5.858   0.085  -4.819
  523   1HB   LEU  68          1HB       LEU  68  -3.798   0.464  -3.436
  524   2HB   LEU  68          2HB       LEU  68  -4.212   2.176  -3.333
  525    HG   LEU  68           HG       LEU  68  -6.451   1.482  -2.268
  526   1HD1  LEU  68          1HD1      LEU  68  -5.050  -1.219  -2.169
  527   2HD1  LEU  68          2HD1      LEU  68  -6.470  -0.789  -1.220
  528   3HD1  LEU  68          3HD1      LEU  68  -6.594  -0.857  -2.977
  529   1HD2  LEU  68          2HD2      LEU  68  -4.590   2.312  -0.924
  530   2HD2  LEU  68          3HD2      LEU  68  -5.611   1.130  -0.097
  531   3HD2  LEU  68          1HD2      LEU  68  -4.023   0.639  -0.723
  532    H    TYR  69           H        TYR  69  -5.255   3.537  -5.251
  533    HA   TYR  69           HA       TYR  69  -7.508   4.627  -4.013
  534   1HB   TYR  69          1HB       TYR  69  -5.569   5.923  -4.961
  535   2HB   TYR  69          2HB       TYR  69  -6.177   5.627  -6.579
  536    HD1  TYR  69           HD1      TYR  69  -8.612   6.466  -7.136
  537    HD2  TYR  69           HD2      TYR  69  -6.284   7.868  -3.789
  538    HE1  TYR  69           HE1      TYR  69 -10.093   8.406  -6.916
  539    HE2  TYR  69           HE2      TYR  69  -7.774   9.808  -3.550
  540    HH   TYR  69           HH       TYR  69 -10.651  10.245  -5.679
  541    H    ALA  70           H        ALA  70  -7.143   3.517  -7.388
  542    HA   ALA  70           HA       ALA  70  -9.877   4.067  -8.133
  543   1HB   ALA  70          3HB       ALA  70  -7.996   3.846  -9.741
  544   2HB   ALA  70          1HB       ALA  70  -7.859   2.122  -9.338
  545   3HB   ALA  70          2HB       ALA  70  -9.341   2.740 -10.110
  546    H    LEU  71           H        LEU  71  -8.143   1.205  -6.863
  547    HA   LEU  71           HA       LEU  71 -10.252  -0.686  -7.080
  548   1HB   LEU  71          1HB       LEU  71  -7.677  -0.832  -6.351
  549   2HB   LEU  71          2HB       LEU  71  -8.341  -0.726  -4.747
  550    HG   LEU  71           HG       LEU  71  -9.104  -2.785  -6.864
  551   1HD1  LEU  71          2HD1      LEU  71  -6.773  -3.012  -6.133
  552   2HD1  LEU  71          3HD1      LEU  71  -7.303  -3.028  -4.427
  553   3HD1  LEU  71          1HD1      LEU  71  -7.758  -4.355  -5.523
  554   1HD2  LEU  71          3HD2      LEU  71  -9.735  -2.674  -3.950
  555   2HD2  LEU  71          1HD2      LEU  71 -10.890  -2.616  -5.322
  556   3HD2  LEU  71          2HD2      LEU  71 -10.000  -4.096  -4.986
  557    H    ASP  72           H        ASP  72  -9.369   1.647  -4.522
  558    HA   ASP  72           HA       ASP  72 -11.413   0.722  -2.720
  559   1HB   ASP  72          1HB       ASP  72  -9.182   1.918  -2.196
  560   2HB   ASP  72          2HB       ASP  72 -10.005   3.407  -2.624
  561    H    ALA  73           H        ALA  73 -11.139   3.410  -5.046
  562    HA   ALA  73           HA       ALA  73 -13.701   4.553  -4.433
  563   1HB   ALA  73          2HB       ALA  73 -11.856   5.837  -5.505
  564   2HB   ALA  73          3HB       ALA  73 -12.016   4.819  -6.955
  565   3HB   ALA  73          1HB       ALA  73 -13.350   5.884  -6.456
  566    H    ARG  74           H        ARG  74 -12.747   1.924  -6.515
  567    HA   ARG  74           HA       ARG  74 -15.343   1.696  -7.788
  568   1HB   ARG  74          1HB       ARG  74 -14.537  -0.057  -8.899
  569   2HB   ARG  74          2HB       ARG  74 -13.043   0.727  -8.534
  570   1HG   ARG  74          1HG       ARG  74 -12.258  -1.194  -7.711
  571   2HG   ARG  74          2HG       ARG  74 -13.430  -1.150  -6.433
  572   1HD   ARG  74          1HD       ARG  74 -14.149  -2.339  -9.121
  573   2HD   ARG  74          2HD       ARG  74 -13.247  -3.240  -7.900
  574    HE   ARG  74           HE       ARG  74 -15.768  -1.980  -7.031
  575   1HH1  ARG  74          2HH2      ARG  74 -14.335  -5.003  -8.180
  576   2HH1  ARG  74          1HH2      ARG  74 -15.363  -6.023  -7.219
  577   1HH2  ARG  74          2HH1      ARG  74 -17.277  -3.283  -5.952
  578   2HH2  ARG  74          1HH1      ARG  74 -17.194  -5.008  -6.118
  579    H    GLY  75           H        GLY  75 -14.371   1.173  -4.606
  580   1HA   GLY  75          1HA       GLY  75 -15.496   0.297  -2.805
  581   2HA   GLY  75          2HA       GLY  75 -16.838  -0.148  -3.862
  582    H    GLY  76           H        GLY  76 -13.394  -1.222  -4.418
  583   1HA   GLY  76          1HA       GLY  76 -14.380  -4.020  -4.164
  584   2HA   GLY  76          2HA       GLY  76 -13.177  -3.429  -5.307
  585    H    LEU  77           H        LEU  77 -12.176  -1.662  -2.846
  586    HA   LEU  77           HA       LEU  77 -10.210  -3.571  -1.873
  587   1HB   LEU  77          1HB       LEU  77  -9.809  -1.095  -2.079
  588   2HB   LEU  77          2HB       LEU  77 -10.950  -0.807  -0.787
  589    HG   LEU  77           HG       LEU  77  -8.226  -2.069  -0.623
  590   1HD1  LEU  77          1HD1      LEU  77  -8.512   0.406  -0.622
  591   2HD1  LEU  77          2HD1      LEU  77  -9.586   0.270   0.782
  592   3HD1  LEU  77          3HD1      LEU  77  -7.876  -0.189   0.920
  593   1HD2  LEU  77          1HD2      LEU  77 -10.274  -2.046   1.635
  594   2HD2  LEU  77          2HD2      LEU  77  -9.316  -3.426   1.026
  595   3HD2  LEU  77          3HD2      LEU  77  -8.520  -2.146   1.897
  596    H    ASP  78           H        ASP  78 -13.152  -1.967  -0.665
  597    HA   ASP  78           HA       ASP  78 -13.065  -2.866   1.966
  598   1HB   ASP  78          1HB       ASP  78 -14.701  -1.249   1.501
  599   2HB   ASP  78          2HB       ASP  78 -15.432  -2.195   0.199
  600    HA   PRO  79           HA       PRO  79 -15.319  -6.960   0.987
  601   1HB   PRO  79          1HB       PRO  79 -15.398  -7.954  -1.586
  602   2HB   PRO  79          2HB       PRO  79 -16.672  -6.944  -0.836
  603   1HG   PRO  79          1HG       PRO  79 -14.404  -6.044  -2.631
  604   2HG   PRO  79          2HG       PRO  79 -16.150  -5.638  -2.762
  605   1HD   PRO  79          1HD       PRO  79 -14.457  -3.932  -1.582
  606   2HD   PRO  79          2HD       PRO  79 -16.064  -4.223  -0.874
  607    H    LEU  80           H        LEU  80 -12.273  -5.968  -0.441
  608    HA   LEU  80           HA       LEU  80 -11.089  -8.664  -0.203
  609   1HB   LEU  80          1HB       LEU  80  -9.891  -5.970  -0.905
  610   2HB   LEU  80          2HB       LEU  80  -8.938  -7.416  -0.645
  611    HG   LEU  80           HG       LEU  80 -11.125  -7.302  -2.753
  612   1HD1  LEU  80          3HD1      LEU  80  -9.438  -5.557  -3.195
  613   2HD1  LEU  80          1HD1      LEU  80  -8.138  -6.749  -3.031
  614   3HD1  LEU  80          2HD1      LEU  80  -9.308  -6.872  -4.369
  615   1HD2  LEU  80          2HD2      LEU  80  -8.706  -9.140  -2.379
  616   2HD2  LEU  80          3HD2      LEU  80 -10.395  -9.587  -2.083
  617   3HD2  LEU  80          1HD2      LEU  80  -9.863  -9.203  -3.722
  618    H    LEU  81           H        LEU  81 -11.664  -5.815   1.780
  619    HA   LEU  81           HA       LEU  81  -9.539  -6.291   3.665
  620   1HB   LEU  81          1HB       LEU  81 -10.641  -4.118   3.417
  621   2HB   LEU  81          2HB       LEU  81 -12.172  -4.792   3.918
  622    HG   LEU  81           HG       LEU  81 -11.181  -3.386   5.593
  623   1HD1  LEU  81          3HD1      LEU  81 -12.638  -5.404   6.225
  624   2HD1  LEU  81          1HD1      LEU  81 -11.151  -6.123   6.862
  625   3HD1  LEU  81          2HD1      LEU  81 -11.741  -4.568   7.483
  626   1HD2  LEU  81          3HD2      LEU  81  -8.846  -3.725   5.258
  627   2HD2  LEU  81          1HD2      LEU  81  -9.244  -4.075   6.937
  628   3HD2  LEU  81          2HD2      LEU  81  -8.940  -5.418   5.810
  629    H    LYS  82           H        LYS  82 -13.050  -7.070   3.725
  630    HA   LYS  82           HA       LYS  82 -13.591  -7.816   6.078
  631   1HB   LYS  82          1HB       LYS  82 -15.326  -9.181   5.301
  632   2HB   LYS  82          2HB       LYS  82 -15.056  -7.926   4.103
  633   1HG   LYS  82          1HG       LYS  82 -13.667  -9.615   2.801
  634   2HG   LYS  82          2HG       LYS  82 -14.227 -10.839   3.957
  635   1HD   LYS  82          1HD       LYS  82 -16.503 -10.597   3.306
  636   2HD   LYS  82          2HD       LYS  82 -16.140  -9.182   2.303
  637   1HE   LYS  82          1HE       LYS  82 -16.460 -11.309   1.003
  638   2HE   LYS  82          2HE       LYS  82 -14.942 -10.466   0.698
  639   1HZ   LYS  82          1HZ       LYS  82 -15.205 -12.796   2.487
  640   2HZ   LYS  82          2HZ       LYS  82 -14.668 -12.833   0.912
  641   3HZ   LYS  82          3HZ       LYS  82 -13.801 -12.045   2.072
  642   1HB2  GTT  83          1HB2      GTT  83   7.004   6.385  -3.592
  643   2HB2  GTT  83          2HB2      GTT  83   8.431   7.217  -2.985
  644    HA2  GTT  83           HA2      GTT  83   8.461   8.522  -5.175
  645    HN2  GTT  83           HN2      GTT  83   6.755   6.444  -6.287
  646   1HG1  GTT  83          1HG1      GTT  83   4.332   8.269  -7.714
  647   2HG1  GTT  83          2HG1      GTT  83   5.359   6.806  -7.836
  648   1HB1  GTT  83          1HB1      GTT  83   7.013   8.061  -9.184
  649   2HB1  GTT  83          2HB1      GTT  83   6.099   9.552  -8.932
  650    HA1  GTT  83           HA1      GTT  83   4.117   8.418 -10.095
  651   1HN1  GTT  83          1HN1      GTT  83   4.775   6.751 -11.656
  652   2HN1  GTT  83          2HN1      GTT  83   6.275   6.721 -11.099
  653   3HN1  GTT  83          3HN1      GTT  83   5.039   6.156 -10.125
  654    HN3  GTT  83           HN3      GTT  83  10.436   7.119  -4.219
  655   1HA3  GTT  83          1HA3      GTT  83  10.580   4.344  -5.030
  656   2HA3  GTT  83          2HA3      GTT  83  11.617   5.415  -5.995
   
  No H/Q in entry =         656
  Start of MODEL   20
    1   1H    ALA   1          3H        ALA   1  -7.933 -10.497   7.442
    2   2H    ALA   1          1H        ALA   1  -8.851  -9.304   8.080
    3   3H    ALA   1          2H        ALA   1  -9.413 -10.151   6.777
    4    HA   ALA   1           HA       ALA   1  -7.730  -9.323   5.393
    5   1HB   ALA   1          3HB       ALA   1  -9.829  -7.970   5.671
    6   2HB   ALA   1          1HB       ALA   1  -8.980  -6.994   6.890
    7   3HB   ALA   1          2HB       ALA   1  -8.408  -7.007   5.210
    8    H    ASN   2           H        ASN   2  -5.766  -8.436   5.092
    9    HA   ASN   2           HA       ASN   2  -4.150  -7.394   7.377
   10   1HB   ASN   2          1HB       ASN   2  -3.861  -9.838   7.226
   11   2HB   ASN   2          2HB       ASN   2  -3.432  -9.720   5.532
   12   1HD2  ASN   2          2HD2      ASN   2  -0.093  -8.381   6.272
   13   2HD2  ASN   2          1HD2      ASN   2  -1.436  -8.081   5.175
   14    H    VAL   3           H        VAL   3  -4.725  -5.429   6.197
   15    HA   VAL   3           HA       VAL   3  -3.613  -4.989   3.527
   16    HB   VAL   3           HB       VAL   3  -4.682  -2.945   5.495
   17   1HG1  VAL   3          3HG1      VAL   3  -3.356  -1.939   3.701
   18   2HG1  VAL   3          1HG1      VAL   3  -4.326  -2.775   2.482
   19   3HG1  VAL   3          2HG1      VAL   3  -5.066  -1.539   3.518
   20   1HG2  VAL   3          3HG2      VAL   3  -6.236  -4.523   3.424
   21   2HG2  VAL   3          1HG2      VAL   3  -6.502  -4.453   5.172
   22   3HG2  VAL   3          2HG2      VAL   3  -6.801  -3.024   4.184
   23    H    GLU   4           H        GLU   4  -1.433  -4.491   3.244
   24    HA   GLU   4           HA       GLU   4  -0.034  -3.097   5.461
   25   1HB   GLU   4          1HB       GLU   4   1.879  -4.315   3.628
   26   2HB   GLU   4          2HB       GLU   4   1.781  -4.313   5.362
   27   1HG   GLU   4          1HG       GLU   4   0.384  -6.274   5.411
   28   2HG   GLU   4          2HG       GLU   4   0.263  -6.296   3.641
   29    H    ILE   5           H        ILE   5   1.223  -1.266   4.733
   30    HA   ILE   5           HA       ILE   5   1.110  -0.611   1.854
   31    HB   ILE   5           HB       ILE   5  -0.673   0.687   2.590
   32   1HG1  ILE   5          1HG1      ILE   5   1.731   2.554   2.598
   33   2HG1  ILE   5          2HG1      ILE   5   1.137   1.778   1.151
   34   1HG2  ILE   5          3HG2      ILE   5  -0.181   0.622   5.082
   35   2HG2  ILE   5          1HG2      ILE   5   0.955   1.960   4.819
   36   3HG2  ILE   5          2HG2      ILE   5  -0.766   2.166   4.468
   37   1HD1  ILE   5          3HD1      ILE   5  -0.469   3.739   2.854
   38   2HD1  ILE   5          1HD1      ILE   5   0.401   4.127   1.369
   39   3HD1  ILE   5          2HD1      ILE   5  -0.977   3.015   1.312
   40    H    TYR   6           H        TYR   6   3.078  -0.614   1.194
   41    HA   TYR   6           HA       TYR   6   5.387  -0.306   2.951
   42   1HB   TYR   6          1HB       TYR   6   5.054  -0.810  -0.031
   43   2HB   TYR   6          2HB       TYR   6   6.614  -0.623   0.764
   44    HD1  TYR   6           HD2      TYR   6   3.448  -2.699   0.960
   45    HD2  TYR   6           HD1      TYR   6   7.694  -2.505   1.705
   46    HE1  TYR   6           HE2      TYR   6   3.383  -4.956   1.887
   47    HE2  TYR   6           HE1      TYR   6   7.651  -4.824   2.540
   48    HH   TYR   6           HH       TYR   6   4.552  -6.551   3.111
   49    H    THR   7           H        THR   7   6.642   1.581   3.106
   50    HA   THR   7           HA       THR   7   5.940   3.938   1.429
   51    HB   THR   7           HB       THR   7   5.640   5.265   3.510
   52    HG1  THR   7           HG1      THR   7   5.534   2.757   4.811
   53   1HG2  THR   7          2HG2      THR   7   3.598   4.292   2.381
   54   2HG2  THR   7          3HG2      THR   7   3.677   2.959   3.546
   55   3HG2  THR   7          1HG2      THR   7   3.424   4.607   4.124
   56    H    LYS   8           H        LYS   8   7.519   5.783   1.866
   57    HA   LYS   8           HA       LYS   8   9.827   4.999   3.445
   58   1HB   LYS   8          1HB       LYS   8  11.508   5.604   1.972
   59   2HB   LYS   8          2HB       LYS   8  10.414   4.657   0.981
   60   1HG   LYS   8          1HG       LYS   8   9.447   6.816   0.118
   61   2HG   LYS   8          2HG       LYS   8  10.788   7.647   0.921
   62   1HD   LYS   8          1HD       LYS   8  11.462   5.327  -0.906
   63   2HD   LYS   8          2HD       LYS   8  10.892   6.812  -1.624
   64   1HE   LYS   8          1HE       LYS   8  13.233   6.873  -1.671
   65   2HE   LYS   8          2HE       LYS   8  12.664   8.112  -0.548
   66   1HZ   LYS   8          1HZ       LYS   8  13.700   5.460   0.298
   67   2HZ   LYS   8          2HZ       LYS   8  14.615   6.829   0.196
   68   3HZ   LYS   8          3HZ       LYS   8  13.415   6.735   1.288
   69    H    GLU   9           H        GLU   9  10.890   7.348   4.092
   70    HA   GLU   9           HA       GLU   9   8.627   9.018   4.726
   71   1HB   GLU   9          1HB       GLU   9  10.587   8.486   6.274
   72   2HB   GLU   9          2HB       GLU   9  11.540   9.601   5.299
   73   1HG   GLU   9          1HG       GLU   9  10.569  10.468   7.487
   74   2HG   GLU   9          2HG       GLU   9  10.361  11.469   6.063
   75    H    THR  10           H        THR  10   9.072  11.511   4.499
   76    HA   THR  10           HA       THR  10   9.033  13.302   3.142
   77    HB   THR  10           HB       THR  10  11.226  13.256   3.987
   78    HG1  THR  10           HG1      THR  10  11.706  14.070   1.383
   79   1HG2  THR  10          3HG2      THR  10  12.085  11.617   1.590
   80   2HG2  THR  10          1HG2      THR  10  13.205  12.565   2.591
   81   3HG2  THR  10          2HG2      THR  10  12.279  11.250   3.312
   82    H    CYS  11           H        CYS  11   7.477  11.502   2.086
   83    HA   CYS  11           HA       CYS  11   7.851  11.545  -0.864
   84   1HB   CYS  11          1HB       CYS  11   8.638   9.390  -0.046
   85   2HB   CYS  11          2HB       CYS  11   7.194   9.195   0.942
   86    HA   PRO  12           HA       PRO  12   3.831  13.156   0.592
   87   1HB   PRO  12          1HB       PRO  12   3.111  14.637  -1.530
   88   2HB   PRO  12          2HB       PRO  12   4.275  15.216  -0.294
   89   1HG   PRO  12          1HG       PRO  12   4.889  13.992  -3.005
   90   2HG   PRO  12          2HG       PRO  12   5.624  15.443  -2.256
   91   1HD   PRO  12          1HD       PRO  12   6.833  13.001  -2.141
   92   2HD   PRO  12          2HD       PRO  12   6.897  14.121  -0.743
   93    H    TYR  13           H        TYR  13   4.359  11.653  -2.639
   94    HA   TYR  13           HA       TYR  13   1.665  10.900  -3.178
   95   1HB   TYR  13          1HB       TYR  13   3.864  10.810  -4.626
   96   2HB   TYR  13          2HB       TYR  13   4.243   9.338  -3.774
   97    HD1  TYR  13           HD2      TYR  13   1.431  10.916  -5.765
   98    HD2  TYR  13           HD1      TYR  13   3.739   7.369  -4.920
   99    HE1  TYR  13           HE2      TYR  13   0.197   9.697  -7.525
  100    HE2  TYR  13           HE1      TYR  13   2.483   6.131  -6.658
  101    HH   TYR  13           HH       TYR  13  -0.325   7.577  -8.323
  102    H    SER  14           H        SER  14   4.176   9.372  -1.120
  103    HA   SER  14           HA       SER  14   2.544   7.107  -0.368
  104   1HB   SER  14          1HB       SER  14   4.940   6.986  -0.162
  105   2HB   SER  14          2HB       SER  14   4.977   8.406   0.899
  106    HG   SER  14           HG       SER  14   4.726   7.174   2.467
  107    H    HIS  15           H        HIS  15   3.116  10.397   1.096
  108    HA   HIS  15           HA       HIS  15   1.525   9.725   3.440
  109   1HB   HIS  15          1HB       HIS  15   2.521  12.333   2.279
  110   2HB   HIS  15          2HB       HIS  15   1.337  12.311   3.570
  111    HD1  HIS  15           HD1      HIS  15   2.287  12.321   5.950
  112    HD2  HIS  15           HD2      HIS  15   4.907  10.680   3.047
  113    HE1  HIS  15           HE1      HIS  15   4.532  11.880   7.118
  114    HE2  HIS  15           HE2      HIS  15   6.128  10.925   5.381
  115    H    ARG  16           H        ARG  16   0.714  11.318   0.385
  116    HA   ARG  16           HA       ARG  16  -2.027  11.799   0.664
  117   1HB   ARG  16          1HB       ARG  16  -0.119  11.054  -1.548
  118   2HB   ARG  16          2HB       ARG  16  -1.792  10.919  -1.899
  119   1HG   ARG  16          1HG       ARG  16  -2.238  13.241  -1.413
  120   2HG   ARG  16          2HG       ARG  16  -0.570  13.467  -0.826
  121   1HD   ARG  16          1HD       ARG  16   0.324  12.901  -3.055
  122   2HD   ARG  16          2HD       ARG  16  -1.298  12.504  -3.635
  123    HE   ARG  16           HE       ARG  16  -1.648  14.648  -4.134
  124   1HH1  ARG  16          2HH2      ARG  16   0.737  14.722  -1.525
  125   2HH1  ARG  16          1HH2      ARG  16   1.252  16.346  -1.832
  126   1HH2  ARG  16          2HH1      ARG  16  -0.910  16.687  -4.651
  127   2HH2  ARG  16          1HH1      ARG  16   0.362  17.469  -3.737
  128    H    ALA  17           H        ALA  17  -0.495   8.664  -0.431
  129    HA   ALA  17           HA       ALA  17  -2.953   7.346  -0.598
  130   1HB   ALA  17          2HB       ALA  17  -0.824   6.508  -1.549
  131   2HB   ALA  17          3HB       ALA  17  -0.257   6.117   0.091
  132   3HB   ALA  17          1HB       ALA  17  -1.658   5.265  -0.593
  133    H    LYS  18           H        LYS  18  -1.150   8.022   2.296
  134    HA   LYS  18           HA       LYS  18  -2.646   6.062   3.918
  135   1HB   LYS  18          1HB       LYS  18  -0.718   8.323   4.584
  136   2HB   LYS  18          2HB       LYS  18  -1.789   7.673   5.819
  137   1HG   LYS  18          1HG       LYS  18   0.018   6.344   6.114
  138   2HG   LYS  18          2HG       LYS  18  -1.011   5.345   5.111
  139   1HD   LYS  18          1HD       LYS  18   1.119   5.032   4.221
  140   2HD   LYS  18          2HD       LYS  18   0.329   6.095   3.084
  141   1HE   LYS  18          1HE       LYS  18   2.745   6.608   3.598
  142   2HE   LYS  18          2HE       LYS  18   1.623   7.954   3.731
  143   1HZ   LYS  18          2HZ       LYS  18   2.299   6.461   6.144
  144   2HZ   LYS  18          3HZ       LYS  18   3.374   7.563   5.594
  145   3HZ   LYS  18          1HZ       LYS  18   1.841   8.028   5.989
  146    H    ALA  19           H        ALA  19  -2.943   9.574   3.266
  147    HA   ALA  19           HA       ALA  19  -5.320   9.887   4.864
  148   1HB   ALA  19          2HB       ALA  19  -4.394  11.410   2.381
  149   2HB   ALA  19          3HB       ALA  19  -5.765  11.856   3.414
  150   3HB   ALA  19          1HB       ALA  19  -4.136  11.861   4.089
  151    H    LEU  20           H        LEU  20  -4.758   8.589   1.608
  152    HA   LEU  20           HA       LEU  20  -7.556   8.516   0.871
  153   1HB   LEU  20          1HB       LEU  20  -5.899   8.232  -0.819
  154   2HB   LEU  20          2HB       LEU  20  -5.161   6.868  -0.049
  155    HG   LEU  20           HG       LEU  20  -6.517   6.448  -2.151
  156   1HD1  LEU  20          1HD1      LEU  20  -5.776   4.625  -0.607
  157   2HD1  LEU  20          2HD1      LEU  20  -7.422   4.640   0.083
  158   3HD1  LEU  20          3HD1      LEU  20  -7.177   4.279  -1.627
  159   1HD2  LEU  20          2HD2      LEU  20  -8.811   6.829  -0.257
  160   2HD2  LEU  20          3HD2      LEU  20  -8.486   7.678  -1.771
  161   3HD2  LEU  20          1HD2      LEU  20  -8.921   5.933  -1.762
  162    H    LEU  21           H        LEU  21  -5.447   5.985   2.181
  163    HA   LEU  21           HA       LEU  21  -7.482   4.064   2.592
  164   1HB   LEU  21          1HB       LEU  21  -4.800   4.577   3.889
  165   2HB   LEU  21          2HB       LEU  21  -5.834   3.287   4.485
  166    HG   LEU  21           HG       LEU  21  -5.525   3.405   1.505
  167   1HD1  LEU  21          3HD1      LEU  21  -3.262   3.889   2.204
  168   2HD1  LEU  21          1HD1      LEU  21  -3.254   2.448   3.242
  169   3HD1  LEU  21          2HD1      LEU  21  -3.407   2.306   1.459
  170   1HD2  LEU  21          3HD2      LEU  21  -5.527   1.167   3.574
  171   2HD2  LEU  21          1HD2      LEU  21  -6.843   1.633   2.459
  172   3HD2  LEU  21          2HD2      LEU  21  -5.357   0.906   1.834
  173    H    SER  22           H        SER  22  -6.370   6.585   4.968
  174    HA   SER  22           HA       SER  22  -8.326   5.763   6.893
  175   1HB   SER  22          1HB       SER  22  -6.922   8.449   6.592
  176   2HB   SER  22          2HB       SER  22  -7.741   7.832   8.046
  177    HG   SER  22           HG       SER  22  -6.256   5.986   7.877
  178    H    SER  23           H        SER  23  -8.509   8.211   4.200
  179    HA   SER  23           HA       SER  23 -11.024   9.285   4.878
  180   1HB   SER  23          1HB       SER  23  -9.398  10.034   3.074
  181   2HB   SER  23          2HB       SER  23  -9.972   8.691   2.073
  182    HG   SER  23           HG       SER  23 -10.989  11.118   2.630
  183    H    LYS  24           H        LYS  24 -10.118   6.379   3.026
  184    HA   LYS  24           HA       LYS  24 -12.827   5.495   2.547
  185   1HB   LYS  24          1HB       LYS  24 -10.110   4.134   2.296
  186   2HB   LYS  24          2HB       LYS  24 -11.624   3.413   1.759
  187   1HG   LYS  24          1HG       LYS  24 -10.536   6.064   0.709
  188   2HG   LYS  24          2HG       LYS  24 -10.321   4.492  -0.078
  189   1HD   LYS  24          1HD       LYS  24 -12.881   4.333   0.000
  190   2HD   LYS  24          2HD       LYS  24 -12.870   6.068   0.375
  191   1HE   LYS  24          1HE       LYS  24 -12.041   6.671  -1.725
  192   2HE   LYS  24          2HE       LYS  24 -11.422   5.028  -2.045
  193   1HZ   LYS  24          1HZ       LYS  24 -14.313   5.553  -1.756
  194   2HZ   LYS  24          2HZ       LYS  24 -13.592   5.530  -3.227
  195   3HZ   LYS  24          3HZ       LYS  24 -13.562   4.195  -2.246
  196    H    GLY  25           H        GLY  25 -11.124   5.542   5.468
  197   1HA   GLY  25          1HA       GLY  25 -11.798   4.687   7.481
  198   2HA   GLY  25          2HA       GLY  25 -13.117   3.832   6.672
  199    H    VAL  26           H        VAL  26  -9.921   3.228   5.367
  200    HA   VAL  26           HA       VAL  26 -10.251   0.406   6.100
  201    HB   VAL  26           HB       VAL  26  -8.240   1.896   4.367
  202   1HG1  VAL  26          2HG1      VAL  26  -8.625  -1.103   4.626
  203   2HG1  VAL  26          3HG1      VAL  26  -7.741  -0.324   3.324
  204   3HG1  VAL  26          1HG1      VAL  26  -7.150  -0.172   4.971
  205   1HG2  VAL  26          3HG2      VAL  26 -10.579   1.940   3.472
  206   2HG2  VAL  26          1HG2      VAL  26  -9.516   0.982   2.455
  207   3HG2  VAL  26          2HG2      VAL  26 -10.641   0.178   3.568
  208    H    SER  27           H        SER  27  -8.332  -0.771   6.886
  209    HA   SER  27           HA       SER  27  -6.932   0.680   9.075
  210   1HB   SER  27          1HB       SER  27  -8.062  -2.142   9.081
  211   2HB   SER  27          2HB       SER  27  -7.338  -1.269  10.440
  212    HG   SER  27           HG       SER  27  -9.478  -1.163  10.669
  213    H    PHE  28           H        PHE  28  -4.745   0.638   8.596
  214    HA   PHE  28           HA       PHE  28  -3.736  -1.645   6.947
  215   1HB   PHE  28          1HB       PHE  28  -2.332  -0.073   5.755
  216   2HB   PHE  28          2HB       PHE  28  -4.032   0.272   5.557
  217    HD1  PHE  28           HD2      PHE  28  -0.895   1.454   7.243
  218    HD2  PHE  28           HD1      PHE  28  -5.003   2.355   6.286
  219    HE1  PHE  28           HE2      PHE  28  -0.505   3.831   7.787
  220    HE2  PHE  28           HE1      PHE  28  -4.583   4.750   6.792
  221    HZ   PHE  28           HZ       PHE  28  -2.348   5.486   7.573
  222    H    GLN  29           H        GLN  29  -1.360  -1.864   6.954
  223    HA   GLN  29           HA       GLN  29  -0.085  -1.328   9.566
  224   1HB   GLN  29          1HB       GLN  29  -0.616  -3.761   9.208
  225   2HB   GLN  29          2HB       GLN  29   0.261  -3.728   7.685
  226   1HG   GLN  29          1HG       GLN  29   2.347  -3.104   8.885
  227   2HG   GLN  29          2HG       GLN  29   1.452  -3.062  10.409
  228   1HE2  GLN  29          2HE2      GLN  29   2.615  -6.677   8.828
  229   2HE2  GLN  29          1HE2      GLN  29   2.707  -5.241   7.850
  230    H    GLU  30           H        GLU  30   0.993   0.491   8.946
  231    HA   GLU  30           HA       GLU  30   2.136   0.801   6.308
  232   1HB   GLU  30          1HB       GLU  30   1.600   2.656   8.024
  233   2HB   GLU  30          2HB       GLU  30   3.163   2.197   8.763
  234   1HG   GLU  30          1HG       GLU  30   4.409   2.795   6.863
  235   2HG   GLU  30          2HG       GLU  30   2.981   2.813   5.816
  236    H    LEU  31           H        LEU  31   4.171   0.596   5.716
  237    HA   LEU  31           HA       LEU  31   6.111  -1.015   7.316
  238   1HB   LEU  31          1HB       LEU  31   5.014  -1.697   4.589
  239   2HB   LEU  31          2HB       LEU  31   6.485  -2.398   5.251
  240    HG   LEU  31           HG       LEU  31   3.686  -2.609   6.470
  241   1HD1  LEU  31          1HD1      LEU  31   4.067  -3.891   4.467
  242   2HD1  LEU  31          2HD1      LEU  31   5.543  -4.604   5.178
  243   3HD1  LEU  31          3HD1      LEU  31   3.951  -4.966   5.883
  244   1HD2  LEU  31          3HD2      LEU  31   6.300  -3.859   7.402
  245   2HD2  LEU  31          1HD2      LEU  31   5.277  -2.725   8.330
  246   3HD2  LEU  31          2HD2      LEU  31   4.686  -4.338   7.960
  247    HA   PRO  32           HA       PRO  32   8.333   2.665   5.555
  248   1HB   PRO  32          1HB       PRO  32   9.822   2.050   8.081
  249   2HB   PRO  32          2HB       PRO  32   9.290   3.616   7.429
  250   1HG   PRO  32          1HG       PRO  32   7.993   2.481   9.528
  251   2HG   PRO  32          2HG       PRO  32   7.076   3.297   8.227
  252   1HD   PRO  32          1HD       PRO  32   7.573   0.290   8.524
  253   2HD   PRO  32          2HD       PRO  32   6.066   1.157   8.188
  254    H    ILE  33           H        ILE  33   9.629   1.950   3.906
  255    HA   ILE  33           HA       ILE  33  11.727  -0.076   4.395
  256    HB   ILE  33           HB       ILE  33  11.581  -0.064   1.839
  257   1HG1  ILE  33          1HG1      ILE  33   9.452   0.170   0.801
  258   2HG1  ILE  33          2HG1      ILE  33   8.924   1.030   2.194
  259   1HG2  ILE  33          3HG2      ILE  33  10.985  -1.926   3.287
  260   2HG2  ILE  33          1HG2      ILE  33   9.346  -1.249   3.489
  261   3HG2  ILE  33          2HG2      ILE  33   9.895  -1.844   1.898
  262   1HD1  ILE  33          1HD1      ILE  33  11.300   1.771   0.410
  263   2HD1  ILE  33          2HD1      ILE  33   9.736   2.567   0.353
  264   3HD1  ILE  33          3HD1      ILE  33  10.734   2.717   1.801
  265    H    ASP  34           H        ASP  34  11.796   2.823   5.090
  266    HA   ASP  34           HA       ASP  34  13.477   3.961   3.024
  267   1HB   ASP  34          1HB       ASP  34  11.715   5.153   4.502
  268   2HB   ASP  34          2HB       ASP  34  12.953   5.222   5.734
  269    H    GLY  35           H        GLY  35  13.997   3.686   6.557
  270   1HA   GLY  35          1HA       GLY  35  16.877   3.226   6.359
  271   2HA   GLY  35          2HA       GLY  35  15.880   3.276   7.810
  272    H    ASN  36           H        ASN  36  14.940   1.277   5.098
  273    HA   ASN  36           HA       ASN  36  15.878  -1.269   6.223
  274   1HB   ASN  36          1HB       ASN  36  13.965  -1.192   7.570
  275   2HB   ASN  36          2HB       ASN  36  13.048  -0.254   6.399
  276   1HD2  ASN  36          2HD2      ASN  36  11.359  -3.027   5.249
  277   2HD2  ASN  36          1HD2      ASN  36  11.299  -1.463   6.013
  278    H    ALA  37           H        ALA  37  17.062  -1.143   4.194
  279    HA   ALA  37           HA       ALA  37  15.549  -1.172   1.703
  280   1HB   ALA  37          3HB       ALA  37  18.447  -1.822   2.336
  281   2HB   ALA  37          1HB       ALA  37  17.741  -1.744   0.708
  282   3HB   ALA  37          2HB       ALA  37  17.799  -0.289   1.720
  283    H    ALA  38           H        ALA  38  16.161  -3.487   4.193
  284    HA   ALA  38           HA       ALA  38  16.406  -5.857   2.648
  285   1HB   ALA  38          3HB       ALA  38  15.319  -5.478   5.475
  286   2HB   ALA  38          1HB       ALA  38  15.750  -7.025   4.726
  287   3HB   ALA  38          2HB       ALA  38  17.004  -5.810   5.014
  288    H    LYS  39           H        LYS  39  13.465  -4.710   4.414
  289    HA   LYS  39           HA       LYS  39  11.792  -6.492   2.897
  290   1HB   LYS  39          1HB       LYS  39  11.400  -5.130   5.211
  291   2HB   LYS  39          2HB       LYS  39  10.496  -4.092   4.090
  292   1HG   LYS  39          1HG       LYS  39   9.321  -6.211   3.275
  293   2HG   LYS  39          2HG       LYS  39  10.086  -7.063   4.615
  294   1HD   LYS  39          1HD       LYS  39   8.153  -4.706   4.802
  295   2HD   LYS  39          2HD       LYS  39   7.781  -6.378   5.190
  296   1HE   LYS  39          1HE       LYS  39   9.708  -4.542   6.664
  297   2HE   LYS  39          2HE       LYS  39   8.101  -5.035   7.206
  298   1HZ   LYS  39          3HZ       LYS  39  10.420  -6.855   6.882
  299   2HZ   LYS  39          1HZ       LYS  39   9.850  -6.272   8.276
  300   3HZ   LYS  39          2HZ       LYS  39   8.914  -7.289   7.461
  301    H    ARG  40           H        ARG  40  13.145  -3.418   2.119
  302    HA   ARG  40           HA       ARG  40  11.240  -2.585   0.123
  303   1HB   ARG  40          1HB       ARG  40  13.247  -1.331   1.288
  304   2HB   ARG  40          2HB       ARG  40  14.231  -2.014   0.018
  305   1HG   ARG  40          1HG       ARG  40  11.711  -0.452  -0.587
  306   2HG   ARG  40          2HG       ARG  40  13.194   0.368  -0.160
  307   1HD   ARG  40          1HD       ARG  40  12.685  -1.369  -2.597
  308   2HD   ARG  40          2HD       ARG  40  12.995   0.354  -2.565
  309    HE   ARG  40           HE       ARG  40  14.898  -1.538  -3.025
  310   1HH1  ARG  40          2HH2      ARG  40  14.834   1.358  -1.041
  311   2HH1  ARG  40          1HH2      ARG  40  16.458   1.220  -0.492
  312   1HH2  ARG  40          2HH1      ARG  40  17.074  -1.584  -2.622
  313   2HH2  ARG  40          1HH1      ARG  40  17.842  -0.440  -1.578
  314    H    GLU  41           H        GLU  41  14.297  -4.500  -0.006
  315    HA   GLU  41           HA       GLU  41  14.023  -5.144  -2.800
  316   1HB   GLU  41          1HB       GLU  41  15.648  -6.259  -0.498
  317   2HB   GLU  41          2HB       GLU  41  15.736  -6.926  -2.141
  318   1HG   GLU  41          1HG       GLU  41  16.499  -4.845  -3.060
  319   2HG   GLU  41          2HG       GLU  41  16.165  -3.960  -1.574
  320    H    GLU  42           H        GLU  42  12.923  -6.714   0.228
  321    HA   GLU  42           HA       GLU  42  11.944  -9.125  -0.901
  322   1HB   GLU  42          1HB       GLU  42  12.027  -8.521   1.567
  323   2HB   GLU  42          2HB       GLU  42  10.647  -7.464   1.287
  324   1HG   GLU  42          1HG       GLU  42   9.513  -9.267   1.999
  325   2HG   GLU  42          2HG       GLU  42   9.524  -9.678   0.291
  326    H    MET  43           H        MET  43  10.271  -5.949  -0.469
  327    HA   MET  43           HA       MET  43   7.924  -6.619  -1.939
  328   1HB   MET  43          1HB       MET  43   8.065  -4.616  -0.468
  329   2HB   MET  43          2HB       MET  43   9.422  -3.994  -1.384
  330   1HG   MET  43          1HG       MET  43   7.826  -3.784  -3.391
  331   2HG   MET  43          2HG       MET  43   6.528  -4.088  -2.245
  332   1HE   MET  43          3HE       MET  43   9.162  -1.699  -3.714
  333   2HE   MET  43          1HE       MET  43   9.229  -0.335  -2.580
  334   3HE   MET  43          2HE       MET  43   9.931  -1.902  -2.127
  335    H    ILE  44           H        ILE  44  11.049  -5.237  -3.187
  336    HA   ILE  44           HA       ILE  44  10.112  -4.914  -5.842
  337    HB   ILE  44           HB       ILE  44  12.832  -5.515  -4.665
  338   1HG1  ILE  44          1HG1      ILE  44  11.802  -3.125  -6.231
  339   2HG1  ILE  44          2HG1      ILE  44  11.556  -3.250  -4.494
  340   1HG2  ILE  44          3HG2      ILE  44  12.250  -5.100  -7.629
  341   2HG2  ILE  44          1HG2      ILE  44  13.862  -5.100  -6.882
  342   3HG2  ILE  44          2HG2      ILE  44  12.910  -6.572  -6.879
  343   1HD1  ILE  44          1HD1      ILE  44  14.004  -3.317  -4.134
  344   2HD1  ILE  44          2HD1      ILE  44  14.254  -3.125  -5.885
  345   3HD1  ILE  44          3HD1      ILE  44  13.461  -1.844  -4.961
  346    H    LYS  45           H        LYS  45  11.430  -7.841  -4.257
  347    HA   LYS  45           HA       LYS  45  11.027  -9.569  -6.500
  348   1HB   LYS  45          1HB       LYS  45  11.019 -10.277  -3.537
  349   2HB   LYS  45          2HB       LYS  45  11.184 -11.417  -4.865
  350   1HG   LYS  45          1HG       LYS  45  13.335 -10.589  -5.476
  351   2HG   LYS  45          2HG       LYS  45  13.140  -9.110  -4.568
  352   1HD   LYS  45          1HD       LYS  45  12.974 -10.773  -2.479
  353   2HD   LYS  45          2HD       LYS  45  13.874 -11.844  -3.580
  354   1HE   LYS  45          1HE       LYS  45  15.493  -9.908  -3.948
  355   2HE   LYS  45          2HE       LYS  45  14.602  -9.001  -2.724
  356   1HZ   LYS  45          1HZ       LYS  45  15.152 -10.826  -1.164
  357   2HZ   LYS  45          2HZ       LYS  45  16.115 -11.504  -2.311
  358   3HZ   LYS  45          3HZ       LYS  45  16.475 -10.013  -1.708
  359    H    ARG  46           H        ARG  46   8.879  -9.121  -3.580
  360    HA   ARG  46           HA       ARG  46   7.026 -10.856  -4.814
  361   1HB   ARG  46          1HB       ARG  46   5.420 -10.449  -3.073
  362   2HB   ARG  46          2HB       ARG  46   7.023 -10.919  -2.523
  363   1HG   ARG  46          1HG       ARG  46   7.516  -8.713  -1.750
  364   2HG   ARG  46          2HG       ARG  46   6.099  -8.023  -2.561
  365   1HD   ARG  46          1HD       ARG  46   5.737  -8.230  -0.178
  366   2HD   ARG  46          2HD       ARG  46   4.621  -9.303  -1.044
  367    HE   ARG  46           HE       ARG  46   6.807 -10.897  -0.409
  368   1HH1  ARG  46          2HH2      ARG  46   4.567  -8.872   1.465
  369   2HH1  ARG  46          1HH2      ARG  46   4.819  -9.701   2.960
  370   1HH2  ARG  46          2HH1      ARG  46   7.065 -12.076   1.491
  371   2HH2  ARG  46          1HH1      ARG  46   6.167 -11.702   2.917
  372    H    SER  47           H        SER  47   7.219  -7.412  -5.142
  373    HA   SER  47           HA       SER  47   4.431  -7.238  -6.096
  374   1HB   SER  47          1HB       SER  47   4.703  -4.873  -5.866
  375   2HB   SER  47          2HB       SER  47   5.338  -5.637  -4.406
  376    HG   SER  47           HG       SER  47   7.407  -5.311  -5.196
  377    H    GLY  48           H        GLY  48   7.659  -7.358  -7.521
  378   1HA   GLY  48          1HA       GLY  48   8.339  -7.071  -9.702
  379   2HA   GLY  48          2HA       GLY  48   6.643  -7.044 -10.189
  380    H    ARG  49           H        ARG  49   7.423  -4.676  -7.751
  381    HA   ARG  49           HA       ARG  49   7.903  -2.536  -9.743
  382   1HB   ARG  49          1HB       ARG  49   5.697  -2.748  -7.686
  383   2HB   ARG  49          2HB       ARG  49   6.339  -1.161  -8.124
  384   1HG   ARG  49          1HG       ARG  49   5.816  -1.577 -10.468
  385   2HG   ARG  49          2HG       ARG  49   5.066  -3.150 -10.038
  386   1HD   ARG  49          1HD       ARG  49   3.878  -1.303  -8.280
  387   2HD   ARG  49          2HD       ARG  49   4.104  -0.364  -9.756
  388    HE   ARG  49           HE       ARG  49   2.843  -2.975 -10.200
  389   1HH1  ARG  49          2HH2      ARG  49   2.267   0.427  -9.363
  390   2HH1  ARG  49          1HH2      ARG  49   0.574   0.369  -9.778
  391   1HH2  ARG  49          2HH1      ARG  49   0.625  -3.079 -10.602
  392   2HH2  ARG  49          1HH1      ARG  49  -0.393  -1.653 -10.489
  393    H    THR  50           H        THR  50   8.794  -0.624  -8.725
  394    HA   THR  50           HA       THR  50  10.530  -1.449  -6.432
  395    HB   THR  50           HB       THR  50  10.863   0.176  -8.915
  396    HG1  THR  50           HG1      THR  50  11.486  -1.882  -9.078
  397   1HG2  THR  50          1HG2      THR  50  12.704   0.247  -6.483
  398   2HG2  THR  50          2HG2      THR  50  13.135   0.831  -8.101
  399   3HG2  THR  50          3HG2      THR  50  11.859   1.639  -7.201
  400    H    THR  51           H        THR  51   8.281   1.129  -7.549
  401    HA   THR  51           HA       THR  51   9.374   2.855  -5.403
  402    HB   THR  51           HB       THR  51   7.762   4.530  -6.493
  403    HG1  THR  51           HG1      THR  51   8.009   3.075  -8.839
  404   1HG2  THR  51          3HG2      THR  51  10.255   4.467  -6.746
  405   2HG2  THR  51          1HG2      THR  51  10.063   3.433  -8.168
  406   3HG2  THR  51          2HG2      THR  51   9.390   5.086  -8.141
  407    H    VAL  52           H        VAL  52   8.169   3.918  -3.856
  408    HA   VAL  52           HA       VAL  52   5.786   2.481  -2.924
  409    HB   VAL  52           HB       VAL  52   6.231   4.053  -0.871
  410   1HG1  VAL  52          3HG1      VAL  52   6.558   1.578  -1.038
  411   2HG1  VAL  52          1HG1      VAL  52   8.249   1.894  -1.505
  412   3HG1  VAL  52          2HG1      VAL  52   7.626   2.410   0.088
  413   1HG2  VAL  52          2HG2      VAL  52   7.869   5.532  -1.951
  414   2HG2  VAL  52          3HG2      VAL  52   8.446   4.766  -0.465
  415   3HG2  VAL  52          1HG2      VAL  52   9.025   4.176  -2.025
  416    HA   PRO  53           HA       PRO  53   4.396   3.188  -1.109
  417   1HB   PRO  53          1HB       PRO  53   1.759   3.381  -0.759
  418   2HB   PRO  53          2HB       PRO  53   2.842   4.719  -0.243
  419   1HG   PRO  53          1HG       PRO  53   1.289   4.436  -2.823
  420   2HG   PRO  53          2HG       PRO  53   1.339   5.867  -1.742
  421   1HD   PRO  53          1HD       PRO  53   2.904   5.592  -3.987
  422   2HD   PRO  53          2HD       PRO  53   3.446   6.521  -2.552
  423    H    GLN  54           H        GLN  54   3.342   1.088  -1.065
  424    HA   GLN  54           HA       GLN  54   1.933   0.234  -3.483
  425   1HB   GLN  54          1HB       GLN  54   4.230  -1.390  -2.274
  426   2HB   GLN  54          2HB       GLN  54   3.079  -1.934  -3.495
  427   1HG   GLN  54          1HG       GLN  54   3.978   0.188  -4.840
  428   2HG   GLN  54          2HG       GLN  54   5.367  -0.005  -3.745
  429   1HE2  GLN  54          2HE2      GLN  54   6.606  -2.811  -5.575
  430   2HE2  GLN  54          1HE2      GLN  54   6.926  -1.488  -4.472
  431    H    ILE  55           H        ILE  55   0.314  -1.516  -2.870
  432    HA   ILE  55           HA       ILE  55   0.160  -1.783   0.052
  433    HB   ILE  55           HB       ILE  55  -2.043  -0.989  -1.897
  434   1HG1  ILE  55          1HG1      ILE  55  -1.981   0.883   0.150
  435   2HG1  ILE  55          2HG1      ILE  55  -0.308   0.462   0.077
  436   1HG2  ILE  55          1HG2      ILE  55  -2.177  -1.553   1.104
  437   2HG2  ILE  55          2HG2      ILE  55  -3.494  -0.903   0.124
  438   3HG2  ILE  55          3HG2      ILE  55  -2.918  -2.540  -0.171
  439   1HD1  ILE  55          1HD1      ILE  55  -0.285   1.104  -2.377
  440   2HD1  ILE  55          2HD1      ILE  55  -1.972   1.600  -2.195
  441   3HD1  ILE  55          3HD1      ILE  55  -0.709   2.422  -1.276
  442    H    PHE  56           H        PHE  56  -0.707  -3.664   0.715
  443    HA   PHE  56           HA       PHE  56  -1.118  -5.832  -1.234
  444   1HB   PHE  56          1HB       PHE  56   0.830  -5.719   1.102
  445   2HB   PHE  56          2HB       PHE  56   0.034  -7.234   0.683
  446    HD1  PHE  56           HD1      PHE  56   2.150  -4.515  -0.846
  447    HD2  PHE  56           HD2      PHE  56   0.823  -8.620  -1.044
  448    HE1  PHE  56           HE1      PHE  56   3.813  -4.976  -2.620
  449    HE2  PHE  56           HE2      PHE  56   2.516  -9.078  -2.785
  450    HZ   PHE  56           HZ       PHE  56   4.000  -7.275  -3.585
  451    H    ILE  57           H        ILE  57  -2.718  -7.241  -0.526
  452    HA   ILE  57           HA       ILE  57  -3.977  -6.746   2.122
  453    HB   ILE  57           HB       ILE  57  -5.449  -6.791  -0.549
  454   1HG1  ILE  57          1HG1      ILE  57  -5.019  -4.704   1.628
  455   2HG1  ILE  57          2HG1      ILE  57  -4.456  -4.608  -0.021
  456   1HG2  ILE  57          3HG2      ILE  57  -6.677  -8.110   1.151
  457   2HG2  ILE  57          1HG2      ILE  57  -6.589  -6.752   2.288
  458   3HG2  ILE  57          2HG2      ILE  57  -7.523  -6.622   0.776
  459   1HD1  ILE  57          3HD1      ILE  57  -6.849  -4.465  -0.789
  460   2HD1  ILE  57          1HD1      ILE  57  -7.318  -4.352   0.927
  461   3HD1  ILE  57          2HD1      ILE  57  -6.272  -3.115   0.215
  462    H    ASP  58           H        ASP  58  -3.487  -8.568   3.067
  463    HA   ASP  58           HA       ASP  58  -3.312 -10.803   3.546
  464   1HB   ASP  58          1HB       ASP  58  -5.709 -10.886   1.697
  465   2HB   ASP  58          2HB       ASP  58  -5.250 -12.151   2.842
  466    H    ALA  59           H        ALA  59  -1.657  -9.924   1.544
  467    HA   ALA  59           HA       ALA  59   0.171 -10.794   0.520
  468   1HB   ALA  59          2HB       ALA  59  -0.326 -13.097   1.398
  469   2HB   ALA  59          3HB       ALA  59  -1.280 -13.393  -0.074
  470   3HB   ALA  59          1HB       ALA  59   0.449 -13.067  -0.198
  471    H    GLN  60           H        GLN  60  -2.910 -10.336  -0.873
  472    HA   GLN  60           HA       GLN  60  -2.074 -10.649  -3.665
  473   1HB   GLN  60          1HB       GLN  60  -4.459  -9.250  -2.367
  474   2HB   GLN  60          2HB       GLN  60  -4.145  -9.287  -4.092
  475   1HG   GLN  60          1HG       GLN  60  -5.825 -10.958  -3.408
  476   2HG   GLN  60          2HG       GLN  60  -4.432 -11.641  -4.242
  477   1HE2  GLN  60          2HE2      GLN  60  -4.719 -12.407  -0.191
  478   2HE2  GLN  60          1HE2      GLN  60  -5.418 -10.923  -0.790
  479    H    HIS  61           H        HIS  61  -1.078  -9.080  -4.843
  480    HA   HIS  61           HA       HIS  61  -0.140  -6.625  -3.482
  481   1HB   HIS  61          1HB       HIS  61   1.505  -7.980  -4.780
  482   2HB   HIS  61          2HB       HIS  61   0.439  -7.992  -6.156
  483    HD1  HIS  61           HD1      HIS  61   2.016  -6.845  -7.818
  484    HD2  HIS  61           HD2      HIS  61   1.418  -4.732  -4.192
  485    HE1  HIS  61           HE1      HIS  61   3.056  -4.522  -8.140
  486    HE2  HIS  61           HE2      HIS  61   2.771  -3.264  -5.933
  487    H    ILE  62           H        ILE  62  -1.353  -4.702  -3.806
  488    HA   ILE  62           HA       ILE  62  -3.522  -4.797  -5.756
  489    HB   ILE  62           HB       ILE  62  -2.558  -2.356  -4.238
  490   1HG1  ILE  62          1HG1      ILE  62  -2.773  -3.672  -2.413
  491   2HG1  ILE  62          2HG1      ILE  62  -4.363  -2.958  -2.531
  492   1HG2  ILE  62          1HG2      ILE  62  -5.262  -3.258  -5.336
  493   2HG2  ILE  62          2HG2      ILE  62  -4.993  -1.776  -4.413
  494   3HG2  ILE  62          3HG2      ILE  62  -4.235  -1.971  -5.995
  495   1HD1  ILE  62          3HD1      ILE  62  -5.028  -5.125  -3.877
  496   2HD1  ILE  62          1HD1      ILE  62  -3.639  -5.837  -3.035
  497   3HD1  ILE  62          2HD1      ILE  62  -4.977  -5.146  -2.122
  498    H    GLY  63           H        GLY  63  -0.541  -2.879  -5.250
  499   1HA   GLY  63          1HA       GLY  63   0.739  -2.565  -7.534
  500   2HA   GLY  63          2HA       GLY  63  -0.762  -1.686  -7.888
  501    H    GLY  64           H        GLY  64   0.046   0.407  -7.750
  502   1HA   GLY  64          1HA       GLY  64   1.438   1.339  -5.343
  503   2HA   GLY  64          2HA       GLY  64   1.224   2.198  -6.873
  504    H    TYR  65           H        TYR  65   0.384   3.983  -5.940
  505    HA   TYR  65           HA       TYR  65  -1.770   4.015  -3.966
  506   1HB   TYR  65          1HB       TYR  65   0.048   5.726  -3.971
  507   2HB   TYR  65          2HB       TYR  65  -0.362   6.166  -5.610
  508    HD1  TYR  65           HD2      TYR  65  -3.224   5.581  -3.298
  509    HD2  TYR  65           HD1      TYR  65  -0.369   8.472  -4.773
  510    HE1  TYR  65           HE2      TYR  65  -4.624   7.378  -2.494
  511    HE2  TYR  65           HE1      TYR  65  -1.811  10.292  -3.974
  512    HH   TYR  65           HH       TYR  65  -5.052   9.713  -2.675
  513    H    ASP  66           H        ASP  66  -1.433   5.232  -7.362
  514    HA   ASP  66           HA       ASP  66  -4.206   5.834  -7.562
  515   1HB   ASP  66          1HB       ASP  66  -2.039   5.416  -9.632
  516   2HB   ASP  66          2HB       ASP  66  -3.726   5.691 -10.094
  517    H    ASP  67           H        ASP  67  -2.387   2.848  -8.101
  518    HA   ASP  67           HA       ASP  67  -4.459   1.269  -9.257
  519   1HB   ASP  67          1HB       ASP  67  -2.371   0.352  -7.226
  520   2HB   ASP  67          2HB       ASP  67  -3.408  -0.695  -8.174
  521    H    LEU  68           H        LEU  68  -3.541   1.833  -5.760
  522    HA   LEU  68           HA       LEU  68  -5.662   0.231  -4.777
  523   1HB   LEU  68          1HB       LEU  68  -3.610   0.847  -3.503
  524   2HB   LEU  68          2HB       LEU  68  -4.167   2.524  -3.450
  525    HG   LEU  68           HG       LEU  68  -6.335   1.584  -2.319
  526   1HD1  LEU  68          1HD1      LEU  68  -4.450  -0.791  -2.138
  527   2HD1  LEU  68          2HD1      LEU  68  -5.767  -0.561  -0.992
  528   3HD1  LEU  68          3HD1      LEU  68  -6.140  -0.771  -2.704
  529   1HD2  LEU  68          2HD2      LEU  68  -4.480   2.869  -1.200
  530   2HD2  LEU  68          3HD2      LEU  68  -5.518   1.832  -0.214
  531   3HD2  LEU  68          1HD2      LEU  68  -3.887   1.291  -0.649
  532    H    TYR  69           H        TYR  69  -5.429   3.757  -5.227
  533    HA   TYR  69           HA       TYR  69  -7.946   4.470  -4.111
  534   1HB   TYR  69          1HB       TYR  69  -6.301   6.168  -4.855
  535   2HB   TYR  69          2HB       TYR  69  -6.489   5.674  -6.519
  536    HD1  TYR  69           HD2      TYR  69  -9.147   6.262  -3.891
  537    HD2  TYR  69           HD1      TYR  69  -7.506   7.467  -7.697
  538    HE1  TYR  69           HE2      TYR  69 -11.160   7.584  -4.314
  539    HE2  TYR  69           HE1      TYR  69  -9.547   8.809  -8.127
  540    HH   TYR  69           HH       TYR  69 -12.323   8.896  -5.848
  541    H    ALA  70           H        ALA  70  -7.125   3.547  -7.457
  542    HA   ALA  70           HA       ALA  70  -9.848   3.775  -8.399
  543   1HB   ALA  70          2HB       ALA  70  -7.912   3.869  -9.949
  544   2HB   ALA  70          3HB       ALA  70  -7.505   2.185  -9.556
  545   3HB   ALA  70          1HB       ALA  70  -9.021   2.558 -10.401
  546    H    LEU  71           H        LEU  71  -7.926   1.120  -7.121
  547    HA   LEU  71           HA       LEU  71  -9.854  -0.936  -7.565
  548   1HB   LEU  71          1HB       LEU  71  -7.338  -1.119  -6.953
  549   2HB   LEU  71          2HB       LEU  71  -7.860  -0.982  -5.285
  550    HG   LEU  71           HG       LEU  71  -7.476  -3.244  -5.941
  551   1HD1  LEU  71          3HD1      LEU  71  -9.212  -2.938  -4.333
  552   2HD1  LEU  71          1HD1      LEU  71 -10.407  -3.066  -5.666
  553   3HD1  LEU  71          2HD1      LEU  71  -9.367  -4.433  -5.280
  554   1HD2  LEU  71          1HD2      LEU  71  -7.936  -3.019  -8.386
  555   2HD2  LEU  71          2HD2      LEU  71  -8.650  -4.466  -7.656
  556   3HD2  LEU  71          3HD2      LEU  71  -9.678  -3.069  -8.020
  557    H    ASP  72           H        ASP  72  -9.280   1.309  -4.816
  558    HA   ASP  72           HA       ASP  72 -11.354   0.189  -3.154
  559   1HB   ASP  72          1HB       ASP  72  -9.579   1.749  -2.302
  560   2HB   ASP  72          2HB       ASP  72 -10.388   3.071  -3.147
  561    H    ALA  73           H        ALA  73 -11.286   3.044  -5.274
  562    HA   ALA  73           HA       ALA  73 -14.026   3.642  -4.955
  563   1HB   ALA  73          2HB       ALA  73 -12.320   5.290  -5.620
  564   2HB   ALA  73          3HB       ALA  73 -12.103   4.458  -7.171
  565   3HB   ALA  73          1HB       ALA  73 -13.646   5.261  -6.795
  566    H    ARG  74           H        ARG  74 -12.731   1.124  -6.964
  567    HA   ARG  74           HA       ARG  74 -15.197   0.954  -8.539
  568   1HB   ARG  74          1HB       ARG  74 -14.192  -0.806  -9.611
  569   2HB   ARG  74          2HB       ARG  74 -12.860   0.268  -9.283
  570   1HG   ARG  74          1HG       ARG  74 -11.738  -1.348  -8.253
  571   2HG   ARG  74          2HG       ARG  74 -12.997  -1.621  -7.096
  572   1HD   ARG  74          1HD       ARG  74 -13.250  -2.864  -9.840
  573   2HD   ARG  74          2HD       ARG  74 -12.139  -3.533  -8.641
  574    HE   ARG  74           HE       ARG  74 -14.873  -3.088  -7.670
  575   1HH1  ARG  74          2HH2      ARG  74 -12.935  -5.381  -9.505
  576   2HH1  ARG  74          1HH2      ARG  74 -13.565  -6.796  -8.695
  577   1HH2  ARG  74          2HH1      ARG  74 -15.624  -4.939  -6.471
  578   2HH2  ARG  74          1HH1      ARG  74 -15.345  -6.525  -7.092
  579    H    GLY  75           H        GLY  75 -14.308   0.161  -5.379
  580   1HA   GLY  75          1HA       GLY  75 -15.328  -0.990  -3.718
  581   2HA   GLY  75          2HA       GLY  75 -16.561  -1.572  -4.850
  582    H    GLY  76           H        GLY  76 -12.823  -1.996  -4.871
  583   1HA   GLY  76          1HA       GLY  76 -13.408  -4.910  -4.508
  584   2HA   GLY  76          2HA       GLY  76 -12.108  -4.273  -5.498
  585    H    LEU  77           H        LEU  77 -11.551  -2.047  -3.419
  586    HA   LEU  77           HA       LEU  77  -9.865  -3.600  -1.615
  587   1HB   LEU  77          1HB       LEU  77  -9.431  -1.191  -2.473
  588   2HB   LEU  77          2HB       LEU  77 -10.602  -0.660  -1.271
  589    HG   LEU  77           HG       LEU  77  -7.915  -1.956  -0.846
  590   1HD1  LEU  77          1HD1      LEU  77  -8.033   0.490  -1.228
  591   2HD1  LEU  77          2HD1      LEU  77  -9.114   0.654   0.158
  592   3HD1  LEU  77          3HD1      LEU  77  -7.450   0.112   0.407
  593   1HD2  LEU  77          2HD2      LEU  77  -9.980  -1.433   1.337
  594   2HD2  LEU  77          3HD2      LEU  77  -9.255  -3.002   0.900
  595   3HD2  LEU  77          1HD2      LEU  77  -8.253  -1.763   1.616
  596    H    ASP  78           H        ASP  78 -12.690  -1.456  -1.219
  597    HA   ASP  78           HA       ASP  78 -12.963  -1.735   1.512
  598   1HB   ASP  78          1HB       ASP  78 -14.089  -0.093  -0.043
  599   2HB   ASP  78          2HB       ASP  78 -15.331  -1.308  -0.332
  600    HA   PRO  79           HA       PRO  79 -15.849  -5.467   1.294
  601   1HB   PRO  79          1HB       PRO  79 -16.070  -7.062  -0.871
  602   2HB   PRO  79          2HB       PRO  79 -17.078  -5.600  -0.647
  603   1HG   PRO  79          1HG       PRO  79 -14.513  -5.861  -2.259
  604   2HG   PRO  79          2HG       PRO  79 -16.080  -5.153  -2.777
  605   1HD   PRO  79          1HD       PRO  79 -14.083  -3.593  -1.864
  606   2HD   PRO  79          2HD       PRO  79 -15.776  -3.245  -1.416
  607    H    LEU  80           H        LEU  80 -12.576  -5.479   0.130
  608    HA   LEU  80           HA       LEU  80 -12.176  -8.257   1.131
  609   1HB   LEU  80          1HB       LEU  80 -10.340  -6.261  -0.219
  610   2HB   LEU  80          2HB       LEU  80  -9.718  -7.673   0.628
  611    HG   LEU  80           HG       LEU  80 -11.741  -7.871  -1.641
  612   1HD1  LEU  80          3HD1      LEU  80  -9.641  -6.900  -2.445
  613   2HD1  LEU  80          1HD1      LEU  80  -8.710  -8.221  -1.710
  614   3HD1  LEU  80          2HD1      LEU  80  -9.837  -8.546  -3.050
  615   1HD2  LEU  80          2HD2      LEU  80  -9.959  -9.966  -0.299
  616   2HD2  LEU  80          3HD2      LEU  80 -11.725  -9.875  -0.186
  617   3HD2  LEU  80          1HD2      LEU  80 -10.967 -10.242  -1.735
  618    H    LEU  81           H        LEU  81 -12.418  -5.087   2.349
  619    HA   LEU  81           HA       LEU  81 -10.711  -5.576   4.673
  620   1HB   LEU  81          1HB       LEU  81 -11.160  -3.339   3.352
  621   2HB   LEU  81          2HB       LEU  81 -12.623  -3.240   4.298
  622    HG   LEU  81           HG       LEU  81 -10.621  -1.928   5.039
  623   1HD1  LEU  81          1HD1      LEU  81 -12.461  -2.340   6.590
  624   2HD1  LEU  81          2HD1      LEU  81 -11.599  -3.749   7.232
  625   3HD1  LEU  81          3HD1      LEU  81 -10.888  -2.141   7.397
  626   1HD2  LEU  81          2HD2      LEU  81  -8.944  -3.767   4.652
  627   2HD2  LEU  81          3HD2      LEU  81  -8.774  -2.918   6.209
  628   3HD2  LEU  81          1HD2      LEU  81  -9.508  -4.520   6.161
  629    H    LYS  82           H        LYS  82 -12.668  -7.497   4.216
  630    HA   LYS  82           HA       LYS  82 -14.956  -7.169   5.936
  631   1HB   LYS  82          1HB       LYS  82 -14.177  -9.034   4.048
  632   2HB   LYS  82          2HB       LYS  82 -13.891  -9.945   5.519
  633   1HG   LYS  82          1HG       LYS  82 -16.529  -8.486   5.099
  634   2HG   LYS  82          2HG       LYS  82 -16.204  -9.966   4.225
  635   1HD   LYS  82          1HD       LYS  82 -17.504 -10.499   6.150
  636   2HD   LYS  82          2HD       LYS  82 -15.886 -11.179   6.391
  637   1HE   LYS  82          1HE       LYS  82 -15.308  -9.543   7.978
  638   2HE   LYS  82          2HE       LYS  82 -16.541  -8.409   7.417
  639   1HZ   LYS  82          3HZ       LYS  82 -17.181 -10.921   8.820
  640   2HZ   LYS  82          1HZ       LYS  82 -17.038  -9.445   9.536
  641   3HZ   LYS  82          2HZ       LYS  82 -18.224  -9.703   8.424
  642   1HB2  GTT  83          1HB2      GTT  83   8.805   7.326  -2.507
  643   2HB2  GTT  83          2HB2      GTT  83   9.983   8.607  -2.826
  644    HA2  GTT  83           HA2      GTT  83   9.828   8.311  -5.172
  645    HN2  GTT  83           HN2      GTT  83   7.159   7.146  -4.585
  646   1HG1  GTT  83          1HG1      GTT  83   5.613   7.796  -6.385
  647   2HG1  GTT  83          2HG1      GTT  83   6.030   6.127  -6.725
  648   1HB1  GTT  83          1HB1      GTT  83   6.957   7.254  -9.025
  649   2HB1  GTT  83          2HB1      GTT  83   5.834   8.518  -8.559
  650    HA1  GTT  83           HA1      GTT  83   3.987   6.815  -8.546
  651   1HN1  GTT  83          1HN1      GTT  83   5.230   4.796  -8.167
  652   2HN1  GTT  83          2HN1      GTT  83   4.499   4.749  -9.645
  653   3HN1  GTT  83          3HN1      GTT  83   6.104   5.070  -9.574
  654    HN3  GTT  83           HN3      GTT  83  11.793   6.992  -4.519
  655   1HA3  GTT  83          1HA3      GTT  83  12.332   4.785  -3.295
  656   2HA3  GTT  83          2HA3      GTT  83  11.261   4.045  -4.486
   
  No H/Q in entry =         656