*HEADER    LIPID BINDING PROTEIN                   27-OCT-05   2ESY              
*TITLE     STRUCTURE AND INFLUENCE ON STABILITY AND ACTIVITY OF THE N-           
*TITLE    2 TERMINAL PROPETIDE PART OF LUNG SURFACTANT PROTEIN C                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LUNG SURFACTANT PROTEIN C;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: PEPTIDE SYNTHESIS USING F-MOC CHEMISTRY.              
*SOURCE   4 THE SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HUMAN.             
*KEYWDS    N-TERMINAL PART OF LUNG SURFACTANT PROTEIN C                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.LI, E.LIEPINSH, A.ALMLEN, J.THYBERG, T.CURSTEDT,                    
*AUTHOR   2 H.JORNVALL, J.JOHANSSON                                              
*REVDAT   2   28-FEB-06 2ESY    1       JRNL                                     
*REVDAT   1   15-NOV-05 2ESY    0                                                

NOEUPP  SER    1  HA  PRO    2 1HD   3.61      HA  PRO    2 2HD   3.61
NOEUPP  SER    1  HA  PRO    2  QD   3.35                             
NOEUPP  PRO    2  HA  PRO    3 1HD   3.36      HA  PRO    3 2HD   3.36
NOEUPP  PRO    2  HA  PRO    3  QD   3.07                             
NOEUPP  PRO    3  HA  ASP    4  H    2.86                             
NOEUPP  ASP    4  H   ASP    4 1HB   3.58      H   ASP    4 2HB   3.58
NOEUPP  ASP    4  H   TYR    5  H    4.20      HA  TYR    5  H    2.93
NOEUPP  ASP    4 1HB  TYR    5  H    5.16     2HB  TYR    5  H    5.16
NOEUPP  TYR    5  H   TYR    5 1HB   3.58      H   TYR    5 2HB   3.58
NOEUPP  TYR    5  H   TYR    5  QB   3.39      H   SER    6  H    4.29
NOEUPP  TYR    5  HA  SER    6  H    3.48     1HB  SER    6  H    5.44
NOEUPP  TYR    5 2HB  SER    6  H    5.44                             
NOEUPP  SER    6  H   SER    6 1HB   3.64      H   SER    6 2HB   3.64
NOEUPP  SER    6  H   ALA    7  H    3.42      HA  ALA    7  H    3.39
NOEUPP  SER    6 1HB  ALA    7  H    4.57     2HB  ALA    7  H    4.57
NOEUPP  SER    6  QB  ALA    7  H    4.36                             
NOEUPP  ALA    7  HA  ALA    8  H    3.39                             
NOEUPP  ALA    8  H   PRO    9 1HD   5.50      H   PRO    9 2HD   5.50
NOEUPP  ALA    8  H   PRO    9  QD   5.35      HA  PRO    9 1HD   2.90
NOEUPP  ALA    8  HA  PRO    9 2HD   2.90      QB  PRO    9 1HD   4.79
NOEUPP  ALA    8  QB  PRO    9 2HD   4.79                             
NOEUPP  PRO    9  HA  ARG   10  H    2.93     1HB  ARG   10  H    3.92
NOEUPP  PRO    9 2HB  ARG   10  H    4.60                             
NOEUPP  ARG   10  H   ARG   10 1HB   3.92      H   ARG   10 2HB   3.92
NOEUPP  ARG   10  H   ARG   10  QB   3.69      H   ARG   10 1HG   5.50
NOEUPP  ARG   10  H   ARG   10 2HG   5.50      H   ARG   12  QB   5.35
NOEUPP  ARG   10  H   ARG   12  QG   6.38      HA  ARG   10  QD   6.38
NOEUPP  ARG   10  HA  GLY   11  H    2.90      HA  PRO   16  QD   5.64
NOEUPP  ARG   10 1HB  ARG   10  HE   5.50     1HB  GLY   11  H    3.95
NOEUPP  ARG   10 2HB  ARG   10  HE   5.50     2HB  GLY   11  H    3.95
NOEUPP  ARG   10  QB  GLY   11  H    3.74                             
NOEUPP  GLY   11  H   GLY   11 1HA   2.93      H   ARG   12  H    3.70
NOEUPP  GLY   11 1HA  ARG   12  H    3.21     2HA  ARG   12  H    3.33
NOEUPP  ARG   12  H   ARG   12  QG   5.82      H   ARG   12  QD   6.38
NOEUPP  ARG   12  H   PHE   13  H    3.39      HA  ARG   12  QD   5.66
NOEUPP  ARG   12  HA  PHE   13  H    2.90      HA  PHE   13  QD   7.62
NOEUPP  ARG   12  QB  ARG   12  HE   6.38      QB  PHE   13  QD   8.50
NOEUPP  ARG   12  QG  PHE   13  H    6.00      QG  PHE   13  QD   8.50
NOEUPP  PHE   13  H   PHE   13 1HB   3.11      H   PHE   13 2HB   3.83
NOEUPP  PHE   13  HA  PHE   13 2HB   2.77      HA  GLY   14  H    3.11
NOEUPP  PHE   13  QD  GLY   14 1HA   7.62                             
NOEUPP  GLY   14 1HA  ILE   15  H    3.08     2HA  ILE   15  H    3.30
NOEUPP  ILE   15  H   ILE   15  HB   2.86      H   ILE   15 1HG1  4.88
NOEUPP  ILE   15  H   ILE   15 2HG1  3.98      H   ILE   15  QD1  6.53
NOEUPP  ILE   15  HA  ILE   15  HB   2.96      HA  ILE   15 2HG1  3.17
NOEUPP  ILE   15  HA  PRO   16 1HD   3.58      HA  PRO   16 2HD   3.58
NOEUPP  ILE   15  HA  PRO   16  QD   3.22      HA  PHE   18  QB   5.35
NOEUPP  ILE   15  QG2 PRO   16 1HD   5.50      QG2 PRO   16 2HD   5.50
NOEUPP  ILE   15  QG2 PRO   16  QD   5.11                             
NOEUPP  PRO   16  HA  PHE   17  H    2.99     1HB  PHE   17  H    4.17
NOEUPP  PRO   16 1HB  PHE   17  QD   7.62     2HB  PHE   17  H    4.17
NOEUPP  PRO   16 2HB  PHE   17  QD   7.62      QG  PHE   18  QD   8.50
NOEUPP  PRO   16  QD  PHE   17  QD   8.50                             
NOEUPP  PHE   17  H   PHE   18  H    3.58      HA  PHE   18  H    3.02
NOEUPP  PHE   17  QD  VAL   20  QG1  8.65      QD  VAL   20  QG2  8.65
NOEUPP  PHE   18  H   PRO   19  QD   5.23      HA  HIS   21  H    4.29
NOEUPP  PHE   18  HA  HIS   21  HD2  5.50      QB  PRO   19  QD   5.49
NOEUPP  PHE   18  QD  PRO   19  QD   8.50      QD  LEU   22 1HB   7.62
NOEUPP  PHE   18  QD  LEU   22 2HB   7.62      QD  LEU   22  HG   7.62
NOEUPP  PHE   18  QD  LEU   22  QD1  8.37      QD  LEU   22  QD2  8.06
NOEUPP  PRO   19  HA  HIS   21  H    4.57      HA  LEU   22  H    3.73
NOEUPP  PRO   19  HA  LYS   23  H    4.79                             
NOEUPP  VAL   20  H   VAL   20  HB   3.17      HA  LYS   23  H    3.70
NOEUPP  VAL   20  HA  LYS   23 2HB   3.24      HA  ARG   24  H    3.98
NOEUPP  VAL   20  HB  HIS   21  H    3.42      QG1 HIS   21  H    6.53
NOEUPP  VAL   20  QG1 HIS   21  HA   5.32      QG1 HIS   21 1HB   5.18
NOEUPP  VAL   20  QG1 HIS   21 2HB   5.96      QG2 HIS   21  H    6.53
NOEUPP  HIS   21  H   HIS   21 1HB   3.30      H   HIS   21 2HB   3.57
NOEUPP  HIS   21  H   HIS   21  HD2  5.50      HA  HIS   21 1HB   2.96
NOEUPP  HIS   21  HA  HIS   21 2HB   3.03      HA  HIS   21  HD2  4.79
NOEUPP  HIS   21  HA  LEU   22  H    3.55      HA  ARG   24  H    3.58
NOEUPP  HIS   21  HA  LEU   25  H    4.72     1HB  LEU   22  H    3.59
NOEUPP  HIS   21 2HB  HIS   21  HD2  3.92     2HB  LEU   22  H    3.36
NOEUPP  HIS   21  HD2 LEU   22  QD1  6.53      HD2 LEU   22  QD2  6.03
NOEUPP  LEU   22  H   LEU   22 1HB   3.21      H   LEU   22 2HB   3.51
NOEUPP  LEU   22  H   LEU   22  HG   5.50      H   LEU   22  QD1  6.53
NOEUPP  LEU   22  H   LEU   22  QD2  6.12      H   LYS   23  H    3.17
NOEUPP  LEU   22  HA  LEU   22 1HB   3.02      HA  LEU   22 2HB   3.02
NOEUPP  LEU   22  HA  LEU   22  QD1  4.54      HA  LEU   22  QD2  4.23
NOEUPP  LEU   22  HA  LEU   25  H    3.64      HA  LEU   25 2HB   3.30
NOEUPP  LEU   22 1HB  LYS   23  H    3.95     2HB  LYS   23  H    3.95
NOEUPP  LEU   22  QB  LYS   23  H    3.76      QB  ARG   24  H    4.92
NOEUPP  LEU   22  QD1 LYS   23  H    6.53      QD1 ARG   24  H    6.53
NOEUPP  LEU   22  QD1 ARG   24  HE   6.53      QD2 LYS   23  H    6.53
NOEUPP  LEU   22  QD2 ARG   24  H    6.53                             
NOEUPP  LYS   23  H   LYS   23 2HB   2.86      H   LYS   23 1HG   5.50
NOEUPP  LYS   23  H   LYS   23 2HG   5.50      H   LYS   23  QG   5.12
NOEUPP  LYS   23  HA  LYS   23 1HB   2.83      HA  LYS   23  QD   6.38
NOEUPP  LYS   23  HA  LEU   26  H    3.48      HA  LEU   26  QQD  7.32
NOEUPP  LYS   23 1HB  LYS   23  QE   6.38     1HB  ARG   24  H    4.29
NOEUPP  LYS   23 2HB  ARG   24  H    3.05                             
NOEUPP  ARG   24  H   ARG   24  HA   2.80      H   ARG   24 1HB   2.86
NOEUPP  ARG   24  H   ARG   24  QG   4.49      H   ARG   24  QD   6.38
NOEUPP  ARG   24  H   LEU   25  H    3.17      H   LEU   26  H    4.14
NOEUPP  ARG   24  HA  ARG   24 2HB   2.98      HA  ARG   24 1HG   4.23
NOEUPP  ARG   24  HA  ARG   24 2HG   4.23      HA  ARG   24  QG   3.72
NOEUPP  ARG   24  HA  ARG   24  QD   5.82      HA  ARG   24  HE   5.50
NOEUPP  ARG   24  HA  LEU   25  H    3.62      HA  ILE   27  HB   3.14
NOEUPP  ARG   24  HA  ILE   27  QG2  4.95      HA  ILE   27  QD1  4.95
NOEUPP  ARG   24  HA  LEU   28  H    3.73     1HB  ARG   24  HE   5.38
NOEUPP  ARG   24 2HB  ARG   24  HE   5.00     2HB  LEU   25  H    3.79
NOEUPP  LEU   25  H   LEU   25  HA   2.93      H   LEU   25 1HB   3.08
NOEUPP  LEU   25  H   LEU   25 2HB   3.08      H   LEU   25  QQD  7.26
NOEUPP  LEU   25  H   LEU   26  H    2.68      HA  LEU   25 1HB   2.83
NOEUPP  LEU   25  HA  LEU   28 2HB   2.96     1HB  LEU   26  H    3.58
NOEUPP  LEU   25 2HB  LEU   26  H    3.33      QQD LEU   26  H    7.63
NOEUPP  LEU   26  H   LEU   26 1HB   3.11      H   LEU   26 2HB   3.24
NOEUPP  LEU   26  H   LEU   26  HG   5.25      H   LEU   26  QQD  6.92
NOEUPP  LEU   26  HA  LEU   29  H    3.42     1HB  ILE   27  H    4.72
NOEUPP  LEU   26 2HB  ILE   27  H    3.33      HG  ILE   27  H    4.35
NOEUPP  LEU   26  QQD ILE   27  H    7.63                             
NOEUPP  ILE   27  H   ILE   27  HB   2.80      H   ILE   27 1HG1  3.70
NOEUPP  ILE   27  H   ILE   27 2HG1  3.61      H   ILE   27  QD1  5.75
NOEUPP  ILE   27  HA  ILE   27 2HG1  3.79      HA  LEU   30  H    3.74
NOEUPP  ILE   27  HA  LEU   30  QQD  6.52      HA  LEU   31  H    4.29
NOEUPP  ILE   27  HB  LEU   28  H    3.08      QG2 LEU   28  H    6.25
NOEUPP  LEU   28  H   LEU   28  HA   2.86      H   LEU   28 1HB   3.05
NOEUPP  LEU   28  H   LEU   28 2HB   2.80      H   LEU   28  HG   4.41
NOEUPP  LEU   28  H   LEU   28  QD1  5.66      H   LEU   28  QD2  6.47
NOEUPP  LEU   28  H   LEU   29  H    3.05      HA  LEU   28 1HB   2.96
NOEUPP  LEU   28  HA  LEU   28  HG   3.78      HA  LEU   28  QD1  3.55
NOEUPP  LEU   28  HA  LEU   28  QD2  4.20      HA  LEU   29  H    3.59
NOEUPP  LEU   28  HA  LEU   31  H    3.55     2HB  LEU   29  H    2.86
NOEUPP  LEU   28  HG  LEU   29  H    4.70      QD2 LEU   29  H    6.43
NOEUPP  LEU   28  QD2 LEU   31  H    6.53      QD2 LEU   31  HA   6.16
NOEUPP  LEU   29  H   LEU   29  QB   3.42      H   LEU   29  HG   4.52
NOEUPP  LEU   29  H   LEU   29  QQD  7.51      H   LEU   30  H    2.90
NOEUPP  LEU   30  H   LEU   30 1HB   2.99      H   LEU   30 2HB   2.71
NOEUPP  LEU   30  H   LEU   30  HG   4.49      H   LEU   30  QQD  7.04
NOEUPP  LEU   30  H   LEU   31  H    2.96      HA  LEU   30 1HB   2.65
NOEUPP  LEU   30  HA  LEU   30 2HB   2.96      HA  LEU   31  H    3.61
NOEUPP  LEU   30 1HB  LEU   31  H    3.76     2HB  LEU   31  H    3.36
NOEUPP  LEU   30  HG  LEU   31  H    4.54      QQD LEU   31  H    7.63
NOEUPP  LEU   31  H   LEU   31  HA   2.86      H   LEU   31 1HB   3.24
NOEUPP  LEU   31  H   LEU   31 2HB   3.54      H   LEU   31  QB   3.04
NOEUPP  LEU   31  H   LEU   31  HG   4.40      H   LEU   31  QQD  7.63
NOEUPP  LEU   31  HA  LEU   31  HG   4.20      H   LEU   31 1H    4.27
NOEUPP  LEU   31  HA  LEU   31 1H    4.37                             
NOEUPP  LEU   28  HA  LEU   31 1H    4.47                             
NOEUPP  LEU   29  HA  LEU   31 1H    4.67                             
NOEUPP  LEU   31 1HB  LEU   31 1H    5.67     2HB  LEU   31 1H    5.67

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          1H        SER   1  -5.261  21.302  18.316
    2   2H    SER   1          2H        SER   1  -5.945  22.730  17.772
    3   3H    SER   1          3H        SER   1  -5.933  21.399  16.813
    4    HA   SER   1           HA       SER   1  -3.487  22.735  17.669
    5   1HB   SER   1          1HB       SER   1  -2.641  21.321  15.667
    6   2HB   SER   1          2HB       SER   1  -3.110  20.429  17.119
    7    HG   SER   1           HG       SER   1  -4.287  20.524  14.618
    8    HA   PRO   2           HA       PRO   2  -4.374  25.144  13.743
    9   1HB   PRO   2          1HB       PRO   2  -1.997  24.891  12.370
   10   2HB   PRO   2          2HB       PRO   2  -2.229  26.071  13.695
   11   1HG   PRO   2          1HG       PRO   2  -0.993  23.301  13.842
   12   2HG   PRO   2          2HG       PRO   2  -0.324  24.844  14.469
   13   1HD   PRO   2          1HD       PRO   2  -1.659  23.138  16.093
   14   2HD   PRO   2          2HD       PRO   2  -1.875  24.900  16.251
   15    HA   PRO   3           HA       PRO   3  -5.263  21.551  11.185
   16   1HB   PRO   3          1HB       PRO   3  -4.998  22.402   8.585
   17   2HB   PRO   3          2HB       PRO   3  -6.338  22.927   9.649
   18   1HG   PRO   3          1HG       PRO   3  -3.735  24.379   9.076
   19   2HG   PRO   3          2HG       PRO   3  -5.402  25.040   9.014
   20   1HD   PRO   3          1HD       PRO   3  -3.821  25.383  11.188
   21   2HD   PRO   3          2HD       PRO   3  -5.570  25.066  11.380
   22    H    ASP   4           H        ASP   4  -4.217  19.993   9.549
   23    HA   ASP   4           HA       ASP   4  -1.298  20.030   9.773
   24   1HB   ASP   4          1HB       ASP   4  -1.434  17.735  10.242
   25   2HB   ASP   4          2HB       ASP   4  -2.669  18.458  11.268
   26    H    TYR   5           H        TYR   5  -0.744  17.931   8.166
   27    HA   TYR   5           HA       TYR   5  -1.740  18.607   5.470
   28   1HB   TYR   5          1HB       TYR   5   0.728  18.531   4.866
   29   2HB   TYR   5          2HB       TYR   5   0.170  19.935   5.747
   30    HD1  TYR   5           HD1      TYR   5   1.111  20.531   7.867
   31    HD2  TYR   5           HD2      TYR   5   1.995  16.684   6.126
   32    HE1  TYR   5           HE1      TYR   5   2.826  20.138   9.614
   33    HE2  TYR   5           HE2      TYR   5   3.703  16.281   7.866
   34    HH   TYR   5           HH       TYR   5   4.737  17.118   9.785
   35    H    SER   6           H        SER   6  -2.126  16.154   7.382
   36    HA   SER   6           HA       SER   6  -0.497  14.046   6.466
   37   1HB   SER   6          1HB       SER   6  -3.279  13.870   7.669
   38   2HB   SER   6          2HB       SER   6  -2.039  12.601   7.645
   39    HG   SER   6           HG       SER   6  -2.162  15.024   9.051
   40    H    ALA   7           H        ALA   7  -2.361  15.583   4.348
   41    HA   ALA   7           HA       ALA   7  -3.788  13.399   3.018
   42   1HB   ALA   7          1HB       ALA   7  -3.028  16.204   2.073
   43   2HB   ALA   7          2HB       ALA   7  -4.089  15.071   1.210
   44   3HB   ALA   7          3HB       ALA   7  -4.584  15.722   2.788
   45    H    ALA   8           H        ALA   8  -2.013  11.951   3.122
   46    HA   ALA   8           HA       ALA   8   0.481  11.991   2.459
   47   1HB   ALA   8          1HB       ALA   8  -1.406   9.811   1.495
   48   2HB   ALA   8          2HB       ALA   8   0.346   9.634   1.694
   49   3HB   ALA   8          3HB       ALA   8  -0.677   9.953   3.113
   50    HA   PRO   9           HA       PRO   9   0.696  13.424  -1.808
   51   1HB   PRO   9          1HB       PRO   9   3.444  13.405  -2.130
   52   2HB   PRO   9          2HB       PRO   9   2.537  14.685  -1.269
   53   1HG   PRO   9          1HG       PRO   9   3.997  12.318  -0.090
   54   2HG   PRO   9          2HG       PRO   9   4.016  14.018   0.460
   55   1HD   PRO   9          1HD       PRO   9   2.452  12.099   1.612
   56   2HD   PRO   9          2HD       PRO   9   1.906  13.799   1.480
   57    H    ARG  10           H        ARG  10   1.566  12.536  -3.905
   58    HA   ARG  10           HA       ARG  10   2.431   9.807  -4.004
   59   1HB   ARG  10          1HB       ARG  10   0.458   9.045  -5.373
   60   2HB   ARG  10          2HB       ARG  10   0.170   9.172  -3.653
   61   1HG   ARG  10          1HG       ARG  10  -0.674  11.409  -5.538
   62   2HG   ARG  10          2HG       ARG  10  -1.647   9.954  -5.322
   63   1HD   ARG  10          1HD       ARG  10  -1.762  10.382  -2.863
   64   2HD   ARG  10          2HD       ARG  10  -0.896  11.903  -3.114
   65    HE   ARG  10           HE       ARG  10  -3.220  11.700  -4.791
   66   1HH1  ARG  10          1HH1      ARG  10  -2.228  12.442  -1.444
   67   2HH1  ARG  10          2HH1      ARG  10  -3.463  13.592  -1.159
   68   1HH2  ARG  10          1HH2      ARG  10  -4.982  13.168  -4.378
   69   2HH2  ARG  10          2HH2      ARG  10  -5.121  13.940  -2.847
   70    H    GLY  11           H        GLY  11   2.967   9.269  -6.264
   71   1HA   GLY  11          1HA       GLY  11   3.776   9.718  -8.327
   72   2HA   GLY  11          2HA       GLY  11   2.678  11.102  -8.434
   73    H    ARG  12           H        ARG  12   4.641  11.523  -5.722
   74    HA   ARG  12           HA       ARG  12   7.099  12.381  -6.743
   75   1HB   ARG  12          1HB       ARG  12   5.135  14.542  -5.781
   76   2HB   ARG  12          2HB       ARG  12   6.893  14.711  -5.816
   77   1HG   ARG  12          1HG       ARG  12   6.707  14.176  -8.355
   78   2HG   ARG  12          2HG       ARG  12   4.987  14.543  -8.166
   79   1HD   ARG  12          1HD       ARG  12   7.351  16.374  -7.576
   80   2HD   ARG  12          2HD       ARG  12   6.233  16.505  -8.941
   81    HE   ARG  12           HE       ARG  12   4.660  16.610  -6.643
   82   1HH1  ARG  12          1HH1      ARG  12   7.214  18.567  -8.115
   83   2HH1  ARG  12          2HH1      ARG  12   6.730  20.058  -7.401
   84   1HH2  ARG  12          1HH2      ARG  12   3.977  18.616  -5.652
   85   2HH2  ARG  12          2HH2      ARG  12   4.824  20.077  -5.970
   86    H    PHE  13           H        PHE  13   8.073  11.477  -5.142
   87    HA   PHE  13           HA       PHE  13   8.441  10.301  -3.125
   88   1HB   PHE  13          1HB       PHE  13   8.565  13.264  -2.552
   89   2HB   PHE  13          2HB       PHE  13   9.399  12.018  -1.619
   90    HD1  PHE  13           HD1      PHE  13   9.576  14.239  -4.458
   91    HD2  PHE  13           HD2      PHE  13  11.156  10.551  -2.860
   92    HE1  PHE  13           HE1      PHE  13  11.496  14.370  -6.029
   93    HE2  PHE  13           HE2      PHE  13  13.065  10.697  -4.435
   94    HZ   PHE  13           HZ       PHE  13  13.234  12.598  -6.022
   95    H    GLY  14           H        GLY  14   6.308   9.281  -2.700
   96   1HA   GLY  14          1HA       GLY  14   5.040  10.339  -0.318
   97   2HA   GLY  14          2HA       GLY  14   4.066  10.420  -1.793
   98    H    ILE  15           H        ILE  15   2.766   8.989  -0.243
   99    HA   ILE  15           HA       ILE  15   3.637   6.122  -0.222
  100    HB   ILE  15           HB       ILE  15   2.057   7.739   1.792
  101   1HG1  ILE  15          1HG1      ILE  15   4.040   6.504   3.213
  102   2HG1  ILE  15          2HG1      ILE  15   4.872   6.696   1.679
  103   1HG2  ILE  15          1HG2      ILE  15   1.960   5.636   3.140
  104   2HG2  ILE  15          2HG2      ILE  15   0.968   5.604   1.693
  105   3HG2  ILE  15          3HG2      ILE  15   2.503   4.737   1.704
  106   1HD1  ILE  15          1HD1      ILE  15   5.285   8.575   3.228
  107   2HD1  ILE  15          2HD1      ILE  15   4.440   9.161   1.789
  108   3HD1  ILE  15          3HD1      ILE  15   3.547   8.919   3.306
  109    HA   PRO  16           HA       PRO  16  -0.244   6.072  -2.605
  110   1HB   PRO  16          1HB       PRO  16   0.441   4.140  -4.425
  111   2HB   PRO  16          2HB       PRO  16   0.968   5.838  -4.608
  112   1HG   PRO  16          1HG       PRO  16   2.528   3.525  -3.429
  113   2HG   PRO  16          2HG       PRO  16   3.071   4.703  -4.665
  114   1HD   PRO  16          1HD       PRO  16   3.679   5.000  -2.022
  115   2HD   PRO  16          2HD       PRO  16   3.333   6.410  -3.054
  116    H    PHE  17           H        PHE  17  -1.243   3.522  -3.163
  117    HA   PHE  17           HA       PHE  17  -1.703   2.323  -0.615
  118   1HB   PHE  17          1HB       PHE  17  -2.952   0.651  -2.027
  119   2HB   PHE  17          2HB       PHE  17  -3.402   2.321  -2.275
  120    HD1  PHE  17           HD1      PHE  17  -1.401  -0.496  -3.775
  121    HD2  PHE  17           HD2      PHE  17  -3.284   3.342  -4.436
  122    HE1  PHE  17           HE1      PHE  17  -0.955  -0.686  -6.190
  123    HE2  PHE  17           HE2      PHE  17  -2.836   3.128  -6.865
  124    HZ   PHE  17           HZ       PHE  17  -1.664   1.121  -7.745
  125    H    PHE  18           H        PHE  18   1.233   2.247  -1.521
  126    HA   PHE  18           HA       PHE  18   1.986  -0.238  -2.515
  127   1HB   PHE  18          1HB       PHE  18   4.187   0.257  -2.014
  128   2HB   PHE  18          2HB       PHE  18   3.442   1.814  -2.241
  129    HD1  PHE  18           HD1      PHE  18   4.893  -0.516   0.223
  130    HD2  PHE  18           HD2      PHE  18   3.457   3.495  -0.464
  131    HE1  PHE  18           HE1      PHE  18   6.007   0.238   2.300
  132    HE2  PHE  18           HE2      PHE  18   4.673   4.251   1.574
  133    HZ   PHE  18           HZ       PHE  18   5.904   2.628   2.970
  134    HA   PRO  19           HA       PRO  19   2.632  -2.010   1.854
  135   1HB   PRO  19          1HB       PRO  19   0.991  -1.357   3.953
  136   2HB   PRO  19          2HB       PRO  19   2.526  -0.518   3.572
  137   1HG   PRO  19          1HG       PRO  19  -0.284   0.290   2.753
  138   2HG   PRO  19          2HG       PRO  19   0.978   1.305   3.532
  139   1HD   PRO  19          1HD       PRO  19   0.616   1.388   0.895
  140   2HD   PRO  19          2HD       PRO  19   2.265   1.376   1.566
  141    H    VAL  20           H        VAL  20  -0.373  -1.625   0.202
  142    HA   VAL  20           HA       VAL  20  -1.969  -3.679   1.343
  143    HB   VAL  20           HB       VAL  20  -1.573  -2.463  -1.434
  144   1HG1  VAL  20          1HG1      VAL  20  -3.617  -3.623  -2.225
  145   2HG1  VAL  20          2HG1      VAL  20  -2.198  -4.622  -2.097
  146   3HG1  VAL  20          3HG1      VAL  20  -3.443  -4.751  -0.835
  147   1HG2  VAL  20          1HG2      VAL  20  -3.808  -1.525  -1.040
  148   2HG2  VAL  20          2HG2      VAL  20  -3.947  -2.418   0.489
  149   3HG2  VAL  20          3HG2      VAL  20  -2.745  -1.119   0.309
  150    H    HIS  21           H        HIS  21   0.222  -3.890  -1.424
  151    HA   HIS  21           HA       HIS  21  -0.039  -6.618  -1.917
  152   1HB   HIS  21          1HB       HIS  21   2.150  -4.601  -2.303
  153   2HB   HIS  21          2HB       HIS  21   2.168  -6.156  -3.153
  154    HD1  HIS  21           HD1      HIS  21  -0.152  -6.245  -5.001
  155    HD2  HIS  21           HD2      HIS  21   1.067  -2.602  -3.255
  156    HE1  HIS  21           HE1      HIS  21  -1.331  -4.391  -6.284
  157    H    LEU  22           H        LEU  22   2.345  -4.912   0.044
  158    HA   LEU  22           HA       LEU  22   3.841  -7.205   0.884
  159   1HB   LEU  22          1HB       LEU  22   3.561  -4.436   2.137
  160   2HB   LEU  22          2HB       LEU  22   4.702  -5.663   2.627
  161    HG   LEU  22           HG       LEU  22   6.063  -4.371   1.349
  162   1HD1  LEU  22          1HD1      LEU  22   6.581  -5.425  -0.769
  163   2HD1  LEU  22          2HD1      LEU  22   6.123  -6.680   0.394
  164   3HD1  LEU  22          3HD1      LEU  22   4.977  -6.162  -0.870
  165   1HD2  LEU  22          1HD2      LEU  22   4.330  -2.798   0.578
  166   2HD2  LEU  22          2HD2      LEU  22   5.516  -3.173  -0.674
  167   3HD2  LEU  22          3HD2      LEU  22   3.910  -3.908  -0.747
  168    H    LYS  23           H        LYS  23   1.173  -5.341   2.594
  169    HA   LYS  23           HA       LYS  23   1.290  -7.166   4.812
  170   1HB   LYS  23          1HB       LYS  23   0.240  -4.870   4.865
  171   2HB   LYS  23          2HB       LYS  23  -1.137  -5.522   3.951
  172   1HG   LYS  23          1HG       LYS  23  -1.569  -7.152   5.780
  173   2HG   LYS  23          2HG       LYS  23  -0.088  -6.661   6.593
  174   1HD   LYS  23          1HD       LYS  23  -1.839  -5.718   7.808
  175   2HD   LYS  23          2HD       LYS  23  -1.096  -4.371   6.931
  176   1HE   LYS  23          1HE       LYS  23  -2.918  -4.365   5.302
  177   2HE   LYS  23          2HE       LYS  23  -3.564  -5.881   5.951
  178   1HZ   LYS  23          1HZ       LYS  23  -3.482  -3.321   7.432
  179   2HZ   LYS  23          2HZ       LYS  23  -4.818  -3.987   6.744
  180   3HZ   LYS  23          3HZ       LYS  23  -4.085  -4.740   8.002
  181    H    ARG  24           H        ARG  24  -0.246  -7.328   1.651
  182    HA   ARG  24           HA       ARG  24  -1.914  -9.594   2.251
  183   1HB   ARG  24          1HB       ARG  24  -2.436  -8.221   0.376
  184   2HB   ARG  24          2HB       ARG  24  -0.856  -8.420  -0.336
  185   1HG   ARG  24          1HG       ARG  24  -2.241 -11.022  -0.001
  186   2HG   ARG  24          2HG       ARG  24  -3.189  -9.864  -0.908
  187   1HD   ARG  24          1HD       ARG  24  -1.824 -11.191  -2.430
  188   2HD   ARG  24          2HD       ARG  24  -1.398  -9.490  -2.501
  189    HE   ARG  24           HE       ARG  24   0.661  -9.880  -1.479
  190   1HH1  ARG  24          1HH1      ARG  24  -1.127 -12.942  -1.583
  191   2HH1  ARG  24          2HH1      ARG  24   0.265 -13.948  -1.675
  192   1HH2  ARG  24          1HH2      ARG  24   2.545 -11.201  -1.657
  193   2HH2  ARG  24          2HH2      ARG  24   2.421 -12.920  -1.685
  194    H    LEU  25           H        LEU  25   1.531  -9.259   1.445
  195    HA   LEU  25           HA       LEU  25   1.973 -12.080   0.976
  196   1HB   LEU  25          1HB       LEU  25   3.508 -10.095   0.398
  197   2HB   LEU  25          2HB       LEU  25   3.999 -10.083   2.083
  198    HG   LEU  25           HG       LEU  25   4.217 -12.578   0.353
  199   1HD1  LEU  25          1HD1      LEU  25   6.316 -10.412   0.796
  200   2HD1  LEU  25          2HD1      LEU  25   6.569 -11.951  -0.047
  201   3HD1  LEU  25          3HD1      LEU  25   5.472 -10.748  -0.732
  202   1HD2  LEU  25          1HD2      LEU  25   6.071 -13.138   1.971
  203   2HD2  LEU  25          2HD2      LEU  25   5.611 -11.727   2.942
  204   3HD2  LEU  25          3HD2      LEU  25   4.494 -13.094   2.732
  205    H    LEU  26           H        LEU  26   2.259  -9.927   3.816
  206    HA   LEU  26           HA       LEU  26   2.978 -11.980   5.649
  207   1HB   LEU  26          1HB       LEU  26   3.263  -9.596   6.140
  208   2HB   LEU  26          2HB       LEU  26   1.511  -9.365   6.159
  209    HG   LEU  26           HG       LEU  26   1.306 -10.817   8.150
  210   1HD1  LEU  26          1HD1      LEU  26   3.366 -11.492   9.401
  211   2HD1  LEU  26          2HD1      LEU  26   3.206 -12.352   7.876
  212   3HD1  LEU  26          3HD1      LEU  26   4.358 -11.002   8.013
  213   1HD2  LEU  26          1HD2      LEU  26   2.368  -9.289   9.745
  214   2HD2  LEU  26          2HD2      LEU  26   3.403  -8.630   8.464
  215   3HD2  LEU  26          3HD2      LEU  26   1.640  -8.389   8.407
  216    H    ILE  27           H        ILE  27  -0.292 -10.739   4.815
  217    HA   ILE  27           HA       ILE  27  -1.731 -12.410   6.613
  218    HB   ILE  27           HB       ILE  27  -2.464 -11.063   3.991
  219   1HG1  ILE  27          1HG1      ILE  27  -3.431 -10.481   6.831
  220   2HG1  ILE  27          2HG1      ILE  27  -1.974  -9.751   6.185
  221   1HG2  ILE  27          1HG2      ILE  27  -4.865 -11.534   4.511
  222   2HG2  ILE  27          2HG2      ILE  27  -3.968 -13.007   4.182
  223   3HG2  ILE  27          3HG2      ILE  27  -4.351 -12.574   5.856
  224   1HD1  ILE  27          1HD1      ILE  27  -4.777  -9.374   5.059
  225   2HD1  ILE  27          2HD1      ILE  27  -3.805  -8.197   5.947
  226   3HD1  ILE  27          3HD1      ILE  27  -3.287  -8.726   4.332
  227    H    LEU  28           H        LEU  28  -0.616 -13.026   3.219
  228    HA   LEU  28           HA       LEU  28  -1.778 -15.653   3.085
  229   1HB   LEU  28          1HB       LEU  28  -0.990 -14.166   1.204
  230   2HB   LEU  28          2HB       LEU  28   0.655 -14.661   1.598
  231    HG   LEU  28           HG       LEU  28  -0.382 -15.866  -0.228
  232   1HD1  LEU  28          1HD1      LEU  28   0.425 -18.002   0.208
  233   2HD1  LEU  28          2HD1      LEU  28   1.337 -16.959   1.338
  234   3HD1  LEU  28          3HD1      LEU  28  -0.019 -17.954   1.904
  235   1HD2  LEU  28          1HD2      LEU  28  -2.201 -17.474   0.014
  236   2HD2  LEU  28          2HD2      LEU  28  -2.239 -17.261   1.754
  237   3HD2  LEU  28          3HD2      LEU  28  -2.769 -15.935   0.709
  238    H    LEU  29           H        LEU  29   1.481 -14.595   3.988
  239    HA   LEU  29           HA       LEU  29   2.581 -17.095   4.649
  240   1HB   LEU  29          1HB       LEU  29   3.791 -14.960   4.628
  241   2HB   LEU  29          2HB       LEU  29   3.011 -14.455   6.122
  242    HG   LEU  29           HG       LEU  29   4.632 -17.027   6.007
  243   1HD1  LEU  29          1HD1      LEU  29   5.699 -14.212   6.503
  244   2HD1  LEU  29          2HD1      LEU  29   6.611 -15.724   6.706
  245   3HD1  LEU  29          3HD1      LEU  29   6.064 -15.243   5.098
  246   1HD2  LEU  29          1HD2      LEU  29   4.004 -15.053   8.267
  247   2HD2  LEU  29          2HD2      LEU  29   3.394 -16.715   8.118
  248   3HD2  LEU  29          3HD2      LEU  29   5.099 -16.444   8.408
  249    H    LEU  30           H        LEU  30   0.621 -14.971   6.788
  250    HA   LEU  30           HA       LEU  30   0.457 -16.771   8.980
  251   1HB   LEU  30          1HB       LEU  30  -0.117 -14.356   9.026
  252   2HB   LEU  30          2HB       LEU  30  -1.534 -14.689   8.047
  253    HG   LEU  30           HG       LEU  30  -2.504 -16.091   9.843
  254   1HD1  LEU  30          1HD1      LEU  30  -0.500 -16.907  10.991
  255   2HD1  LEU  30          2HD1      LEU  30  -0.035 -15.249  11.439
  256   3HD1  LEU  30          3HD1      LEU  30  -1.491 -16.003  12.130
  257   1HD2  LEU  30          1HD2      LEU  30  -3.021 -14.253  11.382
  258   2HD2  LEU  30          2HD2      LEU  30  -1.639 -13.319  10.765
  259   3HD2  LEU  30          3HD2      LEU  30  -3.022 -13.689   9.705
  260    H    LEU  31           H        LEU  31  -1.628 -16.382   6.145
  261    HA   LEU  31           HA       LEU  31  -3.548 -18.407   6.772
  262   1HB   LEU  31          1HB       LEU  31  -3.778 -16.534   5.131
  263   2HB   LEU  31          2HB       LEU  31  -2.781 -17.453   4.015
  264    HG   LEU  31           HG       LEU  31  -5.013 -19.064   5.114
  265   1HD1  LEU  31          1HD1      LEU  31  -6.819 -17.917   3.918
  266   2HD1  LEU  31          2HD1      LEU  31  -6.149 -16.900   5.200
  267   3HD1  LEU  31          3HD1      LEU  31  -5.718 -16.580   3.503
  268   1HD2  LEU  31          1HD2      LEU  31  -3.663 -19.673   3.082
  269   2HD2  LEU  31          2HD2      LEU  31  -5.399 -19.609   2.774
  270   3HD2  LEU  31          3HD2      LEU  31  -4.358 -18.273   2.234
  271   1HN   NH2  32          1HN       NH2  32  -0.212 -18.808   5.930
  272   2HN   NH2  32          2HN       NH2  32  -0.341 -20.509   5.526
  Start of MODEL    2
    1   1H    SER   1          1H        SER   1 -21.110   8.132 -10.560
    2   2H    SER   1          2H        SER   1 -20.320   7.877 -12.012
    3   3H    SER   1          3H        SER   1 -19.808   7.123 -10.649
    4    HA   SER   1           HA       SER   1 -19.727  10.020 -10.970
    5   1HB   SER   1          1HB       SER   1 -18.150   9.700  -8.957
    6   2HB   SER   1          2HB       SER   1 -19.853   9.330  -8.654
    7    HG   SER   1           HG       SER   1 -17.645   7.657  -8.783
    8    HA   PRO   2           HA       PRO   2 -15.513   8.923 -12.699
    9   1HB   PRO   2          1HB       PRO   2 -13.845  10.515 -11.181
   10   2HB   PRO   2          2HB       PRO   2 -14.754  11.123 -12.600
   11   1HG   PRO   2          1HG       PRO   2 -15.519  11.301  -9.666
   12   2HG   PRO   2          2HG       PRO   2 -15.504  12.617 -10.885
   13   1HD   PRO   2          1HD       PRO   2 -17.793  11.318 -10.263
   14   2HD   PRO   2          2HD       PRO   2 -17.442  11.777 -11.948
   15    HA   PRO   3           HA       PRO   3 -14.389   6.084  -9.394
   16   1HB   PRO   3          1HB       PRO   3 -11.712   5.632  -9.734
   17   2HB   PRO   3          2HB       PRO   3 -12.941   5.064 -10.903
   18   1HG   PRO   3          1HG       PRO   3 -11.270   7.597 -11.053
   19   2HG   PRO   3          2HG       PRO   3 -11.512   6.360 -12.327
   20   1HD   PRO   3          1HD       PRO   3 -12.967   8.657 -12.243
   21   2HD   PRO   3          2HD       PRO   3 -13.713   7.112 -12.753
   22    H    ASP   4           H        ASP   4 -12.848   5.844  -7.451
   23    HA   ASP   4           HA       ASP   4 -12.555   8.353  -6.001
   24   1HB   ASP   4          1HB       ASP   4 -12.384   6.825  -4.114
   25   2HB   ASP   4          2HB       ASP   4 -13.735   6.293  -5.111
   26    H    TYR   5           H        TYR   5 -10.744   7.439  -8.195
   27    HA   TYR   5           HA       TYR   5  -8.340   6.333  -7.543
   28   1HB   TYR   5          1HB       TYR   5  -7.626   6.928  -9.665
   29   2HB   TYR   5          2HB       TYR   5  -9.356   6.753  -9.800
   30    HD1  TYR   5           HD1      TYR   5  -6.849   8.482 -11.191
   31    HD2  TYR   5           HD2      TYR   5 -10.474   9.410  -9.022
   32    HE1  TYR   5           HE1      TYR   5  -6.952  10.706 -12.280
   33    HE2  TYR   5           HE2      TYR   5 -10.564  11.594 -10.074
   34    HH   TYR   5           HH       TYR   5  -9.489  13.097 -11.500
   35    H    SER   6           H        SER   6  -8.914   8.716  -5.759
   36    HA   SER   6           HA       SER   6  -7.119  10.836  -5.887
   37   1HB   SER   6          1HB       SER   6  -8.297   9.603  -3.373
   38   2HB   SER   6          2HB       SER   6  -8.022  11.311  -3.738
   39    HG   SER   6           HG       SER   6 -10.084   9.594  -4.481
   40    H    ALA   7           H        ALA   7  -5.577   8.262  -6.147
   41    HA   ALA   7           HA       ALA   7  -4.361   7.511  -3.674
   42   1HB   ALA   7          1HB       ALA   7  -2.704   6.354  -5.114
   43   2HB   ALA   7          2HB       ALA   7  -4.368   6.052  -5.667
   44   3HB   ALA   7          3HB       ALA   7  -3.335   7.216  -6.532
   45    H    ALA   8           H        ALA   8  -2.592   8.217  -2.631
   46    HA   ALA   8           HA       ALA   8  -1.553  10.794  -2.907
   47   1HB   ALA   8          1HB       ALA   8  -0.277   8.317  -1.676
   48   2HB   ALA   8          2HB       ALA   8   0.200   9.978  -1.313
   49   3HB   ALA   8          3HB       ALA   8  -1.411   9.409  -0.849
   50    HA   PRO   9           HA       PRO   9   1.157  10.638  -6.263
   51   1HB   PRO   9          1HB       PRO   9   3.328  12.225  -5.593
   52   2HB   PRO   9          2HB       PRO   9   1.689  12.845  -5.952
   53   1HG   PRO   9          1HG       PRO   9   2.907  12.267  -3.237
   54   2HG   PRO   9          2HG       PRO   9   2.020  13.732  -3.763
   55   1HD   PRO   9          1HD       PRO   9   0.782  11.768  -2.382
   56   2HD   PRO   9          2HD       PRO   9  -0.064  12.597  -3.720
   57    H    ARG  10           H        ARG  10   3.305  10.026  -7.106
   58    HA   ARG  10           HA       ARG  10   4.958   8.382  -5.356
   59   1HB   ARG  10          1HB       ARG  10   4.904   6.444  -7.041
   60   2HB   ARG  10          2HB       ARG  10   3.639   6.638  -5.857
   61   1HG   ARG  10          1HG       ARG  10   2.395   6.003  -7.597
   62   2HG   ARG  10          2HG       ARG  10   2.220   7.729  -7.777
   63   1HD   ARG  10          1HD       ARG  10   4.131   5.936  -9.354
   64   2HD   ARG  10          2HD       ARG  10   2.538   6.487  -9.900
   65    HE   ARG  10           HE       ARG  10   4.257   8.674  -9.139
   66   1HH1  ARG  10          1HH1      ARG  10   3.473   6.572 -11.889
   67   2HH1  ARG  10          2HH1      ARG  10   4.147   7.630 -13.069
   68   1HH2  ARG  10          1HH2      ARG  10   5.175  10.026 -10.610
   69   2HH2  ARG  10          2HH2      ARG  10   5.137   9.710 -12.315
   70    H    GLY  11           H        GLY  11   7.092   8.193  -6.120
   71   1HA   GLY  11          1HA       GLY  11   8.940   8.834  -7.326
   72   2HA   GLY  11          2HA       GLY  11   7.909   9.408  -8.647
   73    H    ARG  12           H        ARG  12   6.784  10.760  -5.779
   74    HA   ARG  12           HA       ARG  12   8.669  12.866  -5.314
   75   1HB   ARG  12          1HB       ARG  12   5.995  13.517  -6.659
   76   2HB   ARG  12          2HB       ARG  12   6.833  14.633  -5.579
   77   1HG   ARG  12          1HG       ARG  12   8.885  14.379  -7.102
   78   2HG   ARG  12          2HG       ARG  12   7.783  13.625  -8.276
   79   1HD   ARG  12          1HD       ARG  12   6.401  15.647  -8.333
   80   2HD   ARG  12          2HD       ARG  12   7.359  16.374  -7.026
   81    HE   ARG  12           HE       ARG  12   9.055  15.661  -9.201
   82   1HH1  ARG  12          1HH1      ARG  12   6.667  18.122  -8.283
   83   2HH1  ARG  12          2HH1      ARG  12   7.342  19.376  -9.249
   84   1HH2  ARG  12          1HH2      ARG  12   9.990  17.347 -10.510
   85   2HH2  ARG  12          2HH2      ARG  12   9.282  18.909 -10.555
   86    H    PHE  13           H        PHE  13   8.660  12.222  -3.269
   87    HA   PHE  13           HA       PHE  13   7.872  11.298  -1.267
   88   1HB   PHE  13          1HB       PHE  13   7.126  14.228  -1.362
   89   2HB   PHE  13          2HB       PHE  13   7.502  13.294   0.083
   90    HD1  PHE  13           HD1      PHE  13   8.864  15.390  -2.485
   91    HD2  PHE  13           HD2      PHE  13   9.869  12.138   0.174
   92    HE1  PHE  13           HE1      PHE  13  11.281  15.870  -2.795
   93    HE2  PHE  13           HE2      PHE  13  12.276  12.626  -0.150
   94    HZ   PHE  13           HZ       PHE  13  12.986  14.482  -1.638
   95    H    GLY  14           H        GLY  14   6.091   9.758  -1.895
   96   1HA   GLY  14          1HA       GLY  14   3.790  10.451  -0.369
   97   2HA   GLY  14          2HA       GLY  14   3.411  10.327  -2.091
   98    H    ILE  15           H        ILE  15   2.259   8.583  -0.368
   99    HA   ILE  15           HA       ILE  15   3.498   5.895  -0.789
  100    HB   ILE  15           HB       ILE  15   2.368   7.088   1.761
  101   1HG1  ILE  15          1HG1      ILE  15   5.166   6.056   1.119
  102   2HG1  ILE  15          2HG1      ILE  15   4.704   7.733   1.384
  103   1HG2  ILE  15          1HG2      ILE  15   3.227   4.214   1.245
  104   2HG2  ILE  15          2HG2      ILE  15   2.675   4.882   2.793
  105   3HG2  ILE  15          3HG2      ILE  15   1.565   4.766   1.446
  106   1HD1  ILE  15          1HD1      ILE  15   4.741   5.541   3.475
  107   2HD1  ILE  15          2HD1      ILE  15   5.765   6.978   3.366
  108   3HD1  ILE  15          3HD1      ILE  15   4.037   7.161   3.729
  109    HA   PRO  16           HA       PRO  16  -0.878   6.008  -2.151
  110   1HB   PRO  16          1HB       PRO  16  -0.609   4.342  -4.330
  111   2HB   PRO  16          2HB       PRO  16  -0.235   6.084  -4.389
  112   1HG   PRO  16          1HG       PRO  16   1.695   3.785  -3.986
  113   2HG   PRO  16          2HG       PRO  16   1.835   5.165  -5.122
  114   1HD   PRO  16          1HD       PRO  16   3.092   5.152  -2.706
  115   2HD   PRO  16          2HD       PRO  16   2.411   6.657  -3.359
  116    H    PHE  17           H        PHE  17  -1.954   3.562  -2.859
  117    HA   PHE  17           HA       PHE  17  -1.996   2.025  -0.501
  118   1HB   PHE  17          1HB       PHE  17  -3.402   0.504  -1.941
  119   2HB   PHE  17          2HB       PHE  17  -3.886   2.184  -1.967
  120    HD1  PHE  17           HD1      PHE  17  -4.007   3.418  -4.021
  121    HD2  PHE  17           HD2      PHE  17  -2.015  -0.419  -3.937
  122    HE1  PHE  17           HE1      PHE  17  -3.780   3.471  -6.483
  123    HE2  PHE  17           HE2      PHE  17  -1.799  -0.350  -6.401
  124    HZ   PHE  17           HZ       PHE  17  -2.672   1.596  -7.679
  125    H    PHE  18           H        PHE  18   0.789   2.119  -1.835
  126    HA   PHE  18           HA       PHE  18   1.350  -0.340  -3.110
  127   1HB   PHE  18          1HB       PHE  18   3.608   0.172  -3.038
  128   2HB   PHE  18          2HB       PHE  18   2.829   1.731  -3.044
  129    HD1  PHE  18           HD1      PHE  18   3.586   3.392  -1.573
  130    HD2  PHE  18           HD2      PHE  18   4.467  -0.748  -0.761
  131    HE1  PHE  18           HE1      PHE  18   5.289   4.062   0.100
  132    HE2  PHE  18           HE2      PHE  18   6.063  -0.067   0.995
  133    HZ   PHE  18           HZ       PHE  18   6.490   2.344   1.421
  134    HA   PRO  19           HA       PRO  19   2.692  -2.156   1.064
  135   1HB   PRO  19          1HB       PRO  19   1.485  -1.476   3.429
  136   2HB   PRO  19          2HB       PRO  19   2.950  -0.680   2.774
  137   1HG   PRO  19          1HG       PRO  19   0.065   0.223   2.509
  138   2HG   PRO  19          2HG       PRO  19   1.487   1.192   3.023
  139   1HD   PRO  19          1HD       PRO  19   0.584   1.273   0.515
  140   2HD   PRO  19          2HD       PRO  19   2.337   1.273   0.829
  141    H    VAL  20           H        VAL  20  -0.548  -1.699  -0.059
  142    HA   VAL  20           HA       VAL  20  -1.959  -3.720   1.366
  143    HB   VAL  20           HB       VAL  20  -2.058  -2.581  -1.458
  144   1HG1  VAL  20          1HG1      VAL  20  -2.809  -4.813  -1.837
  145   2HG1  VAL  20          2HG1      VAL  20  -3.892  -4.746  -0.434
  146   3HG1  VAL  20          3HG1      VAL  20  -4.178  -3.724  -1.877
  147   1HG2  VAL  20          1HG2      VAL  20  -4.023  -2.420   0.875
  148   2HG2  VAL  20          2HG2      VAL  20  -2.861  -1.153   0.419
  149   3HG2  VAL  20          3HG2      VAL  20  -4.171  -1.585  -0.685
  150    H    HIS  21           H        HIS  21  -0.108  -3.925  -1.679
  151    HA   HIS  21           HA       HIS  21  -0.498  -6.696  -2.094
  152   1HB   HIS  21          1HB       HIS  21   1.394  -4.544  -2.978
  153   2HB   HIS  21          2HB       HIS  21   1.719  -6.206  -3.490
  154    HD1  HIS  21           HD1      HIS  21  -1.999  -5.264  -3.538
  155    HD2  HIS  21           HD2      HIS  21   1.433  -5.045  -5.991
  156    HE1  HIS  21           HE1      HIS  21  -2.809  -4.760  -5.889
  157    H    LEU  22           H        LEU  22   1.977  -4.968  -0.301
  158    HA   LEU  22           HA       LEU  22   3.633  -7.298   0.234
  159   1HB   LEU  22          1HB       LEU  22   3.560  -4.481   1.416
  160   2HB   LEU  22          2HB       LEU  22   4.710  -5.708   1.873
  161    HG   LEU  22           HG       LEU  22   5.947  -4.482   0.401
  162   1HD1  LEU  22          1HD1      LEU  22   5.955  -6.894  -0.291
  163   2HD1  LEU  22          2HD1      LEU  22   4.752  -6.500  -1.548
  164   3HD1  LEU  22          3HD1      LEU  22   6.361  -5.768  -1.598
  165   1HD2  LEU  22          1HD2      LEU  22   5.246  -3.513  -1.699
  166   2HD2  LEU  22          2HD2      LEU  22   3.645  -4.256  -1.580
  167   3HD2  LEU  22          3HD2      LEU  22   4.146  -3.014  -0.414
  168    H    LYS  23           H        LYS  23   1.289  -5.378   2.280
  169    HA   LYS  23           HA       LYS  23   1.582  -7.192   4.473
  170   1HB   LYS  23          1HB       LYS  23   0.586  -4.869   4.587
  171   2HB   LYS  23          2HB       LYS  23  -0.883  -5.514   3.829
  172   1HG   LYS  23          1HG       LYS  23  -1.146  -7.106   5.722
  173   2HG   LYS  23          2HG       LYS  23   0.367  -6.530   6.432
  174   1HD   LYS  23          1HD       LYS  23  -0.645  -4.292   6.762
  175   2HD   LYS  23          2HD       LYS  23  -2.163  -4.877   6.032
  176   1HE   LYS  23          1HE       LYS  23  -2.309  -6.642   7.799
  177   2HE   LYS  23          2HE       LYS  23  -0.824  -6.026   8.533
  178   1HZ   LYS  23          1HZ       LYS  23  -3.362  -4.520   8.288
  179   2HZ   LYS  23          2HZ       LYS  23  -2.776  -5.202   9.659
  180   3HZ   LYS  23          3HZ       LYS  23  -1.977  -3.945   8.975
  181    H    ARG  24           H        ARG  24  -0.284  -7.395   1.480
  182    HA   ARG  24           HA       ARG  24  -1.963  -9.579   2.289
  183   1HB   ARG  24          1HB       ARG  24  -2.561  -8.343   0.375
  184   2HB   ARG  24          2HB       ARG  24  -1.001  -8.511  -0.377
  185   1HG   ARG  24          1HG       ARG  24  -3.017 -10.774  -0.011
  186   2HG   ARG  24          2HG       ARG  24  -2.850  -9.780  -1.448
  187   1HD   ARG  24          1HD       ARG  24  -1.041 -11.972  -0.477
  188   2HD   ARG  24          2HD       ARG  24  -1.753 -11.711  -2.062
  189    HE   ARG  24           HE       ARG  24   0.053  -9.570  -1.466
  190   1HH1  ARG  24          1HH1      ARG  24   0.172 -13.011  -2.289
  191   2HH1  ARG  24          2HH1      ARG  24   1.781 -12.963  -2.903
  192   1HH2  ARG  24          1HH2      ARG  24   2.126  -9.461  -2.183
  193   2HH2  ARG  24          2HH2      ARG  24   2.930 -10.813  -2.929
  194    H    LEU  25           H        LEU  25   1.429  -9.449   1.209
  195    HA   LEU  25           HA       LEU  25   1.714 -12.300   0.848
  196   1HB   LEU  25          1HB       LEU  25   3.247 -10.406   0.033
  197   2HB   LEU  25          2HB       LEU  25   3.900 -10.323   1.655
  198    HG   LEU  25           HG       LEU  25   3.855 -12.932   0.085
  199   1HD1  LEU  25          1HD1      LEU  25   6.048 -10.815   0.084
  200   2HD1  LEU  25          2HD1      LEU  25   6.144 -12.421  -0.662
  201   3HD1  LEU  25          3HD1      LEU  25   5.000 -11.232  -1.291
  202   1HD2  LEU  25          1HD2      LEU  25   5.624 -11.931   2.376
  203   2HD2  LEU  25          2HD2      LEU  25   4.419 -13.234   2.467
  204   3HD2  LEU  25          3HD2      LEU  25   5.861 -13.453   1.497
  205    H    LEU  26           H        LEU  26   2.300 -10.012   3.526
  206    HA   LEU  26           HA       LEU  26   3.146 -11.970   5.412
  207   1HB   LEU  26          1HB       LEU  26   3.534  -9.550   5.687
  208   2HB   LEU  26          2HB       LEU  26   1.799  -9.280   5.881
  209    HG   LEU  26           HG       LEU  26   1.803 -10.600   7.981
  210   1HD1  LEU  26          1HD1      LEU  26   4.819 -10.804   7.512
  211   2HD1  LEU  26          2HD1      LEU  26   3.998 -11.184   9.041
  212   3HD1  LEU  26          3HD1      LEU  26   3.661 -12.153   7.612
  213   1HD2  LEU  26          1HD2      LEU  26   2.138  -8.162   8.026
  214   2HD2  LEU  26          2HD2      LEU  26   3.024  -8.960   9.335
  215   3HD2  LEU  26          3HD2      LEU  26   3.899  -8.393   7.899
  216    H    ILE  27           H        ILE  27  -0.148 -10.689   4.779
  217    HA   ILE  27           HA       ILE  27  -1.458 -12.155   6.846
  218    HB   ILE  27           HB       ILE  27  -2.407 -10.975   4.210
  219   1HG1  ILE  27          1HG1      ILE  27  -3.054 -10.137   7.075
  220   2HG1  ILE  27          2HG1      ILE  27  -1.651  -9.519   6.228
  221   1HG2  ILE  27          1HG2      ILE  27  -3.944 -12.841   4.716
  222   2HG2  ILE  27          2HG2      ILE  27  -4.146 -12.253   6.374
  223   3HG2  ILE  27          3HG2      ILE  27  -4.754 -11.311   4.995
  224   1HD1  ILE  27          1HD1      ILE  27  -3.447  -7.913   6.042
  225   2HD1  ILE  27          2HD1      ILE  27  -3.118  -8.595   4.436
  226   3HD1  ILE  27          3HD1      ILE  27  -4.543  -9.120   5.364
  227    H    LEU  28           H        LEU  28  -0.767 -13.014   3.391
  228    HA   LEU  28           HA       LEU  28  -1.981 -15.607   3.561
  229   1HB   LEU  28          1HB       LEU  28  -1.372 -14.257   1.514
  230   2HB   LEU  28          2HB       LEU  28   0.293 -14.784   1.750
  231    HG   LEU  28           HG       LEU  28  -0.982 -16.061   0.126
  232   1HD1  LEU  28          1HD1      LEU  28  -0.185 -18.190   0.603
  233   2HD1  LEU  28          2HD1      LEU  28   0.878 -17.111   1.550
  234   3HD1  LEU  28          3HD1      LEU  28  -0.428 -18.027   2.334
  235   1HD2  LEU  28          1HD2      LEU  28  -2.634 -17.269   2.396
  236   2HD2  LEU  28          2HD2      LEU  28  -3.244 -15.994   1.330
  237   3HD2  LEU  28          3HD2      LEU  28  -2.802 -17.592   0.680
  238    H    LEU  29           H        LEU  29   1.402 -14.625   4.013
  239    HA   LEU  29           HA       LEU  29   2.463 -17.130   4.697
  240   1HB   LEU  29          1HB       LEU  29   3.848 -15.125   4.443
  241   2HB   LEU  29          2HB       LEU  29   3.123 -14.408   5.882
  242    HG   LEU  29           HG       LEU  29   4.105 -16.185   7.303
  243   1HD1  LEU  29          1HD1      LEU  29   4.271 -18.056   5.720
  244   2HD1  LEU  29          2HD1      LEU  29   5.420 -17.142   4.711
  245   3HD1  LEU  29          3HD1      LEU  29   5.869 -17.672   6.348
  246   1HD2  LEU  29          1HD2      LEU  29   5.304 -14.070   6.922
  247   2HD2  LEU  29          2HD2      LEU  29   6.431 -15.416   7.126
  248   3HD2  LEU  29          3HD2      LEU  29   6.114 -14.769   5.500
  249    H    LEU  30           H        LEU  30   0.840 -14.802   6.908
  250    HA   LEU  30           HA       LEU  30   0.898 -16.451   9.226
  251   1HB   LEU  30          1HB       LEU  30   0.413 -14.015   9.172
  252   2HB   LEU  30          2HB       LEU  30  -1.120 -14.354   8.392
  253    HG   LEU  30           HG       LEU  30  -1.910 -15.600  10.385
  254   1HD1  LEU  30          1HD1      LEU  30   0.746 -14.720  11.622
  255   2HD1  LEU  30          2HD1      LEU  30  -0.638 -15.383  12.527
  256   3HD1  LEU  30          3HD1      LEU  30   0.196 -16.392  11.352
  257   1HD2  LEU  30          1HD2      LEU  30  -0.881 -12.793  10.972
  258   2HD2  LEU  30          2HD2      LEU  30  -2.390 -13.206  10.119
  259   3HD2  LEU  30          3HD2      LEU  30  -2.198 -13.633  11.825
  260    H    LEU  31           H        LEU  31  -1.476 -16.168   6.623
  261    HA   LEU  31           HA       LEU  31  -3.398 -18.044   7.594
  262   1HB   LEU  31          1HB       LEU  31  -3.714 -16.315   5.818
  263   2HB   LEU  31          2HB       LEU  31  -2.872 -17.376   4.700
  264    HG   LEU  31           HG       LEU  31  -5.059 -18.745   6.172
  265   1HD1  LEU  31          1HD1      LEU  31  -6.898 -17.645   4.976
  266   2HD1  LEU  31          2HD1      LEU  31  -6.076 -16.523   6.069
  267   3HD1  LEU  31          3HD1      LEU  31  -5.767 -16.438   4.318
  268   1HD2  LEU  31          1HD2      LEU  31  -5.670 -19.547   3.957
  269   2HD2  LEU  31          2HD2      LEU  31  -4.614 -18.353   3.172
  270   3HD2  LEU  31          3HD2      LEU  31  -3.919 -19.678   4.129
  271   1HN   NH2  32          1HN       NH2  32  -0.186 -18.648   6.390
  272   2HN   NH2  32          2HN       NH2  32  -0.406 -20.377   6.199
  Start of MODEL    3
    1   1H    SER   1          1H        SER   1  -5.195 -16.314 -13.323
    2   2H    SER   1          2H        SER   1  -3.603 -16.643 -13.708
    3   3H    SER   1          3H        SER   1  -3.990 -16.079 -12.217
    4    HA   SER   1           HA       SER   1  -4.369 -14.524 -14.657
    5   1HB   SER   1          1HB       SER   1  -4.634 -12.680 -12.904
    6   2HB   SER   1          2HB       SER   1  -5.906 -13.909 -12.875
    7    HG   SER   1           HG       SER   1  -3.859 -13.386 -11.054
    8    HA   PRO   2           HA       PRO   2  -0.030 -13.190 -13.554
    9   1HB   PRO   2          1HB       PRO   2  -0.257 -10.437 -13.538
   10   2HB   PRO   2          2HB       PRO   2  -0.061 -11.400 -15.036
   11   1HG   PRO   2          1HG       PRO   2  -2.633 -10.356 -13.803
   12   2HG   PRO   2          2HG       PRO   2  -2.084 -10.215 -15.507
   13   1HD   PRO   2          1HD       PRO   2  -3.813 -12.153 -14.764
   14   2HD   PRO   2          2HD       PRO   2  -2.514 -12.500 -15.931
   15    HA   PRO   3           HA       PRO   3  -0.801 -12.380  -9.183
   16   1HB   PRO   3          1HB       PRO   3   1.506 -11.216  -8.304
   17   2HB   PRO   3          2HB       PRO   3   1.476 -12.897  -8.915
   18   1HG   PRO   3          1HG       PRO   3   2.204 -10.377 -10.456
   19   2HG   PRO   3          2HG       PRO   3   3.155 -11.895 -10.314
   20   1HD   PRO   3          1HD       PRO   3   1.510 -11.428 -12.430
   21   2HD   PRO   3          2HD       PRO   3   1.677 -13.067 -11.733
   22    H    ASP   4           H        ASP   4  -0.262 -10.241  -7.531
   23    HA   ASP   4           HA       ASP   4  -2.017  -8.188  -8.474
   24   1HB   ASP   4          1HB       ASP   4  -1.584  -7.150  -6.320
   25   2HB   ASP   4          2HB       ASP   4  -2.119  -8.812  -6.142
   26    H    TYR   5           H        TYR   5  -1.421  -6.567  -9.409
   27    HA   TYR   5           HA       TYR   5   0.678  -6.204 -11.004
   28   1HB   TYR   5          1HB       TYR   5   0.029  -3.795 -11.224
   29   2HB   TYR   5          2HB       TYR   5  -1.232  -4.986 -11.445
   30    HD1  TYR   5           HD1      TYR   5  -0.080  -2.183  -9.359
   31    HD2  TYR   5           HD2      TYR   5  -3.097  -5.227  -9.829
   32    HE1  TYR   5           HE1      TYR   5  -1.529  -1.003  -7.723
   33    HE2  TYR   5           HE2      TYR   5  -4.539  -4.057  -8.208
   34    HH   TYR   5           HH       TYR   5  -4.764  -2.193  -6.804
   35    H    SER   6           H        SER   6   2.726  -6.562 -10.264
   36    HA   SER   6           HA       SER   6   4.161  -5.411  -8.318
   37   1HB   SER   6          1HB       SER   6   5.292  -5.808 -11.108
   38   2HB   SER   6          2HB       SER   6   6.065  -6.122  -9.543
   39    HG   SER   6           HG       SER   6   5.377  -8.076 -10.425
   40    H    ALA   7           H        ALA   7   2.863  -3.618 -10.932
   41    HA   ALA   7           HA       ALA   7   4.797  -1.432 -11.001
   42   1HB   ALA   7          1HB       ALA   7   1.974  -1.678 -12.133
   43   2HB   ALA   7          2HB       ALA   7   3.152  -0.412 -12.519
   44   3HB   ALA   7          3HB       ALA   7   3.478  -2.087 -12.998
   45    H    ALA   8           H        ALA   8   2.444  -2.313  -8.686
   46    HA   ALA   8           HA       ALA   8   0.897  -0.214  -8.157
   47   1HB   ALA   8          1HB       ALA   8   0.911  -2.301  -6.865
   48   2HB   ALA   8          2HB       ALA   8   2.421  -1.818  -6.061
   49   3HB   ALA   8          3HB       ALA   8   0.928  -0.894  -5.789
   50    HA   PRO   9           HA       PRO   9   3.616   3.234  -7.553
   51   1HB   PRO   9          1HB       PRO   9   1.935   5.078  -6.375
   52   2HB   PRO   9          2HB       PRO   9   1.854   4.622  -8.103
   53   1HG   PRO   9          1HG       PRO   9   0.180   3.538  -5.816
   54   2HG   PRO   9          2HG       PRO   9  -0.375   4.117  -7.420
   55   1HD   PRO   9          1HD       PRO   9  -0.001   1.476  -6.910
   56   2HD   PRO   9          2HD       PRO   9   0.434   2.171  -8.503
   57    H    ARG  10           H        ARG  10   5.122   3.791  -5.937
   58    HA   ARG  10           HA       ARG  10   4.495   3.457  -3.135
   59   1HB   ARG  10          1HB       ARG  10   6.201   1.693  -2.766
   60   2HB   ARG  10          2HB       ARG  10   4.792   1.149  -3.665
   61   1HG   ARG  10          1HG       ARG  10   6.137   1.335  -5.805
   62   2HG   ARG  10          2HG       ARG  10   7.566   1.682  -4.808
   63   1HD   ARG  10          1HD       ARG  10   7.304  -0.456  -3.637
   64   2HD   ARG  10          2HD       ARG  10   5.796  -0.787  -4.488
   65    HE   ARG  10           HE       ARG  10   8.525  -1.090  -5.471
   66   1HH1  ARG  10          1HH1      ARG  10   5.129  -0.710  -6.637
   67   2HH1  ARG  10          2HH1      ARG  10   5.331  -1.943  -7.831
   68   1HH2  ARG  10          1HH2      ARG  10   8.712  -2.581  -7.318
   69   2HH2  ARG  10          2HH2      ARG  10   7.287  -2.857  -8.279
   70    H    GLY  11           H        GLY  11   5.836   4.643  -1.992
   71   1HA   GLY  11          1HA       GLY  11   7.206   6.383  -1.465
   72   2HA   GLY  11          2HA       GLY  11   8.432   5.269  -2.053
   73    H    ARG  12           H        ARG  12   6.562   8.038  -2.738
   74    HA   ARG  12           HA       ARG  12   8.585   9.206  -4.451
   75   1HB   ARG  12          1HB       ARG  12   5.914   8.361  -5.672
   76   2HB   ARG  12          2HB       ARG  12   6.789   9.786  -6.239
   77   1HG   ARG  12          1HG       ARG  12   8.827   8.205  -6.523
   78   2HG   ARG  12          2HG       ARG  12   7.641   6.885  -6.418
   79   1HD   ARG  12          1HD       ARG  12   6.442   7.735  -8.351
   80   2HD   ARG  12          2HD       ARG  12   7.425   9.216  -8.361
   81    HE   ARG  12           HE       ARG  12   8.999   6.806  -8.557
   82   1HH1  ARG  12          1HH1      ARG  12   7.146   9.137 -10.484
   83   2HH1  ARG  12          2HH1      ARG  12   8.052   8.922 -11.932
   84   1HH2  ARG  12          1HH2      ARG  12  10.250   6.505 -10.497
   85   2HH2  ARG  12          2HH2      ARG  12   9.861   7.363 -11.934
   86    H    PHE  13           H        PHE  13   8.666  10.766  -2.881
   87    HA   PHE  13           HA       PHE  13   8.033  12.219  -1.253
   88   1HB   PHE  13          1HB       PHE  13   6.879  13.231  -3.837
   89   2HB   PHE  13          2HB       PHE  13   7.177  14.259  -2.427
   90    HD1  PHE  13           HD1      PHE  13   8.584  12.987  -5.462
   91    HD2  PHE  13           HD2      PHE  13   9.629  14.246  -1.467
   92    HE1  PHE  13           HE1      PHE  13  10.947  13.293  -6.167
   93    HE2  PHE  13           HE2      PHE  13  11.983  14.541  -2.181
   94    HZ   PHE  13           HZ       PHE  13  12.646  14.066  -4.527
   95    H    GLY  14           H        GLY  14   6.168  10.021  -1.093
   96   1HA   GLY  14          1HA       GLY  14   4.134  11.016   0.521
   97   2HA   GLY  14          2HA       GLY  14   3.494  10.888  -1.133
   98    H    ILE  15           H        ILE  15   2.328   9.334   0.643
   99    HA   ILE  15           HA       ILE  15   3.339   6.528   0.369
  100    HB   ILE  15           HB       ILE  15   2.089   7.969   2.725
  101   1HG1  ILE  15          1HG1      ILE  15   4.839   6.708   2.343
  102   2HG1  ILE  15          2HG1      ILE  15   4.476   8.418   2.520
  103   1HG2  ILE  15          1HG2      ILE  15   1.106   5.718   2.513
  104   2HG2  ILE  15          2HG2      ILE  15   2.715   4.998   2.466
  105   3HG2  ILE  15          3HG2      ILE  15   2.133   5.826   3.924
  106   1HD1  ILE  15          1HD1      ILE  15   5.359   7.663   4.591
  107   2HD1  ILE  15          2HD1      ILE  15   3.629   7.975   4.839
  108   3HD1  ILE  15          3HD1      ILE  15   4.232   6.304   4.679
  109    HA   PRO  16           HA       PRO  16  -0.870   6.753  -1.409
  110   1HB   PRO  16          1HB       PRO  16  -0.476   5.031  -3.508
  111   2HB   PRO  16          2HB       PRO  16   0.042   6.741  -3.575
  112   1HG   PRO  16          1HG       PRO  16   1.715   4.321  -2.850
  113   2HG   PRO  16          2HG       PRO  16   2.104   5.601  -4.045
  114   1HD   PRO  16          1HD       PRO  16   3.085   5.652  -1.516
  115   2HD   PRO  16          2HD       PRO  16   2.596   7.161  -2.318
  116    H    PHE  17           H        PHE  17  -2.002   4.327  -2.101
  117    HA   PHE  17           HA       PHE  17  -2.222   2.865   0.303
  118   1HB   PHE  17          1HB       PHE  17  -3.684   1.411  -1.028
  119   2HB   PHE  17          2HB       PHE  17  -4.006   3.096  -1.364
  120    HD1  PHE  17           HD1      PHE  17  -3.644   4.043  -3.598
  121    HD2  PHE  17           HD2      PHE  17  -2.548  -0.051  -2.741
  122    HE1  PHE  17           HE1      PHE  17  -3.348   3.601  -6.015
  123    HE2  PHE  17           HE2      PHE  17  -2.253  -0.474  -5.150
  124    HZ   PHE  17           HZ       PHE  17  -2.656   1.341  -6.799
  125    H    PHE  18           H        PHE  18   0.591   2.822  -0.967
  126    HA   PHE  18           HA       PHE  18   1.176   0.379  -2.162
  127   1HB   PHE  18          1HB       PHE  18   3.420   0.816  -1.921
  128   2HB   PHE  18          2HB       PHE  18   2.684   2.401  -1.949
  129    HD1  PHE  18           HD1      PHE  18   3.063   3.990  -0.175
  130    HD2  PHE  18           HD2      PHE  18   4.347  -0.106   0.175
  131    HE1  PHE  18           HE1      PHE  18   4.705   4.627   1.592
  132    HE2  PHE  18           HE2      PHE  18   5.866   0.520   2.029
  133    HZ   PHE  18           HZ       PHE  18   6.060   2.899   2.722
  134    HA   PRO  19           HA       PRO  19   2.188  -1.586   2.098
  135   1HB   PRO  19          1HB       PRO  19   0.528  -1.028   4.253
  136   2HB   PRO  19          2HB       PRO  19   2.133  -0.297   3.948
  137   1HG   PRO  19          1HG       PRO  19  -0.592   0.806   3.208
  138   2HG   PRO  19          2HG       PRO  19   0.769   1.656   4.014
  139   1HD   PRO  19          1HD       PRO  19   0.375   1.957   1.416
  140   2HD   PRO  19          2HD       PRO  19   2.033   1.708   2.012
  141    H    VAL  20           H        VAL  20  -0.914  -1.132   0.591
  142    HA   VAL  20           HA       VAL  20  -2.418  -3.312   1.615
  143    HB   VAL  20           HB       VAL  20  -2.100  -1.928  -1.090
  144   1HG1  VAL  20          1HG1      VAL  20  -3.921  -4.287  -0.570
  145   2HG1  VAL  20          2HG1      VAL  20  -4.108  -3.117  -1.919
  146   3HG1  VAL  20          3HG1      VAL  20  -2.673  -4.107  -1.824
  147   1HG2  VAL  20          1HG2      VAL  20  -4.355  -1.088  -0.606
  148   2HG2  VAL  20          2HG2      VAL  20  -4.455  -2.095   0.853
  149   3HG2  VAL  20          3HG2      VAL  20  -3.302  -0.747   0.770
  150    H    HIS  21           H        HIS  21  -0.173  -3.273  -1.117
  151    HA   HIS  21           HA       HIS  21  -0.300  -5.991  -1.791
  152   1HB   HIS  21          1HB       HIS  21   1.665  -3.735  -2.071
  153   2HB   HIS  21          2HB       HIS  21   1.988  -5.307  -2.833
  154    HD1  HIS  21           HD1      HIS  21   0.031  -5.955  -4.768
  155    HD2  HIS  21           HD2      HIS  21   0.059  -2.065  -3.139
  156    HE1  HIS  21           HE1      HIS  21  -1.444  -4.492  -6.303
  157    H    LEU  22           H        LEU  22   1.861  -4.267   0.440
  158    HA   LEU  22           HA       LEU  22   3.442  -6.642   1.001
  159   1HB   LEU  22          1HB       LEU  22   3.303  -3.939   2.354
  160   2HB   LEU  22          2HB       LEU  22   4.451  -5.206   2.724
  161    HG   LEU  22           HG       LEU  22   5.813  -4.084   1.305
  162   1HD1  LEU  22          1HD1      LEU  22   4.173  -5.349  -0.955
  163   2HD1  LEU  22          2HD1      LEU  22   5.853  -4.832  -1.016
  164   3HD1  LEU  22          3HD1      LEU  22   5.396  -6.204   0.002
  165   1HD2  LEU  22          1HD2      LEU  22   3.441  -3.066  -0.297
  166   2HD2  LEU  22          2HD2      LEU  22   4.213  -2.221   1.066
  167   3HD2  LEU  22          3HD2      LEU  22   5.124  -2.526  -0.421
  168    H    LYS  23           H        LYS  23   0.745  -4.966   2.734
  169    HA   LYS  23           HA       LYS  23   0.895  -6.817   4.951
  170   1HB   LYS  23          1HB       LYS  23  -0.343  -4.596   4.932
  171   2HB   LYS  23          2HB       LYS  23  -1.601  -5.367   3.947
  172   1HG   LYS  23          1HG       LYS  23  -2.026  -7.002   5.775
  173   2HG   LYS  23          2HG       LYS  23  -0.649  -6.363   6.675
  174   1HD   LYS  23          1HD       LYS  23  -2.515  -5.405   7.738
  175   2HD   LYS  23          2HD       LYS  23  -1.835  -4.120   6.752
  176   1HE   LYS  23          1HE       LYS  23  -4.177  -3.967   6.456
  177   2HE   LYS  23          2HE       LYS  23  -3.566  -4.693   4.964
  178   1HZ   LYS  23          1HZ       LYS  23  -4.817  -6.149   7.223
  179   2HZ   LYS  23          2HZ       LYS  23  -5.530  -5.834   5.780
  180   3HZ   LYS  23          3HZ       LYS  23  -4.244  -6.858   5.855
  181    H    ARG  24           H        ARG  24  -0.488  -6.882   1.719
  182    HA   ARG  24           HA       ARG  24  -1.901  -9.376   2.035
  183   1HB   ARG  24          1HB       ARG  24  -2.399  -7.742   0.221
  184   2HB   ARG  24          2HB       ARG  24  -0.814  -8.016  -0.450
  185   1HG   ARG  24          1HG       ARG  24  -1.889 -10.611  -0.395
  186   2HG   ARG  24          2HG       ARG  24  -3.287  -9.611  -0.683
  187   1HD   ARG  24          1HD       ARG  24  -2.263 -10.363  -2.788
  188   2HD   ARG  24          2HD       ARG  24  -2.249  -8.609  -2.649
  189    HE   ARG  24           HE       ARG  24  -0.057  -8.718  -3.118
  190   1HH1  ARG  24          1HH1      ARG  24  -0.337 -11.470  -0.861
  191   2HH1  ARG  24          2HH1      ARG  24   1.007 -12.293  -1.556
  192   1HH2  ARG  24          1HH2      ARG  24   1.385  -9.958  -4.174
  193   2HH2  ARG  24          2HH2      ARG  24   2.213 -11.259  -3.390
  194    H    LEU  25           H        LEU  25   1.465  -8.572   1.123
  195    HA   LEU  25           HA       LEU  25   2.285 -11.232   0.538
  196   1HB   LEU  25          1HB       LEU  25   3.511  -9.044   0.136
  197   2HB   LEU  25          2HB       LEU  25   4.003  -9.063   1.823
  198    HG   LEU  25           HG       LEU  25   4.615 -11.342  -0.103
  199   1HD1  LEU  25          1HD1      LEU  25   6.843 -10.317  -0.373
  200   2HD1  LEU  25          2HD1      LEU  25   5.577  -9.231  -0.957
  201   3HD1  LEU  25          3HD1      LEU  25   6.344  -8.933   0.620
  202   1HD2  LEU  25          1HD2      LEU  25   4.940 -12.041   2.222
  203   2HD2  LEU  25          2HD2      LEU  25   6.515 -11.756   1.512
  204   3HD2  LEU  25          3HD2      LEU  25   5.815 -10.540   2.598
  205    H    LEU  26           H        LEU  26   2.354  -9.345   3.577
  206    HA   LEU  26           HA       LEU  26   3.232 -11.397   5.300
  207   1HB   LEU  26          1HB       LEU  26   3.163  -9.050   5.895
  208   2HB   LEU  26          2HB       LEU  26   1.405  -9.029   5.898
  209    HG   LEU  26           HG       LEU  26   2.801 -11.026   7.690
  210   1HD1  LEU  26          1HD1      LEU  26   4.071  -8.962   8.068
  211   2HD1  LEU  26          2HD1      LEU  26   2.564  -8.051   8.324
  212   3HD1  LEU  26          3HD1      LEU  26   3.055  -9.327   9.462
  213   1HD2  LEU  26          1HD2      LEU  26   0.311  -9.274   8.050
  214   2HD2  LEU  26          2HD2      LEU  26   0.320 -11.016   7.695
  215   3HD2  LEU  26          3HD2      LEU  26   0.932 -10.443   9.234
  216    H    ILE  27           H        ILE  27  -0.173 -10.536   4.481
  217    HA   ILE  27           HA       ILE  27  -1.370 -12.567   6.054
  218    HB   ILE  27           HB       ILE  27  -2.264 -11.054   3.584
  219   1HG1  ILE  27          1HG1      ILE  27  -3.331 -11.025   6.448
  220   2HG1  ILE  27          2HG1      ILE  27  -2.008  -9.995   5.943
  221   1HG2  ILE  27          1HG2      ILE  27  -3.932 -13.072   5.154
  222   2HG2  ILE  27          2HG2      ILE  27  -4.573 -11.946   3.936
  223   3HG2  ILE  27          3HG2      ILE  27  -3.453 -13.208   3.455
  224   1HD1  ILE  27          1HD1      ILE  27  -3.459  -8.932   4.223
  225   2HD1  ILE  27          2HD1      ILE  27  -4.831  -9.905   4.808
  226   3HD1  ILE  27          3HD1      ILE  27  -4.060  -8.735   5.884
  227    H    LEU  28           H        LEU  28  -0.173 -12.715   2.639
  228    HA   LEU  28           HA       LEU  28  -0.851 -15.489   2.278
  229   1HB   LEU  28          1HB       LEU  28  -0.268 -13.780   0.542
  230   2HB   LEU  28          2HB       LEU  28   1.424 -13.989   0.992
  231    HG   LEU  28           HG       LEU  28   0.700 -15.247  -0.951
  232   1HD1  LEU  28          1HD1      LEU  28   2.537 -16.065   0.650
  233   2HD1  LEU  28          2HD1      LEU  28   1.389 -17.342   1.094
  234   3HD1  LEU  28          3HD1      LEU  28   1.902 -17.200  -0.580
  235   1HD2  LEU  28          1HD2      LEU  28  -0.918 -17.095   0.868
  236   2HD2  LEU  28          2HD2      LEU  28  -1.653 -15.856  -0.151
  237   3HD2  LEU  28          3HD2      LEU  28  -0.751 -17.211  -0.876
  238    H    LEU  29           H        LEU  29   2.203 -14.027   3.418
  239    HA   LEU  29           HA       LEU  29   3.547 -16.452   3.943
  240   1HB   LEU  29          1HB       LEU  29   4.622 -14.288   4.034
  241   2HB   LEU  29          2HB       LEU  29   3.695 -13.799   5.444
  242    HG   LEU  29           HG       LEU  29   5.388 -16.296   5.659
  243   1HD1  LEU  29          1HD1      LEU  29   7.362 -14.938   6.248
  244   2HD1  LEU  29          2HD1      LEU  29   6.886 -14.691   4.566
  245   3HD1  LEU  29          3HD1      LEU  29   6.493 -13.457   5.787
  246   1HD2  LEU  29          1HD2      LEU  29   5.744 -15.447   7.973
  247   2HD2  LEU  29          2HD2      LEU  29   4.781 -14.000   7.601
  248   3HD2  LEU  29          3HD2      LEU  29   4.028 -15.605   7.635
  249    H    LEU  30           H        LEU  30   1.170 -14.794   6.021
  250    HA   LEU  30           HA       LEU  30   1.302 -16.694   8.172
  251   1HB   LEU  30          1HB       LEU  30   0.405 -14.388   8.348
  252   2HB   LEU  30          2HB       LEU  30  -0.921 -14.834   7.293
  253    HG   LEU  30           HG       LEU  30  -1.752 -16.474   8.964
  254   1HD1  LEU  30          1HD1      LEU  30   0.316 -17.041  10.160
  255   2HD1  LEU  30          2HD1      LEU  30   0.493 -15.361  10.718
  256   3HD1  LEU  30          3HD1      LEU  30  -0.854 -16.371  11.293
  257   1HD2  LEU  30          1HD2      LEU  30  -2.592 -14.807  10.557
  258   2HD2  LEU  30          2HD2      LEU  30  -1.340 -13.654  10.041
  259   3HD2  LEU  30          3HD2      LEU  30  -2.611 -14.171   8.905
  260    H    LEU  31           H        LEU  31  -0.842 -16.389   5.328
  261    HA   LEU  31           HA       LEU  31  -1.745 -19.160   5.659
  262   1HB   LEU  31          1HB       LEU  31  -3.400 -17.601   6.689
  263   2HB   LEU  31          2HB       LEU  31  -3.506 -16.737   5.152
  264    HG   LEU  31           HG       LEU  31  -4.361 -18.840   4.071
  265   1HD1  LEU  31          1HD1      LEU  31  -4.399 -19.901   6.934
  266   2HD1  LEU  31          2HD1      LEU  31  -5.223 -20.658   5.554
  267   3HD1  LEU  31          3HD1      LEU  31  -3.463 -20.563   5.578
  268   1HD2  LEU  31          1HD2      LEU  31  -6.610 -18.710   5.064
  269   2HD2  LEU  31          2HD2      LEU  31  -5.948 -17.872   6.485
  270   3HD2  LEU  31          3HD2      LEU  31  -5.900 -17.099   4.883
  271   1HN   NH2  32          1HN       NH2  32  -0.081 -19.486   4.088
  272   2HN   NH2  32          2HN       NH2  32  -0.456 -19.201   2.402
  Start of MODEL    4
    1   1H    SER   1          1H        SER   1 -20.184  16.535   1.603
    2   2H    SER   1          2H        SER   1 -20.661  17.662   2.709
    3   3H    SER   1          3H        SER   1 -21.292  17.662   1.158
    4    HA   SER   1           HA       SER   1 -19.578  19.384   1.489
    5   1HB   SER   1          1HB       SER   1 -17.206  18.371   1.561
    6   2HB   SER   1          2HB       SER   1 -18.162  18.201   3.039
    7    HG   SER   1           HG       SER   1 -17.315  16.290   1.223
    8    HA   PRO   2           HA       PRO   2 -18.465  18.156  -2.892
    9   1HB   PRO   2          1HB       PRO   2 -15.930  19.201  -3.145
   10   2HB   PRO   2          2HB       PRO   2 -17.405  20.204  -3.288
   11   1HG   PRO   2          1HG       PRO   2 -15.643  19.791  -0.848
   12   2HG   PRO   2          2HG       PRO   2 -16.206  21.343  -1.552
   13   1HD   PRO   2          1HD       PRO   2 -17.493  20.204   0.541
   14   2HD   PRO   2          2HD       PRO   2 -18.407  21.009  -0.761
   15    HA   PRO   3           HA       PRO   3 -15.963  14.587  -1.794
   16   1HB   PRO   3          1HB       PRO   3 -14.347  14.092  -3.964
   17   2HB   PRO   3          2HB       PRO   3 -16.113  13.800  -3.967
   18   1HG   PRO   3          1HG       PRO   3 -14.626  16.236  -4.999
   19   2HG   PRO   3          2HG       PRO   3 -15.892  15.276  -5.834
   20   1HD   PRO   3          1HD       PRO   3 -16.501  17.572  -4.537
   21   2HD   PRO   3          2HD       PRO   3 -17.602  16.166  -4.453
   22    H    ASP   4           H        ASP   4 -13.594  13.825  -1.549
   23    HA   ASP   4           HA       ASP   4 -11.978  16.022  -0.501
   24   1HB   ASP   4          1HB       ASP   4 -11.114  14.327   0.974
   25   2HB   ASP   4          2HB       ASP   4 -12.873  14.183   0.993
   26    H    TYR   5           H        TYR   5  -9.561  14.620  -0.390
   27    HA   TYR   5           HA       TYR   5  -8.765  14.306  -3.210
   28   1HB   TYR   5          1HB       TYR   5  -6.816  15.696  -2.566
   29   2HB   TYR   5          2HB       TYR   5  -8.340  16.546  -2.567
   30    HD1  TYR   5           HD1      TYR   5  -9.201  17.578  -0.562
   31    HD2  TYR   5           HD2      TYR   5  -5.693  15.070  -0.378
   32    HE1  TYR   5           HE1      TYR   5  -8.762  18.373   1.734
   33    HE2  TYR   5           HE2      TYR   5  -5.252  15.860   1.931
   34    HH   TYR   5           HH       TYR   5  -7.367  18.200   3.603
   35    H    SER   6           H        SER   6  -9.169  12.218  -0.917
   36    HA   SER   6           HA       SER   6  -6.723  11.350   0.067
   37   1HB   SER   6          1HB       SER   6  -9.210   9.735  -0.578
   38   2HB   SER   6          2HB       SER   6  -7.869   9.191   0.451
   39    HG   SER   6           HG       SER   6  -9.729  11.261   0.838
   40    H    ALA   7           H        ALA   7  -6.943  11.578  -3.133
   41    HA   ALA   7           HA       ALA   7  -5.855   8.967  -3.983
   42   1HB   ALA   7          1HB       ALA   7  -7.250  10.259  -5.561
   43   2HB   ALA   7          2HB       ALA   7  -6.126  11.634  -5.452
   44   3HB   ALA   7          3HB       ALA   7  -5.591  10.098  -6.171
   45    H    ALA   8           H        ALA   8  -4.383   9.176  -2.160
   46    HA   ALA   8           HA       ALA   8  -2.567  10.921  -1.440
   47   1HB   ALA   8          1HB       ALA   8  -2.058   7.928  -1.662
   48   2HB   ALA   8          2HB       ALA   8  -1.198   9.036  -0.580
   49   3HB   ALA   8          3HB       ALA   8  -2.932   8.759  -0.354
   50    HA   PRO   9           HA       PRO   9   0.313  11.876  -4.515
   51   1HB   PRO   9          1HB       PRO   9   2.653  12.432  -3.115
   52   2HB   PRO   9          2HB       PRO   9   1.227  13.505  -3.218
   53   1HG   PRO   9          1HG       PRO   9   1.923  11.546  -1.013
   54   2HG   PRO   9          2HG       PRO   9   1.363  13.241  -0.860
   55   1HD   PRO   9          1HD       PRO   9  -0.339  11.157  -0.582
   56   2HD   PRO   9          2HD       PRO   9  -0.858  12.644  -1.433
   57    H    ARG  10           H        ARG  10   2.004  11.114  -5.797
   58    HA   ARG  10           HA       ARG  10   3.717   9.002  -5.133
   59   1HB   ARG  10          1HB       ARG  10   2.764   7.444  -6.948
   60   2HB   ARG  10          2HB       ARG  10   2.151   7.373  -5.322
   61   1HG   ARG  10          1HG       ARG  10   0.564   7.140  -7.337
   62   2HG   ARG  10          2HG       ARG  10   0.052   7.957  -5.888
   63   1HD   ARG  10          1HD       ARG  10   1.093   9.767  -8.025
   64   2HD   ARG  10          2HD       ARG  10  -0.349   8.841  -8.428
   65    HE   ARG  10           HE       ARG  10  -0.944   9.789  -5.928
   66   1HH1  ARG  10          1HH1      ARG  10   0.036  11.436  -8.902
   67   2HH1  ARG  10          2HH1      ARG  10  -1.048  12.769  -8.696
   68   1HH2  ARG  10          1HH2      ARG  10  -2.430  11.526  -5.650
   69   2HH2  ARG  10          2HH2      ARG  10  -2.444  12.839  -6.740
   70    H    GLY  11           H        GLY  11   5.109   8.520  -7.027
   71   1HA   GLY  11          1HA       GLY  11   6.387   9.180  -8.772
   72   2HA   GLY  11          2HA       GLY  11   5.056  10.172  -9.391
   73    H    ARG  12           H        ARG  12   5.581  11.144  -6.260
   74    HA   ARG  12           HA       ARG  12   7.951  12.680  -6.344
   75   1HB   ARG  12          1HB       ARG  12   5.281  14.187  -6.526
   76   2HB   ARG  12          2HB       ARG  12   6.769  14.862  -5.855
   77   1HG   ARG  12          1HG       ARG  12   7.866  14.248  -8.122
   78   2HG   ARG  12          2HG       ARG  12   6.201  14.085  -8.724
   79   1HD   ARG  12          1HD       ARG  12   5.736  16.424  -8.109
   80   2HD   ARG  12          2HD       ARG  12   7.360  16.573  -7.399
   81    HE   ARG  12           HE       ARG  12   7.466  15.685 -10.126
   82   1HH1  ARG  12          1HH1      ARG  12   7.087  18.630  -8.178
   83   2HH1  ARG  12          2HH1      ARG  12   7.727  19.695  -9.371
   84   1HH2  ARG  12          1HH2      ARG  12   8.321  17.102 -11.747
   85   2HH2  ARG  12          2HH2      ARG  12   8.438  18.792 -11.465
   86    H    PHE  13           H        PHE  13   8.437  11.939  -4.451
   87    HA   PHE  13           HA       PHE  13   8.208  10.918  -2.344
   88   1HB   PHE  13          1HB       PHE  13   7.832  13.904  -2.033
   89   2HB   PHE  13          2HB       PHE  13   8.459  12.814  -0.797
   90    HD1  PHE  13           HD1      PHE  13   9.317  14.921  -3.588
   91    HD2  PHE  13           HD2      PHE  13  10.611  11.454  -1.361
   92    HE1  PHE  13           HE1      PHE  13  11.605  15.160  -4.526
   93    HE2  PHE  13           HE2      PHE  13  12.888  11.705  -2.308
   94    HZ   PHE  13           HZ       PHE  13  13.387  13.550  -3.893
   95    H    GLY  14           H        GLY  14   6.170   9.627  -2.469
   96   1HA   GLY  14          1HA       GLY  14   4.249  10.598  -0.539
   97   2HA   GLY  14          2HA       GLY  14   3.619  10.441  -2.186
   98    H    ILE  15           H        ILE  15   2.488   8.929  -0.293
   99    HA   ILE  15           HA       ILE  15   3.561   6.149  -0.493
  100    HB   ILE  15           HB       ILE  15   2.388   7.678   1.844
  101   1HG1  ILE  15          1HG1      ILE  15   4.556   6.311   2.820
  102   2HG1  ILE  15          2HG1      ILE  15   5.091   6.564   1.167
  103   1HG2  ILE  15          1HG2      ILE  15   2.632   4.670   1.558
  104   2HG2  ILE  15          2HG2      ILE  15   2.476   5.511   3.119
  105   3HG2  ILE  15          3HG2      ILE  15   1.199   5.623   1.922
  106   1HD1  ILE  15          1HD1      ILE  15   4.175   8.729   3.119
  107   2HD1  ILE  15          2HD1      ILE  15   5.854   8.345   2.693
  108   3HD1  ILE  15          3HD1      ILE  15   4.770   9.027   1.470
  109    HA   PRO  16           HA       PRO  16  -0.671   6.131  -2.181
  110   1HB   PRO  16          1HB       PRO  16  -0.305   4.226  -4.118
  111   2HB   PRO  16          2HB       PRO  16   0.189   5.928  -4.349
  112   1HG   PRO  16          1HG       PRO  16   1.918   3.590  -3.496
  113   2HG   PRO  16          2HG       PRO  16   2.253   4.800  -4.773
  114   1HD   PRO  16          1HD       PRO  16   3.275   5.015  -2.248
  115   2HD   PRO  16          2HD       PRO  16   2.799   6.460  -3.179
  116    H    PHE  17           H        PHE  17  -1.804   3.651  -2.604
  117    HA   PHE  17           HA       PHE  17  -1.909   2.370  -0.076
  118   1HB   PHE  17          1HB       PHE  17  -3.369   0.760  -1.331
  119   2HB   PHE  17          2HB       PHE  17  -3.802   2.441  -1.531
  120    HD1  PHE  17           HD1      PHE  17  -3.918   3.453  -3.698
  121    HD2  PHE  17           HD2      PHE  17  -2.063  -0.424  -3.241
  122    HE1  PHE  17           HE1      PHE  17  -3.760   3.227  -6.159
  123    HE2  PHE  17           HE2      PHE  17  -1.901  -0.630  -5.701
  124    HZ   PHE  17           HZ       PHE  17  -2.745   1.192  -7.165
  125    H    PHE  18           H        PHE  18   0.885   2.270  -1.359
  126    HA   PHE  18           HA       PHE  18   1.455  -0.223  -2.488
  127   1HB   PHE  18          1HB       PHE  18   3.712   0.258  -2.295
  128   2HB   PHE  18          2HB       PHE  18   2.960   1.827  -2.391
  129    HD1  PHE  18           HD1      PHE  18   4.667  -0.574  -0.175
  130    HD2  PHE  18           HD2      PHE  18   3.280   3.484  -0.628
  131    HE1  PHE  18           HE1      PHE  18   6.075   0.115   1.740
  132    HE2  PHE  18           HE2      PHE  18   4.786   4.174   1.234
  133    HZ   PHE  18           HZ       PHE  18   6.140   2.499   2.437
  134    HA   PRO  19           HA       PRO  19   2.529  -1.977   1.854
  135   1HB   PRO  19          1HB       PRO  19   0.855  -1.361   3.979
  136   2HB   PRO  19          2HB       PRO  19   2.446  -0.612   3.645
  137   1HG   PRO  19          1HG       PRO  19  -0.299   0.406   2.853
  138   2HG   PRO  19          2HG       PRO  19   1.043   1.314   3.630
  139   1HD   PRO  19          1HD       PRO  19   0.668   1.510   1.024
  140   2HD   PRO  19          2HD       PRO  19   2.323   1.292   1.638
  141    H    VAL  20           H        VAL  20  -0.620  -1.598   0.391
  142    HA   VAL  20           HA       VAL  20  -2.047  -3.776   1.508
  143    HB   VAL  20           HB       VAL  20  -1.885  -2.446  -1.230
  144   1HG1  VAL  20          1HG1      VAL  20  -3.905  -3.669  -1.947
  145   2HG1  VAL  20          2HG1      VAL  20  -2.458  -4.652  -1.881
  146   3HG1  VAL  20          3HG1      VAL  20  -3.660  -4.801  -0.580
  147   1HG2  VAL  20          1HG2      VAL  20  -4.123  -2.579   0.844
  148   2HG2  VAL  20          2HG2      VAL  20  -2.996  -1.220   0.639
  149   3HG2  VAL  20          3HG2      VAL  20  -4.129  -1.626  -0.654
  150    H    HIS  21           H        HIS  21   0.172  -3.730  -1.287
  151    HA   HIS  21           HA       HIS  21  -0.048  -6.491  -1.899
  152   1HB   HIS  21          1HB       HIS  21   1.839  -4.218  -2.422
  153   2HB   HIS  21          2HB       HIS  21   2.286  -5.830  -2.994
  154    HD1  HIS  21           HD1      HIS  21  -1.378  -5.550  -3.581
  155    HD2  HIS  21           HD2      HIS  21   2.169  -3.984  -5.256
  156    HE1  HIS  21           HE1      HIS  21  -1.972  -4.715  -5.903
  157    H    LEU  22           H        LEU  22   2.131  -4.751   0.259
  158    HA   LEU  22           HA       LEU  22   3.809  -7.043   0.852
  159   1HB   LEU  22          1HB       LEU  22   3.486  -4.323   2.202
  160   2HB   LEU  22          2HB       LEU  22   4.632  -5.548   2.686
  161    HG   LEU  22           HG       LEU  22   5.955  -4.154   1.449
  162   1HD1  LEU  22          1HD1      LEU  22   6.641  -5.280  -0.575
  163   2HD1  LEU  22          2HD1      LEU  22   6.160  -6.508   0.608
  164   3HD1  LEU  22          3HD1      LEU  22   5.075  -6.085  -0.742
  165   1HD2  LEU  22          1HD2      LEU  22   5.439  -3.068  -0.641
  166   2HD2  LEU  22          2HD2      LEU  22   3.882  -3.896  -0.767
  167   3HD2  LEU  22          3HD2      LEU  22   4.168  -2.719   0.532
  168    H    LYS  23           H        LYS  23   1.156  -5.344   2.703
  169    HA   LYS  23           HA       LYS  23   1.279  -7.250   4.830
  170   1HB   LYS  23          1HB       LYS  23   0.121  -4.971   4.862
  171   2HB   LYS  23          2HB       LYS  23  -1.219  -5.725   3.977
  172   1HG   LYS  23          1HG       LYS  23  -1.478  -7.378   5.848
  173   2HG   LYS  23          2HG       LYS  23  -0.115  -6.622   6.688
  174   1HD   LYS  23          1HD       LYS  23  -1.429  -4.473   6.743
  175   2HD   LYS  23          2HD       LYS  23  -2.815  -5.335   6.067
  176   1HE   LYS  23          1HE       LYS  23  -1.391  -5.988   8.698
  177   2HE   LYS  23          2HE       LYS  23  -2.890  -5.068   8.562
  178   1HZ   LYS  23          1HZ       LYS  23  -3.304  -7.362   9.129
  179   2HZ   LYS  23          2HZ       LYS  23  -3.963  -7.031   7.665
  180   3HZ   LYS  23          3HZ       LYS  23  -2.565  -7.899   7.767
  181    H    ARG  24           H        ARG  24  -0.212  -7.376   1.633
  182    HA   ARG  24           HA       ARG  24  -1.845  -9.691   2.105
  183   1HB   ARG  24          1HB       ARG  24  -2.280  -8.386   0.197
  184   2HB   ARG  24          2HB       ARG  24  -0.631  -8.409  -0.355
  185   1HG   ARG  24          1HG       ARG  24  -2.498 -10.822  -0.369
  186   2HG   ARG  24          2HG       ARG  24  -2.247  -9.725  -1.716
  187   1HD   ARG  24          1HD       ARG  24  -0.392 -11.845  -0.669
  188   2HD   ARG  24          2HD       ARG  24  -0.947 -11.528  -2.307
  189    HE   ARG  24           HE       ARG  24   0.686  -9.373  -1.220
  190   1HH1  ARG  24          1HH1      ARG  24   0.938 -12.526  -2.824
  191   2HH1  ARG  24          2HH1      ARG  24   2.549 -12.276  -3.377
  192   1HH2  ARG  24          1HH2      ARG  24   2.743  -9.029  -1.856
  193   2HH2  ARG  24          2HH2      ARG  24   3.633 -10.165  -2.829
  194    H    LEU  25           H        LEU  25   1.652  -9.341   1.463
  195    HA   LEU  25           HA       LEU  25   2.053 -12.157   0.958
  196   1HB   LEU  25          1HB       LEU  25   3.662 -10.254   0.374
  197   2HB   LEU  25          2HB       LEU  25   4.036 -10.128   2.081
  198    HG   LEU  25           HG       LEU  25   4.876 -12.450   2.130
  199   1HD1  LEU  25          1HD1      LEU  25   4.317 -12.430  -0.878
  200   2HD1  LEU  25          2HD1      LEU  25   5.323 -13.624  -0.033
  201   3HD1  LEU  25          3HD1      LEU  25   3.611 -13.531   0.339
  202   1HD2  LEU  25          1HD2      LEU  25   6.113 -10.723  -0.065
  203   2HD2  LEU  25          2HD2      LEU  25   6.400 -10.562   1.684
  204   3HD2  LEU  25          3HD2      LEU  25   6.926 -12.019   0.839
  205    H    LEU  26           H        LEU  26   2.285 -10.015   3.755
  206    HA   LEU  26           HA       LEU  26   3.013 -12.014   5.668
  207   1HB   LEU  26          1HB       LEU  26   3.234  -9.615   6.123
  208   2HB   LEU  26          2HB       LEU  26   1.479  -9.419   6.079
  209    HG   LEU  26           HG       LEU  26   1.242 -10.852   8.088
  210   1HD1  LEU  26          1HD1      LEU  26   3.275 -11.423   9.427
  211   2HD1  LEU  26          2HD1      LEU  26   3.210 -12.310   7.910
  212   3HD1  LEU  26          3HD1      LEU  26   4.302 -10.913   8.069
  213   1HD2  LEU  26          1HD2      LEU  26   1.462  -8.408   8.301
  214   2HD2  LEU  26          2HD2      LEU  26   2.177  -9.249   9.687
  215   3HD2  LEU  26          3HD2      LEU  26   3.229  -8.572   8.429
  216    H    ILE  27           H        ILE  27  -0.251 -10.876   4.679
  217    HA   ILE  27           HA       ILE  27  -1.718 -12.548   6.469
  218    HB   ILE  27           HB       ILE  27  -2.403 -11.256   3.805
  219   1HG1  ILE  27          1HG1      ILE  27  -3.470 -10.623   6.594
  220   2HG1  ILE  27          2HG1      ILE  27  -1.990  -9.898   6.004
  221   1HG2  ILE  27          1HG2      ILE  27  -3.874 -13.221   4.011
  222   2HG2  ILE  27          2HG2      ILE  27  -4.297 -12.766   5.667
  223   3HG2  ILE  27          3HG2      ILE  27  -4.807 -11.762   4.291
  224   1HD1  ILE  27          1HD1      ILE  27  -3.217  -8.925   4.061
  225   2HD1  ILE  27          2HD1      ILE  27  -4.736  -9.563   4.731
  226   3HD1  ILE  27          3HD1      ILE  27  -3.813  -8.353   5.629
  227    H    LEU  28           H        LEU  28  -0.556 -13.132   3.083
  228    HA   LEU  28           HA       LEU  28  -1.520 -15.817   2.921
  229   1HB   LEU  28          1HB       LEU  28  -0.682 -14.312   1.086
  230   2HB   LEU  28          2HB       LEU  28   0.956 -14.704   1.602
  231    HG   LEU  28           HG       LEU  28   0.142 -15.990  -0.288
  232   1HD1  LEU  28          1HD1      LEU  28   0.457 -18.015   1.915
  233   2HD1  LEU  28          2HD1      LEU  28   1.035 -18.065   0.256
  234   3HD1  LEU  28          3HD1      LEU  28   1.792 -16.950   1.428
  235   1HD2  LEU  28          1HD2      LEU  28  -1.795 -17.453   1.569
  236   2HD2  LEU  28          2HD2      LEU  28  -2.295 -16.202   0.426
  237   3HD2  LEU  28          3HD2      LEU  28  -1.572 -17.721  -0.154
  238    H    LEU  29           H        LEU  29   1.680 -14.646   4.030
  239    HA   LEU  29           HA       LEU  29   2.694 -17.171   4.722
  240   1HB   LEU  29          1HB       LEU  29   4.034 -15.096   4.725
  241   2HB   LEU  29          2HB       LEU  29   3.129 -14.498   6.118
  242    HG   LEU  29           HG       LEU  29   4.040 -16.323   7.530
  243   1HD1  LEU  29          1HD1      LEU  29   4.458 -18.076   5.855
  244   2HD1  LEU  29          2HD1      LEU  29   5.664 -17.051   5.038
  245   3HD1  LEU  29          3HD1      LEU  29   5.960 -17.672   6.679
  246   1HD2  LEU  29          1HD2      LEU  29   6.326 -15.453   7.655
  247   2HD2  LEU  29          2HD2      LEU  29   6.161 -14.719   6.044
  248   3HD2  LEU  29          3HD2      LEU  29   5.168 -14.141   7.405
  249    H    LEU  30           H        LEU  30   0.451 -15.155   6.624
  250    HA   LEU  30           HA       LEU  30   0.415 -16.947   8.901
  251   1HB   LEU  30          1HB       LEU  30  -0.236 -14.554   8.996
  252   2HB   LEU  30          2HB       LEU  30  -1.605 -14.897   7.955
  253    HG   LEU  30           HG       LEU  30  -2.593 -16.392   9.673
  254   1HD1  LEU  30          1HD1      LEU  30  -1.680 -16.322  11.999
  255   2HD1  LEU  30          2HD1      LEU  30  -0.598 -17.146  10.883
  256   3HD1  LEU  30          3HD1      LEU  30  -0.233 -15.481  11.393
  257   1HD2  LEU  30          1HD2      LEU  30  -3.212 -14.018   9.562
  258   2HD2  LEU  30          2HD2      LEU  30  -3.249 -14.615  11.227
  259   3HD2  LEU  30          3HD2      LEU  30  -1.888 -13.607  10.683
  260    H    LEU  31           H        LEU  31  -1.667 -16.512   6.030
  261    HA   LEU  31           HA       LEU  31  -2.855 -19.164   6.433
  262   1HB   LEU  31          1HB       LEU  31  -4.349 -17.460   7.457
  263   2HB   LEU  31          2HB       LEU  31  -4.373 -16.579   5.927
  264    HG   LEU  31           HG       LEU  31  -5.448 -18.566   4.833
  265   1HD1  LEU  31          1HD1      LEU  31  -4.711 -20.391   6.305
  266   2HD1  LEU  31          2HD1      LEU  31  -5.566 -19.663   7.680
  267   3HD1  LEU  31          3HD1      LEU  31  -6.472 -20.312   6.296
  268   1HD2  LEU  31          1HD2      LEU  31  -6.910 -17.482   7.277
  269   2HD2  LEU  31          2HD2      LEU  31  -6.796 -16.692   5.687
  270   3HD2  LEU  31          3HD2      LEU  31  -7.663 -18.226   5.848
  271   1HN   NH2  32          1HN       NH2  32  -1.299 -19.717   4.823
  272   2HN   NH2  32          2HN       NH2  32  -1.682 -19.410   3.143
  Start of MODEL    5
    1   1H    SER   1          1H        SER   1 -10.050  26.043  -4.110
    2   2H    SER   1          2H        SER   1  -9.415  26.022  -5.657
    3   3H    SER   1          3H        SER   1  -9.741  24.616  -4.877
    4    HA   SER   1           HA       SER   1  -7.728  26.512  -3.945
    5   1HB   SER   1          1HB       SER   1  -7.078  24.417  -2.598
    6   2HB   SER   1          2HB       SER   1  -8.630  25.147  -2.163
    7    HG   SER   1           HG       SER   1  -8.062  22.738  -3.435
    8    HA   PRO   2           HA       PRO   2  -5.047  23.874  -6.748
    9   1HB   PRO   2          1HB       PRO   2  -2.992  23.168  -5.037
   10   2HB   PRO   2          2HB       PRO   2  -3.071  24.753  -5.866
   11   1HG   PRO   2          1HG       PRO   2  -3.969  24.050  -3.052
   12   2HG   PRO   2          2HG       PRO   2  -2.921  25.412  -3.569
   13   1HD   PRO   2          1HD       PRO   2  -5.564  25.784  -3.143
   14   2HD   PRO   2          2HD       PRO   2  -4.748  26.584  -4.508
   15    HA   PRO   3           HA       PRO   3  -6.474  19.865  -5.313
   16   1HB   PRO   3          1HB       PRO   3  -4.429  18.083  -5.838
   17   2HB   PRO   3          2HB       PRO   3  -5.486  18.786  -7.101
   18   1HG   PRO   3          1HG       PRO   3  -2.739  19.733  -6.220
   19   2HG   PRO   3          2HG       PRO   3  -3.329  19.449  -7.891
   20   1HD   PRO   3          1HD       PRO   3  -3.294  21.929  -6.835
   21   2HD   PRO   3          2HD       PRO   3  -4.679  21.408  -7.836
   22    H    ASP   4           H        ASP   4  -5.936  18.013  -3.638
   23    HA   ASP   4           HA       ASP   4  -4.986  19.363  -1.284
   24   1HB   ASP   4          1HB       ASP   4  -6.234  17.711  -0.150
   25   2HB   ASP   4          2HB       ASP   4  -7.223  18.042  -1.569
   26    H    TYR   5           H        TYR   5  -3.994  18.046   0.188
   27    HA   TYR   5           HA       TYR   5  -2.117  15.899  -0.491
   28   1HB   TYR   5          1HB       TYR   5  -0.572  17.112   1.112
   29   2HB   TYR   5          2HB       TYR   5  -0.728  17.822  -0.488
   30    HD1  TYR   5           HD1      TYR   5  -1.683  20.042  -0.784
   31    HD2  TYR   5           HD2      TYR   5  -1.654  18.181   3.112
   32    HE1  TYR   5           HE1      TYR   5  -2.287  22.202   0.244
   33    HE2  TYR   5           HE2      TYR   5  -2.273  20.346   4.150
   34    HH   TYR   5           HH       TYR   5  -2.623  23.356   2.255
   35    H    SER   6           H        SER   6  -4.920  16.526   0.946
   36    HA   SER   6           HA       SER   6  -4.542  15.921   3.737
   37   1HB   SER   6          1HB       SER   6  -7.036  15.510   2.039
   38   2HB   SER   6          2HB       SER   6  -6.942  15.840   3.780
   39    HG   SER   6           HG       SER   6  -7.517  17.699   2.590
   40    H    ALA   7           H        ALA   7  -5.055  14.225   0.757
   41    HA   ALA   7           HA       ALA   7  -5.051  11.550   2.100
   42   1HB   ALA   7          1HB       ALA   7  -6.696  11.728   0.300
   43   2HB   ALA   7          2HB       ALA   7  -5.482  12.361  -0.819
   44   3HB   ALA   7          3HB       ALA   7  -5.364  10.685  -0.243
   45    H    ALA   8           H        ALA   8  -3.118  10.430   2.064
   46    HA   ALA   8           HA       ALA   8  -0.781  11.681   2.218
   47   1HB   ALA   8          1HB       ALA   8   0.344   9.488   1.910
   48   2HB   ALA   8          2HB       ALA   8  -1.131   9.337   2.888
   49   3HB   ALA   8          3HB       ALA   8  -1.130   8.839   1.175
   50    HA   PRO   9           HA       PRO   9   0.529  13.190  -1.665
   51   1HB   PRO   9          1HB       PRO   9   3.331  12.933  -1.468
   52   2HB   PRO   9          2HB       PRO   9   2.330  14.286  -0.867
   53   1HG   PRO   9          1HG       PRO   9   3.371  11.903   0.665
   54   2HG   PRO   9          2HG       PRO   9   3.258  13.608   1.189
   55   1HD   PRO   9          1HD       PRO   9   1.457  11.739   1.969
   56   2HD   PRO   9          2HD       PRO   9   0.930  13.409   1.594
   57    H    ARG  10           H        ARG  10   0.758  12.367  -3.704
   58    HA   ARG  10           HA       ARG  10   1.553   9.528  -3.951
   59   1HB   ARG  10          1HB       ARG  10  -0.452   9.144  -5.347
   60   2HB   ARG  10          2HB       ARG  10  -0.795   9.395  -3.650
   61   1HG   ARG  10          1HG       ARG  10  -1.104  11.650  -5.676
   62   2HG   ARG  10          2HG       ARG  10  -2.340  10.428  -5.438
   63   1HD   ARG  10          1HD       ARG  10  -2.557  11.065  -3.046
   64   2HD   ARG  10          2HD       ARG  10  -1.389  12.377  -3.295
   65    HE   ARG  10           HE       ARG  10  -3.442  12.539  -5.242
   66   1HH1  ARG  10          1HH1      ARG  10  -3.095  13.266  -1.670
   67   2HH1  ARG  10          2HH1      ARG  10  -4.417  14.364  -1.750
   68   1HH2  ARG  10          1HH2      ARG  10  -5.212  14.012  -5.138
   69   2HH2  ARG  10          2HH2      ARG  10  -5.578  14.753  -3.622
   70    H    GLY  11           H        GLY  11   2.563   9.026  -5.805
   71   1HA   GLY  11          1HA       GLY  11   3.609   9.220  -7.819
   72   2HA   GLY  11          2HA       GLY  11   2.407  10.444  -8.251
   73    H    ARG  12           H        ARG  12   4.096  11.484  -5.494
   74    HA   ARG  12           HA       ARG  12   6.404  12.650  -6.652
   75   1HB   ARG  12          1HB       ARG  12   4.020  14.447  -5.925
   76   2HB   ARG  12          2HB       ARG  12   5.702  14.989  -6.001
   77   1HG   ARG  12          1HG       ARG  12   5.754  14.130  -8.411
   78   2HG   ARG  12          2HG       ARG  12   3.989  13.966  -8.294
   79   1HD   ARG  12          1HD       ARG  12   3.759  16.363  -7.854
   80   2HD   ARG  12          2HD       ARG  12   5.530  16.549  -7.843
   81    HE   ARG  12           HE       ARG  12   4.651  15.310 -10.258
   82   1HH1  ARG  12          1HH1      ARG  12   4.791  18.490  -8.717
   83   2HH1  ARG  12          2HH1      ARG  12   4.891  19.393 -10.182
   84   1HH2  ARG  12          1HH2      ARG  12   4.781  16.488 -12.259
   85   2HH2  ARG  12          2HH2      ARG  12   4.872  18.204 -12.262
   86    H    PHE  13           H        PHE  13   7.511  12.006  -5.070
   87    HA   PHE  13           HA       PHE  13   8.239  11.188  -3.008
   88   1HB   PHE  13          1HB       PHE  13   7.762  14.150  -2.723
   89   2HB   PHE  13          2HB       PHE  13   8.856  13.217  -1.692
   90    HD1  PHE  13           HD1      PHE  13   8.587  15.191  -4.661
   91    HD2  PHE  13           HD2      PHE  13  10.775  11.891  -2.938
   92    HE1  PHE  13           HE1      PHE  13  10.412  15.529  -6.310
   93    HE2  PHE  13           HE2      PHE  13  12.587  12.238  -4.592
   94    HZ   PHE  13           HZ       PHE  13  12.409  14.051  -6.280
   95    H    GLY  14           H        GLY  14   6.359   9.788  -2.386
   96   1HA   GLY  14          1HA       GLY  14   5.249  10.582   0.119
   97   2HA   GLY  14          2HA       GLY  14   4.074  10.709  -1.194
   98    H    ILE  15           H        ILE  15   3.049   9.057   0.245
   99    HA   ILE  15           HA       ILE  15   4.118   6.264   0.050
  100    HB   ILE  15           HB       ILE  15   2.540   7.729   2.179
  101   1HG1  ILE  15          1HG1      ILE  15   5.253   6.329   2.193
  102   2HG1  ILE  15          2HG1      ILE  15   4.977   8.063   2.215
  103   1HG2  ILE  15          1HG2      ILE  15   3.009   4.731   1.952
  104   2HG2  ILE  15          2HG2      ILE  15   2.449   5.554   3.425
  105   3HG2  ILE  15          3HG2      ILE  15   1.464   5.570   1.983
  106   1HD1  ILE  15          1HD1      ILE  15   4.354   6.121   4.457
  107   2HD1  ILE  15          2HD1      ILE  15   5.534   7.435   4.428
  108   3HD1  ILE  15          3HD1      ILE  15   3.801   7.816   4.427
  109    HA   PRO  16           HA       PRO  16   0.217   6.142  -2.303
  110   1HB   PRO  16          1HB       PRO  16   0.925   4.241  -4.139
  111   2HB   PRO  16          2HB       PRO  16   1.472   5.935  -4.290
  112   1HG   PRO  16          1HG       PRO  16   2.990   3.592  -3.101
  113   2HG   PRO  16          2HG       PRO  16   3.562   4.768  -4.327
  114   1HD   PRO  16          1HD       PRO  16   4.118   5.046  -1.666
  115   2HD   PRO  16          2HD       PRO  16   3.826   6.465  -2.714
  116    H    PHE  17           H        PHE  17  -0.749   3.627  -2.912
  117    HA   PHE  17           HA       PHE  17  -1.278   2.330  -0.436
  118   1HB   PHE  17          1HB       PHE  17  -2.457   0.710  -1.961
  119   2HB   PHE  17          2HB       PHE  17  -2.895   2.384  -2.196
  120    HD1  PHE  17           HD1      PHE  17  -0.834  -0.412  -3.653
  121    HD2  PHE  17           HD2      PHE  17  -2.625   3.470  -4.320
  122    HE1  PHE  17           HE1      PHE  17  -0.236  -0.540  -6.037
  123    HE2  PHE  17           HE2      PHE  17  -2.022   3.319  -6.719
  124    HZ   PHE  17           HZ       PHE  17  -0.820   1.321  -7.582
  125    H    PHE  18           H        PHE  18   1.703   2.312  -1.183
  126    HA   PHE  18           HA       PHE  18   2.511  -0.135  -2.263
  127   1HB   PHE  18          1HB       PHE  18   4.691   0.340  -1.638
  128   2HB   PHE  18          2HB       PHE  18   3.958   1.912  -1.796
  129    HD1  PHE  18           HD1      PHE  18   4.035   3.507   0.031
  130    HD2  PHE  18           HD2      PHE  18   5.167  -0.616   0.618
  131    HE1  PHE  18           HE1      PHE  18   5.125   4.078   2.201
  132    HE2  PHE  18           HE2      PHE  18   6.168  -0.035   2.803
  133    HZ   PHE  18           HZ       PHE  18   6.149   2.321   3.592
  134    HA   PRO  19           HA       PRO  19   2.897  -2.045   2.085
  135   1HB   PRO  19          1HB       PRO  19   1.155  -1.442   4.113
  136   2HB   PRO  19          2HB       PRO  19   2.709  -0.598   3.835
  137   1HG   PRO  19          1HG       PRO  19  -0.052   0.242   2.894
  138   2HG   PRO  19          2HG       PRO  19   1.167   1.230   3.769
  139   1HD   PRO  19          1HD       PRO  19   0.946   1.392   1.125
  140   2HD   PRO  19          2HD       PRO  19   2.559   1.354   1.876
  141    H    VAL  20           H        VAL  20  -0.046  -1.572   0.322
  142    HA   VAL  20           HA       VAL  20  -1.726  -3.615   1.303
  143    HB   VAL  20           HB       VAL  20  -1.122  -2.397  -1.429
  144   1HG1  VAL  20          1HG1      VAL  20  -3.132  -3.515  -2.360
  145   2HG1  VAL  20          2HG1      VAL  20  -1.740  -4.541  -2.151
  146   3HG1  VAL  20          3HG1      VAL  20  -3.066  -4.656  -0.972
  147   1HG2  VAL  20          1HG2      VAL  20  -2.387  -1.046   0.243
  148   2HG2  VAL  20          2HG2      VAL  20  -3.377  -1.436  -1.168
  149   3HG2  VAL  20          3HG2      VAL  20  -3.610  -2.333   0.346
  150    H    HIS  21           H        HIS  21   0.643  -3.864  -1.301
  151    HA   HIS  21           HA       HIS  21   0.356  -6.579  -1.837
  152   1HB   HIS  21          1HB       HIS  21   2.612  -4.606  -2.041
  153   2HB   HIS  21          2HB       HIS  21   2.662  -6.150  -2.904
  154    HD1  HIS  21           HD1      HIS  21   0.431  -6.167  -4.890
  155    HD2  HIS  21           HD2      HIS  21   1.676  -2.569  -3.066
  156    HE1  HIS  21           HE1      HIS  21  -0.602  -4.270  -6.234
  157    H    LEU  22           H        LEU  22   2.594  -4.958   0.321
  158    HA   LEU  22           HA       LEU  22   4.011  -7.280   1.241
  159   1HB   LEU  22          1HB       LEU  22   3.686  -4.501   2.461
  160   2HB   LEU  22          2HB       LEU  22   4.764  -5.738   3.051
  161    HG   LEU  22           HG       LEU  22   6.246  -4.495   1.872
  162   1HD1  LEU  22          1HD1      LEU  22   6.322  -6.811   0.927
  163   2HD1  LEU  22          2HD1      LEU  22   5.291  -6.265  -0.422
  164   3HD1  LEU  22          3HD1      LEU  22   6.901  -5.569  -0.196
  165   1HD2  LEU  22          1HD2      LEU  22   4.252  -3.987  -0.369
  166   2HD2  LEU  22          2HD2      LEU  22   4.627  -2.881   0.971
  167   3HD2  LEU  22          3HD2      LEU  22   5.875  -3.302  -0.202
  168    H    LYS  23           H        LYS  23   1.262  -5.383   2.771
  169    HA   LYS  23           HA       LYS  23   1.173  -7.217   4.977
  170   1HB   LYS  23          1HB       LYS  23   0.129  -4.949   5.055
  171   2HB   LYS  23          2HB       LYS  23  -1.034  -5.450   3.826
  172   1HG   LYS  23          1HG       LYS  23  -2.138  -5.545   5.961
  173   2HG   LYS  23          2HG       LYS  23  -1.918  -7.187   5.394
  174   1HD   LYS  23          1HD       LYS  23   0.341  -6.938   6.923
  175   2HD   LYS  23          2HD       LYS  23  -0.680  -5.772   7.740
  176   1HE   LYS  23          1HE       LYS  23  -1.312  -8.717   7.205
  177   2HE   LYS  23          2HE       LYS  23  -0.768  -8.048   8.744
  178   1HZ   LYS  23          1HZ       LYS  23  -3.136  -8.382   8.729
  179   2HZ   LYS  23          2HZ       LYS  23  -2.816  -6.781   8.867
  180   3HZ   LYS  23          3HZ       LYS  23  -3.336  -7.400   7.430
  181    H    ARG  24           H        ARG  24  -0.133  -7.309   1.705
  182    HA   ARG  24           HA       ARG  24  -1.855  -9.574   2.122
  183   1HB   ARG  24          1HB       ARG  24  -2.265  -8.174   0.270
  184   2HB   ARG  24          2HB       ARG  24  -0.627  -8.272  -0.316
  185   1HG   ARG  24          1HG       ARG  24  -1.918 -10.941  -0.256
  186   2HG   ARG  24          2HG       ARG  24  -2.843  -9.765  -1.165
  187   1HD   ARG  24          1HD       ARG  24  -1.277 -10.945  -2.633
  188   2HD   ARG  24          2HD       ARG  24  -0.966  -9.219  -2.584
  189    HE   ARG  24           HE       ARG  24   1.011  -9.529  -1.352
  190   1HH1  ARG  24          1HH1      ARG  24  -0.480 -12.693  -1.955
  191   2HH1  ARG  24          2HH1      ARG  24   1.000 -13.571  -1.982
  192   1HH2  ARG  24          1HH2      ARG  24   2.997 -10.656  -1.447
  193   2HH2  ARG  24          2HH2      ARG  24   3.050 -12.367  -1.668
  194    H    LEU  25           H        LEU  25   1.644  -9.254   1.564
  195    HA   LEU  25           HA       LEU  25   2.106 -12.054   1.038
  196   1HB   LEU  25          1HB       LEU  25   3.696 -10.042   0.698
  197   2HB   LEU  25          2HB       LEU  25   4.049 -10.145   2.414
  198    HG   LEU  25           HG       LEU  25   4.396 -12.510   0.530
  199   1HD1  LEU  25          1HD1      LEU  25   5.763 -10.613  -0.272
  200   2HD1  LEU  25          2HD1      LEU  25   6.461 -10.423   1.352
  201   3HD1  LEU  25          3HD1      LEU  25   6.779 -11.889   0.407
  202   1HD2  LEU  25          1HD2      LEU  25   4.438 -13.231   2.866
  203   2HD2  LEU  25          2HD2      LEU  25   6.083 -13.228   2.266
  204   3HD2  LEU  25          3HD2      LEU  25   5.533 -11.901   3.305
  205    H    LEU  26           H        LEU  26   2.145 -10.020   3.985
  206    HA   LEU  26           HA       LEU  26   2.668 -12.192   5.761
  207   1HB   LEU  26          1HB       LEU  26   3.035  -9.846   6.361
  208   2HB   LEU  26          2HB       LEU  26   1.297  -9.534   6.303
  209    HG   LEU  26           HG       LEU  26   0.920 -11.028   8.222
  210   1HD1  LEU  26          1HD1      LEU  26   2.710 -12.689   7.973
  211   2HD1  LEU  26          2HD1      LEU  26   3.954 -11.437   8.195
  212   3HD1  LEU  26          3HD1      LEU  26   2.878 -11.897   9.532
  213   1HD2  LEU  26          1HD2      LEU  26   1.999  -9.649   9.929
  214   2HD2  LEU  26          2HD2      LEU  26   3.169  -9.042   8.743
  215   3HD2  LEU  26          3HD2      LEU  26   1.449  -8.628   8.589
  216    H    ILE  27           H        ILE  27  -0.465 -10.864   4.613
  217    HA   ILE  27           HA       ILE  27  -2.127 -12.513   6.256
  218    HB   ILE  27           HB       ILE  27  -2.562 -11.175   3.563
  219   1HG1  ILE  27          1HG1      ILE  27  -3.819 -10.590   6.283
  220   2HG1  ILE  27          2HG1      ILE  27  -2.313  -9.854   5.783
  221   1HG2  ILE  27          1HG2      ILE  27  -4.635 -12.685   5.223
  222   2HG2  ILE  27          2HG2      ILE  27  -5.004 -11.654   3.823
  223   3HG2  ILE  27          3HG2      ILE  27  -4.071 -13.125   3.604
  224   1HD1  ILE  27          1HD1      ILE  27  -4.985  -9.492   4.375
  225   2HD1  ILE  27          2HD1      ILE  27  -4.123  -8.306   5.360
  226   3HD1  ILE  27          3HD1      ILE  27  -3.432  -8.831   3.812
  227    H    LEU  28           H        LEU  28  -0.720 -13.095   2.965
  228    HA   LEU  28           HA       LEU  28  -1.792 -15.742   2.698
  229   1HB   LEU  28          1HB       LEU  28  -0.834 -14.220   0.929
  230   2HB   LEU  28          2HB       LEU  28   0.767 -14.677   1.500
  231    HG   LEU  28           HG       LEU  28  -0.013 -15.892  -0.448
  232   1HD1  LEU  28          1HD1      LEU  28   0.792 -18.009   0.077
  233   2HD1  LEU  28          2HD1      LEU  28   1.540 -16.946   1.304
  234   3HD1  LEU  28          3HD1      LEU  28   0.154 -17.978   1.712
  235   1HD2  LEU  28          1HD2      LEU  28  -2.053 -17.351   1.295
  236   2HD2  LEU  28          2HD2      LEU  28  -2.488 -16.043   0.193
  237   3HD2  LEU  28          3HD2      LEU  28  -1.792 -17.561  -0.428
  238    H    LEU  29           H        LEU  29   1.369 -14.661   3.957
  239    HA   LEU  29           HA       LEU  29   2.328 -17.212   4.634
  240   1HB   LEU  29          1HB       LEU  29   3.671 -15.127   4.751
  241   2HB   LEU  29          2HB       LEU  29   2.718 -14.587   6.135
  242    HG   LEU  29           HG       LEU  29   3.582 -16.470   7.500
  243   1HD1  LEU  29          1HD1      LEU  29   5.285 -17.097   5.033
  244   2HD1  LEU  29          2HD1      LEU  29   5.530 -17.784   6.655
  245   3HD1  LEU  29          3HD1      LEU  29   4.055 -18.153   5.771
  246   1HD2  LEU  29          1HD2      LEU  29   5.746 -14.800   6.152
  247   2HD2  LEU  29          2HD2      LEU  29   4.714 -14.289   7.510
  248   3HD2  LEU  29          3HD2      LEU  29   5.868 -15.609   7.730
  249    H    LEU  30           H        LEU  30   0.024 -15.221   6.491
  250    HA   LEU  30           HA       LEU  30  -0.128 -17.100   8.701
  251   1HB   LEU  30          1HB       LEU  30  -0.672 -14.681   8.870
  252   2HB   LEU  30          2HB       LEU  30  -2.031 -14.926   7.788
  253    HG   LEU  30           HG       LEU  30  -3.131 -16.420   9.431
  254   1HD1  LEU  30          1HD1      LEU  30  -1.212 -17.347  10.638
  255   2HD1  LEU  30          2HD1      LEU  30  -0.748 -15.732  11.222
  256   3HD1  LEU  30          3HD1      LEU  30  -2.256 -16.501  11.774
  257   1HD2  LEU  30          1HD2      LEU  30  -2.277 -13.732  10.581
  258   2HD2  LEU  30          2HD2      LEU  30  -3.602 -14.007   9.419
  259   3HD2  LEU  30          3HD2      LEU  30  -3.708 -14.676  11.054
  260    H    LEU  31           H        LEU  31  -2.069 -16.468   5.780
  261    HA   LEU  31           HA       LEU  31  -3.481 -19.023   6.093
  262   1HB   LEU  31          1HB       LEU  31  -4.873 -17.132   6.945
  263   2HB   LEU  31          2HB       LEU  31  -4.697 -16.333   5.380
  264    HG   LEU  31           HG       LEU  31  -5.867 -18.292   4.301
  265   1HD1  LEU  31          1HD1      LEU  31  -7.181 -19.817   5.769
  266   2HD1  LEU  31          2HD1      LEU  31  -5.446 -20.059   5.963
  267   3HD1  LEU  31          3HD1      LEU  31  -6.351 -19.151   7.191
  268   1HD2  LEU  31          1HD2      LEU  31  -8.110 -17.656   5.088
  269   2HD2  LEU  31          2HD2      LEU  31  -7.403 -16.882   6.524
  270   3HD2  LEU  31          3HD2      LEU  31  -7.076 -16.234   4.899
  271   1HN   NH2  32          1HN       NH2  32  -1.730 -19.659   4.661
  272   2HN   NH2  32          2HN       NH2  32  -1.974 -19.424   2.944
  Start of MODEL    6
    1   1H    SER   1          1H        SER   1  -8.922  22.499   3.015
    2   2H    SER   1          2H        SER   1  -7.835  21.270   2.884
    3   3H    SER   1          3H        SER   1  -7.513  22.698   2.123
    4    HA   SER   1           HA       SER   1  -9.183  22.320   0.545
    5   1HB   SER   1          1HB       SER   1  -8.532  19.858  -0.080
    6   2HB   SER   1          2HB       SER   1  -7.277  21.100  -0.081
    7    HG   SER   1           HG       SER   1  -7.176  18.876   1.093
    8    HA   PRO   2           HA       PRO   2 -12.660  19.428   1.923
    9   1HB   PRO   2          1HB       PRO   2 -12.532  17.446  -0.065
   10   2HB   PRO   2          2HB       PRO   2 -13.478  18.960  -0.176
   11   1HG   PRO   2          1HG       PRO   2 -10.705  18.377  -1.249
   12   2HG   PRO   2          2HG       PRO   2 -12.083  19.147  -2.099
   13   1HD   PRO   2          1HD       PRO   2 -10.141  20.662  -1.053
   14   2HD   PRO   2          2HD       PRO   2 -11.837  21.149  -0.845
   15    HA   PRO   3           HA       PRO   3 -10.077  16.262   3.844
   16   1HB   PRO   3          1HB       PRO   3 -11.615  14.025   4.138
   17   2HB   PRO   3          2HB       PRO   3 -11.966  15.557   4.981
   18   1HG   PRO   3          1HG       PRO   3 -13.177  14.575   2.373
   19   2HG   PRO   3          2HG       PRO   3 -14.038  15.140   3.843
   20   1HD   PRO   3          1HD       PRO   3 -13.561  16.804   1.762
   21   2HD   PRO   3          2HD       PRO   3 -13.430  17.394   3.442
   22    H    ASP   4           H        ASP   4  -9.260  16.619   1.260
   23    HA   ASP   4           HA       ASP   4  -9.284  14.148  -0.301
   24   1HB   ASP   4          1HB       ASP   4  -8.212  15.537  -2.008
   25   2HB   ASP   4          2HB       ASP   4  -9.687  16.274  -1.416
   26    H    TYR   5           H        TYR   5  -7.840  14.395   2.311
   27    HA   TYR   5           HA       TYR   5  -5.019  14.471   1.933
   28   1HB   TYR   5          1HB       TYR   5  -4.867  13.370   4.087
   29   2HB   TYR   5          2HB       TYR   5  -6.135  14.583   4.142
   30    HD1  TYR   5           HD1      TYR   5  -5.420  10.928   4.049
   31    HD2  TYR   5           HD2      TYR   5  -8.488  13.938   4.464
   32    HE1  TYR   5           HE1      TYR   5  -7.055   9.180   4.706
   33    HE2  TYR   5           HE2      TYR   5 -10.113  12.208   5.108
   34    HH   TYR   5           HH       TYR   5 -10.473   9.926   5.433
   35    H    SER   6           H        SER   6  -7.308  12.069   1.005
   36    HA   SER   6           HA       SER   6  -5.511   9.787   0.894
   37   1HB   SER   6          1HB       SER   6  -8.181  10.351  -0.452
   38   2HB   SER   6          2HB       SER   6  -7.349   8.783  -0.442
   39    HG   SER   6           HG       SER   6  -7.980  10.172   1.960
   40    H    ALA   7           H        ALA   7  -5.594  12.655  -0.989
   41    HA   ALA   7           HA       ALA   7  -4.814  11.546  -3.537
   42   1HB   ALA   7          1HB       ALA   7  -5.948  13.744  -3.257
   43   2HB   ALA   7          2HB       ALA   7  -4.524  14.355  -2.386
   44   3HB   ALA   7          3HB       ALA   7  -4.392  13.898  -4.096
   45    H    ALA   8           H        ALA   8  -3.242  10.357  -1.505
   46    HA   ALA   8           HA       ALA   8  -0.742  11.489  -0.942
   47   1HB   ALA   8          1HB       ALA   8  -1.455   8.563  -1.389
   48   2HB   ALA   8          2HB       ALA   8   0.011   9.167  -0.590
   49   3HB   ALA   8          3HB       ALA   8  -1.578   9.457   0.145
   50    HA   PRO   9           HA       PRO   9   0.526  11.676  -5.196
   51   1HB   PRO   9          1HB       PRO   9   3.061  12.731  -4.966
   52   2HB   PRO   9          2HB       PRO   9   1.554  13.667  -4.744
   53   1HG   PRO   9          1HG       PRO   9   3.291  12.418  -2.600
   54   2HG   PRO   9          2HG       PRO   9   2.609  14.071  -2.650
   55   1HD   PRO   9          1HD       PRO   9   1.419  12.048  -1.255
   56   2HD   PRO   9          2HD       PRO   9   0.447  13.293  -2.100
   57    H    ARG  10           H        ARG  10   2.180  10.835  -6.664
   58    HA   ARG  10           HA       ARG  10   3.717   8.542  -5.667
   59   1HB   ARG  10          1HB       ARG  10   2.867   7.203  -7.693
   60   2HB   ARG  10          2HB       ARG  10   1.903   7.305  -6.235
   61   1HG   ARG  10          1HG       ARG  10   0.474   7.371  -8.131
   62   2HG   ARG  10          2HG       ARG  10   0.354   8.884  -7.247
   63   1HD   ARG  10          1HD       ARG  10   1.662  10.040  -8.963
   64   2HD   ARG  10          2HD       ARG  10   1.981   8.499  -9.794
   65    HE   ARG  10           HE       ARG  10  -0.835   9.057  -9.418
   66   1HH1  ARG  10          1HH1      ARG  10   1.903   9.808 -11.529
   67   2HH1  ARG  10          2HH1      ARG  10   0.954  10.118 -12.935
   68   1HH2  ARG  10          1HH2      ARG  10  -2.149   9.499 -11.281
   69   2HH2  ARG  10          2HH2      ARG  10  -1.429   9.953 -12.770
   70    H    GLY  11           H        GLY  11   5.614   8.228  -6.784
   71   1HA   GLY  11          1HA       GLY  11   7.367   8.753  -8.151
   72   2HA   GLY  11          2HA       GLY  11   6.277   9.638  -9.231
   73    H    ARG  12           H        ARG  12   5.857  10.825  -6.103
   74    HA   ARG  12           HA       ARG  12   8.157  12.578  -5.932
   75   1HB   ARG  12          1HB       ARG  12   5.346  13.719  -6.365
   76   2HB   ARG  12          2HB       ARG  12   6.687  14.607  -5.640
   77   1HG   ARG  12          1HG       ARG  12   8.008  14.207  -7.787
   78   2HG   ARG  12          2HG       ARG  12   6.528  13.533  -8.482
   79   1HD   ARG  12          1HD       ARG  12   6.692  15.801  -9.198
   80   2HD   ARG  12          2HD       ARG  12   5.359  15.705  -8.033
   81    HE   ARG  12           HE       ARG  12   7.640  16.370  -6.570
   82   1HH1  ARG  12          1HH1      ARG  12   5.801  17.878  -9.199
   83   2HH1  ARG  12          2HH1      ARG  12   6.211  19.497  -8.777
   84   1HH2  ARG  12          1HH2      ARG  12   8.202  18.545  -5.976
   85   2HH2  ARG  12          2HH2      ARG  12   7.618  19.875  -6.889
   86    H    PHE  13           H        PHE  13   8.537  11.571  -4.043
   87    HA   PHE  13           HA       PHE  13   8.126  10.545  -1.978
   88   1HB   PHE  13          1HB       PHE  13   7.963  13.544  -1.629
   89   2HB   PHE  13          2HB       PHE  13   8.459  12.390  -0.395
   90    HD1  PHE  13           HD1      PHE  13   9.557  14.441  -3.155
   91    HD2  PHE  13           HD2      PHE  13  10.553  10.925  -0.856
   92    HE1  PHE  13           HE1      PHE  13  11.898  14.548  -3.988
   93    HE2  PHE  13           HE2      PHE  13  12.883  11.047  -1.694
   94    HZ   PHE  13           HZ       PHE  13  13.555  12.851  -3.261
   95    H    GLY  14           H        GLY  14   5.991   9.426  -2.239
   96   1HA   GLY  14          1HA       GLY  14   4.209  10.355  -0.183
   97   2HA   GLY  14          2HA       GLY  14   3.478  10.328  -1.797
   98    H    ILE  15           H        ILE  15   2.373   8.682  -0.018
   99    HA   ILE  15           HA       ILE  15   3.394   5.905  -0.513
  100    HB   ILE  15           HB       ILE  15   2.175   7.083   1.999
  101   1HG1  ILE  15          1HG1      ILE  15   5.016   6.103   1.475
  102   2HG1  ILE  15          2HG1      ILE  15   4.521   7.768   1.759
  103   1HG2  ILE  15          1HG2      ILE  15   2.422   4.867   2.979
  104   2HG2  ILE  15          2HG2      ILE  15   1.459   4.730   1.523
  105   3HG2  ILE  15          3HG2      ILE  15   3.155   4.243   1.488
  106   1HD1  ILE  15          1HD1      ILE  15   4.467   5.513   3.785
  107   2HD1  ILE  15          2HD1      ILE  15   5.478   6.962   3.781
  108   3HD1  ILE  15          3HD1      ILE  15   3.730   7.115   4.051
  109    HA   PRO  16           HA       PRO  16  -0.906   6.175  -2.055
  110   1HB   PRO  16          1HB       PRO  16  -0.566   4.663  -4.321
  111   2HB   PRO  16          2HB       PRO  16  -0.121   6.394  -4.254
  112   1HG   PRO  16          1HG       PRO  16   1.704   3.999  -3.840
  113   2HG   PRO  16          2HG       PRO  16   1.952   5.386  -4.945
  114   1HD   PRO  16          1HD       PRO  16   3.094   5.342  -2.496
  115   2HD   PRO  16          2HD       PRO  16   2.419   6.858  -3.109
  116    H    PHE  17           H        PHE  17  -1.936   3.720  -2.943
  117    HA   PHE  17           HA       PHE  17  -2.052   2.157  -0.607
  118   1HB   PHE  17          1HB       PHE  17  -3.432   0.648  -2.024
  119   2HB   PHE  17          2HB       PHE  17  -3.885   2.331  -2.166
  120    HD1  PHE  17           HD1      PHE  17  -2.088  -0.463  -3.908
  121    HD2  PHE  17           HD2      PHE  17  -3.827   3.474  -4.291
  122    HE1  PHE  17           HE1      PHE  17  -1.812  -0.574  -6.364
  123    HE2  PHE  17           HE2      PHE  17  -3.552   3.345  -6.747
  124    HZ   PHE  17           HZ       PHE  17  -2.539   1.326  -7.790
  125    H    PHE  18           H        PHE  18   0.771   2.246  -1.857
  126    HA   PHE  18           HA       PHE  18   1.371  -0.234  -3.082
  127   1HB   PHE  18          1HB       PHE  18   3.623   0.291  -2.959
  128   2HB   PHE  18          2HB       PHE  18   2.831   1.843  -3.032
  129    HD1  PHE  18           HD1      PHE  18   4.472  -0.553  -0.661
  130    HD2  PHE  18           HD2      PHE  18   3.475   3.535  -1.561
  131    HE1  PHE  18           HE1      PHE  18   6.028   0.213   1.100
  132    HE2  PHE  18           HE2      PHE  18   5.137   4.299   0.111
  133    HZ   PHE  18           HZ       PHE  18   6.381   2.644   1.480
  134    HA   PRO  19           HA       PRO  19   2.629  -1.950   1.178
  135   1HB   PRO  19          1HB       PRO  19   1.225  -1.299   3.454
  136   2HB   PRO  19          2HB       PRO  19   2.731  -0.499   2.910
  137   1HG   PRO  19          1HG       PRO  19  -0.126   0.395   2.449
  138   2HG   PRO  19          2HG       PRO  19   1.264   1.372   3.029
  139   1HD   PRO  19          1HD       PRO  19   0.500   1.425   0.481
  140   2HD   PRO  19          2HD       PRO  19   2.235   1.430   0.884
  141    H    VAL  20           H        VAL  20  -0.569  -1.615  -0.112
  142    HA   VAL  20           HA       VAL  20  -1.978  -3.691   1.207
  143    HB   VAL  20           HB       VAL  20  -1.933  -2.545  -1.614
  144   1HG1  VAL  20          1HG1      VAL  20  -2.568  -4.779  -2.086
  145   2HG1  VAL  20          2HG1      VAL  20  -3.708  -4.819  -0.724
  146   3HG1  VAL  20          3HG1      VAL  20  -4.002  -3.776  -2.150
  147   1HG2  VAL  20          1HG2      VAL  20  -2.926  -1.175   0.218
  148   2HG2  VAL  20          2HG2      VAL  20  -4.135  -1.649  -0.980
  149   3HG2  VAL  20          3HG2      VAL  20  -4.059  -2.496   0.580
  150    H    HIS  21           H        HIS  21   0.080  -3.873  -1.713
  151    HA   HIS  21           HA       HIS  21  -0.185  -6.667  -2.096
  152   1HB   HIS  21          1HB       HIS  21   1.690  -4.474  -2.906
  153   2HB   HIS  21          2HB       HIS  21   2.097  -6.137  -3.347
  154    HD1  HIS  21           HD1      HIS  21  -1.620  -5.688  -3.714
  155    HD2  HIS  21           HD2      HIS  21   1.909  -4.741  -5.831
  156    HE1  HIS  21           HE1      HIS  21  -2.312  -5.206  -6.108
  157    H    LEU  22           H        LEU  22   2.099  -4.814  -0.179
  158    HA   LEU  22           HA       LEU  22   3.804  -7.063   0.502
  159   1HB   LEU  22          1HB       LEU  22   3.539  -4.242   1.645
  160   2HB   LEU  22          2HB       LEU  22   4.708  -5.418   2.183
  161    HG   LEU  22           HG       LEU  22   5.978  -4.151   0.777
  162   1HD1  LEU  22          1HD1      LEU  22   4.997  -6.237  -1.220
  163   2HD1  LEU  22          2HD1      LEU  22   6.573  -5.437  -1.175
  164   3HD1  LEU  22          3HD1      LEU  22   6.133  -6.567   0.115
  165   1HD2  LEU  22          1HD2      LEU  22   3.801  -4.043  -1.351
  166   2HD2  LEU  22          2HD2      LEU  22   4.177  -2.770  -0.171
  167   3HD2  LEU  22          3HD2      LEU  22   5.375  -3.238  -1.377
  168    H    LYS  23           H        LYS  23   1.257  -5.228   2.352
  169    HA   LYS  23           HA       LYS  23   1.410  -6.967   4.608
  170   1HB   LYS  23          1HB       LYS  23   0.327  -4.759   4.697
  171   2HB   LYS  23          2HB       LYS  23  -0.889  -5.277   3.531
  172   1HG   LYS  23          1HG       LYS  23  -1.820  -5.233   5.776
  173   2HG   LYS  23          2HG       LYS  23  -1.823  -6.871   5.138
  174   1HD   LYS  23          1HD       LYS  23   0.248  -7.355   6.479
  175   2HD   LYS  23          2HD       LYS  23   0.150  -5.741   7.184
  176   1HE   LYS  23          1HE       LYS  23  -2.003  -7.910   7.363
  177   2HE   LYS  23          2HE       LYS  23  -0.774  -7.628   8.595
  178   1HZ   LYS  23          1HZ       LYS  23  -2.848  -5.679   7.795
  179   2HZ   LYS  23          2HZ       LYS  23  -2.837  -6.570   9.172
  180   3HZ   LYS  23          3HZ       LYS  23  -1.690  -5.424   8.942
  181    H    ARG  24           H        ARG  24  -0.184  -7.302   1.487
  182    HA   ARG  24           HA       ARG  24  -1.813  -9.572   2.150
  183   1HB   ARG  24          1HB       ARG  24  -2.321  -8.336   0.208
  184   2HB   ARG  24          2HB       ARG  24  -0.707  -8.436  -0.430
  185   1HG   ARG  24          1HG       ARG  24  -2.645 -10.784  -0.224
  186   2HG   ARG  24          2HG       ARG  24  -2.425  -9.765  -1.636
  187   1HD   ARG  24          1HD       ARG  24  -0.599 -11.899  -0.575
  188   2HD   ARG  24          2HD       ARG  24  -1.212 -11.635  -2.201
  189    HE   ARG  24           HE       ARG  24   0.519  -9.476  -1.333
  190   1HH1  ARG  24          1HH1      ARG  24   0.667 -12.781  -2.608
  191   2HH1  ARG  24          2HH1      ARG  24   2.278 -12.635  -3.198
  192   1HH2  ARG  24          1HH2      ARG  24   2.580  -9.256  -2.018
  193   2HH2  ARG  24          2HH2      ARG  24   3.423 -10.506  -2.887
  194    H    LEU  25           H        LEU  25   1.647  -9.276   1.317
  195    HA   LEU  25           HA       LEU  25   2.049 -12.099   0.918
  196   1HB   LEU  25          1HB       LEU  25   3.616 -10.180   0.262
  197   2HB   LEU  25          2HB       LEU  25   4.069 -10.044   1.941
  198    HG   LEU  25           HG       LEU  25   5.658 -11.271   0.492
  199   1HD1  LEU  25          1HD1      LEU  25   4.679 -13.075   2.731
  200   2HD1  LEU  25          2HD1      LEU  25   6.302 -12.943   2.058
  201   3HD1  LEU  25          3HD1      LEU  25   5.629 -11.591   2.977
  202   1HD2  LEU  25          1HD2      LEU  25   3.996 -12.507  -0.897
  203   2HD2  LEU  25          2HD2      LEU  25   5.281 -13.530  -0.234
  204   3HD2  LEU  25          3HD2      LEU  25   3.673 -13.574   0.497
  205    H    LEU  26           H        LEU  26   2.345  -9.871   3.669
  206    HA   LEU  26           HA       LEU  26   3.091 -11.871   5.577
  207   1HB   LEU  26          1HB       LEU  26   3.431  -9.479   5.979
  208   2HB   LEU  26          2HB       LEU  26   1.685  -9.214   6.014
  209    HG   LEU  26           HG       LEU  26   1.486 -10.602   8.057
  210   1HD1  LEU  26          1HD1      LEU  26   4.537 -10.805   7.897
  211   2HD1  LEU  26          2HD1      LEU  26   3.550 -11.256   9.305
  212   3HD1  LEU  26          3HD1      LEU  26   3.379 -12.153   7.803
  213   1HD2  LEU  26          1HD2      LEU  26   3.596  -8.420   8.272
  214   2HD2  LEU  26          2HD2      LEU  26   1.835  -8.170   8.233
  215   3HD2  LEU  26          3HD2      LEU  26   2.578  -9.033   9.588
  216    H    ILE  27           H        ILE  27  -0.169 -10.675   4.651
  217    HA   ILE  27           HA       ILE  27  -1.627 -12.231   6.550
  218    HB   ILE  27           HB       ILE  27  -2.348 -11.072   3.836
  219   1HG1  ILE  27          1HG1      ILE  27  -3.338 -10.340   6.631
  220   2HG1  ILE  27          2HG1      ILE  27  -1.912  -9.605   5.924
  221   1HG2  ILE  27          1HG2      ILE  27  -4.229 -12.504   5.771
  222   2HG2  ILE  27          2HG2      ILE  27  -4.743 -11.573   4.347
  223   3HG2  ILE  27          3HG2      ILE  27  -3.807 -13.040   4.137
  224   1HD1  ILE  27          1HD1      ILE  27  -4.733  -9.400   4.796
  225   2HD1  ILE  27          2HD1      ILE  27  -3.807  -8.134   5.605
  226   3HD1  ILE  27          3HD1      ILE  27  -3.270  -8.744   4.025
  227    H    LEU  28           H        LEU  28  -0.574 -13.016   3.170
  228    HA   LEU  28           HA       LEU  28  -1.601 -15.685   3.191
  229   1HB   LEU  28          1HB       LEU  28  -0.830 -14.280   1.242
  230   2HB   LEU  28          2HB       LEU  28   0.822 -14.692   1.688
  231    HG   LEU  28           HG       LEU  28  -0.127 -16.041  -0.093
  232   1HD1  LEU  28          1HD1      LEU  28   1.595 -16.967   1.571
  233   2HD1  LEU  28          2HD1      LEU  28   0.265 -17.975   2.178
  234   3HD1  LEU  28          3HD1      LEU  28   0.748 -18.112   0.493
  235   1HD2  LEU  28          1HD2      LEU  28  -1.985 -17.374   1.934
  236   2HD2  LEU  28          2HD2      LEU  28  -2.524 -16.156   0.775
  237   3HD2  LEU  28          3HD2      LEU  28  -1.873 -17.715   0.212
  238    H    LEU  29           H        LEU  29   1.653 -14.507   4.066
  239    HA   LEU  29           HA       LEU  29   2.700 -17.005   4.825
  240   1HB   LEU  29          1HB       LEU  29   4.007 -14.953   4.611
  241   2HB   LEU  29          2HB       LEU  29   3.257 -14.256   6.042
  242    HG   LEU  29           HG       LEU  29   4.670 -16.913   6.342
  243   1HD1  LEU  29          1HD1      LEU  29   6.839 -15.779   6.630
  244   2HD1  LEU  29          2HD1      LEU  29   6.237 -15.606   4.980
  245   3HD1  LEU  29          3HD1      LEU  29   6.115 -14.238   6.113
  246   1HD2  LEU  29          1HD2      LEU  29   4.556 -14.408   8.108
  247   2HD2  LEU  29          2HD2      LEU  29   3.579 -15.870   8.341
  248   3HD2  LEU  29          3HD2      LEU  29   5.324 -15.954   8.530
  249    H    LEU  30           H        LEU  30   0.584 -14.879   6.759
  250    HA   LEU  30           HA       LEU  30   0.657 -16.588   9.097
  251   1HB   LEU  30          1HB       LEU  30   0.070 -14.176   9.144
  252   2HB   LEU  30          2HB       LEU  30  -1.367 -14.521   8.199
  253    HG   LEU  30           HG       LEU  30  -2.282 -15.928  10.030
  254   1HD1  LEU  30          1HD1      LEU  30  -0.229 -16.684  11.143
  255   2HD1  LEU  30          2HD1      LEU  30   0.195 -15.010  11.573
  256   3HD1  LEU  30          3HD1      LEU  30  -1.229 -15.802  12.291
  257   1HD2  LEU  30          1HD2      LEU  30  -2.849 -13.542   9.866
  258   2HD2  LEU  30          2HD2      LEU  30  -2.805 -14.081  11.551
  259   3HD2  LEU  30          3HD2      LEU  30  -1.453 -13.129  10.895
  260    H    LEU  31           H        LEU  31  -1.587 -16.204   6.347
  261    HA   LEU  31           HA       LEU  31  -2.831 -18.795   6.934
  262   1HB   LEU  31          1HB       LEU  31  -4.205 -16.989   7.945
  263   2HB   LEU  31          2HB       LEU  31  -4.277 -16.181   6.377
  264    HG   LEU  31           HG       LEU  31  -5.499 -18.155   5.438
  265   1HD1  LEU  31          1HD1      LEU  31  -6.492 -19.807   7.028
  266   2HD1  LEU  31          2HD1      LEU  31  -4.739 -19.957   6.924
  267   3HD1  LEU  31          3HD1      LEU  31  -5.472 -19.148   8.325
  268   1HD2  LEU  31          1HD2      LEU  31  -6.715 -16.197   6.309
  269   2HD2  LEU  31          2HD2      LEU  31  -7.630 -17.689   6.572
  270   3HD2  LEU  31          3HD2      LEU  31  -6.761 -16.934   7.928
  271   1HN   NH2  32          1HN       NH2  32  -1.337 -19.443   5.279
  272   2HN   NH2  32          2HN       NH2  32  -1.811 -19.230   3.608
  Start of MODEL    7
    1   1H    SER   1          1H        SER   1 -17.931   8.794  -0.007
    2   2H    SER   1          2H        SER   1 -17.734   8.297   1.578
    3   3H    SER   1          3H        SER   1 -16.436   8.766   0.690
    4    HA   SER   1           HA       SER   1 -18.035   6.422   0.020
    5   1HB   SER   1          1HB       SER   1 -15.907   5.997  -1.376
    6   2HB   SER   1          2HB       SER   1 -16.908   7.361  -1.895
    7    HG   SER   1           HG       SER   1 -14.373   7.321  -0.805
    8    HA   PRO   2           HA       PRO   2 -14.899   4.450   2.882
    9   1HB   PRO   2          1HB       PRO   2 -13.935   2.376   1.350
   10   2HB   PRO   2          2HB       PRO   2 -15.492   2.285   2.229
   11   1HG   PRO   2          1HG       PRO   2 -15.026   3.000  -0.686
   12   2HG   PRO   2          2HG       PRO   2 -16.190   1.812  -0.011
   13   1HD   PRO   2          1HD       PRO   2 -16.971   4.320  -0.667
   14   2HD   PRO   2          2HD       PRO   2 -17.611   3.520   0.791
   15    HA   PRO   3           HA       PRO   3 -11.324   6.418   0.981
   16   1HB   PRO   3          1HB       PRO   3  -9.165   5.087   2.006
   17   2HB   PRO   3          2HB       PRO   3 -10.203   6.142   3.016
   18   1HG   PRO   3          1HG       PRO   3 -10.344   3.124   2.713
   19   2HG   PRO   3          2HG       PRO   3 -10.333   4.081   4.231
   20   1HD   PRO   3          1HD       PRO   3 -12.641   3.172   3.105
   21   2HD   PRO   3          2HD       PRO   3 -12.573   4.763   3.921
   22    H    ASP   4           H        ASP   4  -9.684   6.068  -0.747
   23    HA   ASP   4           HA       ASP   4  -9.785   3.460  -2.085
   24   1HB   ASP   4          1HB       ASP   4  -9.885   4.588  -4.091
   25   2HB   ASP   4          2HB       ASP   4 -11.029   5.493  -3.111
   26    H    TYR   5           H        TYR   5  -7.681   4.560  -3.910
   27    HA   TYR   5           HA       TYR   5  -5.377   3.995  -2.127
   28   1HB   TYR   5          1HB       TYR   5  -4.296   3.227  -4.157
   29   2HB   TYR   5          2HB       TYR   5  -5.744   2.305  -3.797
   30    HD1  TYR   5           HD1      TYR   5  -7.588   2.238  -5.369
   31    HD2  TYR   5           HD2      TYR   5  -4.274   4.928  -6.029
   32    HE1  TYR   5           HE1      TYR   5  -8.400   2.668  -7.658
   33    HE2  TYR   5           HE2      TYR   5  -5.089   5.363  -8.328
   34    HH   TYR   5           HH       TYR   5  -8.128   4.027  -9.568
   35    H    SER   6           H        SER   6  -6.814   6.702  -3.562
   36    HA   SER   6           HA       SER   6  -4.519   7.977  -4.699
   37   1HB   SER   6          1HB       SER   6  -7.238   9.062  -3.876
   38   2HB   SER   6          2HB       SER   6  -6.045   9.882  -4.905
   39    HG   SER   6           HG       SER   6  -7.577   7.565  -5.376
   40    H    ALA   7           H        ALA   7  -3.590   7.200  -2.372
   41    HA   ALA   7           HA       ALA   7  -3.612   9.293  -0.327
   42   1HB   ALA   7          1HB       ALA   7  -1.882   7.853   0.740
   43   2HB   ALA   7          2HB       ALA   7  -3.293   6.904   0.254
   44   3HB   ALA   7          3HB       ALA   7  -1.817   6.857  -0.729
   45    H    ALA   8           H        ALA   8  -0.868   9.482   0.213
   46    HA   ALA   8           HA       ALA   8  -0.226  11.802  -1.057
   47   1HB   ALA   8          1HB       ALA   8   1.662   9.781   0.196
   48   2HB   ALA   8          2HB       ALA   8   2.096  11.468  -0.183
   49   3HB   ALA   8          3HB       ALA   8   0.828  11.121   1.005
   50    HA   PRO   9           HA       PRO   9   0.684  10.971  -5.153
   51   1HB   PRO   9          1HB       PRO   9   2.438  12.935  -5.936
   52   2HB   PRO   9          2HB       PRO   9   0.708  13.165  -5.587
   53   1HG   PRO   9          1HG       PRO   9   3.024  13.600  -3.673
   54   2HG   PRO   9          2HG       PRO   9   1.667  14.715  -4.044
   55   1HD   PRO   9          1HD       PRO   9   1.592  13.106  -1.878
   56   2HD   PRO   9          2HD       PRO   9   0.116  13.353  -2.863
   57    H    ARG  10           H        ARG  10   1.638   9.606  -6.214
   58    HA   ARG  10           HA       ARG  10   3.918   8.092  -5.349
   59   1HB   ARG  10          1HB       ARG  10   3.674   6.923  -7.575
   60   2HB   ARG  10          2HB       ARG  10   2.243   6.921  -6.552
   61   1HG   ARG  10          1HG       ARG  10   1.221   8.715  -7.918
   62   2HG   ARG  10          2HG       ARG  10   2.659   8.760  -8.955
   63   1HD   ARG  10          1HD       ARG  10   2.247   6.480  -9.706
   64   2HD   ARG  10          2HD       ARG  10   0.911   6.299  -8.547
   65    HE   ARG  10           HE       ARG  10   0.319   8.535 -10.116
   66   1HH1  ARG  10          1HH1      ARG  10   0.685   5.049 -10.663
   67   2HH1  ARG  10          2HH1      ARG  10  -0.471   4.969 -11.938
   68   1HH2  ARG  10          1HH2      ARG  10  -1.256   8.441 -11.822
   69   2HH2  ARG  10          2HH2      ARG  10  -1.591   6.958 -12.611
   70    H    GLY  11           H        GLY  11   6.019   8.165  -5.992
   71   1HA   GLY  11          1HA       GLY  11   7.966   8.999  -6.927
   72   2HA   GLY  11          2HA       GLY  11   6.990   9.655  -8.249
   73    H    ARG  12           H        ARG  12   5.820  10.790  -5.265
   74    HA   ARG  12           HA       ARG  12   7.571  13.190  -5.168
   75   1HB   ARG  12          1HB       ARG  12   4.553  13.061  -5.531
   76   2HB   ARG  12          2HB       ARG  12   5.361  14.488  -4.868
   77   1HG   ARG  12          1HG       ARG  12   6.787  14.593  -6.913
   78   2HG   ARG  12          2HG       ARG  12   5.858  13.242  -7.600
   79   1HD   ARG  12          1HD       ARG  12   3.941  14.526  -7.930
   80   2HD   ARG  12          2HD       ARG  12   4.367  15.671  -6.658
   81    HE   ARG  12           HE       ARG  12   5.151  17.008  -8.226
   82   1HH1  ARG  12          1HH1      ARG  12   5.979  13.765  -9.401
   83   2HH1  ARG  12          2HH1      ARG  12   6.744  14.314 -10.845
   84   1HH2  ARG  12          1HH2      ARG  12   6.170  17.760 -10.141
   85   2HH2  ARG  12          2HH2      ARG  12   6.850  16.658 -11.268
   86    H    PHE  13           H        PHE  13   8.315  11.614  -3.510
   87    HA   PHE  13           HA       PHE  13   8.413  10.452  -1.633
   88   1HB   PHE  13          1HB       PHE  13   7.484  13.189  -0.854
   89   2HB   PHE  13          2HB       PHE  13   8.227  12.075   0.308
   90    HD1  PHE  13           HD1      PHE  13  10.623  11.217  -0.240
   91    HD2  PHE  13           HD2      PHE  13   8.818  14.636  -2.164
   92    HE1  PHE  13           HE1      PHE  13  12.862  12.004  -0.961
   93    HE2  PHE  13           HE2      PHE  13  11.065  15.411  -2.880
   94    HZ   PHE  13           HZ       PHE  13  13.086  14.095  -2.283
   95    H    GLY  14           H        GLY  14   5.428  10.528  -2.741
   96   1HA   GLY  14          1HA       GLY  14   4.006   9.952  -0.271
   97   2HA   GLY  14          2HA       GLY  14   3.349  10.084  -1.906
   98    H    ILE  15           H        ILE  15   2.586   8.173  -0.090
   99    HA   ILE  15           HA       ILE  15   3.655   5.541  -0.997
  100    HB   ILE  15           HB       ILE  15   2.539   6.462   1.665
  101   1HG1  ILE  15          1HG1      ILE  15   4.966   5.293   2.219
  102   2HG1  ILE  15          2HG1      ILE  15   5.317   5.998   0.647
  103   1HG2  ILE  15          1HG2      ILE  15   1.726   4.216   1.223
  104   2HG2  ILE  15          2HG2      ILE  15   3.355   3.671   0.795
  105   3HG2  ILE  15          3HG2      ILE  15   2.979   4.163   2.460
  106   1HD1  ILE  15          1HD1      ILE  15   4.252   7.482   3.091
  107   2HD1  ILE  15          2HD1      ILE  15   5.919   7.509   2.484
  108   3HD1  ILE  15          3HD1      ILE  15   4.624   8.236   1.524
  109    HA   PRO  16           HA       PRO  16  -0.748   5.700  -2.345
  110   1HB   PRO  16          1HB       PRO  16  -0.490   4.364  -4.704
  111   2HB   PRO  16          2HB       PRO  16   0.028   6.065  -4.541
  112   1HG   PRO  16          1HG       PRO  16   1.770   3.580  -4.262
  113   2HG   PRO  16          2HG       PRO  16   2.038   4.981  -5.345
  114   1HD   PRO  16          1HD       PRO  16   3.226   4.847  -2.918
  115   2HD   PRO  16          2HD       PRO  16   2.589   6.402  -3.516
  116    H    PHE  17           H        PHE  17  -1.497   3.114  -3.548
  117    HA   PHE  17           HA       PHE  17  -1.806   1.531  -1.273
  118   1HB   PHE  17          1HB       PHE  17  -2.820  -0.097  -2.793
  119   2HB   PHE  17          2HB       PHE  17  -3.323   1.517  -3.189
  120    HD1  PHE  17           HD1      PHE  17  -2.646   2.575  -5.365
  121    HD2  PHE  17           HD2      PHE  17  -1.321  -1.401  -4.302
  122    HE1  PHE  17           HE1      PHE  17  -2.004   2.158  -7.701
  123    HE2  PHE  17           HE2      PHE  17  -0.656  -1.793  -6.646
  124    HZ   PHE  17           HZ       PHE  17  -0.997  -0.025  -8.357
  125    H    PHE  18           H        PHE  18   1.190   1.830  -1.996
  126    HA   PHE  18           HA       PHE  18   2.003  -0.824  -2.789
  127   1HB   PHE  18          1HB       PHE  18   4.207  -0.293  -2.543
  128   2HB   PHE  18          2HB       PHE  18   3.428   1.153  -3.128
  129    HD1  PHE  18           HD1      PHE  18   4.391   3.089  -2.419
  130    HD2  PHE  18           HD2      PHE  18   4.573  -0.352   0.177
  131    HE1  PHE  18           HE1      PHE  18   5.883   4.321  -0.882
  132    HE2  PHE  18           HE2      PHE  18   5.997   0.916   1.742
  133    HZ   PHE  18           HZ       PHE  18   6.667   3.249   1.219
  134    HA   PRO  19           HA       PRO  19   2.769  -1.796   1.758
  135   1HB   PRO  19          1HB       PRO  19   1.336  -0.669   3.796
  136   2HB   PRO  19          2HB       PRO  19   2.864   0.011   3.155
  137   1HG   PRO  19          1HG       PRO  19   0.030   0.825   2.475
  138   2HG   PRO  19          2HG       PRO  19   1.428   1.879   2.858
  139   1HD   PRO  19          1HD       PRO  19   0.607   1.308   0.329
  140   2HD   PRO  19          2HD       PRO  19   2.330   1.601   0.705
  141    H    VAL  20           H        VAL  20  -0.402  -1.314   0.368
  142    HA   VAL  20           HA       VAL  20  -1.901  -3.242   1.891
  143    HB   VAL  20           HB       VAL  20  -2.061  -2.125  -0.933
  144   1HG1  VAL  20          1HG1      VAL  20  -3.831  -4.296   0.152
  145   2HG1  VAL  20          2HG1      VAL  20  -4.189  -3.272  -1.281
  146   3HG1  VAL  20          3HG1      VAL  20  -2.805  -4.342  -1.292
  147   1HG2  VAL  20          1HG2      VAL  20  -4.131  -1.103  -0.131
  148   2HG2  VAL  20          2HG2      VAL  20  -3.945  -1.909   1.440
  149   3HG2  VAL  20          3HG2      VAL  20  -2.785  -0.663   0.926
  150    H    HIS  21           H        HIS  21  -0.069  -3.471  -1.168
  151    HA   HIS  21           HA       HIS  21  -0.509  -6.226  -1.619
  152   1HB   HIS  21          1HB       HIS  21   1.392  -4.098  -2.474
  153   2HB   HIS  21          2HB       HIS  21   1.715  -5.768  -2.987
  154    HD1  HIS  21           HD1      HIS  21  -1.861  -4.173  -3.046
  155    HD2  HIS  21           HD2      HIS  21   1.397  -5.250  -5.502
  156    HE1  HIS  21           HE1      HIS  21  -2.667  -3.973  -5.455
  157    H    LEU  22           H        LEU  22   2.085  -4.546   0.176
  158    HA   LEU  22           HA       LEU  22   3.571  -6.994   0.664
  159   1HB   LEU  22          1HB       LEU  22   3.775  -4.176   1.798
  160   2HB   LEU  22          2HB       LEU  22   4.785  -5.503   2.311
  161    HG   LEU  22           HG       LEU  22   6.156  -4.446   0.812
  162   1HD1  LEU  22          1HD1      LEU  22   6.484  -5.831  -1.137
  163   2HD1  LEU  22          2HD1      LEU  22   5.970  -6.879   0.193
  164   3HD1  LEU  22          3HD1      LEU  22   4.821  -6.423  -1.091
  165   1HD2  LEU  22          1HD2      LEU  22   3.885  -4.121  -1.181
  166   2HD2  LEU  22          2HD2      LEU  22   4.509  -2.867  -0.080
  167   3HD2  LEU  22          3HD2      LEU  22   5.545  -3.530  -1.349
  168    H    LYS  23           H        LYS  23   1.303  -4.986   2.727
  169    HA   LYS  23           HA       LYS  23   1.585  -6.816   4.928
  170   1HB   LYS  23          1HB       LYS  23   0.580  -4.527   5.104
  171   2HB   LYS  23          2HB       LYS  23  -0.857  -5.113   4.243
  172   1HG   LYS  23          1HG       LYS  23  -1.310  -6.734   6.033
  173   2HG   LYS  23          2HG       LYS  23   0.223  -6.342   6.827
  174   1HD   LYS  23          1HD       LYS  23  -0.599  -4.044   7.273
  175   2HD   LYS  23          2HD       LYS  23  -2.150  -4.457   6.499
  176   1HE   LYS  23          1HE       LYS  23  -2.505  -6.271   8.154
  177   2HE   LYS  23          2HE       LYS  23  -0.940  -5.922   8.896
  178   1HZ   LYS  23          1HZ       LYS  23  -3.250  -4.072   8.846
  179   2HZ   LYS  23          2HZ       LYS  23  -2.739  -4.942  10.139
  180   3HZ   LYS  23          3HZ       LYS  23  -1.787  -3.752   9.536
  181    H    ARG  24           H        ARG  24  -0.252  -6.929   1.935
  182    HA   ARG  24           HA       ARG  24  -1.873  -9.198   2.644
  183   1HB   ARG  24          1HB       ARG  24  -2.598  -7.801   0.875
  184   2HB   ARG  24          2HB       ARG  24  -1.087  -7.917   0.018
  185   1HG   ARG  24          1HG       ARG  24  -2.360 -10.575   0.317
  186   2HG   ARG  24          2HG       ARG  24  -3.421  -9.400  -0.426
  187   1HD   ARG  24          1HD       ARG  24  -2.151 -10.580  -2.146
  188   2HD   ARG  24          2HD       ARG  24  -1.794  -8.862  -2.144
  189    HE   ARG  24           HE       ARG  24   0.362  -9.224  -1.352
  190   1HH1  ARG  24          1HH1      ARG  24  -1.327 -12.343  -1.419
  191   2HH1  ARG  24          2HH1      ARG  24   0.083 -13.296  -1.671
  192   1HH2  ARG  24          1HH2      ARG  24   2.255 -10.461  -1.752
  193   2HH2  ARG  24          2HH2      ARG  24   2.197 -12.183  -1.842
  194    H    LEU  25           H        LEU  25   1.483  -8.865   1.546
  195    HA   LEU  25           HA       LEU  25   1.857 -11.668   0.931
  196   1HB   LEU  25          1HB       LEU  25   3.346  -9.638   0.313
  197   2HB   LEU  25          2HB       LEU  25   4.003  -9.750   1.938
  198    HG   LEU  25           HG       LEU  25   4.025 -12.076  -0.027
  199   1HD1  LEU  25          1HD1      LEU  25   6.201 -10.015   0.529
  200   2HD1  LEU  25          2HD1      LEU  25   6.360 -11.446  -0.505
  201   3HD1  LEU  25          3HD1      LEU  25   5.254 -10.149  -0.968
  202   1HD2  LEU  25          1HD2      LEU  25   5.570 -11.557   2.562
  203   2HD2  LEU  25          2HD2      LEU  25   4.432 -12.884   2.237
  204   3HD2  LEU  25          3HD2      LEU  25   5.971 -12.837   1.402
  205    H    LEU  26           H        LEU  26   2.386  -9.612   3.820
  206    HA   LEU  26           HA       LEU  26   3.208 -11.732   5.534
  207   1HB   LEU  26          1HB       LEU  26   3.550  -9.359   6.067
  208   2HB   LEU  26          2HB       LEU  26   1.807  -9.117   6.211
  209    HG   LEU  26           HG       LEU  26   1.733 -10.649   8.165
  210   1HD1  LEU  26          1HD1      LEU  26   3.875 -11.320   9.262
  211   2HD1  LEU  26          2HD1      LEU  26   3.644 -12.128   7.718
  212   3HD1  LEU  26          3HD1      LEU  26   4.773 -10.757   7.836
  213   1HD2  LEU  26          1HD2      LEU  26   3.792  -8.420   8.407
  214   2HD2  LEU  26          2HD2      LEU  26   2.024  -8.225   8.471
  215   3HD2  LEU  26          3HD2      LEU  26   2.859  -9.142   9.733
  216    H    ILE  27           H        ILE  27  -0.093 -10.447   4.918
  217    HA   ILE  27           HA       ILE  27  -1.432 -12.154   6.759
  218    HB   ILE  27           HB       ILE  27  -2.331 -10.788   4.201
  219   1HG1  ILE  27          1HG1      ILE  27  -3.130 -10.231   7.096
  220   2HG1  ILE  27          2HG1      ILE  27  -1.709  -9.496   6.380
  221   1HG2  ILE  27          1HG2      ILE  27  -3.807 -12.740   4.466
  222   2HG2  ILE  27          2HG2      ILE  27  -4.080 -12.336   6.168
  223   3HG2  ILE  27          3HG2      ILE  27  -4.692 -11.280   4.877
  224   1HD1  ILE  27          1HD1      ILE  27  -4.565  -9.104   5.404
  225   2HD1  ILE  27          2HD1      ILE  27  -3.545  -7.935   6.253
  226   3HD1  ILE  27          3HD1      ILE  27  -3.112  -8.449   4.611
  227    H    LEU  28           H        LEU  28  -0.548 -12.693   3.308
  228    HA   LEU  28           HA       LEU  28  -1.669 -15.357   3.155
  229   1HB   LEU  28          1HB       LEU  28  -0.966 -13.716   1.292
  230   2HB   LEU  28          2HB       LEU  28   0.684 -14.247   1.583
  231    HG   LEU  28           HG       LEU  28  -0.331 -15.299  -0.293
  232   1HD1  LEU  28          1HD1      LEU  28   1.290 -16.631   1.173
  233   2HD1  LEU  28          2HD1      LEU  28  -0.137 -17.578   1.656
  234   3HD1  LEU  28          3HD1      LEU  28   0.326 -17.515  -0.037
  235   1HD2  LEU  28          1HD2      LEU  28  -2.728 -15.275   0.508
  236   2HD2  LEU  28          2HD2      LEU  28  -2.239 -16.834  -0.197
  237   3HD2  LEU  28          3HD2      LEU  28  -2.353 -16.658   1.548
  238    H    LEU  29           H        LEU  29   1.615 -14.245   3.946
  239    HA   LEU  29           HA       LEU  29   2.847 -16.716   4.325
  240   1HB   LEU  29          1HB       LEU  29   3.988 -14.581   4.523
  241   2HB   LEU  29          2HB       LEU  29   3.190 -14.229   6.050
  242    HG   LEU  29           HG       LEU  29   4.805 -16.777   5.831
  243   1HD1  LEU  29          1HD1      LEU  29   5.999 -14.002   6.252
  244   2HD1  LEU  29          2HD1      LEU  29   6.854 -15.550   6.443
  245   3HD1  LEU  29          3HD1      LEU  29   6.268 -15.066   4.849
  246   1HD2  LEU  29          1HD2      LEU  29   5.347 -16.242   8.202
  247   2HD2  LEU  29          2HD2      LEU  29   4.395 -14.745   8.093
  248   3HD2  LEU  29          3HD2      LEU  29   3.609 -16.331   7.973
  249    H    LEU  30           H        LEU  30   0.609 -15.097   6.586
  250    HA   LEU  30           HA       LEU  30   0.690 -17.320   8.491
  251   1HB   LEU  30          1HB       LEU  30   0.198 -15.053   9.263
  252   2HB   LEU  30          2HB       LEU  30  -1.195 -14.968   8.190
  253    HG   LEU  30           HG       LEU  30  -2.302 -16.812   9.462
  254   1HD1  LEU  30          1HD1      LEU  30   0.120 -16.560  11.313
  255   2HD1  LEU  30          2HD1      LEU  30  -1.379 -17.438  11.698
  256   3HD1  LEU  30          3HD1      LEU  30  -0.356 -17.998  10.379
  257   1HD2  LEU  30          1HD2      LEU  30  -2.743 -14.455  10.003
  258   2HD2  LEU  30          2HD2      LEU  30  -2.819 -15.467  11.452
  259   3HD2  LEU  30          3HD2      LEU  30  -1.389 -14.452  11.157
  260    H    LEU  31           H        LEU  31  -1.752 -16.067   6.160
  261    HA   LEU  31           HA       LEU  31  -3.456 -18.387   6.389
  262   1HB   LEU  31          1HB       LEU  31  -4.137 -15.922   6.202
  263   2HB   LEU  31          2HB       LEU  31  -3.631 -16.003   4.515
  264    HG   LEU  31           HG       LEU  31  -5.346 -17.800   4.138
  265   1HD1  LEU  31          1HD1      LEU  31  -7.140 -18.097   5.854
  266   2HD1  LEU  31          2HD1      LEU  31  -5.595 -18.742   6.390
  267   3HD1  LEU  31          3HD1      LEU  31  -6.158 -17.177   7.015
  268   1HD2  LEU  31          1HD2      LEU  31  -7.284 -16.291   4.224
  269   2HD2  LEU  31          2HD2      LEU  31  -6.415 -15.214   5.341
  270   3HD2  LEU  31          3HD2      LEU  31  -5.839 -15.434   3.671
  271   1HN   NH2  32          1HN       NH2  32  -0.942 -19.169   5.525
  272   2HN   NH2  32          2HN       NH2  32  -1.027 -19.730   3.861
  Start of MODEL    8
    1   1H    SER   1          1H        SER   1  17.265  11.633   8.256
    2   2H    SER   1          2H        SER   1  17.362  11.801   9.920
    3   3H    SER   1          3H        SER   1  17.261  10.310   9.240
    4    HA   SER   1           HA       SER   1  15.126  12.264   8.994
    5   1HB   SER   1          1HB       SER   1  13.934   9.949   8.532
    6   2HB   SER   1          2HB       SER   1  14.913  10.691   7.264
    7    HG   SER   1           HG       SER   1  15.119   8.319   8.171
    8    HA   PRO   2           HA       PRO   2  13.795  10.446  13.130
    9   1HB   PRO   2          1HB       PRO   2  11.383   9.214  12.446
   10   2HB   PRO   2          2HB       PRO   2  11.551  10.940  12.884
   11   1HG   PRO   2          1HG       PRO   2  11.497   9.699  10.113
   12   2HG   PRO   2          2HG       PRO   2  10.554  11.102  10.721
   13   1HD   PRO   2          1HD       PRO   2  12.792  11.512   9.303
   14   2HD   PRO   2          2HD       PRO   2  12.482  12.489  10.755
   15    HA   PRO   3           HA       PRO   3  15.274   6.321  12.401
   16   1HB   PRO   3          1HB       PRO   3  14.139   4.693  14.294
   17   2HB   PRO   3          2HB       PRO   3  15.242   6.036  14.686
   18   1HG   PRO   3          1HG       PRO   3  12.204   6.095  14.668
   19   2HG   PRO   3          2HG       PRO   3  13.309   6.586  15.997
   20   1HD   PRO   3          1HD       PRO   3  12.305   8.410  14.278
   21   2HD   PRO   3          2HD       PRO   3  14.003   8.528  14.823
   22    H    ASP   4           H        ASP   4  13.443   6.912  10.436
   23    HA   ASP   4           HA       ASP   4  11.492   4.811   9.965
   24   1HB   ASP   4          1HB       ASP   4  10.928   6.016   8.052
   25   2HB   ASP   4          2HB       ASP   4  11.283   7.255   9.243
   26    H    TYR   5           H        TYR   5  14.313   3.955  10.402
   27    HA   TYR   5           HA       TYR   5  15.322   3.173   7.778
   28   1HB   TYR   5          1HB       TYR   5  17.107   2.150   8.904
   29   2HB   TYR   5          2HB       TYR   5  16.833   3.675   9.714
   30    HD1  TYR   5           HD1      TYR   5  16.790   0.008  10.005
   31    HD2  TYR   5           HD2      TYR   5  15.885   3.702  12.052
   32    HE1  TYR   5           HE1      TYR   5  16.658  -1.211  12.155
   33    HE2  TYR   5           HE2      TYR   5  15.738   2.489  14.190
   34    HH   TYR   5           HH       TYR   5  16.013   0.426  15.263
   35    H    SER   6           H        SER   6  13.618   1.628  10.488
   36    HA   SER   6           HA       SER   6  13.663  -0.978   9.547
   37   1HB   SER   6          1HB       SER   6  11.351   0.173  11.142
   38   2HB   SER   6          2HB       SER   6  12.089  -1.436  11.263
   39    HG   SER   6           HG       SER   6  12.931  -0.278  12.943
   40    H    ALA   7           H        ALA   7  11.576   1.621   8.621
   41    HA   ALA   7           HA       ALA   7  10.582   0.254   6.306
   42   1HB   ALA   7          1HB       ALA   7   8.593   1.128   8.467
   43   2HB   ALA   7          2HB       ALA   7   8.166   0.686   6.800
   44   3HB   ALA   7          3HB       ALA   7   8.852  -0.535   7.893
   45    H    ALA   8           H        ALA   8  11.073   1.886   4.915
   46    HA   ALA   8           HA       ALA   8  11.134   4.685   5.878
   47   1HB   ALA   8          1HB       ALA   8  12.455   3.273   3.537
   48   2HB   ALA   8          2HB       ALA   8  12.593   4.996   3.939
   49   3HB   ALA   8          3HB       ALA   8  13.220   3.776   5.068
   50    HA   PRO   9           HA       PRO   9   7.665   5.023   2.846
   51   1HB   PRO   9          1HB       PRO   9   6.156   6.797   4.117
   52   2HB   PRO   9          2HB       PRO   9   6.154   5.090   4.658
   53   1HG   PRO   9          1HG       PRO   9   7.588   7.404   5.960
   54   2HG   PRO   9          2HG       PRO   9   6.704   6.049   6.721
   55   1HD   PRO   9          1HD       PRO   9   9.468   6.117   6.330
   56   2HD   PRO   9          2HD       PRO   9   8.510   4.614   6.476
   57    H    ARG  10           H        ARG  10   8.857   6.159   1.233
   58    HA   ARG  10           HA       ARG  10   8.887   8.953   1.170
   59   1HB   ARG  10          1HB       ARG  10  11.345   9.298   1.341
   60   2HB   ARG  10          2HB       ARG  10  10.661   8.845   2.871
   61   1HG   ARG  10          1HG       ARG  10  11.488   6.443   2.367
   62   2HG   ARG  10          2HG       ARG  10  12.386   7.162   1.016
   63   1HD   ARG  10          1HD       ARG  10  13.419   8.769   2.716
   64   2HD   ARG  10          2HD       ARG  10  12.624   7.828   3.980
   65    HE   ARG  10           HE       ARG  10  14.481   6.524   2.045
   66   1HH1  ARG  10          1HH1      ARG  10  13.673   7.227   5.478
   67   2HH1  ARG  10          2HH1      ARG  10  14.987   6.452   6.130
   68   1HH2  ARG  10          1HH2      ARG  10  16.282   5.331   2.948
   69   2HH2  ARG  10          2HH2      ARG  10  16.473   5.281   4.663
   70    H    GLY  11           H        GLY  11  10.623   9.629  -0.608
   71   1HA   GLY  11          1HA       GLY  11  11.386   9.539  -2.720
   72   2HA   GLY  11          2HA       GLY  11  11.615   7.799  -2.499
   73    H    ARG  12           H        ARG  12   8.381   8.368  -2.087
   74    HA   ARG  12           HA       ARG  12   7.662   8.318  -4.981
   75   1HB   ARG  12          1HB       ARG  12   6.917   6.227  -2.875
   76   2HB   ARG  12          2HB       ARG  12   6.101   6.405  -4.431
   77   1HG   ARG  12          1HG       ARG  12   8.506   6.161  -5.475
   78   2HG   ARG  12          2HG       ARG  12   8.952   5.538  -3.883
   79   1HD   ARG  12          1HD       ARG  12   8.446   3.659  -5.247
   80   2HD   ARG  12          2HD       ARG  12   7.078   3.835  -4.129
   81    HE   ARG  12           HE       ARG  12   6.475   5.311  -6.438
   82   1HH1  ARG  12          1HH1      ARG  12   7.036   1.907  -5.666
   83   2HH1  ARG  12          2HH1      ARG  12   6.085   1.277  -6.961
   84   1HH2  ARG  12          1HH2      ARG  12   5.200   4.504  -8.203
   85   2HH2  ARG  12          2HH2      ARG  12   5.007   2.816  -8.446
   86    H    PHE  13           H        PHE  13   7.223  10.578  -4.188
   87    HA   PHE  13           HA       PHE  13   6.057  12.228  -3.121
   88   1HB   PHE  13          1HB       PHE  13   4.077  10.611  -4.703
   89   2HB   PHE  13          2HB       PHE  13   3.730  12.235  -4.091
   90    HD1  PHE  13           HD1      PHE  13   5.337  10.310  -6.729
   91    HD2  PHE  13           HD2      PHE  13   5.193  14.191  -4.839
   92    HE1  PHE  13           HE1      PHE  13   6.491  11.318  -8.686
   93    HE2  PHE  13           HE2      PHE  13   6.342  15.180  -6.798
   94    HZ   PHE  13           HZ       PHE  13   6.995  13.749  -8.718
   95    H    GLY  14           H        GLY  14   6.597  11.149  -0.967
   96   1HA   GLY  14          1HA       GLY  14   5.823  11.163   1.229
   97   2HA   GLY  14          2HA       GLY  14   4.185  11.374   0.621
   98    H    ILE  15           H        ILE  15   2.969   9.821   1.203
   99    HA   ILE  15           HA       ILE  15   3.841   6.953   1.506
  100    HB   ILE  15           HB       ILE  15   1.888   8.515   3.230
  101   1HG1  ILE  15          1HG1      ILE  15   3.949   7.956   4.978
  102   2HG1  ILE  15          2HG1      ILE  15   4.836   8.398   3.521
  103   1HG2  ILE  15          1HG2      ILE  15   1.870   6.662   4.699
  104   2HG2  ILE  15          2HG2      ILE  15   1.626   6.015   3.072
  105   3HG2  ILE  15          3HG2      ILE  15   3.212   5.875   3.862
  106   1HD1  ILE  15          1HD1      ILE  15   4.462  10.344   4.957
  107   2HD1  ILE  15          2HD1      ILE  15   3.574  10.557   3.438
  108   3HD1  ILE  15          3HD1      ILE  15   2.708  10.077   4.915
  109    HA   PRO  16           HA       PRO  16   0.217   7.119  -1.276
  110   1HB   PRO  16          1HB       PRO  16   1.166   5.416  -3.213
  111   2HB   PRO  16          2HB       PRO  16   1.556   7.159  -3.179
  112   1HG   PRO  16          1HG       PRO  16   3.239   4.854  -2.199
  113   2HG   PRO  16          2HG       PRO  16   3.747   6.257  -3.179
  114   1HD   PRO  16          1HD       PRO  16   4.100   6.112  -0.445
  115   2HD   PRO  16          2HD       PRO  16   3.823   7.658  -1.258
  116    H    PHE  17           H        PHE  17  -0.772   4.786  -2.132
  117    HA   PHE  17           HA       PHE  17  -1.366   3.180   0.129
  118   1HB   PHE  17          1HB       PHE  17  -2.572   1.800  -1.546
  119   2HB   PHE  17          2HB       PHE  17  -2.920   3.507  -1.681
  120    HD1  PHE  17           HD1      PHE  17  -2.411   4.759  -3.697
  121    HD2  PHE  17           HD2      PHE  17  -1.099   0.658  -3.288
  122    HE1  PHE  17           HE1      PHE  17  -1.788   4.707  -6.090
  123    HE2  PHE  17           HE2      PHE  17  -0.481   0.623  -5.673
  124    HZ   PHE  17           HZ       PHE  17  -0.820   2.646  -7.087
  125    H    PHE  18           H        PHE  18   1.606   3.219  -0.593
  126    HA   PHE  18           HA       PHE  18   2.469   0.933  -1.924
  127   1HB   PHE  18          1HB       PHE  18   4.634   1.459  -1.192
  128   2HB   PHE  18          2HB       PHE  18   3.809   2.992  -1.151
  129    HD1  PHE  18           HD1      PHE  18   5.100   0.234   0.959
  130    HD2  PHE  18           HD2      PHE  18   3.716   4.326   0.817
  131    HE1  PHE  18           HE1      PHE  18   6.006   0.619   3.228
  132    HE2  PHE  18           HE2      PHE  18   4.720   4.717   3.024
  133    HZ   PHE  18           HZ       PHE  18   5.821   2.856   4.276
  134    HA   PRO  19           HA       PRO  19   2.797  -1.472   2.158
  135   1HB   PRO  19          1HB       PRO  19   1.075  -1.129   4.251
  136   2HB   PRO  19          2HB       PRO  19   2.596  -0.205   4.056
  137   1HG   PRO  19          1HG       PRO  19  -0.202   0.631   3.215
  138   2HG   PRO  19          2HG       PRO  19   0.978   1.559   4.202
  139   1HD   PRO  19          1HD       PRO  19   0.751   2.003   1.589
  140   2HD   PRO  19          2HD       PRO  19   2.358   1.956   2.346
  141    H    VAL  20           H        VAL  20  -0.092  -0.847   0.378
  142    HA   VAL  20           HA       VAL  20  -1.779  -2.994   1.143
  143    HB   VAL  20           HB       VAL  20  -1.128  -1.502  -1.445
  144   1HG1  VAL  20          1HG1      VAL  20  -3.099  -2.545  -2.537
  145   2HG1  VAL  20          2HG1      VAL  20  -1.712  -3.588  -2.379
  146   3HG1  VAL  20          3HG1      VAL  20  -3.074  -3.805  -1.256
  147   1HG2  VAL  20          1HG2      VAL  20  -2.457  -0.346   0.329
  148   2HG2  VAL  20          2HG2      VAL  20  -3.381  -0.578  -1.158
  149   3HG2  VAL  20          3HG2      VAL  20  -3.675  -1.639   0.235
  150    H    HIS  21           H        HIS  21   0.645  -2.977  -1.427
  151    HA   HIS  21           HA       HIS  21   0.399  -5.657  -2.171
  152   1HB   HIS  21          1HB       HIS  21   2.632  -3.644  -2.203
  153   2HB   HIS  21          2HB       HIS  21   2.718  -5.129  -3.161
  154    HD1  HIS  21           HD1      HIS  21   0.446  -5.072  -5.121
  155    HD2  HIS  21           HD2      HIS  21   1.772  -1.552  -3.201
  156    HE1  HIS  21           HE1      HIS  21  -0.516  -3.117  -6.433
  157    H    LEU  22           H        LEU  22   2.597  -4.155   0.133
  158    HA   LEU  22           HA       LEU  22   4.014  -6.549   0.858
  159   1HB   LEU  22          1HB       LEU  22   3.691  -3.876   2.287
  160   2HB   LEU  22          2HB       LEU  22   4.764  -5.158   2.789
  161    HG   LEU  22           HG       LEU  22   6.263  -3.842   1.697
  162   1HD1  LEU  22          1HD1      LEU  22   6.907  -4.774  -0.449
  163   2HD1  LEU  22          2HD1      LEU  22   6.317  -6.087   0.582
  164   3HD1  LEU  22          3HD1      LEU  22   5.291  -5.439  -0.720
  165   1HD2  LEU  22          1HD2      LEU  22   4.638  -2.159   0.936
  166   2HD2  LEU  22          2HD2      LEU  22   5.881  -2.490  -0.274
  167   3HD2  LEU  22          3HD2      LEU  22   4.255  -3.156  -0.484
  168    H    LYS  23           H        LYS  23   1.236  -4.808   2.485
  169    HA   LYS  23           HA       LYS  23   1.166  -6.764   4.589
  170   1HB   LYS  23          1HB       LYS  23   0.065  -4.462   4.631
  171   2HB   LYS  23          2HB       LYS  23  -1.216  -5.131   3.597
  172   1HG   LYS  23          1HG       LYS  23  -1.639  -6.885   5.364
  173   2HG   LYS  23          2HG       LYS  23  -0.315  -6.223   6.315
  174   1HD   LYS  23          1HD       LYS  23  -2.268  -5.461   7.334
  175   2HD   LYS  23          2HD       LYS  23  -1.620  -4.051   6.480
  176   1HE   LYS  23          1HE       LYS  23  -3.260  -4.344   4.678
  177   2HE   LYS  23          2HE       LYS  23  -3.786  -5.893   5.356
  178   1HZ   LYS  23          1HZ       LYS  23  -5.323  -4.139   5.923
  179   2HZ   LYS  23          2HZ       LYS  23  -4.621  -4.715   7.286
  180   3HZ   LYS  23          3HZ       LYS  23  -4.148  -3.266   6.670
  181    H    ARG  24           H        ARG  24  -0.105  -6.680   1.293
  182    HA   ARG  24           HA       ARG  24  -1.730  -9.040   1.582
  183   1HB   ARG  24          1HB       ARG  24  -2.127  -7.516  -0.230
  184   2HB   ARG  24          2HB       ARG  24  -0.500  -7.687  -0.841
  185   1HG   ARG  24          1HG       ARG  24  -1.935 -10.286  -0.746
  186   2HG   ARG  24          2HG       ARG  24  -2.782  -9.064  -1.671
  187   1HD   ARG  24          1HD       ARG  24  -1.367 -10.268  -3.189
  188   2HD   ARG  24          2HD       ARG  24  -0.783  -8.621  -3.038
  189    HE   ARG  24           HE       ARG  24   1.157  -9.331  -1.988
  190   1HH1  ARG  24          1HH1      ARG  24  -1.024 -12.122  -2.209
  191   2HH1  ARG  24          2HH1      ARG  24   0.217 -13.310  -2.281
  192   1HH2  ARG  24          1HH2      ARG  24   2.863 -10.923  -2.143
  193   2HH2  ARG  24          2HH2      ARG  24   2.485 -12.602  -2.177
  194    H    LEU  25           H        LEU  25   1.729  -8.545   0.944
  195    HA   LEU  25           HA       LEU  25   2.301 -11.314   0.363
  196   1HB   LEU  25          1HB       LEU  25   3.770  -9.253  -0.059
  197   2HB   LEU  25          2HB       LEU  25   4.204  -9.300   1.641
  198    HG   LEU  25           HG       LEU  25   4.583 -11.702  -0.188
  199   1HD1  LEU  25          1HD1      LEU  25   6.913 -10.955  -0.494
  200   2HD1  LEU  25          2HD1      LEU  25   5.779  -9.774  -1.158
  201   3HD1  LEU  25          3HD1      LEU  25   6.567  -9.466   0.406
  202   1HD2  LEU  25          1HD2      LEU  25   4.814 -12.305   2.178
  203   2HD2  LEU  25          2HD2      LEU  25   6.411 -12.254   1.461
  204   3HD2  LEU  25          3HD2      LEU  25   5.866 -10.904   2.474
  205    H    LEU  26           H        LEU  26   2.438  -9.341   3.329
  206    HA   LEU  26           HA       LEU  26   3.170 -11.427   5.089
  207   1HB   LEU  26          1HB       LEU  26   3.283  -9.054   5.624
  208   2HB   LEU  26          2HB       LEU  26   1.528  -8.913   5.651
  209    HG   LEU  26           HG       LEU  26   2.820 -10.952   7.472
  210   1HD1  LEU  26          1HD1      LEU  26   3.205  -9.230   9.198
  211   2HD1  LEU  26          2HD1      LEU  26   4.219  -8.957   7.782
  212   3HD1  LEU  26          3HD1      LEU  26   2.772  -7.953   8.038
  213   1HD2  LEU  26          1HD2      LEU  26   0.347 -10.791   7.509
  214   2HD2  LEU  26          2HD2      LEU  26   1.013 -10.220   9.025
  215   3HD2  LEU  26          3HD2      LEU  26   0.449  -9.042   7.822
  216    H    ILE  27           H        ILE  27  -0.143 -10.291   4.283
  217    HA   ILE  27           HA       ILE  27  -1.499 -12.152   5.940
  218    HB   ILE  27           HB       ILE  27  -2.321 -10.618   3.451
  219   1HG1  ILE  27          1HG1      ILE  27  -3.232 -10.362   6.361
  220   2HG1  ILE  27          2HG1      ILE  27  -1.856  -9.479   5.727
  221   1HG2  ILE  27          1HG2      ILE  27  -4.692 -11.247   3.934
  222   2HG2  ILE  27          2HG2      ILE  27  -3.736 -12.647   3.483
  223   3HG2  ILE  27          3HG2      ILE  27  -4.123 -12.371   5.188
  224   1HD1  ILE  27          1HD1      ILE  27  -3.791  -8.040   5.719
  225   2HD1  ILE  27          2HD1      ILE  27  -3.319  -8.379   4.038
  226   3HD1  ILE  27          3HD1      ILE  27  -4.730  -9.190   4.763
  227    H    LEU  28           H        LEU  28  -0.404 -12.483   2.496
  228    HA   LEU  28           HA       LEU  28  -1.424 -15.160   2.204
  229   1HB   LEU  28          1HB       LEU  28  -0.716 -13.545   0.418
  230   2HB   LEU  28          2HB       LEU  28   0.957 -13.941   0.810
  231    HG   LEU  28           HG       LEU  28   0.034 -15.127  -1.088
  232   1HD1  LEU  28          1HD1      LEU  28   1.795 -16.170   0.477
  233   2HD1  LEU  28          2HD1      LEU  28   0.502 -17.293   0.939
  234   3HD1  LEU  28          3HD1      LEU  28   0.995 -17.208  -0.743
  235   1HD2  LEU  28          1HD2      LEU  28  -1.755 -16.736   0.793
  236   2HD2  LEU  28          2HD2      LEU  28  -2.356 -15.421  -0.213
  237   3HD2  LEU  28          3HD2      LEU  28  -1.659 -16.888  -0.952
  238    H    LEU  29           H        LEU  29   1.810 -14.011   3.206
  239    HA   LEU  29           HA       LEU  29   2.907 -16.580   3.643
  240   1HB   LEU  29          1HB       LEU  29   4.198 -14.519   3.631
  241   2HB   LEU  29          2HB       LEU  29   3.456 -13.966   5.127
  242    HG   LEU  29           HG       LEU  29   4.901 -16.627   5.145
  243   1HD1  LEU  29          1HD1      LEU  29   7.049 -15.488   5.560
  244   2HD1  LEU  29          2HD1      LEU  29   6.442 -15.151   3.937
  245   3HD1  LEU  29          3HD1      LEU  29   6.295 -13.916   5.211
  246   1HD2  LEU  29          1HD2      LEU  29   3.808 -15.866   7.250
  247   2HD2  LEU  29          2HD2      LEU  29   5.555 -15.874   7.428
  248   3HD2  LEU  29          3HD2      LEU  29   4.701 -14.335   7.175
  249    H    LEU  30           H        LEU  30   0.846 -14.670   5.834
  250    HA   LEU  30           HA       LEU  30   0.899 -16.588   7.984
  251   1HB   LEU  30          1HB       LEU  30   0.293 -14.196   8.224
  252   2HB   LEU  30          2HB       LEU  30  -1.133 -14.467   7.240
  253    HG   LEU  30           HG       LEU  30  -2.067 -16.010   8.947
  254   1HD1  LEU  30          1HD1      LEU  30  -0.029 -16.863  10.011
  255   2HD1  LEU  30          2HD1      LEU  30   0.405 -15.232  10.572
  256   3HD1  LEU  30          3HD1      LEU  30  -1.029 -16.064  11.220
  257   1HD2  LEU  30          1HD2      LEU  30  -2.589 -14.281  10.609
  258   2HD2  LEU  30          2HD2      LEU  30  -1.232 -13.289  10.031
  259   3HD2  LEU  30          3HD2      LEU  30  -2.624 -13.615   8.969
  260    H    LEU  31           H        LEU  31  -1.349 -15.999   5.269
  261    HA   LEU  31           HA       LEU  31  -2.582 -18.634   5.650
  262   1HB   LEU  31          1HB       LEU  31  -3.964 -16.871   6.740
  263   2HB   LEU  31          2HB       LEU  31  -4.019 -15.994   5.209
  264    HG   LEU  31           HG       LEU  31  -5.223 -17.925   4.167
  265   1HD1  LEU  31          1HD1      LEU  31  -5.215 -19.054   7.004
  266   2HD1  LEU  31          2HD1      LEU  31  -6.230 -19.651   5.673
  267   3HD1  LEU  31          3HD1      LEU  31  -4.477 -19.795   5.569
  268   1HD2  LEU  31          1HD2      LEU  31  -6.517 -16.824   6.697
  269   2HD2  LEU  31          2HD2      LEU  31  -6.459 -16.016   5.113
  270   3HD2  LEU  31          3HD2      LEU  31  -7.369 -17.522   5.301
  271   1HN   NH2  32          1HN       NH2  32  -1.038 -19.174   4.008
  272   2HN   NH2  32          2HN       NH2  32  -1.474 -18.876   2.339
  Start of MODEL    9
    1   1H    SER   1          1H        SER   1 -23.014  10.280  -2.150
    2   2H    SER   1          2H        SER   1 -21.663  11.054  -2.668
    3   3H    SER   1          3H        SER   1 -22.550  10.185  -3.755
    4    HA   SER   1           HA       SER   1 -21.909   8.150  -2.740
    5   1HB   SER   1          1HB       SER   1 -19.340   8.474  -2.894
    6   2HB   SER   1          2HB       SER   1 -20.281   8.987  -4.299
    7    HG   SER   1           HG       SER   1 -18.877  10.487  -2.430
    8    HA   PRO   2           HA       PRO   2 -20.288   8.697   1.635
    9   1HB   PRO   2          1HB       PRO   2 -17.972   7.199   1.608
   10   2HB   PRO   2          2HB       PRO   2 -19.596   6.486   1.851
   11   1HG   PRO   2          1HG       PRO   2 -18.008   6.689  -0.730
   12   2HG   PRO   2          2HG       PRO   2 -18.821   5.244  -0.044
   13   1HD   PRO   2          1HD       PRO   2 -20.024   6.727  -1.957
   14   2HD   PRO   2          2HD       PRO   2 -20.968   6.080  -0.592
   15    HA   PRO   3           HA       PRO   3 -17.254  11.828   0.490
   16   1HB   PRO   3          1HB       PRO   3 -15.867  12.281   2.790
   17   2HB   PRO   3          2HB       PRO   3 -17.609  12.668   2.654
   18   1HG   PRO   3          1HG       PRO   3 -16.344  10.163   3.823
   19   2HG   PRO   3          2HG       PRO   3 -17.590  11.220   4.568
   20   1HD   PRO   3          1HD       PRO   3 -18.232   8.934   3.214
   21   2HD   PRO   3          2HD       PRO   3 -19.279  10.385   3.150
   22    H    ASP   4           H        ASP   4 -14.758  12.261   0.606
   23    HA   ASP   4           HA       ASP   4 -13.228   9.815   0.075
   24   1HB   ASP   4          1HB       ASP   4 -11.828  11.233  -1.256
   25   2HB   ASP   4          2HB       ASP   4 -13.482  11.601  -1.737
   26    H    TYR   5           H        TYR   5 -10.646  11.115   0.583
   27    HA   TYR   5           HA       TYR   5 -10.684  12.256   3.170
   28   1HB   TYR   5          1HB       TYR   5  -8.949  10.661   3.816
   29   2HB   TYR   5          2HB       TYR   5 -10.540   9.913   3.778
   30    HD1  TYR   5           HD1      TYR   5  -7.100   9.822   2.585
   31    HD2  TYR   5           HD2      TYR   5 -11.080   8.357   1.833
   32    HE1  TYR   5           HE1      TYR   5  -6.162   8.026   1.137
   33    HE2  TYR   5           HE2      TYR   5 -10.171   6.583   0.379
   34    HH   TYR   5           HH       TYR   5  -8.261   5.673  -0.541
   35    H    SER   6           H        SER   6  -8.580  13.228   3.463
   36    HA   SER   6           HA       SER   6  -7.396  14.414   1.189
   37   1HB   SER   6          1HB       SER   6  -6.443  14.493   4.077
   38   2HB   SER   6          2HB       SER   6  -6.229  15.725   2.823
   39    HG   SER   6           HG       SER   6  -8.589  15.911   2.852
   40    H    ALA   7           H        ALA   7  -7.015  12.162   0.507
   41    HA   ALA   7           HA       ALA   7  -5.131  10.347   1.164
   42   1HB   ALA   7          1HB       ALA   7  -4.853   9.804  -1.232
   43   2HB   ALA   7          2HB       ALA   7  -6.549  10.167  -0.848
   44   3HB   ALA   7          3HB       ALA   7  -5.548  11.380  -1.674
   45    H    ALA   8           H        ALA   8  -3.069  10.263   1.567
   46    HA   ALA   8           HA       ALA   8  -1.310  12.327   1.802
   47   1HB   ALA   8          1HB       ALA   8  -0.712   9.371   1.264
   48   2HB   ALA   8          2HB       ALA   8   0.420  10.502   2.006
   49   3HB   ALA   8          3HB       ALA   8  -1.079  10.093   2.850
   50    HA   PRO   9           HA       PRO   9   0.511  13.280  -2.152
   51   1HB   PRO   9          1HB       PRO   9   3.271  13.184  -1.675
   52   2HB   PRO   9          2HB       PRO   9   2.198  14.568  -1.314
   53   1HG   PRO   9          1HG       PRO   9   3.127  12.375   0.553
   54   2HG   PRO   9          2HG       PRO   9   3.049  14.140   0.861
   55   1HD   PRO   9          1HD       PRO   9   1.119  12.511   1.780
   56   2HD   PRO   9          2HD       PRO   9   0.676  14.083   1.064
   57    H    ARG  10           H        ARG  10   1.420  12.233  -3.982
   58    HA   ARG  10           HA       ARG  10   2.750   9.772  -3.893
   59   1HB   ARG  10          1HB       ARG  10   0.879   8.526  -5.158
   60   2HB   ARG  10          2HB       ARG  10   0.928   8.528  -3.414
   61   1HG   ARG  10          1HG       ARG  10  -1.329   8.726  -4.655
   62   2HG   ARG  10          2HG       ARG  10  -1.025   9.573  -3.175
   63   1HD   ARG  10          1HD       ARG  10  -0.441  11.419  -5.317
   64   2HD   ARG  10          2HD       ARG  10  -1.957  10.596  -5.684
   65    HE   ARG  10           HE       ARG  10  -1.794  11.432  -2.917
   66   1HH1  ARG  10          1HH1      ARG  10  -2.554  12.764  -6.118
   67   2HH1  ARG  10          2HH1      ARG  10  -3.636  13.966  -5.505
   68   1HH2  ARG  10          1HH2      ARG  10  -3.224  13.003  -2.096
   69   2HH2  ARG  10          2HH2      ARG  10  -4.021  14.099  -3.138
   70    H    GLY  11           H        GLY  11   3.278   9.044  -6.088
   71   1HA   GLY  11          1HA       GLY  11   3.979   9.442  -8.213
   72   2HA   GLY  11          2HA       GLY  11   2.753  10.709  -8.389
   73    H    ARG  12           H        ARG  12   4.575  11.421  -5.660
   74    HA   ARG  12           HA       ARG  12   6.982  12.488  -6.619
   75   1HB   ARG  12          1HB       ARG  12   4.719  14.424  -5.857
   76   2HB   ARG  12          2HB       ARG  12   6.436  14.810  -5.709
   77   1HG   ARG  12          1HG       ARG  12   6.680  14.345  -8.191
   78   2HG   ARG  12          2HG       ARG  12   4.906  14.254  -8.274
   79   1HD   ARG  12          1HD       ARG  12   4.717  16.548  -7.427
   80   2HD   ARG  12          2HD       ARG  12   6.466  16.653  -7.232
   81    HE   ARG  12           HE       ARG  12   5.016  16.341  -9.825
   82   1HH1  ARG  12          1HH1      ARG  12   7.806  17.687  -8.080
   83   2HH1  ARG  12          2HH1      ARG  12   8.474  18.485  -9.452
   84   1HH2  ARG  12          1HH2      ARG  12   5.894  17.424 -11.666
   85   2HH2  ARG  12          2HH2      ARG  12   7.345  18.332 -11.539
   86    H    PHE  13           H        PHE  13   7.973  11.686  -4.964
   87    HA   PHE  13           HA       PHE  13   8.339  10.603  -2.893
   88   1HB   PHE  13          1HB       PHE  13   8.332  13.594  -2.447
   89   2HB   PHE  13          2HB       PHE  13   9.178  12.421  -1.437
   90    HD1  PHE  13           HD1      PHE  13   9.468  14.588  -4.265
   91    HD2  PHE  13           HD2      PHE  13  10.920  10.855  -2.653
   92    HE1  PHE  13           HE1      PHE  13  11.435  14.688  -5.780
   93    HE2  PHE  13           HE2      PHE  13  12.873  10.965  -4.174
   94    HZ   PHE  13           HZ       PHE  13  13.133  12.875  -5.738
   95    H    GLY  14           H        GLY  14   6.258   9.482  -2.434
   96   1HA   GLY  14          1HA       GLY  14   4.961  10.525  -0.077
   97   2HA   GLY  14          2HA       GLY  14   3.981  10.617  -1.542
   98    H    ILE  15           H        ILE  15   2.734   9.119   0.039
   99    HA   ILE  15           HA       ILE  15   3.630   6.265  -0.042
  100    HB   ILE  15           HB       ILE  15   2.188   7.850   2.095
  101   1HG1  ILE  15          1HG1      ILE  15   4.200   6.512   3.374
  102   2HG1  ILE  15          2HG1      ILE  15   4.952   6.705   1.799
  103   1HG2  ILE  15          1HG2      ILE  15   2.475   4.838   1.876
  104   2HG2  ILE  15          2HG2      ILE  15   2.122   5.692   3.397
  105   3HG2  ILE  15          3HG2      ILE  15   1.002   5.787   2.050
  106   1HD1  ILE  15          1HD1      ILE  15   3.811   8.942   3.542
  107   2HD1  ILE  15          2HD1      ILE  15   5.526   8.526   3.368
  108   3HD1  ILE  15          3HD1      ILE  15   4.637   9.181   1.986
  109    HA   PRO  16           HA       PRO  16  -0.374   6.234  -2.221
  110   1HB   PRO  16          1HB       PRO  16   0.212   4.320  -4.091
  111   2HB   PRO  16          2HB       PRO  16   0.755   6.012  -4.279
  112   1HG   PRO  16          1HG       PRO  16   2.330   3.666  -3.186
  113   2HG   PRO  16          2HG       PRO  16   2.837   4.846  -4.435
  114   1HD   PRO  16          1HD       PRO  16   3.555   5.107  -1.813
  115   2HD   PRO  16          2HD       PRO  16   3.200   6.532  -2.827
  116    H    PHE  17           H        PHE  17  -1.427   3.716  -2.760
  117    HA   PHE  17           HA       PHE  17  -1.792   2.454  -0.235
  118   1HB   PHE  17          1HB       PHE  17  -3.115   0.837  -1.625
  119   2HB   PHE  17          2HB       PHE  17  -3.539   2.515  -1.860
  120    HD1  PHE  17           HD1      PHE  17  -1.635  -0.342  -3.413
  121    HD2  PHE  17           HD2      PHE  17  -3.446   3.539  -4.024
  122    HE1  PHE  17           HE1      PHE  17  -1.238  -0.533  -5.835
  123    HE2  PHE  17           HE2      PHE  17  -3.049   3.324  -6.461
  124    HZ   PHE  17           HZ       PHE  17  -1.938   1.296  -7.371
  125    H    PHE  18           H        PHE  18   1.109   2.377  -1.236
  126    HA   PHE  18           HA       PHE  18   1.820  -0.077  -2.331
  127   1HB   PHE  18          1HB       PHE  18   4.036   0.393  -1.869
  128   2HB   PHE  18          2HB       PHE  18   3.294   1.961  -2.028
  129    HD1  PHE  18           HD1      PHE  18   3.370   3.582  -0.192
  130    HD2  PHE  18           HD2      PHE  18   4.769  -0.466   0.324
  131    HE1  PHE  18           HE1      PHE  18   4.610   4.243   1.867
  132    HE2  PHE  18           HE2      PHE  18   5.909   0.192   2.420
  133    HZ   PHE  18           HZ       PHE  18   5.833   2.554   3.187
  134    HA   PRO  19           HA       PRO  19   2.551  -1.954   2.007
  135   1HB   PRO  19          1HB       PRO  19   0.775  -1.442   4.059
  136   2HB   PRO  19          2HB       PRO  19   2.333  -0.599   3.805
  137   1HG   PRO  19          1HG       PRO  19  -0.427   0.276   2.896
  138   2HG   PRO  19          2HG       PRO  19   0.812   1.241   3.768
  139   1HD   PRO  19          1HD       PRO  19   0.569   1.470   1.143
  140   2HD   PRO  19          2HD       PRO  19   2.195   1.353   1.854
  141    H    VAL  20           H        VAL  20  -0.480  -1.610   0.350
  142    HA   VAL  20           HA       VAL  20  -1.996  -3.786   1.308
  143    HB   VAL  20           HB       VAL  20  -1.532  -2.428  -1.389
  144   1HG1  VAL  20          1HG1      VAL  20  -3.340  -4.814  -0.977
  145   2HG1  VAL  20          2HG1      VAL  20  -3.502  -3.630  -2.319
  146   3HG1  VAL  20          3HG1      VAL  20  -2.052  -4.585  -2.181
  147   1HG2  VAL  20          1HG2      VAL  20  -2.839  -1.236   0.378
  148   2HG2  VAL  20          2HG2      VAL  20  -3.817  -1.600  -1.047
  149   3HG2  VAL  20          3HG2      VAL  20  -3.990  -2.590   0.418
  150    H    HIS  21           H        HIS  21   0.324  -3.827  -1.362
  151    HA   HIS  21           HA       HIS  21   0.151  -6.547  -1.962
  152   1HB   HIS  21          1HB       HIS  21   2.295  -4.454  -2.198
  153   2HB   HIS  21          2HB       HIS  21   2.399  -5.981  -3.085
  154    HD1  HIS  21           HD1      HIS  21   0.143  -6.094  -5.023
  155    HD2  HIS  21           HD2      HIS  21   1.187  -2.462  -3.144
  156    HE1  HIS  21           HE1      HIS  21  -1.047  -4.245  -6.300
  157    H    LEU  22           H        LEU  22   2.367  -4.854   0.164
  158    HA   LEU  22           HA       LEU  22   3.928  -7.118   0.990
  159   1HB   LEU  22          1HB       LEU  22   3.503  -4.394   2.300
  160   2HB   LEU  22          2HB       LEU  22   4.669  -5.593   2.800
  161    HG   LEU  22           HG       LEU  22   6.024  -4.214   1.613
  162   1HD1  LEU  22          1HD1      LEU  22   5.101  -5.985  -0.693
  163   2HD1  LEU  22          2HD1      LEU  22   6.669  -5.191  -0.507
  164   3HD1  LEU  22          3HD1      LEU  22   6.214  -6.493   0.604
  165   1HD2  LEU  22          1HD2      LEU  22   4.270  -2.687   0.808
  166   2HD2  LEU  22          2HD2      LEU  22   5.514  -2.988  -0.406
  167   3HD2  LEU  22          3HD2      LEU  22   3.937  -3.774  -0.557
  168    H    LYS  23           H        LYS  23   1.142  -5.385   2.639
  169    HA   LYS  23           HA       LYS  23   1.198  -7.250   4.817
  170   1HB   LYS  23          1HB       LYS  23   0.031  -4.975   4.783
  171   2HB   LYS  23          2HB       LYS  23  -1.273  -5.744   3.858
  172   1HG   LYS  23          1HG       LYS  23  -1.559  -7.400   5.738
  173   2HG   LYS  23          2HG       LYS  23  -0.235  -6.612   6.608
  174   1HD   LYS  23          1HD       LYS  23  -1.617  -4.485   6.587
  175   2HD   LYS  23          2HD       LYS  23  -2.963  -5.425   5.936
  176   1HE   LYS  23          1HE       LYS  23  -1.513  -5.908   8.589
  177   2HE   LYS  23          2HE       LYS  23  -3.079  -5.114   8.412
  178   1HZ   LYS  23          1HZ       LYS  23  -3.981  -7.193   7.576
  179   2HZ   LYS  23          2HZ       LYS  23  -2.517  -7.938   7.724
  180   3HZ   LYS  23          3HZ       LYS  23  -3.315  -7.413   9.058
  181    H    ARG  24           H        ARG  24  -0.177  -7.394   1.572
  182    HA   ARG  24           HA       ARG  24  -1.765  -9.743   2.039
  183   1HB   ARG  24          1HB       ARG  24  -2.308  -8.405   0.189
  184   2HB   ARG  24          2HB       ARG  24  -0.684  -8.384  -0.433
  185   1HG   ARG  24          1HG       ARG  24  -1.753 -11.146  -0.345
  186   2HG   ARG  24          2HG       ARG  24  -2.819 -10.058  -1.203
  187   1HD   ARG  24          1HD       ARG  24  -1.179 -11.143  -2.705
  188   2HD   ARG  24          2HD       ARG  24  -1.113  -9.388  -2.741
  189    HE   ARG  24           HE       ARG  24   0.905  -9.387  -1.455
  190   1HH1  ARG  24          1HH1      ARG  24   0.025 -12.683  -2.458
  191   2HH1  ARG  24          2HH1      ARG  24   1.647 -13.249  -2.552
  192   1HH2  ARG  24          1HH2      ARG  24   3.024 -10.088  -1.597
  193   2HH2  ARG  24          2HH2      ARG  24   3.426 -11.706  -2.057
  194    H    LEU  25           H        LEU  25   1.722  -9.292   1.445
  195    HA   LEU  25           HA       LEU  25   2.245 -12.096   0.930
  196   1HB   LEU  25          1HB       LEU  25   3.873 -10.210   0.475
  197   2HB   LEU  25          2HB       LEU  25   4.088  -9.995   2.184
  198    HG   LEU  25           HG       LEU  25   5.874 -11.251   0.969
  199   1HD1  LEU  25          1HD1      LEU  25   4.758 -12.837   3.307
  200   2HD1  LEU  25          2HD1      LEU  25   6.429 -12.707   2.764
  201   3HD1  LEU  25          3HD1      LEU  25   5.630 -11.293   3.457
  202   1HD2  LEU  25          1HD2      LEU  25   5.649 -13.615   0.521
  203   2HD2  LEU  25          2HD2      LEU  25   3.961 -13.615   1.039
  204   3HD2  LEU  25          3HD2      LEU  25   4.454 -12.725  -0.428
  205    H    LEU  26           H        LEU  26   2.315  -9.982   3.770
  206    HA   LEU  26           HA       LEU  26   2.951 -11.974   5.702
  207   1HB   LEU  26          1HB       LEU  26   3.164  -9.625   6.144
  208   2HB   LEU  26          2HB       LEU  26   1.433  -9.350   6.015
  209    HG   LEU  26           HG       LEU  26   2.369 -11.363   8.065
  210   1HD1  LEU  26          1HD1      LEU  26   3.960  -9.522   8.369
  211   2HD1  LEU  26          2HD1      LEU  26   2.630  -8.343   8.432
  212   3HD1  LEU  26          3HD1      LEU  26   2.813  -9.574   9.706
  213   1HD2  LEU  26          1HD2      LEU  26   0.233  -9.165   8.103
  214   2HD2  LEU  26          2HD2      LEU  26  -0.068 -10.902   7.843
  215   3HD2  LEU  26          3HD2      LEU  26   0.536 -10.349   9.397
  216    H    ILE  27           H        ILE  27  -0.283 -10.887   4.591
  217    HA   ILE  27           HA       ILE  27  -1.778 -12.595   6.317
  218    HB   ILE  27           HB       ILE  27  -2.403 -11.273   3.655
  219   1HG1  ILE  27          1HG1      ILE  27  -3.552 -10.714   6.428
  220   2HG1  ILE  27          2HG1      ILE  27  -2.071  -9.954   5.887
  221   1HG2  ILE  27          1HG2      ILE  27  -3.856 -13.256   3.770
  222   2HG2  ILE  27          2HG2      ILE  27  -4.333 -12.848   5.423
  223   3HG2  ILE  27          3HG2      ILE  27  -4.816 -11.816   4.059
  224   1HD1  ILE  27          1HD1      ILE  27  -3.270  -8.960   3.938
  225   2HD1  ILE  27          2HD1      ILE  27  -4.793  -9.632   4.564
  226   3HD1  ILE  27          3HD1      ILE  27  -3.906  -8.429   5.507
  227    H    LEU  28           H        LEU  28  -0.453 -13.177   2.984
  228    HA   LEU  28           HA       LEU  28  -1.474 -15.853   2.791
  229   1HB   LEU  28          1HB       LEU  28  -0.598 -14.353   0.965
  230   2HB   LEU  28          2HB       LEU  28   1.028 -14.749   1.512
  231    HG   LEU  28           HG       LEU  28   0.247 -16.036  -0.386
  232   1HD1  LEU  28          1HD1      LEU  28   1.856 -17.007   1.366
  233   2HD1  LEU  28          2HD1      LEU  28   0.505 -18.066   1.819
  234   3HD1  LEU  28          3HD1      LEU  28   1.120 -18.117   0.175
  235   1HD2  LEU  28          1HD2      LEU  28  -2.206 -16.236   0.280
  236   2HD2  LEU  28          2HD2      LEU  28  -1.479 -17.762  -0.282
  237   3HD2  LEU  28          3HD2      LEU  28  -1.735 -17.486   1.435
  238    H    LEU  29           H        LEU  29   1.686 -14.659   3.956
  239    HA   LEU  29           HA       LEU  29   2.717 -17.181   4.659
  240   1HB   LEU  29          1HB       LEU  29   4.017 -15.057   4.677
  241   2HB   LEU  29          2HB       LEU  29   3.112 -14.519   6.093
  242    HG   LEU  29           HG       LEU  29   4.067 -16.392   7.431
  243   1HD1  LEU  29          1HD1      LEU  29   4.533 -18.051   5.677
  244   2HD1  LEU  29          2HD1      LEU  29   5.704 -16.953   4.905
  245   3HD1  LEU  29          3HD1      LEU  29   6.025 -17.641   6.514
  246   1HD2  LEU  29          1HD2      LEU  29   6.332 -15.460   7.586
  247   2HD2  LEU  29          2HD2      LEU  29   6.129 -14.649   6.016
  248   3HD2  LEU  29          3HD2      LEU  29   5.129 -14.177   7.413
  249    H    LEU  30           H        LEU  30   0.443 -15.168   6.518
  250    HA   LEU  30           HA       LEU  30   0.360 -16.951   8.799
  251   1HB   LEU  30          1HB       LEU  30  -0.264 -14.546   8.862
  252   2HB   LEU  30          2HB       LEU  30  -1.622 -14.886   7.805
  253    HG   LEU  30           HG       LEU  30  -2.649 -16.349   9.530
  254   1HD1  LEU  30          1HD1      LEU  30  -0.678 -17.108  10.775
  255   2HD1  LEU  30          2HD1      LEU  30  -0.300 -15.441  11.268
  256   3HD1  LEU  30          3HD1      LEU  30  -1.764 -16.257  11.867
  257   1HD2  LEU  30          1HD2      LEU  30  -3.306 -14.543  11.051
  258   2HD2  LEU  30          2HD2      LEU  30  -1.926 -13.559  10.513
  259   3HD2  LEU  30          3HD2      LEU  30  -3.238 -13.969   9.379
  260    H    LEU  31           H        LEU  31  -1.662 -16.516   5.887
  261    HA   LEU  31           HA       LEU  31  -2.915 -19.136   6.294
  262   1HB   LEU  31          1HB       LEU  31  -4.382 -17.356   7.251
  263   2HB   LEU  31          2HB       LEU  31  -4.350 -16.525   5.695
  264    HG   LEU  31           HG       LEU  31  -5.443 -18.544   4.647
  265   1HD1  LEU  31          1HD1      LEU  31  -5.707 -19.469   7.546
  266   2HD1  LEU  31          2HD1      LEU  31  -6.570 -20.174   6.162
  267   3HD1  LEU  31          3HD1      LEU  31  -4.814 -20.300   6.256
  268   1HD2  LEU  31          1HD2      LEU  31  -7.678 -18.074   5.567
  269   2HD2  LEU  31          2HD2      LEU  31  -6.944 -17.266   6.971
  270   3HD2  LEU  31          3HD2      LEU  31  -6.754 -16.582   5.339
  271   1HN   NH2  32          1HN       NH2  32  -1.288 -19.710   4.733
  272   2HN   NH2  32          2HN       NH2  32  -1.640 -19.441   3.039
  Start of MODEL   10
    1   1H    SER   1          1H        SER   1  -8.547  19.436 -11.368
    2   2H    SER   1          2H        SER   1  -8.186  20.955 -10.774
    3   3H    SER   1          3H        SER   1  -7.122  19.722 -10.582
    4    HA   SER   1           HA       SER   1  -9.764  19.773  -9.343
    5   1HB   SER   1          1HB       SER   1  -8.723  17.849  -8.032
    6   2HB   SER   1          2HB       SER   1  -8.947  17.513  -9.754
    7    HG   SER   1           HG       SER   1  -6.619  17.910  -8.277
    8    HA   PRO   2           HA       PRO   2  -7.276  21.807  -5.974
    9   1HB   PRO   2          1HB       PRO   2  -8.021  20.364  -3.749
   10   2HB   PRO   2          2HB       PRO   2  -9.033  21.665  -4.447
   11   1HG   PRO   2          1HG       PRO   2  -9.249  18.672  -4.906
   12   2HG   PRO   2          2HG       PRO   2 -10.559  19.822  -4.482
   13   1HD   PRO   2          1HD       PRO   2 -10.130  19.057  -7.046
   14   2HD   PRO   2          2HD       PRO   2 -10.586  20.736  -6.662
   15    HA   PRO   3           HA       PRO   3  -4.011  18.707  -5.801
   16   1HB   PRO   3          1HB       PRO   3  -2.573  19.367  -3.568
   17   2HB   PRO   3          2HB       PRO   3  -2.618  20.409  -5.023
   18   1HG   PRO   3          1HG       PRO   3  -4.266  20.674  -2.490
   19   2HG   PRO   3          2HG       PRO   3  -3.351  21.949  -3.350
   20   1HD   PRO   3          1HD       PRO   3  -6.038  21.577  -3.700
   21   2HD   PRO   3          2HD       PRO   3  -4.980  22.109  -5.041
   22    H    ASP   4           H        ASP   4  -3.029  16.975  -4.136
   23    HA   ASP   4           HA       ASP   4  -5.276  15.688  -2.778
   24   1HB   ASP   4          1HB       ASP   4  -3.829  13.709  -2.872
   25   2HB   ASP   4          2HB       ASP   4  -4.246  14.381  -4.438
   26    H    TYR   5           H        TYR   5  -4.792  17.734  -1.360
   27    HA   TYR   5           HA       TYR   5  -2.632  17.698   0.518
   28   1HB   TYR   5          1HB       TYR   5  -3.775  19.568   1.524
   29   2HB   TYR   5          2HB       TYR   5  -3.828  19.727  -0.215
   30    HD1  TYR   5           HD1      TYR   5  -5.994  19.497  -1.451
   31    HD2  TYR   5           HD2      TYR   5  -5.825  19.262   2.852
   32    HE1  TYR   5           HE1      TYR   5  -8.453  19.711  -1.343
   33    HE2  TYR   5           HE2      TYR   5  -8.270  19.474   2.967
   34    HH   TYR   5           HH       TYR   5 -10.244  19.702   1.744
   35    H    SER   6           H        SER   6  -4.454  15.163   0.515
   36    HA   SER   6           HA       SER   6  -4.962  14.986   3.402
   37   1HB   SER   6          1HB       SER   6  -6.948  14.552   1.147
   38   2HB   SER   6          2HB       SER   6  -7.148  13.959   2.796
   39    HG   SER   6           HG       SER   6  -6.444  16.600   2.711
   40    H    ALA   7           H        ALA   7  -6.014  12.750   0.967
   41    HA   ALA   7           HA       ALA   7  -4.535  10.518   1.973
   42   1HB   ALA   7          1HB       ALA   7  -5.663  11.000  -0.829
   43   2HB   ALA   7          2HB       ALA   7  -5.086   9.442  -0.204
   44   3HB   ALA   7          3HB       ALA   7  -6.511  10.211   0.525
   45    H    ALA   8           H        ALA   8  -2.410  10.391   2.016
   46    HA   ALA   8           HA       ALA   8  -0.571  12.092   1.262
   47   1HB   ALA   8          1HB       ALA   8   1.111  10.273   1.520
   48   2HB   ALA   8          2HB       ALA   8  -0.165  10.190   2.749
   49   3HB   ALA   8          3HB       ALA   8  -0.186   9.073   1.359
   50    HA   PRO   9           HA       PRO   9  -0.020  12.221  -3.019
   51   1HB   PRO   9          1HB       PRO   9   2.558  13.169  -3.321
   52   2HB   PRO   9          2HB       PRO   9   1.183  14.145  -2.722
   53   1HG   PRO   9          1HG       PRO   9   3.275  12.668  -1.091
   54   2HG   PRO   9          2HG       PRO   9   2.721  14.365  -0.908
   55   1HD   PRO   9          1HD       PRO   9   1.711  12.391   0.643
   56   2HD   PRO   9          2HD       PRO   9   0.646  13.684   0.014
   57    H    ARG  10           H        ARG  10   1.416  11.560  -4.881
   58    HA   ARG  10           HA       ARG  10   2.972   9.126  -4.473
   59   1HB   ARG  10          1HB       ARG  10   1.500   7.898  -6.176
   60   2HB   ARG  10          2HB       ARG  10   0.917   8.013  -4.523
   61   1HG   ARG  10          1HG       ARG  10  -0.041  10.110  -6.461
   62   2HG   ARG  10          2HG       ARG  10  -0.668   8.467  -6.636
   63   1HD   ARG  10          1HD       ARG  10  -1.559   8.429  -4.403
   64   2HD   ARG  10          2HD       ARG  10  -0.724   9.917  -3.971
   65    HE   ARG  10           HE       ARG  10  -2.509  10.287  -6.199
   66   1HH1  ARG  10          1HH1      ARG  10  -2.194  10.386  -2.650
   67   2HH1  ARG  10          2HH1      ARG  10  -3.338  11.581  -2.421
   68   1HH2  ARG  10          1HH2      ARG  10  -4.184  11.836  -5.884
   69   2HH2  ARG  10          2HH2      ARG  10  -4.607  12.312  -4.284
   70    H    GLY  11           H        GLY  11   4.087   8.532  -6.478
   71   1HA   GLY  11          1HA       GLY  11   5.322   9.054  -8.316
   72   2HA   GLY  11          2HA       GLY  11   4.070  10.203  -8.814
   73    H    ARG  12           H        ARG  12   5.003  11.061  -5.736
   74    HA   ARG  12           HA       ARG  12   7.493  12.453  -6.237
   75   1HB   ARG  12          1HB       ARG  12   4.885  13.950  -5.643
   76   2HB   ARG  12          2HB       ARG  12   6.495  14.598  -5.316
   77   1HG   ARG  12          1HG       ARG  12   7.055  14.359  -7.749
   78   2HG   ARG  12          2HG       ARG  12   5.374  13.868  -8.052
   79   1HD   ARG  12          1HD       ARG  12   4.548  16.005  -7.192
   80   2HD   ARG  12          2HD       ARG  12   6.203  16.503  -6.773
   81    HE   ARG  12           HE       ARG  12   6.124  15.796  -9.508
   82   1HH1  ARG  12          1HH1      ARG  12   4.905  18.352  -7.389
   83   2HH1  ARG  12          2HH1      ARG  12   4.943  19.604  -8.573
   84   1HH2  ARG  12          1HH2      ARG  12   6.196  17.449 -11.138
   85   2HH2  ARG  12          2HH2      ARG  12   5.697  19.056 -10.788
   86    H    PHE  13           H        PHE  13   8.291  11.215  -4.657
   87    HA   PHE  13           HA       PHE  13   8.399   9.983  -2.649
   88   1HB   PHE  13          1HB       PHE  13   8.814  12.918  -2.039
   89   2HB   PHE  13          2HB       PHE  13   9.490  11.568  -1.130
   90    HD1  PHE  13           HD1      PHE  13  11.056   9.914  -2.374
   91    HD2  PHE  13           HD2      PHE  13   9.970  13.789  -3.941
   92    HE1  PHE  13           HE1      PHE  13  12.969   9.821  -3.948
   93    HE2  PHE  13           HE2      PHE  13  11.891  13.682  -5.511
   94    HZ   PHE  13           HZ       PHE  13  13.386  11.699  -5.520
   95    H    GLY  14           H        GLY  14   6.199   9.143  -2.273
   96   1HA   GLY  14          1HA       GLY  14   4.952  10.282   0.088
   97   2HA   GLY  14          2HA       GLY  14   3.999  10.389  -1.394
   98    H    ILE  15           H        ILE  15   2.606   8.938   0.065
   99    HA   ILE  15           HA       ILE  15   3.468   6.062   0.126
  100    HB   ILE  15           HB       ILE  15   1.732   7.612   2.062
  101   1HG1  ILE  15          1HG1      ILE  15   4.523   6.446   2.473
  102   2HG1  ILE  15          2HG1      ILE  15   4.149   8.156   2.297
  103   1HG2  ILE  15          1HG2      ILE  15   1.618   5.555   3.376
  104   2HG2  ILE  15          2HG2      ILE  15   0.994   5.245   1.770
  105   3HG2  ILE  15          3HG2      ILE  15   2.619   4.699   2.187
  106   1HD1  ILE  15          1HD1      ILE  15   4.454   7.743   4.613
  107   2HD1  ILE  15          2HD1      ILE  15   2.724   8.043   4.353
  108   3HD1  ILE  15          3HD1      ILE  15   3.324   6.384   4.613
  109    HA   PRO  16           HA       PRO  16  -0.298   6.071  -2.453
  110   1HB   PRO  16          1HB       PRO  16   0.531   4.080  -4.209
  111   2HB   PRO  16          2HB       PRO  16   0.904   5.802  -4.436
  112   1HG   PRO  16          1HG       PRO  16   2.651   3.659  -3.226
  113   2HG   PRO  16          2HG       PRO  16   3.102   4.910  -4.425
  114   1HD   PRO  16          1HD       PRO  16   3.653   5.198  -1.778
  115   2HD   PRO  16          2HD       PRO  16   3.171   6.598  -2.752
  116    H    PHE  17           H        PHE  17  -1.287   3.578  -3.101
  117    HA   PHE  17           HA       PHE  17  -1.895   2.284  -0.643
  118   1HB   PHE  17          1HB       PHE  17  -3.030   0.649  -2.204
  119   2HB   PHE  17          2HB       PHE  17  -3.484   2.325  -2.410
  120    HD1  PHE  17           HD1      PHE  17  -3.152   3.482  -4.501
  121    HD2  PHE  17           HD2      PHE  17  -1.419  -0.432  -3.891
  122    HE1  PHE  17           HE1      PHE  17  -2.501   3.386  -6.890
  123    HE2  PHE  17           HE2      PHE  17  -0.776  -0.510  -6.273
  124    HZ   PHE  17           HZ       PHE  17  -1.306   1.396  -7.780
  125    H    PHE  18           H        PHE  18   1.093   2.249  -1.393
  126    HA   PHE  18           HA       PHE  18   1.886  -0.261  -2.350
  127   1HB   PHE  18          1HB       PHE  18   4.070   0.265  -1.805
  128   2HB   PHE  18          2HB       PHE  18   3.320   1.811  -2.086
  129    HD1  PHE  18           HD1      PHE  18   3.473   3.562  -0.460
  130    HD2  PHE  18           HD2      PHE  18   4.601  -0.474   0.536
  131    HE1  PHE  18           HE1      PHE  18   4.745   4.380   1.506
  132    HE2  PHE  18           HE2      PHE  18   5.742   0.344   2.574
  133    HZ   PHE  18           HZ       PHE  18   5.825   2.780   3.054
  134    HA   PRO  19           HA       PRO  19   2.278  -1.919   2.081
  135   1HB   PRO  19          1HB       PRO  19   0.677  -1.077   4.151
  136   2HB   PRO  19          2HB       PRO  19   2.234  -0.312   3.718
  137   1HG   PRO  19          1HG       PRO  19  -0.549   0.538   2.849
  138   2HG   PRO  19          2HG       PRO  19   0.736   1.550   3.591
  139   1HD   PRO  19          1HD       PRO  19   0.385   1.500   0.950
  140   2HD   PRO  19          2HD       PRO  19   2.029   1.510   1.632
  141    H    VAL  20           H        VAL  20  -0.382  -1.725   0.109
  142    HA   VAL  20           HA       VAL  20  -2.108  -3.702   1.399
  143    HB   VAL  20           HB       VAL  20  -1.797  -2.432  -1.370
  144   1HG1  VAL  20          1HG1      VAL  20  -3.626  -4.741  -0.731
  145   2HG1  VAL  20          2HG1      VAL  20  -3.856  -3.607  -2.107
  146   3HG1  VAL  20          3HG1      VAL  20  -2.422  -4.592  -2.031
  147   1HG2  VAL  20          1HG2      VAL  20  -4.114  -2.407   0.620
  148   2HG2  VAL  20          2HG2      VAL  20  -2.924  -1.098   0.403
  149   3HG2  VAL  20          3HG2      VAL  20  -4.027  -1.511  -0.910
  150    H    HIS  21           H        HIS  21  -0.044  -3.787  -1.466
  151    HA   HIS  21           HA       HIS  21  -0.185  -6.499  -1.978
  152   1HB   HIS  21          1HB       HIS  21   1.913  -4.396  -2.413
  153   2HB   HIS  21          2HB       HIS  21   1.954  -5.935  -3.289
  154    HD1  HIS  21           HD1      HIS  21  -0.563  -6.102  -4.935
  155    HD2  HIS  21           HD2      HIS  21   0.840  -2.424  -3.404
  156    HE1  HIS  21           HE1      HIS  21  -1.805  -4.271  -6.185
  157    H    LEU  22           H        LEU  22   2.273  -4.792  -0.064
  158    HA   LEU  22           HA       LEU  22   3.775  -7.138   0.623
  159   1HB   LEU  22          1HB       LEU  22   3.600  -4.436   2.025
  160   2HB   LEU  22          2HB       LEU  22   4.748  -5.710   2.357
  161    HG   LEU  22           HG       LEU  22   6.047  -4.332   1.094
  162   1HD1  LEU  22          1HD1      LEU  22   6.433  -5.257  -1.112
  163   2HD1  LEU  22          2HD1      LEU  22   6.030  -6.582  -0.007
  164   3HD1  LEU  22          3HD1      LEU  22   4.819  -5.978  -1.167
  165   1HD2  LEU  22          1HD2      LEU  22   4.224  -2.740   0.527
  166   2HD2  LEU  22          2HD2      LEU  22   5.397  -2.979  -0.773
  167   3HD2  LEU  22          3HD2      LEU  22   3.809  -3.750  -0.879
  168    H    LYS  23           H        LYS  23   1.139  -5.327   2.425
  169    HA   LYS  23           HA       LYS  23   1.384  -7.117   4.688
  170   1HB   LYS  23          1HB       LYS  23   0.389  -4.880   4.814
  171   2HB   LYS  23          2HB       LYS  23  -0.957  -5.413   3.768
  172   1HG   LYS  23          1HG       LYS  23  -1.801  -6.872   5.456
  173   2HG   LYS  23          2HG       LYS  23  -0.324  -6.752   6.417
  174   1HD   LYS  23          1HD       LYS  23  -2.188  -5.496   7.394
  175   2HD   LYS  23          2HD       LYS  23  -0.811  -4.464   7.048
  176   1HE   LYS  23          1HE       LYS  23  -3.154  -4.724   5.112
  177   2HE   LYS  23          2HE       LYS  23  -3.230  -3.645   6.507
  178   1HZ   LYS  23          1HZ       LYS  23  -2.503  -2.461   4.569
  179   2HZ   LYS  23          2HZ       LYS  23  -1.296  -2.484   5.679
  180   3HZ   LYS  23          3HZ       LYS  23  -1.205  -3.439   4.343
  181    H    ARG  24           H        ARG  24  -0.253  -7.303   1.582
  182    HA   ARG  24           HA       ARG  24  -1.897  -9.573   2.225
  183   1HB   ARG  24          1HB       ARG  24  -2.457  -8.263   0.348
  184   2HB   ARG  24          2HB       ARG  24  -0.875  -8.371  -0.360
  185   1HG   ARG  24          1HG       ARG  24  -2.859 -10.681  -0.138
  186   2HG   ARG  24          2HG       ARG  24  -2.656  -9.639  -1.535
  187   1HD   ARG  24          1HD       ARG  24  -0.905 -11.873  -0.596
  188   2HD   ARG  24          2HD       ARG  24  -1.485 -11.488  -2.208
  189    HE   ARG  24           HE       ARG  24   0.281  -9.421  -1.326
  190   1HH1  ARG  24          1HH1      ARG  24   0.469 -12.820  -2.317
  191   2HH1  ARG  24          2HH1      ARG  24   2.136 -12.762  -2.738
  192   1HH2  ARG  24          1HH2      ARG  24   2.428  -9.309  -1.784
  193   2HH2  ARG  24          2HH2      ARG  24   3.302 -10.637  -2.490
  194    H    LEU  25           H        LEU  25   1.547  -9.262   1.416
  195    HA   LEU  25           HA       LEU  25   1.988 -12.076   0.928
  196   1HB   LEU  25          1HB       LEU  25   3.523 -10.050   0.395
  197   2HB   LEU  25          2HB       LEU  25   4.020 -10.115   2.078
  198    HG   LEU  25           HG       LEU  25   4.228 -12.503   0.199
  199   1HD1  LEU  25          1HD1      LEU  25   6.594 -11.879  -0.094
  200   2HD1  LEU  25          2HD1      LEU  25   5.531 -10.605  -0.704
  201   3HD1  LEU  25          3HD1      LEU  25   6.343 -10.411   0.868
  202   1HD2  LEU  25          1HD2      LEU  25   6.042 -13.198   1.822
  203   2HD2  LEU  25          2HD2      LEU  25   5.545 -11.873   2.890
  204   3HD2  LEU  25          3HD2      LEU  25   4.439 -13.216   2.524
  205    H    LEU  26           H        LEU  26   2.223  -9.904   3.781
  206    HA   LEU  26           HA       LEU  26   2.980 -11.949   5.612
  207   1HB   LEU  26          1HB       LEU  26   3.254  -9.553   6.087
  208   2HB   LEU  26          2HB       LEU  26   1.500  -9.341   6.130
  209    HG   LEU  26           HG       LEU  26   1.350 -10.832   8.114
  210   1HD1  LEU  26          1HD1      LEU  26   4.406 -10.880   7.952
  211   2HD1  LEU  26          2HD1      LEU  26   3.446 -11.423   9.344
  212   3HD1  LEU  26          3HD1      LEU  26   3.312 -12.279   7.815
  213   1HD2  LEU  26          1HD2      LEU  26   1.565  -8.400   8.385
  214   2HD2  LEU  26          2HD2      LEU  26   2.356  -9.266   9.707
  215   3HD2  LEU  26          3HD2      LEU  26   3.341  -8.548   8.416
  216    H    ILE  27           H        ILE  27  -0.288 -10.728   4.759
  217    HA   ILE  27           HA       ILE  27  -1.729 -12.385   6.571
  218    HB   ILE  27           HB       ILE  27  -2.472 -11.099   3.919
  219   1HG1  ILE  27          1HG1      ILE  27  -3.417 -10.425   6.745
  220   2HG1  ILE  27          2HG1      ILE  27  -1.965  -9.715   6.065
  221   1HG2  ILE  27          1HG2      ILE  27  -3.970 -13.040   4.187
  222   2HG2  ILE  27          2HG2      ILE  27  -4.337 -12.554   5.850
  223   3HG2  ILE  27          3HG2      ILE  27  -4.868 -11.559   4.478
  224   1HD1  ILE  27          1HD1      ILE  27  -3.806  -8.175   5.790
  225   2HD1  ILE  27          2HD1      ILE  27  -3.283  -8.748   4.192
  226   3HD1  ILE  27          3HD1      ILE  27  -4.772  -9.381   4.936
  227    H    LEU  28           H        LEU  28  -0.631 -13.027   3.175
  228    HA   LEU  28           HA       LEU  28  -1.741 -15.673   3.079
  229   1HB   LEU  28          1HB       LEU  28  -0.965 -14.192   1.181
  230   2HB   LEU  28          2HB       LEU  28   0.682 -14.677   1.579
  231    HG   LEU  28           HG       LEU  28  -0.354 -15.904  -0.238
  232   1HD1  LEU  28          1HD1      LEU  28   0.036 -17.966   1.919
  233   2HD1  LEU  28          2HD1      LEU  28   0.459 -18.034   0.217
  234   3HD1  LEU  28          3HD1      LEU  28   1.380 -16.973   1.319
  235   1HD2  LEU  28          1HD2      LEU  28  -2.195 -17.291   1.768
  236   2HD2  LEU  28          2HD2      LEU  28  -2.736 -15.983   0.705
  237   3HD2  LEU  28          3HD2      LEU  28  -2.159 -17.528   0.031
  238    H    LEU  29           H        LEU  29   1.507 -14.569   3.959
  239    HA   LEU  29           HA       LEU  29   2.645 -17.043   4.639
  240   1HB   LEU  29          1HB       LEU  29   3.828 -14.899   4.585
  241   2HB   LEU  29          2HB       LEU  29   3.043 -14.377   6.069
  242    HG   LEU  29           HG       LEU  29   4.691 -16.932   6.009
  243   1HD1  LEU  29          1HD1      LEU  29   6.104 -15.164   5.045
  244   2HD1  LEU  29          2HD1      LEU  29   5.742 -14.098   6.425
  245   3HD1  LEU  29          3HD1      LEU  29   6.664 -15.600   6.662
  246   1HD2  LEU  29          1HD2      LEU  29   3.459 -16.571   8.115
  247   2HD2  LEU  29          2HD2      LEU  29   5.163 -16.278   8.392
  248   3HD2  LEU  29          3HD2      LEU  29   4.055 -14.901   8.216
  249    H    LEU  30           H        LEU  30   0.656 -14.933   6.765
  250    HA   LEU  30           HA       LEU  30   0.540 -16.715   8.978
  251   1HB   LEU  30          1HB       LEU  30  -0.076 -14.310   9.013
  252   2HB   LEU  30          2HB       LEU  30  -1.488 -14.672   8.037
  253    HG   LEU  30           HG       LEU  30  -2.430 -16.086   9.843
  254   1HD1  LEU  30          1HD1      LEU  30   0.019 -15.173  11.433
  255   2HD1  LEU  30          2HD1      LEU  30  -1.420 -15.957  12.128
  256   3HD1  LEU  30          3HD1      LEU  30  -0.407 -16.846  10.997
  257   1HD2  LEU  30          1HD2      LEU  30  -2.989 -14.246  11.365
  258   2HD2  LEU  30          2HD2      LEU  30  -1.629 -13.286  10.739
  259   3HD2  LEU  30          3HD2      LEU  30  -3.002 -13.698   9.683
  260    H    LEU  31           H        LEU  31  -1.569 -16.377   6.152
  261    HA   LEU  31           HA       LEU  31  -3.460 -18.416   6.799
  262   1HB   LEU  31          1HB       LEU  31  -3.703 -16.585   5.120
  263   2HB   LEU  31          2HB       LEU  31  -2.690 -17.514   4.026
  264    HG   LEU  31           HG       LEU  31  -4.929 -19.103   5.167
  265   1HD1  LEU  31          1HD1      LEU  31  -6.066 -16.936   5.109
  266   2HD1  LEU  31          2HD1      LEU  31  -5.591 -16.707   3.409
  267   3HD1  LEU  31          3HD1      LEU  31  -6.704 -18.019   3.865
  268   1HD2  LEU  31          1HD2      LEU  31  -5.262 -19.771   2.852
  269   2HD2  LEU  31          2HD2      LEU  31  -4.214 -18.462   2.263
  270   3HD2  LEU  31          3HD2      LEU  31  -3.532 -19.813   3.192
  271   1HN   NH2  32          1HN       NH2  32  -0.115 -18.784   5.933
  272   2HN   NH2  32          2HN       NH2  32  -0.218 -20.500   5.594
  Start of MODEL   11
    1   1H    SER   1          1H        SER   1  -5.287   4.262 -22.534
    2   2H    SER   1          2H        SER   1  -6.703   4.909 -23.085
    3   3H    SER   1          3H        SER   1  -5.295   5.039 -23.978
    4    HA   SER   1           HA       SER   1  -5.839   7.114 -22.808
    5   1HB   SER   1          1HB       SER   1  -5.437   6.965 -20.279
    6   2HB   SER   1          2HB       SER   1  -6.890   6.135 -20.853
    7    HG   SER   1           HG       SER   1  -4.520   5.118 -19.824
    8    HA   PRO   2           HA       PRO   2  -1.202   7.201 -22.218
    9   1HB   PRO   2          1HB       PRO   2  -0.896   9.036 -20.193
   10   2HB   PRO   2          2HB       PRO   2  -1.180   9.514 -21.896
   11   1HG   PRO   2          1HG       PRO   2  -3.218   9.251 -19.660
   12   2HG   PRO   2          2HG       PRO   2  -2.984  10.631 -20.784
   13   1HD   PRO   2          1HD       PRO   2  -4.881   8.748 -21.240
   14   2HD   PRO   2          2HD       PRO   2  -3.943   9.442 -22.587
   15    HA   PRO   3           HA       PRO   3  -1.182   4.520 -18.587
   16   1HB   PRO   3          1HB       PRO   3   1.400   4.603 -17.714
   17   2HB   PRO   3          2HB       PRO   3   0.967   3.895 -19.299
   18   1HG   PRO   3          1HG       PRO   3   1.971   6.704 -18.717
   19   2HG   PRO   3          2HG       PRO   3   2.593   5.542 -19.936
   20   1HD   PRO   3          1HD       PRO   3   0.803   7.504 -20.569
   21   2HD   PRO   3          2HD       PRO   3   0.740   5.896 -21.352
   22    H    ASP   4           H        ASP   4  -0.346   4.606 -16.130
   23    HA   ASP   4           HA       ASP   4  -1.219   7.156 -14.948
   24   1HB   ASP   4          1HB       ASP   4  -1.707   5.913 -13.021
   25   2HB   ASP   4          2HB       ASP   4  -2.238   4.837 -14.308
   26    H    TYR   5           H        TYR   5   0.301   6.821 -12.540
   27    HA   TYR   5           HA       TYR   5   3.019   7.468 -13.494
   28   1HB   TYR   5          1HB       TYR   5   3.436   8.143 -11.207
   29   2HB   TYR   5          2HB       TYR   5   2.126   9.021 -11.950
   30    HD1  TYR   5           HD1      TYR   5   0.981   5.766 -10.633
   31    HD2  TYR   5           HD2      TYR   5   1.865   9.869  -9.612
   32    HE1  TYR   5           HE1      TYR   5  -0.295   5.514  -8.572
   33    HE2  TYR   5           HE2      TYR   5   0.577   9.621  -7.521
   34    HH   TYR   5           HH       TYR   5  -1.049   8.196  -6.424
   35    H    SER   6           H        SER   6   2.528   5.004 -14.227
   36    HA   SER   6           HA       SER   6   2.460   2.822 -12.754
   37   1HB   SER   6          1HB       SER   6   4.184   2.993 -15.227
   38   2HB   SER   6          2HB       SER   6   3.155   1.657 -14.679
   39    HG   SER   6           HG       SER   6   1.345   3.211 -14.944
   40    H    ALA   7           H        ALA   7   5.144   4.773 -12.293
   41    HA   ALA   7           HA       ALA   7   7.247   2.788 -11.972
   42   1HB   ALA   7          1HB       ALA   7   6.840   5.526 -10.667
   43   2HB   ALA   7          2HB       ALA   7   8.323   4.548 -10.567
   44   3HB   ALA   7          3HB       ALA   7   7.791   5.194 -12.133
   45    H    ALA   8           H        ALA   8   7.383   1.335 -10.356
   46    HA   ALA   8           HA       ALA   8   5.404   0.407  -8.881
   47   1HB   ALA   8          1HB       ALA   8   8.308   0.414  -7.975
   48   2HB   ALA   8          2HB       ALA   8   7.048  -0.708  -7.415
   49   3HB   ALA   8          3HB       ALA   8   7.553  -0.728  -9.116
   50    HA   PRO   9           HA       PRO   9   4.719   3.779  -6.018
   51   1HB   PRO   9          1HB       PRO   9   2.488   2.922  -4.731
   52   2HB   PRO   9          2HB       PRO   9   2.463   3.567  -6.399
   53   1HG   PRO   9          1HG       PRO   9   2.467   0.664  -5.528
   54   2HG   PRO   9          2HG       PRO   9   1.490   1.442  -6.814
   55   1HD   PRO   9          1HD       PRO   9   3.779   0.050  -7.350
   56   2HD   PRO   9          2HD       PRO   9   3.294   1.482  -8.309
   57    H    ARG  10           H        ARG  10   6.418   3.655  -4.737
   58    HA   ARG  10           HA       ARG  10   6.045   2.906  -1.989
   59   1HB   ARG  10          1HB       ARG  10   8.154   1.656  -1.756
   60   2HB   ARG  10          2HB       ARG  10   6.864   0.828  -2.564
   61   1HG   ARG  10          1HG       ARG  10   8.506   0.206  -4.052
   62   2HG   ARG  10          2HG       ARG  10   8.267   1.802  -4.755
   63   1HD   ARG  10          1HD       ARG  10  10.073   2.590  -3.000
   64   2HD   ARG  10          2HD       ARG  10  10.394   0.880  -2.796
   65    HE   ARG  10           HE       ARG  10  11.297   0.737  -4.919
   66   1HH1  ARG  10          1HH1      ARG  10   9.997   4.041  -4.497
   67   2HH1  ARG  10          2HH1      ARG  10  11.104   4.776  -5.579
   68   1HH2  ARG  10          1HH2      ARG  10  12.713   1.708  -6.470
   69   2HH2  ARG  10          2HH2      ARG  10  12.618   3.391  -6.801
   70    H    GLY  11           H        GLY  11   6.703   4.591  -1.100
   71   1HA   GLY  11          1HA       GLY  11   7.357   6.849  -0.839
   72   2HA   GLY  11          2HA       GLY  11   8.956   6.189  -1.146
   73    H    ARG  12           H        ARG  12   6.410   8.088  -2.392
   74    HA   ARG  12           HA       ARG  12   7.960   8.954  -4.705
   75   1HB   ARG  12          1HB       ARG  12   5.284   7.523  -5.120
   76   2HB   ARG  12          2HB       ARG  12   5.960   8.713  -6.237
   77   1HG   ARG  12          1HG       ARG  12   8.096   7.198  -6.195
   78   2HG   ARG  12          2HG       ARG  12   7.003   5.938  -5.620
   79   1HD   ARG  12          1HD       ARG  12   6.511   7.598  -8.154
   80   2HD   ARG  12          2HD       ARG  12   7.468   6.128  -8.143
   81    HE   ARG  12           HE       ARG  12   5.647   4.839  -8.098
   82   1HH1  ARG  12          1HH1      ARG  12   4.400   8.127  -7.416
   83   2HH1  ARG  12          2HH1      ARG  12   2.823   7.712  -8.000
   84   1HH2  ARG  12          1HH2      ARG  12   3.702   4.471  -8.945
   85   2HH2  ARG  12          2HH2      ARG  12   2.392   5.556  -8.801
   86    H    PHE  13           H        PHE  13   7.995  10.872  -3.728
   87    HA   PHE  13           HA       PHE  13   7.417  12.761  -2.603
   88   1HB   PHE  13          1HB       PHE  13   5.571  12.555  -4.956
   89   2HB   PHE  13          2HB       PHE  13   5.808  14.068  -4.060
   90    HD1  PHE  13           HD1      PHE  13   8.357  14.807  -3.762
   91    HD2  PHE  13           HD2      PHE  13   6.898  12.181  -6.865
   92    HE1  PHE  13           HE1      PHE  13  10.373  15.280  -5.121
   93    HE2  PHE  13           HE2      PHE  13   8.921  12.672  -8.219
   94    HZ   PHE  13           HZ       PHE  13  10.661  14.214  -7.345
   95    H    GLY  14           H        GLY  14   6.340  10.550  -1.282
   96   1HA   GLY  14          1HA       GLY  14   4.782  11.284   0.711
   97   2HA   GLY  14          2HA       GLY  14   3.574  11.156  -0.590
   98    H    ILE  15           H        ILE  15   2.889   9.495   1.033
   99    HA   ILE  15           HA       ILE  15   4.069   6.757   0.707
  100    HB   ILE  15           HB       ILE  15   2.325   8.092   2.799
  101   1HG1  ILE  15          1HG1      ILE  15   5.109   6.861   2.985
  102   2HG1  ILE  15          2HG1      ILE  15   4.733   8.577   2.992
  103   1HG2  ILE  15          1HG2      ILE  15   1.432   5.852   2.433
  104   2HG2  ILE  15          2HG2      ILE  15   3.035   5.140   2.595
  105   3HG2  ILE  15          3HG2      ILE  15   2.242   5.918   3.980
  106   1HD1  ILE  15          1HD1      ILE  15   3.422   8.259   5.109
  107   2HD1  ILE  15          2HD1      ILE  15   4.035   6.585   5.170
  108   3HD1  ILE  15          3HD1      ILE  15   5.164   7.942   5.241
  109    HA   PRO  16           HA       PRO  16   0.264   6.778  -1.823
  110   1HB   PRO  16          1HB       PRO  16   1.034   4.880  -3.660
  111   2HB   PRO  16          2HB       PRO  16   1.513   6.596  -3.789
  112   1HG   PRO  16          1HG       PRO  16   3.120   4.297  -2.649
  113   2HG   PRO  16          2HG       PRO  16   3.655   5.552  -3.810
  114   1HD   PRO  16          1HD       PRO  16   4.171   5.732  -1.135
  115   2HD   PRO  16          2HD       PRO  16   3.813   7.182  -2.108
  116    H    PHE  17           H        PHE  17  -0.817   4.369  -2.464
  117    HA   PHE  17           HA       PHE  17  -1.405   3.016  -0.047
  118   1HB   PHE  17          1HB       PHE  17  -2.614   1.471  -1.638
  119   2HB   PHE  17          2HB       PHE  17  -3.004   3.168  -1.795
  120    HD1  PHE  17           HD1      PHE  17  -1.102   0.358  -3.389
  121    HD2  PHE  17           HD2      PHE  17  -2.600   4.392  -3.842
  122    HE1  PHE  17           HE1      PHE  17  -0.530   0.314  -5.788
  123    HE2  PHE  17           HE2      PHE  17  -1.988   4.342  -6.239
  124    HZ   PHE  17           HZ       PHE  17  -0.963   2.304  -7.223
  125    H    PHE  18           H        PHE  18   1.563   2.901  -0.831
  126    HA   PHE  18           HA       PHE  18   2.337   0.463  -1.902
  127   1HB   PHE  18          1HB       PHE  18   4.510   0.931  -1.265
  128   2HB   PHE  18          2HB       PHE  18   3.767   2.502  -1.422
  129    HD1  PHE  18           HD1      PHE  18   4.981  -0.016   0.996
  130    HD2  PHE  18           HD2      PHE  18   3.928   4.113   0.341
  131    HE1  PHE  18           HE1      PHE  18   6.157   0.607   3.082
  132    HE2  PHE  18           HE2      PHE  18   5.228   4.734   2.378
  133    HZ   PHE  18           HZ       PHE  18   6.295   2.992   3.763
  134    HA   PRO  19           HA       PRO  19   2.703  -1.459   2.461
  135   1HB   PRO  19          1HB       PRO  19   0.866  -0.878   4.432
  136   2HB   PRO  19          2HB       PRO  19   2.451  -0.067   4.237
  137   1HG   PRO  19          1HG       PRO  19  -0.250   0.855   3.205
  138   2HG   PRO  19          2HG       PRO  19   0.966   1.801   4.129
  139   1HD   PRO  19          1HD       PRO  19   0.835   2.010   1.490
  140   2HD   PRO  19          2HD       PRO  19   2.429   1.897   2.275
  141    H    VAL  20           H        VAL  20  -0.250  -0.968   0.682
  142    HA   VAL  20           HA       VAL  20  -1.878  -3.110   1.558
  143    HB   VAL  20           HB       VAL  20  -1.303  -1.727  -1.102
  144   1HG1  VAL  20          1HG1      VAL  20  -3.195  -4.045  -0.759
  145   2HG1  VAL  20          2HG1      VAL  20  -3.283  -2.840  -2.091
  146   3HG1  VAL  20          3HG1      VAL  20  -1.869  -3.844  -1.926
  147   1HG2  VAL  20          1HG2      VAL  20  -3.797  -1.799   0.661
  148   2HG2  VAL  20          2HG2      VAL  20  -2.595  -0.488   0.638
  149   3HG2  VAL  20          3HG2      VAL  20  -3.566  -0.816  -0.800
  150    H    HIS  21           H        HIS  21   0.507  -3.093  -1.044
  151    HA   HIS  21           HA       HIS  21   0.334  -5.768  -1.775
  152   1HB   HIS  21          1HB       HIS  21   2.490  -3.679  -1.774
  153   2HB   HIS  21          2HB       HIS  21   2.669  -5.150  -2.732
  154    HD1  HIS  21           HD1      HIS  21   0.004  -5.095  -4.468
  155    HD2  HIS  21           HD2      HIS  21   2.031  -1.664  -3.070
  156    HE1  HIS  21           HE1      HIS  21  -0.809  -3.143  -5.873
  157    H    LEU  22           H        LEU  22   2.429  -4.242   0.578
  158    HA   LEU  22           HA       LEU  22   3.930  -6.598   1.310
  159   1HB   LEU  22          1HB       LEU  22   3.544  -3.915   2.714
  160   2HB   LEU  22          2HB       LEU  22   4.613  -5.184   3.252
  161    HG   LEU  22           HG       LEU  22   6.103  -3.824   2.201
  162   1HD1  LEU  22          1HD1      LEU  22   5.293  -5.540  -0.188
  163   2HD1  LEU  22          2HD1      LEU  22   6.878  -4.824   0.139
  164   3HD1  LEU  22          3HD1      LEU  22   6.266  -6.112   1.192
  165   1HD2  LEU  22          1HD2      LEU  22   5.790  -2.559   0.169
  166   2HD2  LEU  22          2HD2      LEU  22   4.211  -3.302  -0.122
  167   3HD2  LEU  22          3HD2      LEU  22   4.453  -2.239   1.279
  168    H    LYS  23           H        LYS  23   1.130  -4.888   2.958
  169    HA   LYS  23           HA       LYS  23   1.036  -6.900   5.020
  170   1HB   LYS  23          1HB       LYS  23  -0.057  -4.740   5.326
  171   2HB   LYS  23          2HB       LYS  23  -1.160  -5.057   3.973
  172   1HG   LYS  23          1HG       LYS  23  -2.221  -6.863   5.135
  173   2HG   LYS  23          2HG       LYS  23  -1.003  -6.895   6.408
  174   1HD   LYS  23          1HD       LYS  23  -2.851  -4.513   5.964
  175   2HD   LYS  23          2HD       LYS  23  -3.295  -5.920   6.945
  176   1HE   LYS  23          1HE       LYS  23  -1.188  -5.569   8.304
  177   2HE   LYS  23          2HE       LYS  23  -0.951  -4.038   7.448
  178   1HZ   LYS  23          1HZ       LYS  23  -3.101  -3.311   8.334
  179   2HZ   LYS  23          2HZ       LYS  23  -3.295  -4.742   9.121
  180   3HZ   LYS  23          3HZ       LYS  23  -2.085  -3.729   9.557
  181    H    ARG  24           H        ARG  24  -0.191  -6.786   1.695
  182    HA   ARG  24           HA       ARG  24  -1.793  -9.162   1.931
  183   1HB   ARG  24          1HB       ARG  24  -2.178  -7.626   0.158
  184   2HB   ARG  24          2HB       ARG  24  -0.538  -7.705  -0.416
  185   1HG   ARG  24          1HG       ARG  24  -2.572  -9.979  -0.566
  186   2HG   ARG  24          2HG       ARG  24  -2.222  -8.832  -1.848
  187   1HD   ARG  24          1HD       ARG  24  -0.600 -11.175  -0.938
  188   2HD   ARG  24          2HD       ARG  24  -1.027 -10.651  -2.560
  189    HE   ARG  24           HE       ARG  24   0.679  -8.702  -1.350
  190   1HH1  ARG  24          1HH1      ARG  24   0.914 -12.009  -2.596
  191   2HH1  ARG  24          2HH1      ARG  24   2.610 -11.944  -2.884
  192   1HH2  ARG  24          1HH2      ARG  24   2.852  -8.581  -1.634
  193   2HH2  ARG  24          2HH2      ARG  24   3.767  -9.853  -2.389
  194    H    LEU  25           H        LEU  25   1.709  -8.659   1.446
  195    HA   LEU  25           HA       LEU  25   2.250 -11.398   0.727
  196   1HB   LEU  25          1HB       LEU  25   3.863  -9.410   0.475
  197   2HB   LEU  25          2HB       LEU  25   4.090  -9.467   2.208
  198    HG   LEU  25           HG       LEU  25   4.946 -11.786   2.081
  199   1HD1  LEU  25          1HD1      LEU  25   4.755 -11.408  -0.948
  200   2HD1  LEU  25          2HD1      LEU  25   5.631 -12.710  -0.122
  201   3HD1  LEU  25          3HD1      LEU  25   3.885 -12.627   0.031
  202   1HD2  LEU  25          1HD2      LEU  25   7.112 -11.196   1.081
  203   2HD2  LEU  25          2HD2      LEU  25   6.381  -9.798   0.261
  204   3HD2  LEU  25          3HD2      LEU  25   6.476  -9.857   2.037
  205    H    LEU  26           H        LEU  26   2.225  -9.555   3.741
  206    HA   LEU  26           HA       LEU  26   2.906 -11.695   5.504
  207   1HB   LEU  26          1HB       LEU  26   2.986  -9.364   6.151
  208   2HB   LEU  26          2HB       LEU  26   1.238  -9.196   6.042
  209    HG   LEU  26           HG       LEU  26   2.355 -11.322   7.882
  210   1HD1  LEU  26          1HD1      LEU  26   2.280  -8.344   8.550
  211   2HD1  LEU  26          2HD1      LEU  26   2.603  -9.668   9.696
  212   3HD1  LEU  26          3HD1      LEU  26   3.735  -9.355   8.383
  213   1HD2  LEU  26          1HD2      LEU  26  -0.026  -9.401   8.094
  214   2HD2  LEU  26          2HD2      LEU  26  -0.112 -11.136   7.720
  215   3HD2  LEU  26          3HD2      LEU  26   0.427 -10.621   9.305
  216    H    ILE  27           H        ILE  27  -0.349 -10.551   4.493
  217    HA   ILE  27           HA       ILE  27  -1.817 -12.503   5.943
  218    HB   ILE  27           HB       ILE  27  -2.441 -10.914   3.430
  219   1HG1  ILE  27          1HG1      ILE  27  -3.598 -10.695   6.252
  220   2HG1  ILE  27          2HG1      ILE  27  -2.176  -9.797   5.750
  221   1HG2  ILE  27          1HG2      ILE  27  -4.834 -11.575   3.714
  222   2HG2  ILE  27          2HG2      ILE  27  -3.828 -12.956   3.319
  223   3HG2  ILE  27          3HG2      ILE  27  -4.354 -12.712   4.992
  224   1HD1  ILE  27          1HD1      ILE  27  -4.098  -8.359   5.568
  225   2HD1  ILE  27          2HD1      ILE  27  -3.496  -8.707   3.932
  226   3HD1  ILE  27          3HD1      ILE  27  -4.958  -9.515   4.548
  227    H    LEU  28           H        LEU  28  -0.449 -12.652   2.597
  228    HA   LEU  28           HA       LEU  28  -1.356 -15.317   2.054
  229   1HB   LEU  28          1HB       LEU  28  -0.491 -13.572   0.457
  230   2HB   LEU  28          2HB       LEU  28   1.136 -13.994   0.982
  231    HG   LEU  28           HG       LEU  28   0.421 -15.041  -1.082
  232   1HD1  LEU  28          1HD1      LEU  28   1.342 -17.152  -0.783
  233   2HD1  LEU  28          2HD1      LEU  28   2.028 -16.190   0.559
  234   3HD1  LEU  28          3HD1      LEU  28   0.701 -17.334   0.841
  235   1HD2  LEU  28          1HD2      LEU  28  -1.542 -16.774   0.491
  236   2HD2  LEU  28          2HD2      LEU  28  -2.039 -15.389  -0.481
  237   3HD2  LEU  28          3HD2      LEU  28  -1.263 -16.801  -1.243
  238    H    LEU  29           H        LEU  29   1.750 -14.210   3.433
  239    HA   LEU  29           HA       LEU  29   2.835 -16.778   3.851
  240   1HB   LEU  29          1HB       LEU  29   4.079 -14.700   4.106
  241   2HB   LEU  29          2HB       LEU  29   3.166 -14.254   5.542
  242    HG   LEU  29           HG       LEU  29   4.645 -16.894   5.565
  243   1HD1  LEU  29          1HD1      LEU  29   6.722 -15.769   6.269
  244   2HD1  LEU  29          2HD1      LEU  29   6.289 -15.343   4.611
  245   3HD1  LEU  29          3HD1      LEU  29   5.992 -14.183   5.928
  246   1HD2  LEU  29          1HD2      LEU  29   4.221 -14.716   7.684
  247   2HD2  LEU  29          2HD2      LEU  29   3.320 -16.240   7.578
  248   3HD2  LEU  29          3HD2      LEU  29   5.038 -16.275   7.940
  249    H    LEU  30           H        LEU  30   0.476 -15.052   5.894
  250    HA   LEU  30           HA       LEU  30   0.376 -17.117   7.916
  251   1HB   LEU  30          1HB       LEU  30  -0.331 -14.774   8.285
  252   2HB   LEU  30          2HB       LEU  30  -1.635 -14.991   7.133
  253    HG   LEU  30           HG       LEU  30  -2.695 -16.698   8.587
  254   1HD1  LEU  30          1HD1      LEU  30  -1.908 -16.933  10.947
  255   2HD1  LEU  30          2HD1      LEU  30  -0.760 -17.600   9.791
  256   3HD1  LEU  30          3HD1      LEU  30  -0.439 -16.016  10.536
  257   1HD2  LEU  30          1HD2      LEU  30  -3.452 -15.141  10.323
  258   2HD2  LEU  30          2HD2      LEU  30  -2.072 -14.069   9.992
  259   3HD2  LEU  30          3HD2      LEU  30  -3.327 -14.328   8.757
  260    H    LEU  31           H        LEU  31  -1.612 -16.364   5.044
  261    HA   LEU  31           HA       LEU  31  -2.762 -19.064   5.078
  262   1HB   LEU  31          1HB       LEU  31  -4.332 -17.497   6.186
  263   2HB   LEU  31          2HB       LEU  31  -4.276 -16.449   4.765
  264    HG   LEU  31           HG       LEU  31  -5.294 -18.270   3.392
  265   1HD1  LEU  31          1HD1      LEU  31  -6.343 -20.214   4.560
  266   2HD1  LEU  31          2HD1      LEU  31  -4.583 -20.277   4.616
  267   3HD1  LEU  31          3HD1      LEU  31  -5.492 -19.757   6.051
  268   1HD2  LEU  31          1HD2      LEU  31  -6.700 -16.547   4.450
  269   2HD2  LEU  31          2HD2      LEU  31  -7.548 -18.097   4.355
  270   3HD2  LEU  31          3HD2      LEU  31  -6.863 -17.559   5.905
  271   1HN   NH2  32          1HN       NH2  32  -1.086 -19.417   3.531
  272   2HN   NH2  32          2HN       NH2  32  -1.376 -18.959   1.867
  Start of MODEL   12
    1   1H    SER   1          1H        SER   1 -15.335  22.027  -8.835
    2   2H    SER   1          2H        SER   1 -15.907  23.497  -8.350
    3   3H    SER   1          3H        SER   1 -15.983  23.036  -9.956
    4    HA   SER   1           HA       SER   1 -14.152  24.616  -9.452
    5   1HB   SER   1          1HB       SER   1 -12.178  23.398  -8.312
    6   2HB   SER   1          2HB       SER   1 -13.555  23.778  -7.270
    7    HG   SER   1           HG       SER   1 -12.615  21.331  -8.180
    8    HA   PRO   2           HA       PRO   2 -12.039  22.051 -12.758
    9   1HB   PRO   2          1HB       PRO   2  -9.372  22.543 -12.254
   10   2HB   PRO   2          2HB       PRO   2 -10.413  23.676 -13.169
   11   1HG   PRO   2          1HG       PRO   2  -9.693  23.752 -10.219
   12   2HG   PRO   2          2HG       PRO   2  -9.602  25.089 -11.412
   13   1HD   PRO   2          1HD       PRO   2 -11.727  24.842  -9.756
   14   2HD   PRO   2          2HD       PRO   2 -11.955  25.335 -11.452
   15    HA   PRO   3           HA       PRO   3 -10.998  18.584 -10.077
   16   1HB   PRO   3          1HB       PRO   3  -9.161  17.126 -11.493
   17   2HB   PRO   3          2HB       PRO   3 -10.878  17.253 -11.989
   18   1HG   PRO   3          1HG       PRO   3  -8.520  18.878 -12.996
   19   2HG   PRO   3          2HG       PRO   3  -9.766  18.025 -13.965
   20   1HD   PRO   3          1HD       PRO   3  -9.942  20.681 -13.429
   21   2HD   PRO   3          2HD       PRO   3 -11.406  19.654 -13.455
   22    H    ASP   4           H        ASP   4  -8.998  17.479  -8.983
   23    HA   ASP   4           HA       ASP   4  -7.051  19.550  -8.254
   24   1HB   ASP   4          1HB       ASP   4  -7.269  18.804  -6.056
   25   2HB   ASP   4          2HB       ASP   4  -8.928  18.868  -6.644
   26    H    TYR   5           H        TYR   5  -5.491  17.684  -6.629
   27    HA   TYR   5           HA       TYR   5  -4.081  16.209  -8.772
   28   1HB   TYR   5          1HB       TYR   5  -2.034  16.998  -7.610
   29   2HB   TYR   5          2HB       TYR   5  -2.972  18.269  -8.359
   30    HD1  TYR   5           HD1      TYR   5  -3.688  20.152  -7.089
   31    HD2  TYR   5           HD2      TYR   5  -2.293  16.622  -5.030
   32    HE1  TYR   5           HE1      TYR   5  -3.750  21.381  -4.952
   33    HE2  TYR   5           HE2      TYR   5  -2.371  17.848  -2.881
   34    HH   TYR   5           HH       TYR   5  -3.547  21.200  -2.621
   35    H    SER   6           H        SER   6  -5.864  15.480  -6.048
   36    HA   SER   6           HA       SER   6  -4.072  14.062  -4.420
   37   1HB   SER   6          1HB       SER   6  -7.065  13.682  -4.772
   38   2HB   SER   6          2HB       SER   6  -6.086  13.147  -3.388
   39    HG   SER   6           HG       SER   6  -6.771  15.735  -4.248
   40    H    ALA   7           H        ALA   7  -4.144  13.132  -7.420
   41    HA   ALA   7           HA       ALA   7  -4.914  10.331  -7.383
   42   1HB   ALA   7          1HB       ALA   7  -3.489  10.179  -9.415
   43   2HB   ALA   7          2HB       ALA   7  -4.611  11.554  -9.518
   44   3HB   ALA   7          3HB       ALA   7  -2.895  11.829  -9.123
   45    H    ALA   8           H        ALA   8  -3.703   8.630  -6.693
   46    HA   ALA   8           HA       ALA   8  -2.109   8.696  -4.578
   47   1HB   ALA   8          1HB       ALA   8  -1.394   6.409  -5.081
   48   2HB   ALA   8          2HB       ALA   8  -3.108   6.658  -5.455
   49   3HB   ALA   8          3HB       ALA   8  -1.907   6.608  -6.770
   50    HA   PRO   9           HA       PRO   9   1.476  10.695  -6.430
   51   1HB   PRO   9          1HB       PRO   9   2.784  11.537  -4.184
   52   2HB   PRO   9          2HB       PRO   9   1.284  12.294  -4.787
   53   1HG   PRO   9          1HG       PRO   9   1.531  10.186  -2.617
   54   2HG   PRO   9          2HG       PRO   9   0.621  11.731  -2.566
   55   1HD   PRO   9          1HD       PRO   9  -0.573   9.361  -3.184
   56   2HD   PRO   9          2HD       PRO   9  -1.069  10.887  -3.980
   57    H    ARG  10           H        ARG  10   3.372   9.907  -7.118
   58    HA   ARG  10           HA       ARG  10   5.046   8.183  -5.528
   59   1HB   ARG  10          1HB       ARG  10   5.169   6.436  -7.440
   60   2HB   ARG  10          2HB       ARG  10   3.870   6.353  -6.270
   61   1HG   ARG  10          1HG       ARG  10   3.019   5.817  -8.440
   62   2HG   ARG  10          2HG       ARG  10   2.269   7.294  -7.864
   63   1HD   ARG  10          1HD       ARG  10   3.772   8.620  -9.350
   64   2HD   ARG  10          2HD       ARG  10   4.505   7.103  -9.925
   65    HE   ARG  10           HE       ARG  10   1.624   7.174 -10.165
   66   1HH1  ARG  10          1HH1      ARG  10   4.566   8.364 -11.733
   67   2HH1  ARG  10          2HH1      ARG  10   3.875   8.520 -13.305
   68   1HH2  ARG  10          1HH2      ARG  10   0.653   7.384 -12.279
   69   2HH2  ARG  10          2HH2      ARG  10   1.575   7.953 -13.610
   70    H    GLY  11           H        GLY  11   7.196   7.961  -6.597
   71   1HA   GLY  11          1HA       GLY  11   8.963   8.765  -7.766
   72   2HA   GLY  11          2HA       GLY  11   7.855   9.300  -9.037
   73    H    ARG  12           H        ARG  12   6.853  10.785  -6.262
   74    HA   ARG  12           HA       ARG  12   8.795  12.937  -5.992
   75   1HB   ARG  12          1HB       ARG  12   5.946  13.397  -7.013
   76   2HB   ARG  12          2HB       ARG  12   6.863  14.615  -6.123
   77   1HG   ARG  12          1HG       ARG  12   8.600  14.637  -7.885
   78   2HG   ARG  12          2HG       ARG  12   7.712  13.394  -8.778
   79   1HD   ARG  12          1HD       ARG  12   7.255  15.546  -9.757
   80   2HD   ARG  12          2HD       ARG  12   5.782  14.907  -9.044
   81    HE   ARG  12           HE       ARG  12   7.426  17.200  -8.158
   82   1HH1  ARG  12          1HH1      ARG  12   4.528  15.253  -7.498
   83   2HH1  ARG  12          2HH1      ARG  12   3.742  16.454  -6.549
   84   1HH2  ARG  12          1HH2      ARG  12   6.378  18.828  -6.881
   85   2HH2  ARG  12          2HH2      ARG  12   4.837  18.532  -6.183
   86    H    PHE  13           H        PHE  13   9.006  12.172  -3.939
   87    HA   PHE  13           HA       PHE  13   8.387  11.246  -1.865
   88   1HB   PHE  13          1HB       PHE  13   7.672  14.192  -1.905
   89   2HB   PHE  13          2HB       PHE  13   8.043  13.247  -0.464
   90    HD1  PHE  13           HD1      PHE  13  10.357  12.164  -0.238
   91    HD2  PHE  13           HD2      PHE  13   9.446  15.145  -3.225
   92    HE1  PHE  13           HE1      PHE  13  12.778  12.562  -0.589
   93    HE2  PHE  13           HE2      PHE  13  11.876  15.531  -3.567
   94    HZ   PHE  13           HZ       PHE  13  13.539  14.238  -2.255
   95    H    GLY  14           H        GLY  14   6.602   9.740  -2.433
   96   1HA   GLY  14          1HA       GLY  14   4.065  10.570  -1.261
   97   2HA   GLY  14          2HA       GLY  14   4.053  10.192  -2.997
   98    H    ILE  15           H        ILE  15   2.618   8.753  -1.113
   99    HA   ILE  15           HA       ILE  15   3.857   6.043  -1.001
  100    HB   ILE  15           HB       ILE  15   2.475   7.685   1.139
  101   1HG1  ILE  15          1HG1      ILE  15   5.137   6.193   1.117
  102   2HG1  ILE  15          2HG1      ILE  15   4.931   7.929   0.939
  103   1HG2  ILE  15          1HG2      ILE  15   2.870   4.669   1.131
  104   2HG2  ILE  15          2HG2      ILE  15   2.427   5.628   2.560
  105   3HG2  ILE  15          3HG2      ILE  15   1.344   5.546   1.190
  106   1HD1  ILE  15          1HD1      ILE  15   5.606   7.545   3.177
  107   2HD1  ILE  15          2HD1      ILE  15   3.899   8.025   3.223
  108   3HD1  ILE  15          3HD1      ILE  15   4.363   6.317   3.442
  109    HA   PRO  16           HA       PRO  16  -0.232   5.904  -3.013
  110   1HB   PRO  16          1HB       PRO  16   0.250   3.866  -4.769
  111   2HB   PRO  16          2HB       PRO  16   0.849   5.524  -5.074
  112   1HG   PRO  16          1HG       PRO  16   2.368   3.198  -3.878
  113   2HG   PRO  16          2HG       PRO  16   2.881   4.283  -5.207
  114   1HD   PRO  16          1HD       PRO  16   3.651   4.667  -2.604
  115   2HD   PRO  16          2HD       PRO  16   3.367   6.038  -3.708
  116    H    PHE  17           H        PHE  17  -1.382   3.421  -3.322
  117    HA   PHE  17           HA       PHE  17  -1.661   2.319  -0.708
  118   1HB   PHE  17          1HB       PHE  17  -3.077   0.649  -1.973
  119   2HB   PHE  17          2HB       PHE  17  -3.495   2.329  -2.204
  120    HD1  PHE  17           HD1      PHE  17  -3.556   3.316  -4.377
  121    HD2  PHE  17           HD2      PHE  17  -1.701  -0.556  -3.840
  122    HE1  PHE  17           HE1      PHE  17  -3.326   3.072  -6.830
  123    HE2  PHE  17           HE2      PHE  17  -1.472  -0.779  -6.281
  124    HZ   PHE  17           HZ       PHE  17  -2.279   1.030  -7.791
  125    H    PHE  18           H        PHE  18   1.197   2.116  -1.779
  126    HA   PHE  18           HA       PHE  18   1.803  -0.407  -2.798
  127   1HB   PHE  18          1HB       PHE  18   4.050   0.032  -2.443
  128   2HB   PHE  18          2HB       PHE  18   3.346   1.616  -2.602
  129    HD1  PHE  18           HD1      PHE  18   4.807  -0.805  -0.248
  130    HD2  PHE  18           HD2      PHE  18   3.594   3.293  -0.842
  131    HE1  PHE  18           HE1      PHE  18   6.077  -0.143   1.770
  132    HE2  PHE  18           HE2      PHE  18   4.952   3.946   1.146
  133    HZ   PHE  18           HZ       PHE  18   6.151   2.243   2.461
  134    HA   PRO  19           HA       PRO  19   2.589  -2.099   1.589
  135   1HB   PRO  19          1HB       PRO  19   1.077  -1.325   3.746
  136   2HB   PRO  19          2HB       PRO  19   2.626  -0.561   3.272
  137   1HG   PRO  19          1HG       PRO  19  -0.185   0.342   2.556
  138   2HG   PRO  19          2HG       PRO  19   1.149   1.322   3.256
  139   1HD   PRO  19          1HD       PRO  19   0.687   1.368   0.643
  140   2HD   PRO  19          2HD       PRO  19   2.361   1.280   1.240
  141    H    VAL  20           H        VAL  20  -0.494  -1.622   0.089
  142    HA   VAL  20           HA       VAL  20  -2.117  -3.576   1.350
  143    HB   VAL  20           HB       VAL  20  -1.792  -2.474  -1.478
  144   1HG1  VAL  20          1HG1      VAL  20  -3.716  -4.663  -0.711
  145   2HG1  VAL  20          2HG1      VAL  20  -3.913  -3.579  -2.134
  146   3HG1  VAL  20          3HG1      VAL  20  -2.526  -4.630  -2.032
  147   1HG2  VAL  20          1HG2      VAL  20  -3.985  -1.447  -1.011
  148   2HG2  VAL  20          2HG2      VAL  20  -4.064  -2.275   0.557
  149   3HG2  VAL  20          3HG2      VAL  20  -2.835  -1.024   0.262
  150    H    HIS  21           H        HIS  21  -0.050  -3.945  -1.485
  151    HA   HIS  21           HA       HIS  21  -0.413  -6.671  -1.899
  152   1HB   HIS  21          1HB       HIS  21   1.815  -4.725  -2.399
  153   2HB   HIS  21          2HB       HIS  21   1.771  -6.297  -3.212
  154    HD1  HIS  21           HD1      HIS  21  -0.811  -6.353  -4.812
  155    HD2  HIS  21           HD2      HIS  21   0.933  -2.734  -3.521
  156    HE1  HIS  21           HE1      HIS  21  -1.913  -4.493  -6.153
  157    H    LEU  22           H        LEU  22   2.082  -5.005  -0.041
  158    HA   LEU  22           HA       LEU  22   3.515  -7.359   0.777
  159   1HB   LEU  22          1HB       LEU  22   3.431  -4.547   1.948
  160   2HB   LEU  22          2HB       LEU  22   4.523  -5.820   2.441
  161    HG   LEU  22           HG       LEU  22   5.904  -4.645   1.064
  162   1HD1  LEU  22          1HD1      LEU  22   4.640  -6.458  -1.044
  163   2HD1  LEU  22          2HD1      LEU  22   6.283  -5.809  -1.031
  164   3HD1  LEU  22          3HD1      LEU  22   5.803  -6.994   0.195
  165   1HD2  LEU  22          1HD2      LEU  22   4.214  -3.018   0.300
  166   2HD2  LEU  22          2HD2      LEU  22   5.335  -3.491  -0.979
  167   3HD2  LEU  22          3HD2      LEU  22   3.695  -4.151  -0.967
  168    H    LYS  23           H        LYS  23   0.990  -5.355   2.515
  169    HA   LYS  23           HA       LYS  23   1.093  -7.080   4.824
  170   1HB   LYS  23          1HB       LYS  23   0.118  -4.844   4.946
  171   2HB   LYS  23          2HB       LYS  23  -1.150  -5.284   3.790
  172   1HG   LYS  23          1HG       LYS  23  -2.151  -6.827   5.306
  173   2HG   LYS  23          2HG       LYS  23  -0.773  -6.807   6.406
  174   1HD   LYS  23          1HD       LYS  23  -2.518  -4.359   5.902
  175   2HD   LYS  23          2HD       LYS  23  -2.878  -5.583   7.133
  176   1HE   LYS  23          1HE       LYS  23  -0.573  -5.217   8.101
  177   2HE   LYS  23          2HE       LYS  23  -0.369  -3.856   6.990
  178   1HZ   LYS  23          1HZ       LYS  23  -2.292  -2.809   8.053
  179   2HZ   LYS  23          2HZ       LYS  23  -2.463  -4.090   9.075
  180   3HZ   LYS  23          3HZ       LYS  23  -1.130  -3.142   9.166
  181    H    ARG  24           H        ARG  24  -0.530  -7.286   1.691
  182    HA   ARG  24           HA       ARG  24  -2.135  -9.572   2.386
  183   1HB   ARG  24          1HB       ARG  24  -2.730  -8.187   0.513
  184   2HB   ARG  24          2HB       ARG  24  -1.198  -8.465  -0.280
  185   1HG   ARG  24          1HG       ARG  24  -2.633 -11.008   0.220
  186   2HG   ARG  24          2HG       ARG  24  -3.611  -9.849  -0.656
  187   1HD   ARG  24          1HD       ARG  24  -2.435 -11.190  -2.270
  188   2HD   ARG  24          2HD       ARG  24  -1.845  -9.540  -2.341
  189    HE   ARG  24           HE       ARG  24   0.225 -10.166  -1.492
  190   1HH1  ARG  24          1HH1      ARG  24  -1.926 -12.981  -1.342
  191   2HH1  ARG  24          2HH1      ARG  24  -0.680 -14.161  -1.471
  192   1HH2  ARG  24          1HH2      ARG  24   1.927 -11.739  -1.727
  193   2HH2  ARG  24          2HH2      ARG  24   1.579 -13.423  -1.639
  194    H    LEU  25           H        LEU  25   1.224  -9.210   1.271
  195    HA   LEU  25           HA       LEU  25   1.708 -12.018   0.864
  196   1HB   LEU  25          1HB       LEU  25   3.125  -9.989   0.141
  197   2HB   LEU  25          2HB       LEU  25   3.768  -9.963   1.776
  198    HG   LEU  25           HG       LEU  25   3.903 -12.417  -0.024
  199   1HD1  LEU  25          1HD1      LEU  25   6.209 -11.724  -0.552
  200   2HD1  LEU  25          2HD1      LEU  25   5.048 -10.513  -1.106
  201   3HD1  LEU  25          3HD1      LEU  25   5.988 -10.229   0.376
  202   1HD2  LEU  25          1HD2      LEU  25   4.343 -13.032   2.300
  203   2HD2  LEU  25          2HD2      LEU  25   5.874 -12.993   1.450
  204   3HD2  LEU  25          3HD2      LEU  25   5.432 -11.643   2.511
  205    H    LEU  26           H        LEU  26   2.179  -9.833   3.651
  206    HA   LEU  26           HA       LEU  26   3.061 -11.798   5.484
  207   1HB   LEU  26          1HB       LEU  26   3.278  -9.407   5.826
  208   2HB   LEU  26          2HB       LEU  26   1.538  -9.197   5.976
  209    HG   LEU  26           HG       LEU  26   2.912 -11.117   7.867
  210   1HD1  LEU  26          1HD1      LEU  26   3.471  -9.261   9.395
  211   2HD1  LEU  26          2HD1      LEU  26   4.378  -9.147   7.888
  212   3HD1  LEU  26          3HD1      LEU  26   2.980  -8.080   8.158
  213   1HD2  LEU  26          1HD2      LEU  26   0.456 -10.876   8.080
  214   2HD2  LEU  26          2HD2      LEU  26   1.249 -10.184   9.480
  215   3HD2  LEU  26          3HD2      LEU  26   0.618  -9.113   8.210
  216    H    ILE  27           H        ILE  27  -0.307 -10.668   4.896
  217    HA   ILE  27           HA       ILE  27  -1.508 -12.407   6.801
  218    HB   ILE  27           HB       ILE  27  -2.551 -11.024   4.308
  219   1HG1  ILE  27          1HG1      ILE  27  -3.150 -10.576   7.277
  220   2HG1  ILE  27          2HG1      ILE  27  -1.873  -9.727   6.420
  221   1HG2  ILE  27          1HG2      ILE  27  -4.867 -11.596   5.037
  222   2HG2  ILE  27          2HG2      ILE  27  -3.963 -13.032   4.594
  223   3HG2  ILE  27          3HG2      ILE  27  -4.197 -12.644   6.306
  224   1HD1  ILE  27          1HD1      ILE  27  -4.852  -9.518   5.848
  225   2HD1  ILE  27          2HD1      ILE  27  -3.780  -8.283   6.514
  226   3HD1  ILE  27          3HD1      ILE  27  -3.581  -8.803   4.826
  227    H    LEU  28           H        LEU  28  -0.698 -12.962   3.316
  228    HA   LEU  28           HA       LEU  28  -1.786 -15.623   3.267
  229   1HB   LEU  28          1HB       LEU  28  -1.178 -14.115   1.336
  230   2HB   LEU  28          2HB       LEU  28   0.503 -14.574   1.602
  231    HG   LEU  28           HG       LEU  28  -0.641 -15.798  -0.142
  232   1HD1  LEU  28          1HD1      LEU  28   0.234 -17.922   0.224
  233   2HD1  LEU  28          2HD1      LEU  28   1.214 -16.860   1.275
  234   3HD1  LEU  28          3HD1      LEU  28  -0.072 -17.880   1.950
  235   1HD2  LEU  28          1HD2      LEU  28  -2.316 -17.235   1.966
  236   2HD2  LEU  28          2HD2      LEU  28  -2.949 -15.914   0.976
  237   3HD2  LEU  28          3HD2      LEU  28  -2.408 -17.440   0.227
  238    H    LEU  29           H        LEU  29   1.523 -14.494   3.918
  239    HA   LEU  29           HA       LEU  29   2.676 -16.995   4.471
  240   1HB   LEU  29          1HB       LEU  29   3.977 -14.919   4.379
  241   2HB   LEU  29          2HB       LEU  29   3.197 -14.335   5.849
  242    HG   LEU  29           HG       LEU  29   4.222 -16.178   7.159
  243   1HD1  LEU  29          1HD1      LEU  29   4.506 -17.911   5.443
  244   2HD1  LEU  29          2HD1      LEU  29   5.629 -16.871   4.531
  245   3HD1  LEU  29          3HD1      LEU  29   6.073 -17.504   6.133
  246   1HD2  LEU  29          1HD2      LEU  29   5.333 -13.990   6.972
  247   2HD2  LEU  29          2HD2      LEU  29   6.514 -15.299   7.100
  248   3HD2  LEU  29          3HD2      LEU  29   6.206 -14.541   5.522
  249    H    LEU  30           H        LEU  30   0.864 -14.892   6.759
  250    HA   LEU  30           HA       LEU  30   0.913 -16.677   8.971
  251   1HB   LEU  30          1HB       LEU  30   0.284 -14.281   9.057
  252   2HB   LEU  30          2HB       LEU  30  -1.182 -14.644   8.167
  253    HG   LEU  30           HG       LEU  30  -2.019 -16.058  10.015
  254   1HD1  LEU  30          1HD1      LEU  30   0.527 -15.178  11.465
  255   2HD1  LEU  30          2HD1      LEU  30  -0.874 -15.959  12.236
  256   3HD1  LEU  30          3HD1      LEU  30   0.063 -16.844  11.039
  257   1HD2  LEU  30          1HD2      LEU  30  -1.144 -13.273  10.888
  258   2HD2  LEU  30          2HD2      LEU  30  -2.581 -13.664   9.911
  259   3HD2  LEU  30          3HD2      LEU  30  -2.472 -14.228  11.584
  260    H    LEU  31           H        LEU  31  -1.391 -16.350   6.301
  261    HA   LEU  31           HA       LEU  31  -3.205 -18.419   7.067
  262   1HB   LEU  31          1HB       LEU  31  -3.599 -16.571   5.437
  263   2HB   LEU  31          2HB       LEU  31  -2.655 -17.470   4.257
  264    HG   LEU  31           HG       LEU  31  -4.779 -19.112   5.528
  265   1HD1  LEU  31          1HD1      LEU  31  -5.951 -16.964   5.606
  266   2HD1  LEU  31          2HD1      LEU  31  -5.612 -16.690   3.881
  267   3HD1  LEU  31          3HD1      LEU  31  -6.666 -18.031   4.391
  268   1HD2  LEU  31          1HD2      LEU  31  -3.527 -19.755   3.438
  269   2HD2  LEU  31          2HD2      LEU  31  -5.279 -19.737   3.230
  270   3HD2  LEU  31          3HD2      LEU  31  -4.301 -18.397   2.593
  271   1HN   NH2  32          1HN       NH2  32   0.070 -18.738   5.976
  272   2HN   NH2  32          2HN       NH2  32  -0.038 -20.450   5.613
  Start of MODEL   13
    1   1H    SER   1          1H        SER   1 -15.292   2.377  -9.638
    2   2H    SER   1          2H        SER   1 -16.244   1.029  -9.698
    3   3H    SER   1          3H        SER   1 -16.879   2.509  -9.252
    4    HA   SER   1           HA       SER   1 -16.483   1.060  -7.320
    5   1HB   SER   1          1HB       SER   1 -14.003   0.809  -6.746
    6   2HB   SER   1          2HB       SER   1 -14.517  -0.102  -8.172
    7    HG   SER   1           HG       SER   1 -12.881   2.140  -7.952
    8    HA   PRO   2           HA       PRO   2 -15.242   5.113  -5.396
    9   1HB   PRO   2          1HB       PRO   2 -13.852   4.318  -3.157
   10   2HB   PRO   2          2HB       PRO   2 -15.641   4.331  -3.230
   11   1HG   PRO   2          1HG       PRO   2 -13.764   1.988  -3.699
   12   2HG   PRO   2          2HG       PRO   2 -15.211   2.048  -2.638
   13   1HD   PRO   2          1HD       PRO   2 -15.346   1.014  -5.140
   14   2HD   PRO   2          2HD       PRO   2 -16.681   1.999  -4.491
   15    HA   PRO   3           HA       PRO   3 -10.972   5.081  -6.894
   16   1HB   PRO   3          1HB       PRO   3  -9.857   7.273  -5.722
   17   2HB   PRO   3          2HB       PRO   3 -11.196   7.426  -6.898
   18   1HG   PRO   3          1HG       PRO   3 -11.381   7.397  -3.865
   19   2HG   PRO   3          2HG       PRO   3 -12.088   8.593  -4.999
   20   1HD   PRO   3          1HD       PRO   3 -13.525   6.486  -4.012
   21   2HD   PRO   3          2HD       PRO   3 -13.774   7.088  -5.678
   22    H    ASP   4           H        ASP   4  -8.534   5.382  -5.699
   23    HA   ASP   4           HA       ASP   4  -8.492   3.305  -3.685
   24   1HB   ASP   4          1HB       ASP   4  -6.197   3.290  -3.851
   25   2HB   ASP   4          2HB       ASP   4  -6.741   3.486  -5.506
   26    H    TYR   5           H        TYR   5  -8.883   3.803  -1.736
   27    HA   TYR   5           HA       TYR   5  -9.368   6.306  -0.619
   28   1HB   TYR   5          1HB       TYR   5  -9.487   5.208   1.509
   29   2HB   TYR   5          2HB       TYR   5 -10.116   4.101   0.301
   30    HD1  TYR   5           HD1      TYR   5  -7.366   4.805   2.666
   31    HD2  TYR   5           HD2      TYR   5  -8.860   2.007  -0.265
   32    HE1  TYR   5           HE1      TYR   5  -5.694   3.155   3.403
   33    HE2  TYR   5           HE2      TYR   5  -7.171   0.345   0.465
   34    HH   TYR   5           HH       TYR   5  -4.725   1.120   2.955
   35    H    SER   6           H        SER   6  -6.265   5.096  -1.359
   36    HA   SER   6           HA       SER   6  -4.847   6.636   0.750
   37   1HB   SER   6          1HB       SER   6  -3.853   4.617  -1.285
   38   2HB   SER   6          2HB       SER   6  -2.901   5.338   0.030
   39    HG   SER   6           HG       SER   6  -5.280   4.003   0.667
   40    H    ALA   7           H        ALA   7  -6.290   8.050  -1.183
   41    HA   ALA   7           HA       ALA   7  -5.238   8.704  -3.602
   42   1HB   ALA   7          1HB       ALA   7  -7.462   9.309  -2.749
   43   2HB   ALA   7          2HB       ALA   7  -6.725  10.542  -1.691
   44   3HB   ALA   7          3HB       ALA   7  -6.629  10.704  -3.457
   45    H    ALA   8           H        ALA   8  -3.267   9.108  -1.095
   46    HA   ALA   8           HA       ALA   8  -2.168  11.733  -1.225
   47   1HB   ALA   8          1HB       ALA   8  -1.775  10.124   0.627
   48   2HB   ALA   8          2HB       ALA   8  -0.994   9.002  -0.510
   49   3HB   ALA   8          3HB       ALA   8  -0.223  10.544  -0.119
   50    HA   PRO   9           HA       PRO   9   0.064  11.695  -4.987
   51   1HB   PRO   9          1HB       PRO   9   2.570  12.733  -4.361
   52   2HB   PRO   9          2HB       PRO   9   1.068  13.681  -4.556
   53   1HG   PRO   9          1HG       PRO   9   2.305  12.647  -1.992
   54   2HG   PRO   9          2HG       PRO   9   1.648  14.280  -2.330
   55   1HD   PRO   9          1HD       PRO   9   0.177  12.448  -1.017
   56   2HD   PRO   9          2HD       PRO   9  -0.594  13.489  -2.243
   57    H    ARG  10           H        ARG  10   1.909  10.797  -6.187
   58    HA   ARG  10           HA       ARG  10   3.215   8.466  -4.996
   59   1HB   ARG  10          1HB       ARG  10   2.142   6.977  -6.746
   60   2HB   ARG  10          2HB       ARG  10   1.093   7.555  -5.465
   61   1HG   ARG  10          1HG       ARG  10   0.430   9.453  -7.269
   62   2HG   ARG  10          2HG       ARG  10   1.075   8.272  -8.395
   63   1HD   ARG  10          1HD       ARG  10  -1.329   8.022  -8.175
   64   2HD   ARG  10          2HD       ARG  10  -0.538   6.591  -7.494
   65    HE   ARG  10           HE       ARG  10  -1.034   8.490  -5.387
   66   1HH1  ARG  10          1HH1      ARG  10  -3.025   6.534  -7.623
   67   2HH1  ARG  10          2HH1      ARG  10  -4.225   6.251  -6.392
   68   1HH2  ARG  10          1HH2      ARG  10  -2.610   7.916  -3.792
   69   2HH2  ARG  10          2HH2      ARG  10  -3.886   6.822  -4.221
   70    H    GLY  11           H        GLY  11   4.992   7.813  -6.267
   71   1HA   GLY  11          1HA       GLY  11   6.758   8.103  -7.666
   72   2HA   GLY  11          2HA       GLY  11   5.666   8.837  -8.852
   73    H    ARG  12           H        ARG  12   5.362  10.627  -6.090
   74    HA   ARG  12           HA       ARG  12   7.660  12.418  -6.268
   75   1HB   ARG  12          1HB       ARG  12   4.741  13.296  -6.588
   76   2HB   ARG  12          2HB       ARG  12   6.064  14.377  -6.194
   77   1HG   ARG  12          1HG       ARG  12   5.765  12.862  -8.827
   78   2HG   ARG  12          2HG       ARG  12   5.280  14.522  -8.519
   79   1HD   ARG  12          1HD       ARG  12   7.320  14.774  -9.598
   80   2HD   ARG  12          2HD       ARG  12   7.729  15.009  -7.887
   81    HE   ARG  12           HE       ARG  12   7.967  12.261  -8.575
   82   1HH1  ARG  12          1HH1      ARG  12   9.705  15.266  -9.296
   83   2HH1  ARG  12          2HH1      ARG  12  11.208  14.489  -9.626
   84   1HH2  ARG  12          1HH2      ARG  12   9.856  11.229  -8.979
   85   2HH2  ARG  12          2HH2      ARG  12  11.310  12.059  -9.431
   86    H    PHE  13           H        PHE  13   8.171  11.628  -4.319
   87    HA   PHE  13           HA       PHE  13   7.920  10.816  -2.130
   88   1HB   PHE  13          1HB       PHE  13   7.638  13.828  -2.102
   89   2HB   PHE  13          2HB       PHE  13   8.256  12.838  -0.782
   90    HD1  PHE  13           HD1      PHE  13   9.173  14.765  -3.632
   91    HD2  PHE  13           HD2      PHE  13  10.333  11.285  -1.353
   92    HE1  PHE  13           HE1      PHE  13  11.464  14.898  -4.577
   93    HE2  PHE  13           HE2      PHE  13  12.613  11.424  -2.313
   94    HZ   PHE  13           HZ       PHE  13  13.184  13.225  -3.924
   95    H    GLY  14           H        GLY  14   5.825   9.594  -2.160
   96   1HA   GLY  14          1HA       GLY  14   4.078  10.641  -0.147
   97   2HA   GLY  14          2HA       GLY  14   3.310  10.552  -1.741
   98    H    ILE  15           H        ILE  15   2.243   8.993   0.163
   99    HA   ILE  15           HA       ILE  15   3.254   6.193  -0.192
  100    HB   ILE  15           HB       ILE  15   2.050   7.538   2.242
  101   1HG1  ILE  15          1HG1      ILE  15   4.868   6.461   1.782
  102   2HG1  ILE  15          2HG1      ILE  15   4.416   8.155   1.913
  103   1HG2  ILE  15          1HG2      ILE  15   2.282   5.396   3.385
  104   2HG2  ILE  15          2HG2      ILE  15   1.286   5.175   1.962
  105   3HG2  ILE  15          3HG2      ILE  15   2.970   4.650   1.930
  106   1HD1  ILE  15          1HD1      ILE  15   3.633   7.750   4.256
  107   2HD1  ILE  15          2HD1      ILE  15   4.308   6.103   4.144
  108   3HD1  ILE  15          3HD1      ILE  15   5.371   7.507   3.993
  109    HA   PRO  16           HA       PRO  16  -1.052   6.320  -1.711
  110   1HB   PRO  16          1HB       PRO  16  -0.740   4.776  -3.944
  111   2HB   PRO  16          2HB       PRO  16  -0.258   6.495  -3.905
  112   1HG   PRO  16          1HG       PRO  16   1.523   4.076  -3.436
  113   2HG   PRO  16          2HG       PRO  16   1.791   5.419  -4.591
  114   1HD   PRO  16          1HD       PRO  16   2.930   5.433  -2.130
  115   2HD   PRO  16          2HD       PRO  16   2.306   6.941  -2.824
  116    H    PHE  17           H        PHE  17  -2.032   3.841  -2.567
  117    HA   PHE  17           HA       PHE  17  -2.194   2.313  -0.218
  118   1HB   PHE  17          1HB       PHE  17  -3.511   0.763  -1.643
  119   2HB   PHE  17          2HB       PHE  17  -3.973   2.429  -1.874
  120    HD1  PHE  17           HD1      PHE  17  -3.556   3.599  -3.977
  121    HD2  PHE  17           HD2      PHE  17  -2.290  -0.491  -3.462
  122    HE1  PHE  17           HE1      PHE  17  -3.230   3.402  -6.416
  123    HE2  PHE  17           HE2      PHE  17  -1.912  -0.671  -5.899
  124    HZ   PHE  17           HZ       PHE  17  -2.390   1.262  -7.390
  125    H    PHE  18           H        PHE  18   0.656   2.425  -1.408
  126    HA   PHE  18           HA       PHE  18   1.314  -0.045  -2.599
  127   1HB   PHE  18          1HB       PHE  18   3.559   0.473  -2.411
  128   2HB   PHE  18          2HB       PHE  18   2.767   2.026  -2.505
  129    HD1  PHE  18           HD1      PHE  18   3.369   3.729  -0.994
  130    HD2  PHE  18           HD2      PHE  18   4.342  -0.371  -0.112
  131    HE1  PHE  18           HE1      PHE  18   4.971   4.468   0.746
  132    HE2  PHE  18           HE2      PHE  18   5.830   0.372   1.718
  133    HZ   PHE  18           HZ       PHE  18   6.161   2.799   2.142
  134    HA   PRO  19           HA       PRO  19   2.455  -1.810   1.684
  135   1HB   PRO  19          1HB       PRO  19   1.021  -1.152   3.934
  136   2HB   PRO  19          2HB       PRO  19   2.532  -0.345   3.413
  137   1HG   PRO  19          1HG       PRO  19  -0.323   0.532   2.885
  138   2HG   PRO  19          2HG       PRO  19   1.040   1.516   3.518
  139   1HD   PRO  19          1HD       PRO  19   0.373   1.593   0.946
  140   2HD   PRO  19          2HD       PRO  19   2.093   1.575   1.406
  141    H    VAL  20           H        VAL  20  -0.710  -1.437   0.339
  142    HA   VAL  20           HA       VAL  20  -2.186  -3.492   1.612
  143    HB   VAL  20           HB       VAL  20  -2.035  -2.323  -1.202
  144   1HG1  VAL  20          1HG1      VAL  20  -4.132  -3.507  -1.785
  145   2HG1  VAL  20          2HG1      VAL  20  -2.694  -4.490  -1.773
  146   3HG1  VAL  20          3HG1      VAL  20  -3.819  -4.611  -0.401
  147   1HG2  VAL  20          1HG2      VAL  20  -3.066  -0.950   0.614
  148   2HG2  VAL  20          2HG2      VAL  20  -4.246  -1.397  -0.619
  149   3HG2  VAL  20          3HG2      VAL  20  -4.224  -2.258   0.933
  150    H    HIS  21           H        HIS  21  -0.228  -3.710  -1.325
  151    HA   HIS  21           HA       HIS  21  -0.480  -6.442  -1.784
  152   1HB   HIS  21          1HB       HIS  21   1.625  -4.377  -2.334
  153   2HB   HIS  21          2HB       HIS  21   1.657  -5.948  -3.150
  154    HD1  HIS  21           HD1      HIS  21  -0.848  -6.176  -4.781
  155    HD2  HIS  21           HD2      HIS  21   0.509  -2.446  -3.346
  156    HE1  HIS  21           HE1      HIS  21  -2.119  -4.393  -6.076
  157    H    LEU  22           H        LEU  22   1.962  -4.701   0.039
  158    HA   LEU  22           HA       LEU  22   3.592  -6.966   0.738
  159   1HB   LEU  22          1HB       LEU  22   3.374  -4.182   1.961
  160   2HB   LEU  22          2HB       LEU  22   4.564  -5.382   2.393
  161    HG   LEU  22           HG       LEU  22   5.816  -4.117   0.987
  162   1HD1  LEU  22          1HD1      LEU  22   4.575  -5.943  -1.120
  163   2HD1  LEU  22          2HD1      LEU  22   6.174  -5.191  -1.155
  164   3HD1  LEU  22          3HD1      LEU  22   5.824  -6.438   0.053
  165   1HD2  LEU  22          1HD2      LEU  22   3.504  -3.707  -0.946
  166   2HD2  LEU  22          2HD2      LEU  22   4.013  -2.575   0.326
  167   3HD2  LEU  22          3HD2      LEU  22   5.104  -2.955  -1.006
  168    H    LYS  23           H        LYS  23   1.028  -5.153   2.651
  169    HA   LYS  23           HA       LYS  23   1.316  -6.993   4.860
  170   1HB   LYS  23          1HB       LYS  23   0.252  -4.801   5.145
  171   2HB   LYS  23          2HB       LYS  23  -1.076  -5.269   4.066
  172   1HG   LYS  23          1HG       LYS  23  -1.858  -6.943   5.585
  173   2HG   LYS  23          2HG       LYS  23  -0.398  -6.879   6.570
  174   1HD   LYS  23          1HD       LYS  23  -2.325  -4.532   6.336
  175   2HD   LYS  23          2HD       LYS  23  -2.512  -5.839   7.519
  176   1HE   LYS  23          1HE       LYS  23  -0.156  -5.375   8.321
  177   2HE   LYS  23          2HE       LYS  23  -0.138  -3.937   7.290
  178   1HZ   LYS  23          1HZ       LYS  23  -2.032  -4.447   9.513
  179   2HZ   LYS  23          2HZ       LYS  23  -0.760  -3.417   9.563
  180   3HZ   LYS  23          3HZ       LYS  23  -2.029  -3.099   8.570
  181    H    ARG  24           H        ARG  24  -0.422  -7.128   1.794
  182    HA   ARG  24           HA       ARG  24  -1.922  -9.497   2.423
  183   1HB   ARG  24          1HB       ARG  24  -2.677  -8.129   0.662
  184   2HB   ARG  24          2HB       ARG  24  -1.141  -8.131  -0.160
  185   1HG   ARG  24          1HG       ARG  24  -2.303 -10.862   0.089
  186   2HG   ARG  24          2HG       ARG  24  -3.353  -9.725  -0.724
  187   1HD   ARG  24          1HD       ARG  24  -1.919 -10.902  -2.333
  188   2HD   ARG  24          2HD       ARG  24  -1.692  -9.162  -2.365
  189    HE   ARG  24           HE       ARG  24   0.424  -9.342  -1.339
  190   1HH1  ARG  24          1HH1      ARG  24  -0.933 -12.588  -1.814
  191   2HH1  ARG  24          2HH1      ARG  24   0.584 -13.370  -2.028
  192   1HH2  ARG  24          1HH2      ARG  24   2.443 -10.341  -1.655
  193   2HH2  ARG  24          2HH2      ARG  24   2.579 -12.044  -1.916
  194    H    LEU  25           H        LEU  25   1.462  -8.988   1.532
  195    HA   LEU  25           HA       LEU  25   1.982 -11.767   0.873
  196   1HB   LEU  25          1HB       LEU  25   3.417  -9.665   0.354
  197   2HB   LEU  25          2HB       LEU  25   4.003  -9.782   2.005
  198    HG   LEU  25           HG       LEU  25   4.179 -12.116   0.062
  199   1HD1  LEU  25          1HD1      LEU  25   6.485 -11.389  -0.421
  200   2HD1  LEU  25          2HD1      LEU  25   5.319 -10.165  -0.937
  201   3HD1  LEU  25          3HD1      LEU  25   6.246  -9.933   0.562
  202   1HD2  LEU  25          1HD2      LEU  25   6.132 -12.758   1.517
  203   2HD2  LEU  25          2HD2      LEU  25   5.711 -11.438   2.624
  204   3HD2  LEU  25          3HD2      LEU  25   4.606 -12.807   2.377
  205    H    LEU  26           H        LEU  26   2.230  -9.716   3.794
  206    HA   LEU  26           HA       LEU  26   3.081 -11.805   5.543
  207   1HB   LEU  26          1HB       LEU  26   3.270  -9.423   6.111
  208   2HB   LEU  26          2HB       LEU  26   1.511  -9.275   6.163
  209    HG   LEU  26           HG       LEU  26   1.413 -10.837   8.091
  210   1HD1  LEU  26          1HD1      LEU  26   3.429 -12.199   7.738
  211   2HD1  LEU  26          2HD1      LEU  26   4.469 -10.768   7.934
  212   3HD1  LEU  26          3HD1      LEU  26   3.526 -11.400   9.301
  213   1HD2  LEU  26          1HD2      LEU  26   1.542  -8.408   8.439
  214   2HD2  LEU  26          2HD2      LEU  26   2.366  -9.289   9.735
  215   3HD2  LEU  26          3HD2      LEU  26   3.323  -8.496   8.467
  216    H    ILE  27           H        ILE  27  -0.236 -10.692   4.725
  217    HA   ILE  27           HA       ILE  27  -1.601 -12.502   6.455
  218    HB   ILE  27           HB       ILE  27  -2.409 -11.130   3.870
  219   1HG1  ILE  27          1HG1      ILE  27  -3.386 -10.630   6.721
  220   2HG1  ILE  27          2HG1      ILE  27  -1.964  -9.826   6.084
  221   1HG2  ILE  27          1HG2      ILE  27  -3.814 -13.143   4.041
  222   2HG2  ILE  27          2HG2      ILE  27  -4.197 -12.762   5.728
  223   3HG2  ILE  27          3HG2      ILE  27  -4.779 -11.724   4.410
  224   1HD1  ILE  27          1HD1      ILE  27  -4.777  -9.560   4.955
  225   2HD1  ILE  27          2HD1      ILE  27  -3.868  -8.355   5.872
  226   3HD1  ILE  27          3HD1      ILE  27  -3.316  -8.827   4.253
  227    H    LEU  28           H        LEU  28  -0.427 -12.929   3.055
  228    HA   LEU  28           HA       LEU  28  -1.416 -15.615   2.809
  229   1HB   LEU  28          1HB       LEU  28  -0.661 -14.013   0.999
  230   2HB   LEU  28          2HB       LEU  28   0.996 -14.447   1.417
  231    HG   LEU  28           HG       LEU  28   0.056 -15.628  -0.479
  232   1HD1  LEU  28          1HD1      LEU  28   0.492 -17.765   1.595
  233   2HD1  LEU  28          2HD1      LEU  28   0.953 -17.745  -0.098
  234   3HD1  LEU  28          3HD1      LEU  28   1.803 -16.690   1.067
  235   1HD2  LEU  28          1HD2      LEU  28  -1.763 -17.192   1.410
  236   2HD2  LEU  28          2HD2      LEU  28  -2.342 -15.854   0.408
  237   3HD2  LEU  28          3HD2      LEU  28  -1.683 -17.333  -0.336
  238    H    LEU  29           H        LEU  29   1.756 -14.404   3.819
  239    HA   LEU  29           HA       LEU  29   2.985 -16.853   4.437
  240   1HB   LEU  29          1HB       LEU  29   4.077 -14.665   4.502
  241   2HB   LEU  29          2HB       LEU  29   3.221 -14.226   5.972
  242    HG   LEU  29           HG       LEU  29   4.994 -16.695   5.885
  243   1HD1  LEU  29          1HD1      LEU  29   6.343 -14.812   5.053
  244   2HD1  LEU  29          2HD1      LEU  29   5.866 -13.827   6.458
  245   3HD1  LEU  29          3HD1      LEU  29   6.862 -15.284   6.672
  246   1HD2  LEU  29          1HD2      LEU  29   3.669 -16.500   7.952
  247   2HD2  LEU  29          2HD2      LEU  29   5.337 -16.106   8.313
  248   3HD2  LEU  29          3HD2      LEU  29   4.146 -14.799   8.141
  249    H    LEU  30           H        LEU  30   0.852 -14.915   6.585
  250    HA   LEU  30           HA       LEU  30   0.733 -16.780   8.723
  251   1HB   LEU  30          1HB       LEU  30   0.006 -14.411   8.817
  252   2HB   LEU  30          2HB       LEU  30  -1.349 -14.797   7.774
  253    HG   LEU  30           HG       LEU  30  -2.294 -16.318   9.491
  254   1HD1  LEU  30          1HD1      LEU  30  -0.281 -17.005  10.711
  255   2HD1  LEU  30          2HD1      LEU  30   0.030 -15.326  11.215
  256   3HD1  LEU  30          3HD1      LEU  30  -1.392 -16.209  11.819
  257   1HD2  LEU  30          1HD2      LEU  30  -2.983 -13.961   9.366
  258   2HD2  LEU  30          2HD2      LEU  30  -3.011 -14.550  11.034
  259   3HD2  LEU  30          3HD2      LEU  30  -1.678 -13.506  10.490
  260    H    LEU  31           H        LEU  31  -1.295 -16.442   5.839
  261    HA   LEU  31           HA       LEU  31  -3.105 -18.590   6.355
  262   1HB   LEU  31          1HB       LEU  31  -3.393 -16.702   4.747
  263   2HB   LEU  31          2HB       LEU  31  -2.307 -17.535   3.644
  264    HG   LEU  31           HG       LEU  31  -4.490 -19.282   4.646
  265   1HD1  LEU  31          1HD1      LEU  31  -5.739 -17.178   4.672
  266   2HD1  LEU  31          2HD1      LEU  31  -5.239 -16.834   2.998
  267   3HD1  LEU  31          3HD1      LEU  31  -6.290 -18.225   3.358
  268   1HD2  LEU  31          1HD2      LEU  31  -4.737 -19.845   2.292
  269   2HD2  LEU  31          2HD2      LEU  31  -3.746 -18.455   1.797
  270   3HD2  LEU  31          3HD2      LEU  31  -3.015 -19.817   2.674
  271   1HN   NH2  32          1HN       NH2  32   0.274 -18.770   5.580
  272   2HN   NH2  32          2HN       NH2  32   0.260 -20.471   5.161
  Start of MODEL   14
    1   1H    SER   1          1H        SER   1 -17.800   0.943   2.845
    2   2H    SER   1          2H        SER   1 -16.561   1.335   1.837
    3   3H    SER   1          3H        SER   1 -16.295   0.221   3.022
    4    HA   SER   1           HA       SER   1 -16.438   1.866   4.682
    5   1HB   SER   1          1HB       SER   1 -14.676   3.524   3.616
    6   2HB   SER   1          2HB       SER   1 -14.261   1.819   3.824
    7    HG   SER   1           HG       SER   1 -13.963   3.069   1.722
    8    HA   PRO   2           HA       PRO   2 -18.733   5.759   3.457
    9   1HB   PRO   2          1HB       PRO   2 -17.079   7.753   4.408
   10   2HB   PRO   2          2HB       PRO   2 -18.169   6.819   5.474
   11   1HG   PRO   2          1HG       PRO   2 -15.222   6.334   4.909
   12   2HG   PRO   2          2HG       PRO   2 -16.027   6.473   6.507
   13   1HD   PRO   2          1HD       PRO   2 -15.532   4.059   5.420
   14   2HD   PRO   2          2HD       PRO   2 -17.068   4.360   6.264
   15    HA   PRO   3           HA       PRO   3 -16.234   6.703  -0.200
   16   1HB   PRO   3          1HB       PRO   3 -16.634   9.343  -0.800
   17   2HB   PRO   3          2HB       PRO   3 -17.910   8.103  -0.953
   18   1HG   PRO   3          1HG       PRO   3 -17.445   9.989   1.382
   19   2HG   PRO   3          2HG       PRO   3 -18.976   9.678   0.500
   20   1HD   PRO   3          1HD       PRO   3 -18.413   8.409   2.823
   21   2HD   PRO   3          2HD       PRO   3 -19.216   7.539   1.488
   22    H    ASP   4           H        ASP   4 -14.426   6.172   1.363
   23    HA   ASP   4           HA       ASP   4 -12.865   8.320   2.477
   24   1HB   ASP   4          1HB       ASP   4 -11.429   6.689   3.332
   25   2HB   ASP   4          2HB       ASP   4 -13.066   6.109   3.555
   26    H    TYR   5           H        TYR   5 -12.017   9.657   1.116
   27    HA   TYR   5           HA       TYR   5 -11.139   9.079  -1.542
   28   1HB   TYR   5          1HB       TYR   5 -10.484  11.494  -1.491
   29   2HB   TYR   5          2HB       TYR   5 -12.143  11.168  -1.048
   30    HD1  TYR   5           HD1      TYR   5 -12.987  11.541   1.237
   31    HD2  TYR   5           HD2      TYR   5  -8.867  12.330   0.209
   32    HE1  TYR   5           HE1      TYR   5 -12.689  12.779   3.362
   33    HE2  TYR   5           HE2      TYR   5  -8.571  13.580   2.316
   34    HH   TYR   5           HH       TYR   5  -9.607  14.343   4.274
   35    H    SER   6           H        SER   6  -9.754   7.426   0.314
   36    HA   SER   6           HA       SER   6  -7.223   8.200   1.160
   37   1HB   SER   6          1HB       SER   6  -8.358   5.458   0.488
   38   2HB   SER   6          2HB       SER   6  -6.981   5.786   1.565
   39    HG   SER   6           HG       SER   6  -9.511   5.690   2.205
   40    H    ALA   7           H        ALA   7  -7.630   8.684  -1.828
   41    HA   ALA   7           HA       ALA   7  -5.635   7.020  -3.198
   42   1HB   ALA   7          1HB       ALA   7  -7.108   9.555  -4.048
   43   2HB   ALA   7          2HB       ALA   7  -6.058   8.563  -5.088
   44   3HB   ALA   7          3HB       ALA   7  -7.572   7.888  -4.452
   45    H    ALA   8           H        ALA   8  -4.200   7.496  -1.346
   46    HA   ALA   8           HA       ALA   8  -3.104   9.919  -0.630
   47   1HB   ALA   8          1HB       ALA   8  -1.936   7.102  -0.613
   48   2HB   ALA   8          2HB       ALA   8  -1.276   8.443   0.330
   49   3HB   ALA   8          3HB       ALA   8  -2.913   7.862   0.653
   50    HA   PRO   9           HA       PRO   9  -0.475  11.400  -3.713
   51   1HB   PRO   9          1HB       PRO   9   1.863  12.252  -2.464
   52   2HB   PRO   9          2HB       PRO   9   0.283  13.086  -2.392
   53   1HG   PRO   9          1HG       PRO   9   1.451  11.133  -0.391
   54   2HG   PRO   9          2HG       PRO   9   0.684  12.724  -0.073
   55   1HD   PRO   9          1HD       PRO   9  -0.709  10.452   0.216
   56   2HD   PRO   9          2HD       PRO   9  -1.484  11.864  -0.551
   57    H    ARG  10           H        ARG  10   1.397  11.168  -5.080
   58    HA   ARG  10           HA       ARG  10   3.194   8.941  -4.756
   59   1HB   ARG  10          1HB       ARG  10   2.444   7.808  -6.850
   60   2HB   ARG  10          2HB       ARG  10   1.314   7.628  -5.528
   61   1HG   ARG  10          1HG       ARG  10   0.860   9.803  -7.605
   62   2HG   ARG  10          2HG       ARG  10   0.468   8.122  -7.971
   63   1HD   ARG  10          1HD       ARG  10  -1.084   7.975  -6.112
   64   2HD   ARG  10          2HD       ARG  10  -0.627   9.583  -5.549
   65    HE   ARG  10           HE       ARG  10  -1.624   9.629  -8.256
   66   1HH1  ARG  10          1HH1      ARG  10  -2.573   9.535  -4.836
   67   2HH1  ARG  10          2HH1      ARG  10  -4.042  10.354  -4.993
   68   1HH2  ARG  10          1HH2      ARG  10  -3.697  10.740  -8.582
   69   2HH2  ARG  10          2HH2      ARG  10  -4.709  11.040  -7.221
   70    H    GLY  11           H        GLY  11   4.741   8.959  -6.632
   71   1HA   GLY  11          1HA       GLY  11   6.019   9.911  -8.229
   72   2HA   GLY  11          2HA       GLY  11   4.605  10.833  -8.759
   73    H    ARG  12           H        ARG  12   5.083  11.669  -5.615
   74    HA   ARG  12           HA       ARG  12   7.342  13.430  -5.645
   75   1HB   ARG  12          1HB       ARG  12   4.486  14.547  -5.476
   76   2HB   ARG  12          2HB       ARG  12   5.913  15.394  -4.902
   77   1HG   ARG  12          1HG       ARG  12   5.314  14.671  -7.800
   78   2HG   ARG  12          2HG       ARG  12   5.169  16.257  -7.050
   79   1HD   ARG  12          1HD       ARG  12   7.611  16.265  -6.564
   80   2HD   ARG  12          2HD       ARG  12   7.784  14.715  -7.388
   81    HE   ARG  12           HE       ARG  12   7.392  17.361  -8.546
   82   1HH1  ARG  12          1HH1      ARG  12   7.231  13.862  -9.237
   83   2HH1  ARG  12          2HH1      ARG  12   7.562  14.035 -10.919
   84   1HH2  ARG  12          1HH2      ARG  12   7.780  17.596 -10.809
   85   2HH2  ARG  12          2HH2      ARG  12   7.840  16.224 -11.841
   86    H    PHE  13           H        PHE  13   8.017  12.411  -3.919
   87    HA   PHE  13           HA       PHE  13   7.970  11.071  -1.981
   88   1HB   PHE  13          1HB       PHE  13   7.502  13.954  -1.195
   89   2HB   PHE  13          2HB       PHE  13   8.313  12.730  -0.221
   90    HD1  PHE  13           HD1      PHE  13   8.781  15.357  -2.597
   91    HD2  PHE  13           HD2      PHE  13  10.438  11.580  -1.314
   92    HE1  PHE  13           HE1      PHE  13  10.936  15.920  -3.694
   93    HE2  PHE  13           HE2      PHE  13  12.581  12.154  -2.421
   94    HZ   PHE  13           HZ       PHE  13  12.833  14.318  -3.611
   95    H    GLY  14           H        GLY  14   5.969   9.732  -2.165
   96   1HA   GLY  14          1HA       GLY  14   4.054  10.407  -0.075
   97   2HA   GLY  14          2HA       GLY  14   3.413  10.347  -1.729
   98    H    ILE  15           H        ILE  15   2.497   8.632   0.173
   99    HA   ILE  15           HA       ILE  15   3.658   5.918  -0.348
  100    HB   ILE  15           HB       ILE  15   2.362   7.125   2.114
  101   1HG1  ILE  15          1HG1      ILE  15   5.195   6.096   1.658
  102   2HG1  ILE  15          2HG1      ILE  15   4.713   7.772   1.885
  103   1HG2  ILE  15          1HG2      ILE  15   1.591   4.791   1.742
  104   2HG2  ILE  15          2HG2      ILE  15   3.269   4.249   1.709
  105   3HG2  ILE  15          3HG2      ILE  15   2.571   4.943   3.184
  106   1HD1  ILE  15          1HD1      ILE  15   5.645   7.016   3.941
  107   2HD1  ILE  15          2HD1      ILE  15   3.897   7.197   4.191
  108   3HD1  ILE  15          3HD1      ILE  15   4.617   5.580   3.980
  109    HA   PRO  16           HA       PRO  16  -0.601   6.051  -2.015
  110   1HB   PRO  16          1HB       PRO  16  -0.196   4.364  -4.152
  111   2HB   PRO  16          2HB       PRO  16   0.178   6.108  -4.191
  112   1HG   PRO  16          1HG       PRO  16   2.078   3.804  -3.668
  113   2HG   PRO  16          2HG       PRO  16   2.302   5.191  -4.782
  114   1HD   PRO  16          1HD       PRO  16   3.386   5.153  -2.284
  115   2HD   PRO  16          2HD       PRO  16   2.773   6.664  -2.980
  116    H    PHE  17           H        PHE  17  -1.670   3.601  -2.752
  117    HA   PHE  17           HA       PHE  17  -1.805   2.074  -0.375
  118   1HB   PHE  17          1HB       PHE  17  -3.178   0.553  -1.835
  119   2HB   PHE  17          2HB       PHE  17  -3.660   2.232  -1.872
  120    HD1  PHE  17           HD1      PHE  17  -3.755   3.455  -3.923
  121    HD2  PHE  17           HD2      PHE  17  -1.770  -0.382  -3.811
  122    HE1  PHE  17           HE1      PHE  17  -3.514   3.495  -6.390
  123    HE2  PHE  17           HE2      PHE  17  -1.535  -0.326  -6.272
  124    HZ   PHE  17           HZ       PHE  17  -2.397   1.612  -7.567
  125    H    PHE  18           H        PHE  18   1.024   2.165  -1.602
  126    HA   PHE  18           HA       PHE  18   1.634  -0.277  -2.879
  127   1HB   PHE  18          1HB       PHE  18   3.886   0.240  -2.703
  128   2HB   PHE  18          2HB       PHE  18   3.106   1.799  -2.718
  129    HD1  PHE  18           HD1      PHE  18   4.728  -0.705  -0.485
  130    HD2  PHE  18           HD2      PHE  18   3.679   3.428  -1.099
  131    HE1  PHE  18           HE1      PHE  18   6.243  -0.050   1.357
  132    HE2  PHE  18           HE2      PHE  18   5.307   4.081   0.656
  133    HZ   PHE  18           HZ       PHE  18   6.546   2.351   1.922
  134    HA   PRO  19           HA       PRO  19   2.784  -2.150   1.337
  135   1HB   PRO  19          1HB       PRO  19   1.453  -1.500   3.645
  136   2HB   PRO  19          2HB       PRO  19   2.951  -0.698   3.081
  137   1HG   PRO  19          1HG       PRO  19   0.087   0.213   2.671
  138   2HG   PRO  19          2HG       PRO  19   1.479   1.172   3.276
  139   1HD   PRO  19          1HD       PRO  19   0.723   1.296   0.726
  140   2HD   PRO  19          2HD       PRO  19   2.456   1.275   1.137
  141    H    VAL  20           H        VAL  20  -0.371  -1.699   0.015
  142    HA   VAL  20           HA       VAL  20  -1.859  -3.739   1.342
  143    HB   VAL  20           HB       VAL  20  -1.809  -2.544  -1.460
  144   1HG1  VAL  20          1HG1      VAL  20  -3.635  -4.778  -0.584
  145   2HG1  VAL  20          2HG1      VAL  20  -3.915  -3.702  -1.991
  146   3HG1  VAL  20          3HG1      VAL  20  -2.511  -4.746  -1.961
  147   1HG2  VAL  20          1HG2      VAL  20  -3.904  -2.467   0.764
  148   2HG2  VAL  20          2HG2      VAL  20  -2.740  -1.172   0.404
  149   3HG2  VAL  20          3HG2      VAL  20  -3.979  -1.596  -0.781
  150    H    HIS  21           H        HIS  21   0.139  -3.889  -1.611
  151    HA   HIS  21           HA       HIS  21  -0.163  -6.652  -2.088
  152   1HB   HIS  21          1HB       HIS  21   1.761  -4.457  -2.780
  153   2HB   HIS  21          2HB       HIS  21   2.100  -6.094  -3.362
  154    HD1  HIS  21           HD1      HIS  21  -1.547  -5.823  -3.767
  155    HD2  HIS  21           HD2      HIS  21   1.866  -4.093  -5.556
  156    HE1  HIS  21           HE1      HIS  21  -2.286  -4.905  -6.014
  157    H    LEU  22           H        LEU  22   2.209  -4.913  -0.142
  158    HA   LEU  22           HA       LEU  22   3.833  -7.252   0.446
  159   1HB   LEU  22          1HB       LEU  22   3.712  -4.463   1.681
  160   2HB   LEU  22          2HB       LEU  22   4.843  -5.711   2.140
  161    HG   LEU  22           HG       LEU  22   6.132  -4.433   0.751
  162   1HD1  LEU  22          1HD1      LEU  22   6.184  -6.819  -0.013
  163   2HD1  LEU  22          2HD1      LEU  22   5.016  -6.401  -1.294
  164   3HD1  LEU  22          3HD1      LEU  22   6.619  -5.655  -1.275
  165   1HD2  LEU  22          1HD2      LEU  22   3.910  -4.158  -1.313
  166   2HD2  LEU  22          2HD2      LEU  22   4.353  -2.948  -0.089
  167   3HD2  LEU  22          3HD2      LEU  22   5.509  -3.404  -1.341
  168    H    LYS  23           H        LYS  23   1.360  -5.372   2.380
  169    HA   LYS  23           HA       LYS  23   1.538  -7.203   4.581
  170   1HB   LYS  23          1HB       LYS  23   0.537  -4.952   4.765
  171   2HB   LYS  23          2HB       LYS  23  -0.812  -5.451   3.726
  172   1HG   LYS  23          1HG       LYS  23  -1.546  -7.089   5.353
  173   2HG   LYS  23          2HG       LYS  23  -0.110  -6.861   6.348
  174   1HD   LYS  23          1HD       LYS  23  -2.171  -4.669   5.847
  175   2HD   LYS  23          2HD       LYS  23  -2.271  -5.837   7.175
  176   1HE   LYS  23          1HE       LYS  23   0.034  -5.114   7.919
  177   2HE   LYS  23          2HE       LYS  23  -0.032  -3.819   6.715
  178   1HZ   LYS  23          1HZ       LYS  23  -1.910  -4.171   8.981
  179   2HZ   LYS  23          2HZ       LYS  23  -0.715  -3.054   8.898
  180   3HZ   LYS  23          3HZ       LYS  23  -1.994  -2.960   7.871
  181    H    ARG  24           H        ARG  24  -0.129  -7.388   1.479
  182    HA   ARG  24           HA       ARG  24  -1.790  -9.640   2.118
  183   1HB   ARG  24          1HB       ARG  24  -2.286  -8.374   0.195
  184   2HB   ARG  24          2HB       ARG  24  -0.679  -8.493  -0.455
  185   1HG   ARG  24          1HG       ARG  24  -2.659 -10.807  -0.268
  186   2HG   ARG  24          2HG       ARG  24  -2.420  -9.778  -1.670
  187   1HD   ARG  24          1HD       ARG  24  -0.645 -11.966  -0.640
  188   2HD   ARG  24          2HD       ARG  24  -1.238 -11.657  -2.264
  189    HE   ARG  24           HE       ARG  24   0.503  -9.531  -1.412
  190   1HH1  ARG  24          1HH1      ARG  24   0.694 -12.901  -2.498
  191   2HH1  ARG  24          2HH1      ARG  24   2.334 -12.794  -3.014
  192   1HH2  ARG  24          1HH2      ARG  24   2.597  -9.356  -2.008
  193   2HH2  ARG  24          2HH2      ARG  24   3.470 -10.646  -2.781
  194    H    LEU  25           H        LEU  25   1.678  -9.409   1.327
  195    HA   LEU  25           HA       LEU  25   2.025 -12.241   0.893
  196   1HB   LEU  25          1HB       LEU  25   3.679 -10.377   0.264
  197   2HB   LEU  25          2HB       LEU  25   4.057 -10.234   1.966
  198    HG   LEU  25           HG       LEU  25   4.784 -12.622   2.033
  199   1HD1  LEU  25          1HD1      LEU  25   3.560 -13.580   0.133
  200   2HD1  LEU  25          2HD1      LEU  25   4.399 -12.480  -0.999
  201   3HD1  LEU  25          3HD1      LEU  25   5.287 -13.751  -0.135
  202   1HD2  LEU  25          1HD2      LEU  25   6.908 -12.225   0.856
  203   2HD2  LEU  25          2HD2      LEU  25   6.187 -10.866  -0.035
  204   3HD2  LEU  25          3HD2      LEU  25   6.394 -10.781   1.730
  205    H    LEU  26           H        LEU  26   2.321 -10.041   3.642
  206    HA   LEU  26           HA       LEU  26   3.048 -12.016   5.586
  207   1HB   LEU  26          1HB       LEU  26   3.353  -9.619   5.989
  208   2HB   LEU  26          2HB       LEU  26   1.606  -9.365   5.966
  209    HG   LEU  26           HG       LEU  26   1.346 -10.752   8.005
  210   1HD1  LEU  26          1HD1      LEU  26   4.403 -10.892   7.960
  211   2HD1  LEU  26          2HD1      LEU  26   3.373 -11.353   9.333
  212   3HD1  LEU  26          3HD1      LEU  26   3.276 -12.264   7.833
  213   1HD2  LEU  26          1HD2      LEU  26   2.342  -9.140   9.556
  214   2HD2  LEU  26          2HD2      LEU  26   3.396  -8.517   8.270
  215   3HD2  LEU  26          3HD2      LEU  26   1.629  -8.315   8.161
  216    H    ILE  27           H        ILE  27  -0.194 -10.779   4.654
  217    HA   ILE  27           HA       ILE  27  -1.687 -12.338   6.504
  218    HB   ILE  27           HB       ILE  27  -2.381 -11.152   3.793
  219   1HG1  ILE  27          1HG1      ILE  27  -3.369 -10.359   6.572
  220   2HG1  ILE  27          2HG1      ILE  27  -1.892  -9.695   5.901
  221   1HG2  ILE  27          1HG2      ILE  27  -4.278 -12.523   5.756
  222   2HG2  ILE  27          2HG2      ILE  27  -4.791 -11.569   4.349
  223   3HG2  ILE  27          3HG2      ILE  27  -3.902 -13.064   4.113
  224   1HD1  ILE  27          1HD1      ILE  27  -4.663  -9.373   4.679
  225   2HD1  ILE  27          2HD1      ILE  27  -3.719  -8.146   5.528
  226   3HD1  ILE  27          3HD1      ILE  27  -3.146  -8.771   3.969
  227    H    LEU  28           H        LEU  28  -0.627 -13.113   3.123
  228    HA   LEU  28           HA       LEU  28  -1.704 -15.768   3.111
  229   1HB   LEU  28          1HB       LEU  28  -0.920 -14.361   1.178
  230   2HB   LEU  28          2HB       LEU  28   0.731 -14.782   1.626
  231    HG   LEU  28           HG       LEU  28  -0.225 -16.119  -0.165
  232   1HD1  LEU  28          1HD1      LEU  28   0.653 -18.190   0.413
  233   2HD1  LEU  28          2HD1      LEU  28   1.495 -17.050   1.504
  234   3HD1  LEU  28          3HD1      LEU  28   0.163 -18.064   2.096
  235   1HD2  LEU  28          1HD2      LEU  28  -2.080 -17.460   1.860
  236   2HD2  LEU  28          2HD2      LEU  28  -2.624 -16.244   0.702
  237   3HD2  LEU  28          3HD2      LEU  28  -1.969 -17.802   0.141
  238    H    LEU  29           H        LEU  29   1.571 -14.651   4.010
  239    HA   LEU  29           HA       LEU  29   2.571 -17.175   4.744
  240   1HB   LEU  29          1HB       LEU  29   3.909 -15.146   4.537
  241   2HB   LEU  29          2HB       LEU  29   3.171 -14.440   5.968
  242    HG   LEU  29           HG       LEU  29   4.543 -17.116   6.271
  243   1HD1  LEU  29          1HD1      LEU  29   6.128 -15.844   4.898
  244   2HD1  LEU  29          2HD1      LEU  29   6.031 -14.467   6.022
  245   3HD1  LEU  29          3HD1      LEU  29   6.731 -16.015   6.549
  246   1HD2  LEU  29          1HD2      LEU  29   5.216 -16.156   8.453
  247   2HD2  LEU  29          2HD2      LEU  29   4.472 -14.600   8.024
  248   3HD2  LEU  29          3HD2      LEU  29   3.472 -16.046   8.264
  249    H    LEU  30           H        LEU  30   0.460 -15.049   6.662
  250    HA   LEU  30           HA       LEU  30   0.490 -16.772   9.001
  251   1HB   LEU  30          1HB       LEU  30   0.042 -14.348   9.010
  252   2HB   LEU  30          2HB       LEU  30  -1.474 -14.616   8.169
  253    HG   LEU  30           HG       LEU  30  -0.954 -16.061  10.781
  254   1HD1  LEU  30          1HD1      LEU  30  -1.906 -13.174  10.536
  255   2HD1  LEU  30          2HD1      LEU  30  -1.872 -14.141  12.030
  256   3HD1  LEU  30          3HD1      LEU  30  -0.357 -13.718  11.227
  257   1HD2  LEU  30          1HD2      LEU  30  -3.421 -15.701  11.086
  258   2HD2  LEU  30          2HD2      LEU  30  -3.488 -14.939   9.480
  259   3HD2  LEU  30          3HD2      LEU  30  -3.054 -16.652   9.661
  260    H    LEU  31           H        LEU  31  -1.770 -16.282   6.262
  261    HA   LEU  31           HA       LEU  31  -3.097 -18.832   6.854
  262   1HB   LEU  31          1HB       LEU  31  -4.425 -16.900   7.712
  263   2HB   LEU  31          2HB       LEU  31  -4.403 -16.197   6.095
  264    HG   LEU  31           HG       LEU  31  -5.672 -18.195   5.247
  265   1HD1  LEU  31          1HD1      LEU  31  -5.813 -18.947   8.203
  266   2HD1  LEU  31          2HD1      LEU  31  -6.801 -19.668   6.915
  267   3HD1  LEU  31          3HD1      LEU  31  -5.053 -19.898   6.910
  268   1HD2  LEU  31          1HD2      LEU  31  -7.822 -17.547   6.254
  269   2HD2  LEU  31          2HD2      LEU  31  -6.969 -16.716   7.574
  270   3HD2  LEU  31          3HD2      LEU  31  -6.830 -16.123   5.903
  271   1HN   NH2  32          1HN       NH2  32  -1.487 -19.553   5.306
  272   2HN   NH2  32          2HN       NH2  32  -1.888 -19.420   3.608
  Start of MODEL   15
    1   1H    SER   1          1H        SER   1  -9.490  26.181  11.189
    2   2H    SER   1          2H        SER   1 -10.628  26.358   9.974
    3   3H    SER   1          3H        SER   1 -10.151  24.862  10.451
    4    HA   SER   1           HA       SER   1  -8.336  26.773   9.201
    5   1HB   SER   1          1HB       SER   1  -7.014  24.563   8.939
    6   2HB   SER   1          2HB       SER   1  -7.169  25.192  10.584
    7    HG   SER   1           HG       SER   1  -8.255  22.929   9.418
    8    HA   PRO   2           HA       PRO   2  -9.972  24.592   5.385
    9   1HB   PRO   2          1HB       PRO   2  -7.658  23.827   4.108
   10   2HB   PRO   2          2HB       PRO   2  -8.300  25.497   4.021
   11   1HG   PRO   2          1HG       PRO   2  -6.164  24.403   5.884
   12   2HG   PRO   2          2HG       PRO   2  -6.083  25.873   4.857
   13   1HD   PRO   2          1HD       PRO   2  -6.739  26.034   7.478
   14   2HD   PRO   2          2HD       PRO   2  -7.562  27.055   6.274
   15    HA   PRO   3           HA       PRO   3  -9.460  20.419   6.998
   16   1HB   PRO   3          1HB       PRO   3  -9.646  18.769   4.819
   17   2HB   PRO   3          2HB       PRO   3 -11.043  19.695   5.449
   18   1HG   PRO   3          1HG       PRO   3  -9.186  20.444   3.167
   19   2HG   PRO   3          2HG       PRO   3 -10.981  20.444   3.175
   20   1HD   PRO   3          1HD       PRO   3  -9.548  22.711   3.607
   21   2HD   PRO   3          2HD       PRO   3 -11.062  22.400   4.506
   22    H    ASP   4           H        ASP   4  -8.021  18.335   6.677
   23    HA   ASP   4           HA       ASP   4  -5.271  19.135   6.437
   24   1HB   ASP   4          1HB       ASP   4  -4.830  16.869   7.165
   25   2HB   ASP   4          2HB       ASP   4  -5.976  17.650   8.249
   26    H    TYR   5           H        TYR   5  -4.349  19.124   4.626
   27    HA   TYR   5           HA       TYR   5  -5.457  18.127   2.149
   28   1HB   TYR   5          1HB       TYR   5  -3.288  19.104   1.211
   29   2HB   TYR   5          2HB       TYR   5  -4.399  20.185   2.016
   30    HD1  TYR   5           HD1      TYR   5  -1.159  18.386   2.434
   31    HD2  TYR   5           HD2      TYR   5  -3.821  21.397   4.009
   32    HE1  TYR   5           HE1      TYR   5   0.622  19.148   3.967
   33    HE2  TYR   5           HE2      TYR   5  -2.038  22.167   5.551
   34    HH   TYR   5           HH       TYR   5   1.182  20.626   5.689
   35    H    SER   6           H        SER   6  -5.008  15.970   3.983
   36    HA   SER   6           HA       SER   6  -2.658  14.470   3.502
   37   1HB   SER   6          1HB       SER   6  -5.418  13.625   4.464
   38   2HB   SER   6          2HB       SER   6  -3.908  12.720   4.692
   39    HG   SER   6           HG       SER   6  -4.935  14.613   6.202
   40    H    ALA   7           H        ALA   7  -4.153  15.253   0.967
   41    HA   ALA   7           HA       ALA   7  -5.188  12.843  -0.281
   42   1HB   ALA   7          1HB       ALA   7  -4.197  15.477  -1.458
   43   2HB   ALA   7          2HB       ALA   7  -5.020  14.187  -2.363
   44   3HB   ALA   7          3HB       ALA   7  -5.882  15.053  -1.073
   45    H    ALA   8           H        ALA   8  -3.663  11.341   0.199
   46    HA   ALA   8           HA       ALA   8  -1.105  11.123   0.261
   47   1HB   ALA   8          1HB       ALA   8  -1.255   8.777  -0.483
   48   2HB   ALA   8          2HB       ALA   8  -2.563   9.249   0.613
   49   3HB   ALA   8          3HB       ALA   8  -2.874   9.096  -1.135
   50    HA   PRO   9           HA       PRO   9   0.212  12.465  -3.876
   51   1HB   PRO   9          1HB       PRO   9   2.850  13.035  -3.291
   52   2HB   PRO   9          2HB       PRO   9   1.478  14.126  -2.933
   53   1HG   PRO   9          1HG       PRO   9   2.880  12.219  -1.061
   54   2HG   PRO   9          2HG       PRO   9   2.377  13.904  -0.757
   55   1HD   PRO   9          1HD       PRO   9   0.925  11.727   0.056
   56   2HD   PRO   9          2HD       PRO   9   0.143  13.263  -0.415
   57    H    ARG  10           H        ARG  10   2.107  11.703  -5.373
   58    HA   ARG  10           HA       ARG  10   3.150   9.062  -4.855
   59   1HB   ARG  10          1HB       ARG  10   1.856   7.957  -6.667
   60   2HB   ARG  10          2HB       ARG  10   0.850   8.455  -5.318
   61   1HG   ARG  10          1HG       ARG  10   0.486  10.650  -6.906
   62   2HG   ARG  10          2HG       ARG  10   0.934   9.485  -8.142
   63   1HD   ARG  10          1HD       ARG  10  -1.421   9.467  -8.016
   64   2HD   ARG  10          2HD       ARG  10  -0.909   7.967  -7.223
   65    HE   ARG  10           HE       ARG  10  -1.122   9.714  -5.112
   66   1HH1  ARG  10          1HH1      ARG  10  -3.410   8.901  -7.710
   67   2HH1  ARG  10          2HH1      ARG  10  -4.810   9.275  -6.775
   68   1HH2  ARG  10          1HH2      ARG  10  -2.925  10.225  -3.904
   69   2HH2  ARG  10          2HH2      ARG  10  -4.536  10.045  -4.510
   70    H    GLY  11           H        GLY  11   4.650   8.479  -6.553
   71   1HA   GLY  11          1HA       GLY  11   6.215   8.842  -8.134
   72   2HA   GLY  11          2HA       GLY  11   5.092   9.937  -8.950
   73    H    ARG  12           H        ARG  12   5.553  11.162  -5.901
   74    HA   ARG  12           HA       ARG  12   8.111  12.425  -6.070
   75   1HB   ARG  12          1HB       ARG  12   5.530  14.078  -6.258
   76   2HB   ARG  12          2HB       ARG  12   7.074  14.712  -5.680
   77   1HG   ARG  12          1HG       ARG  12   8.102  14.121  -7.914
   78   2HG   ARG  12          2HG       ARG  12   6.497  13.624  -8.466
   79   1HD   ARG  12          1HD       ARG  12   6.869  15.814  -9.292
   80   2HD   ARG  12          2HD       ARG  12   5.645  15.929  -8.015
   81    HE   ARG  12           HE       ARG  12   8.168  16.364  -6.839
   82   1HH1  ARG  12          1HH1      ARG  12   6.091  17.974  -9.209
   83   2HH1  ARG  12          2HH1      ARG  12   6.681  19.564  -8.907
   84   1HH2  ARG  12          1HH2      ARG  12   8.989  18.504  -6.398
   85   2HH2  ARG  12          2HH2      ARG  12   8.379  19.861  -7.254
   86    H    PHE  13           H        PHE  13   8.529  11.615  -4.169
   87    HA   PHE  13           HA       PHE  13   8.269  10.650  -2.054
   88   1HB   PHE  13          1HB       PHE  13   7.993  13.645  -1.779
   89   2HB   PHE  13          2HB       PHE  13   8.499  12.557  -0.483
   90    HD1  PHE  13           HD1      PHE  13   9.625  14.595  -3.212
   91    HD2  PHE  13           HD2      PHE  13  10.603  11.057  -0.939
   92    HE1  PHE  13           HE1      PHE  13  11.978  14.717  -4.013
   93    HE2  PHE  13           HE2      PHE  13  12.942  11.190  -1.748
   94    HZ   PHE  13           HZ       PHE  13  13.629  13.013  -3.287
   95    H    GLY  14           H        GLY  14   6.220   9.429  -2.271
   96   1HA   GLY  14          1HA       GLY  14   4.188  10.417  -0.460
   97   2HA   GLY  14          2HA       GLY  14   3.696  10.308  -2.161
   98    H    ILE  15           H        ILE  15   2.353   8.791  -0.409
   99    HA   ILE  15           HA       ILE  15   3.400   5.983  -0.561
  100    HB   ILE  15           HB       ILE  15   1.906   7.411   1.656
  101   1HG1  ILE  15          1HG1      ILE  15   4.734   6.268   1.614
  102   2HG1  ILE  15          2HG1      ILE  15   4.308   7.974   1.616
  103   1HG2  ILE  15          1HG2      ILE  15   2.757   4.489   1.519
  104   2HG2  ILE  15          2HG2      ILE  15   1.974   5.293   2.893
  105   3HG2  ILE  15          3HG2      ILE  15   1.101   5.085   1.393
  106   1HD1  ILE  15          1HD1      ILE  15   3.868   6.023   3.892
  107   2HD1  ILE  15          2HD1      ILE  15   4.952   7.419   3.829
  108   3HD1  ILE  15          3HD1      ILE  15   3.196   7.675   3.843
  109    HA   PRO  16           HA       PRO  16  -0.675   6.040  -2.615
  110   1HB   PRO  16          1HB       PRO  16  -0.091   4.217  -4.600
  111   2HB   PRO  16          2HB       PRO  16   0.309   5.953  -4.730
  112   1HG   PRO  16          1HG       PRO  16   2.125   3.682  -3.881
  113   2HG   PRO  16          2HG       PRO  16   2.463   4.988  -5.061
  114   1HD   PRO  16          1HD       PRO  16   3.323   5.118  -2.479
  115   2HD   PRO  16          2HD       PRO  16   2.784   6.582  -3.327
  116    H    PHE  17           H        PHE  17  -1.702   3.519  -3.247
  117    HA   PHE  17           HA       PHE  17  -1.975   2.206  -0.742
  118   1HB   PHE  17          1HB       PHE  17  -3.314   0.589  -2.107
  119   2HB   PHE  17          2HB       PHE  17  -3.763   2.263  -2.335
  120    HD1  PHE  17           HD1      PHE  17  -1.896  -0.594  -3.920
  121    HD2  PHE  17           HD2      PHE  17  -3.695   3.296  -4.504
  122    HE1  PHE  17           HE1      PHE  17  -1.554  -0.795  -6.348
  123    HE2  PHE  17           HE2      PHE  17  -3.349   3.072  -6.950
  124    HZ   PHE  17           HZ       PHE  17  -2.270   1.034  -7.876
  125    H    PHE  18           H        PHE  18   0.892   2.178  -1.869
  126    HA   PHE  18           HA       PHE  18   1.564  -0.312  -2.953
  127   1HB   PHE  18          1HB       PHE  18   3.802   0.220  -2.667
  128   2HB   PHE  18          2HB       PHE  18   3.016   1.770  -2.801
  129    HD1  PHE  18           HD1      PHE  18   4.603  -0.597  -0.424
  130    HD2  PHE  18           HD2      PHE  18   3.354   3.463  -1.150
  131    HE1  PHE  18           HE1      PHE  18   5.970   0.163   1.492
  132    HE2  PHE  18           HE2      PHE  18   4.843   4.226   0.687
  133    HZ   PHE  18           HZ       PHE  18   6.102   2.583   2.042
  134    HA   PRO  19           HA       PRO  19   2.581  -2.010   1.377
  135   1HB   PRO  19          1HB       PRO  19   1.124  -1.322   3.598
  136   2HB   PRO  19          2HB       PRO  19   2.622  -0.493   3.074
  137   1HG   PRO  19          1HG       PRO  19  -0.247   0.310   2.491
  138   2HG   PRO  19          2HG       PRO  19   1.081   1.333   3.138
  139   1HD   PRO  19          1HD       PRO  19   0.478   1.368   0.545
  140   2HD   PRO  19          2HD       PRO  19   2.183   1.376   1.057
  141    H    VAL  20           H        VAL  20  -0.572  -1.648   0.000
  142    HA   VAL  20           HA       VAL  20  -2.066  -3.671   1.298
  143    HB   VAL  20           HB       VAL  20  -1.877  -2.541  -1.533
  144   1HG1  VAL  20          1HG1      VAL  20  -2.557  -4.715  -2.085
  145   2HG1  VAL  20          2HG1      VAL  20  -3.704  -4.799  -0.729
  146   3HG1  VAL  20          3HG1      VAL  20  -3.978  -3.710  -2.134
  147   1HG2  VAL  20          1HG2      VAL  20  -4.097  -2.433   0.562
  148   2HG2  VAL  20          2HG2      VAL  20  -2.912  -1.144   0.258
  149   3HG2  VAL  20          3HG2      VAL  20  -4.076  -1.582  -0.996
  150    H    HIS  21           H        HIS  21  -0.091  -3.972  -1.614
  151    HA   HIS  21           HA       HIS  21  -0.394  -6.710  -2.014
  152   1HB   HIS  21          1HB       HIS  21   1.765  -4.711  -2.609
  153   2HB   HIS  21          2HB       HIS  21   1.707  -6.279  -3.428
  154    HD1  HIS  21           HD1      HIS  21  -0.872  -6.379  -4.977
  155    HD2  HIS  21           HD2      HIS  21   0.707  -2.720  -3.585
  156    HE1  HIS  21           HE1      HIS  21  -2.119  -4.532  -6.205
  157    H    LEU  22           H        LEU  22   2.123  -4.968  -0.277
  158    HA   LEU  22           HA       LEU  22   3.686  -7.236   0.516
  159   1HB   LEU  22          1HB       LEU  22   3.487  -4.425   1.693
  160   2HB   LEU  22          2HB       LEU  22   4.659  -5.631   2.155
  161    HG   LEU  22           HG       LEU  22   5.930  -4.389   0.745
  162   1HD1  LEU  22          1HD1      LEU  22   5.931  -6.741  -0.112
  163   2HD1  LEU  22          2HD1      LEU  22   4.713  -6.272  -1.325
  164   3HD1  LEU  22          3HD1      LEU  22   6.321  -5.536  -1.352
  165   1HD2  LEU  22          1HD2      LEU  22   4.146  -2.854   0.016
  166   2HD2  LEU  22          2HD2      LEU  22   5.252  -3.279  -1.291
  167   3HD2  LEU  22          3HD2      LEU  22   3.647  -4.018  -1.231
  168    H    LYS  23           H        LYS  23   1.148  -5.328   2.363
  169    HA   LYS  23           HA       LYS  23   1.421  -7.088   4.623
  170   1HB   LYS  23          1HB       LYS  23   0.374  -4.791   4.682
  171   2HB   LYS  23          2HB       LYS  23  -1.049  -5.464   3.861
  172   1HG   LYS  23          1HG       LYS  23  -1.383  -7.048   5.739
  173   2HG   LYS  23          2HG       LYS  23   0.109  -6.487   6.505
  174   1HD   LYS  23          1HD       LYS  23  -0.902  -4.245   6.823
  175   2HD   LYS  23          2HD       LYS  23  -2.407  -4.825   6.064
  176   1HE   LYS  23          1HE       LYS  23  -2.606  -6.586   7.813
  177   2HE   LYS  23          2HE       LYS  23  -1.103  -6.031   8.556
  178   1HZ   LYS  23          1HZ       LYS  23  -2.188  -3.927   9.048
  179   2HZ   LYS  23          2HZ       LYS  23  -3.593  -4.444   8.358
  180   3HZ   LYS  23          3HZ       LYS  23  -3.020  -5.174   9.709
  181    H    ARG  24           H        ARG  24  -0.343  -7.322   1.577
  182    HA   ARG  24           HA       ARG  24  -1.956  -9.574   2.349
  183   1HB   ARG  24          1HB       ARG  24  -2.615  -8.249   0.487
  184   2HB   ARG  24          2HB       ARG  24  -1.089  -8.453  -0.331
  185   1HG   ARG  24          1HG       ARG  24  -2.432 -11.056   0.144
  186   2HG   ARG  24          2HG       ARG  24  -3.446  -9.917  -0.715
  187   1HD   ARG  24          1HD       ARG  24  -2.179 -11.257  -2.308
  188   2HD   ARG  24          2HD       ARG  24  -1.765  -9.555  -2.427
  189    HE   ARG  24           HE       ARG  24   0.358  -9.926  -1.541
  190   1HH1  ARG  24          1HH1      ARG  24  -1.423 -12.991  -1.463
  191   2HH1  ARG  24          2HH1      ARG  24  -0.039 -13.999  -1.629
  192   1HH2  ARG  24          1HH2      ARG  24   2.228 -11.248  -1.833
  193   2HH2  ARG  24          2HH2      ARG  24   2.109 -12.968  -1.814
  194    H    LEU  25           H        LEU  25   1.424  -9.267   1.298
  195    HA   LEU  25           HA       LEU  25   1.825 -12.102   0.862
  196   1HB   LEU  25          1HB       LEU  25   3.317 -10.132   0.127
  197   2HB   LEU  25          2HB       LEU  25   3.934 -10.091   1.770
  198    HG   LEU  25           HG       LEU  25   4.013 -12.610   0.061
  199   1HD1  LEU  25          1HD1      LEU  25   5.202 -10.794  -1.119
  200   2HD1  LEU  25          2HD1      LEU  25   6.152 -10.456   0.346
  201   3HD1  LEU  25          3HD1      LEU  25   6.335 -12.002  -0.504
  202   1HD2  LEU  25          1HD2      LEU  25   4.447 -13.114   2.418
  203   2HD2  LEU  25          2HD2      LEU  25   5.969 -13.171   1.553
  204   3HD2  LEU  25          3HD2      LEU  25   5.584 -11.752   2.544
  205    H    LEU  26           H        LEU  26   2.311  -9.875   3.616
  206    HA   LEU  26           HA       LEU  26   3.153 -11.869   5.457
  207   1HB   LEU  26          1HB       LEU  26   3.464  -9.465   5.837
  208   2HB   LEU  26          2HB       LEU  26   1.718  -9.237   5.974
  209    HG   LEU  26           HG       LEU  26   1.668 -10.633   8.022
  210   1HD1  LEU  26          1HD1      LEU  26   3.580 -12.135   7.663
  211   2HD1  LEU  26          2HD1      LEU  26   4.707 -10.758   7.682
  212   3HD1  LEU  26          3HD1      LEU  26   3.820 -11.226   9.148
  213   1HD2  LEU  26          1HD2      LEU  26   2.798  -9.026   9.486
  214   2HD2  LEU  26          2HD2      LEU  26   3.727  -8.392   8.112
  215   3HD2  LEU  26          3HD2      LEU  26   1.958  -8.192   8.169
  216    H    ILE  27           H        ILE  27  -0.166 -10.668   4.782
  217    HA   ILE  27           HA       ILE  27  -1.487 -12.270   6.732
  218    HB   ILE  27           HB       ILE  27  -2.389 -11.018   4.115
  219   1HG1  ILE  27          1HG1      ILE  27  -3.177 -10.323   6.983
  220   2HG1  ILE  27          2HG1      ILE  27  -1.758  -9.626   6.227
  221   1HG2  ILE  27          1HG2      ILE  27  -3.876 -12.948   4.476
  222   2HG2  ILE  27          2HG2      ILE  27  -4.146 -12.458   6.156
  223   3HG2  ILE  27          3HG2      ILE  27  -4.751 -11.465   4.814
  224   1HD1  ILE  27          1HD1      ILE  27  -3.597  -8.071   6.027
  225   2HD1  ILE  27          2HD1      ILE  27  -3.172  -8.669   4.411
  226   3HD1  ILE  27          3HD1      ILE  27  -4.620  -9.280   5.245
  227    H    LEU  28           H        LEU  28  -0.605 -12.994   3.289
  228    HA   LEU  28           HA       LEU  28  -1.758 -15.627   3.323
  229   1HB   LEU  28          1HB       LEU  28  -1.092 -14.198   1.344
  230   2HB   LEU  28          2HB       LEU  28   0.572 -14.690   1.647
  231    HG   LEU  28           HG       LEU  28  -0.588 -15.947  -0.069
  232   1HD1  LEU  28          1HD1      LEU  28  -0.081 -17.962   2.106
  233   2HD1  LEU  28          2HD1      LEU  28   0.232 -18.077   0.384
  234   3HD1  LEU  28          3HD1      LEU  28   1.233 -16.999   1.400
  235   1HD2  LEU  28          1HD2      LEU  28  -2.310 -17.274   2.077
  236   2HD2  LEU  28          2HD2      LEU  28  -2.907 -15.977   1.032
  237   3HD2  LEU  28          3HD2      LEU  28  -2.391 -17.539   0.345
  238    H    LEU  29           H        LEU  29   1.549 -14.534   3.968
  239    HA   LEU  29           HA       LEU  29   2.701 -17.005   4.640
  240   1HB   LEU  29          1HB       LEU  29   3.903 -14.880   4.458
  241   2HB   LEU  29          2HB       LEU  29   3.217 -14.307   5.972
  242    HG   LEU  29           HG       LEU  29   4.821 -16.888   5.891
  243   1HD1  LEU  29          1HD1      LEU  29   5.944 -14.062   6.141
  244   2HD1  LEU  29          2HD1      LEU  29   6.853 -15.573   6.371
  245   3HD1  LEU  29          3HD1      LEU  29   6.199 -15.181   4.779
  246   1HD2  LEU  29          1HD2      LEU  29   4.361 -14.774   8.063
  247   2HD2  LEU  29          2HD2      LEU  29   3.727 -16.433   8.055
  248   3HD2  LEU  29          3HD2      LEU  29   5.451 -16.168   8.216
  249    H    LEU  30           H        LEU  30   0.876 -14.817   6.832
  250    HA   LEU  30           HA       LEU  30   0.868 -16.541   9.092
  251   1HB   LEU  30          1HB       LEU  30   0.278 -14.128   9.097
  252   2HB   LEU  30          2HB       LEU  30  -1.192 -14.501   8.216
  253    HG   LEU  30           HG       LEU  30  -2.029 -15.865  10.118
  254   1HD1  LEU  30          1HD1      LEU  30   0.063 -16.577  11.179
  255   2HD1  LEU  30          2HD1      LEU  30   0.501 -14.888  11.534
  256   3HD1  LEU  30          3HD1      LEU  30  -0.891 -15.655  12.335
  257   1HD2  LEU  30          1HD2      LEU  30  -2.506 -13.973  11.603
  258   2HD2  LEU  30          2HD2      LEU  30  -1.192 -13.032  10.859
  259   3HD2  LEU  30          3HD2      LEU  30  -2.625 -13.492   9.905
  260    H    LEU  31           H        LEU  31  -1.397 -16.256   6.386
  261    HA   LEU  31           HA       LEU  31  -3.266 -18.257   7.207
  262   1HB   LEU  31          1HB       LEU  31  -3.595 -16.437   5.516
  263   2HB   LEU  31          2HB       LEU  31  -2.688 -17.414   4.371
  264    HG   LEU  31           HG       LEU  31  -4.849 -18.952   5.692
  265   1HD1  LEU  31          1HD1      LEU  31  -5.648 -16.527   4.033
  266   2HD1  LEU  31          2HD1      LEU  31  -6.728 -17.830   4.587
  267   3HD1  LEU  31          3HD1      LEU  31  -5.954 -16.768   5.770
  268   1HD2  LEU  31          1HD2      LEU  31  -4.397 -18.285   2.742
  269   2HD2  LEU  31          2HD2      LEU  31  -3.658 -19.659   3.594
  270   3HD2  LEU  31          3HD2      LEU  31  -5.411 -19.583   3.409
  271   1HN   NH2  32          1HN       NH2  32   0.006 -18.686   6.156
  272   2HN   NH2  32          2HN       NH2  32  -0.143 -20.401   5.827
  Start of MODEL   16
    1   1H    SER   1          1H        SER   1 -15.595  21.953   6.800
    2   2H    SER   1          2H        SER   1 -17.084  21.277   6.438
    3   3H    SER   1          3H        SER   1 -15.711  20.392   6.281
    4    HA   SER   1           HA       SER   1 -16.256  22.757   4.664
    5   1HB   SER   1          1HB       SER   1 -14.353  21.632   3.313
    6   2HB   SER   1          2HB       SER   1 -13.901  22.332   4.873
    7    HG   SER   1           HG       SER   1 -13.999  19.693   4.057
    8    HA   PRO   2           HA       PRO   2 -18.204  19.450   1.961
    9   1HB   PRO   2          1HB       PRO   2 -16.993  19.925  -0.468
   10   2HB   PRO   2          2HB       PRO   2 -18.365  20.905   0.133
   11   1HG   PRO   2          1HG       PRO   2 -15.394  21.510   0.331
   12   2HG   PRO   2          2HG       PRO   2 -16.699  22.585  -0.270
   13   1HD   PRO   2          1HD       PRO   2 -15.796  22.773   2.273
   14   2HD   PRO   2          2HD       PRO   2 -17.533  22.943   1.915
   15    HA   PRO   3           HA       PRO   3 -14.725  16.600   2.173
   16   1HB   PRO   3          1HB       PRO   3 -15.035  14.888   0.047
   17   2HB   PRO   3          2HB       PRO   3 -16.111  14.867   1.478
   18   1HG   PRO   3          1HG       PRO   3 -16.576  16.251  -1.184
   19   2HG   PRO   3          2HG       PRO   3 -17.702  15.186  -0.281
   20   1HD   PRO   3          1HD       PRO   3 -17.868  17.889  -0.118
   21   2HD   PRO   3          2HD       PRO   3 -18.146  16.872   1.324
   22    H    ASP   4           H        ASP   4 -12.668  15.922   0.940
   23    HA   ASP   4           HA       ASP   4 -11.854  17.984  -0.975
   24   1HB   ASP   4          1HB       ASP   4  -9.748  17.924   0.077
   25   2HB   ASP   4          2HB       ASP   4 -10.901  18.001   1.405
   26    H    TYR   5           H        TYR   5  -9.571  16.892  -1.838
   27    HA   TYR   5           HA       TYR   5 -10.115  14.256  -3.010
   28   1HB   TYR   5          1HB       TYR   5  -9.485  15.454  -5.208
   29   2HB   TYR   5          2HB       TYR   5 -11.109  15.628  -4.588
   30    HD1  TYR   5           HD1      TYR   5 -12.006  17.768  -3.977
   31    HD2  TYR   5           HD2      TYR   5  -7.823  17.377  -4.957
   32    HE1  TYR   5           HE1      TYR   5 -11.800  20.237  -4.056
   33    HE2  TYR   5           HE2      TYR   5  -7.607  19.839  -5.038
   34    HH   TYR   5           HH       TYR   5  -8.713  21.883  -4.806
   35    H    SER   6           H        SER   6  -8.199  15.017  -0.924
   36    HA   SER   6           HA       SER   6  -5.593  15.448  -2.063
   37   1HB   SER   6          1HB       SER   6  -6.340  14.521   0.733
   38   2HB   SER   6          2HB       SER   6  -4.813  15.259   0.208
   39    HG   SER   6           HG       SER   6  -7.381  16.331   0.513
   40    H    ALA   7           H        ALA   7  -6.360  13.509  -3.493
   41    HA   ALA   7           HA       ALA   7  -5.942  10.805  -2.829
   42   1HB   ALA   7          1HB       ALA   7  -5.112  12.235  -5.395
   43   2HB   ALA   7          2HB       ALA   7  -5.271  10.477  -5.196
   44   3HB   ALA   7          3HB       ALA   7  -6.706  11.520  -5.058
   45    H    ALA   8           H        ALA   8  -4.322   9.904  -1.819
   46    HA   ALA   8           HA       ALA   8  -2.138  10.943  -0.831
   47   1HB   ALA   8          1HB       ALA   8  -2.951   8.718  -0.247
   48   2HB   ALA   8          2HB       ALA   8  -2.324   8.063  -1.783
   49   3HB   ALA   8          3HB       ALA   8  -1.205   8.679  -0.548
   50    HA   PRO   9           HA       PRO   9   0.553  12.094  -4.062
   51   1HB   PRO   9          1HB       PRO   9   3.017  12.221  -2.707
   52   2HB   PRO   9          2HB       PRO   9   1.761  13.487  -2.781
   53   1HG   PRO   9          1HG       PRO   9   2.237  11.459  -0.602
   54   2HG   PRO   9          2HG       PRO   9   1.773  13.179  -0.452
   55   1HD   PRO   9          1HD       PRO   9  -0.019  11.147  -0.203
   56   2HD   PRO   9          2HD       PRO   9  -0.476  12.702  -0.967
   57    H    ARG  10           H        ARG  10   1.816  11.237  -5.619
   58    HA   ARG  10           HA       ARG  10   2.964   8.538  -5.306
   59   1HB   ARG  10          1HB       ARG  10   1.690   7.940  -7.484
   60   2HB   ARG  10          2HB       ARG  10   0.811   7.906  -5.960
   61   1HG   ARG  10          1HG       ARG  10  -0.208  10.099  -6.435
   62   2HG   ARG  10          2HG       ARG  10   0.676  10.222  -7.955
   63   1HD   ARG  10          1HD       ARG  10  -1.237   7.929  -7.349
   64   2HD   ARG  10          2HD       ARG  10  -1.793   9.496  -7.948
   65    HE   ARG  10           HE       ARG  10   0.339   8.430  -9.564
   66   1HH1  ARG  10          1HH1      ARG  10  -3.163   8.318  -9.050
   67   2HH1  ARG  10          2HH1      ARG  10  -3.564   7.868 -10.662
   68   1HH2  ARG  10          1HH2      ARG  10  -0.165   7.818 -11.759
   69   2HH2  ARG  10          2HH2      ARG  10  -1.795   7.573 -12.239
   70    H    GLY  11           H        GLY  11   4.744   8.282  -6.614
   71   1HA   GLY  11          1HA       GLY  11   6.372   8.717  -8.155
   72   2HA   GLY  11          2HA       GLY  11   5.231   9.747  -9.031
   73    H    ARG  12           H        ARG  12   5.504  10.888  -5.857
   74    HA   ARG  12           HA       ARG  12   7.954  12.356  -6.006
   75   1HB   ARG  12          1HB       ARG  12   5.264  13.813  -6.194
   76   2HB   ARG  12          2HB       ARG  12   6.718  14.535  -5.496
   77   1HG   ARG  12          1HG       ARG  12   7.915  14.090  -7.686
   78   2HG   ARG  12          2HG       ARG  12   6.342  13.638  -8.379
   79   1HD   ARG  12          1HD       ARG  12   5.443  15.866  -7.853
   80   2HD   ARG  12          2HD       ARG  12   6.971  16.312  -7.063
   81    HE   ARG  12           HE       ARG  12   7.435  15.442  -9.743
   82   1HH1  ARG  12          1HH1      ARG  12   6.225  18.238  -7.934
   83   2HH1  ARG  12          2HH1      ARG  12   6.673  19.413  -9.111
   84   1HH2  ARG  12          1HH2      ARG  12   8.052  17.004 -11.356
   85   2HH2  ARG  12          2HH2      ARG  12   7.737  18.675 -11.120
   86    H    PHE  13           H        PHE  13   8.466  11.515  -4.158
   87    HA   PHE  13           HA       PHE  13   8.282  10.496  -2.046
   88   1HB   PHE  13          1HB       PHE  13   8.089  13.498  -1.709
   89   2HB   PHE  13          2HB       PHE  13   8.705  12.367  -0.502
   90    HD1  PHE  13           HD1      PHE  13  10.722  10.845  -1.213
   91    HD2  PHE  13           HD2      PHE  13   9.577  14.448  -3.299
   92    HE1  PHE  13           HE1      PHE  13  12.951  10.934  -2.294
   93    HE2  PHE  13           HE2      PHE  13  11.816  14.528  -4.372
   94    HZ   PHE  13           HZ       PHE  13  13.499  12.768  -3.876
   95    H    GLY  14           H        GLY  14   6.190   9.321  -2.115
   96   1HA   GLY  14          1HA       GLY  14   4.345  10.360  -0.137
   97   2HA   GLY  14          2HA       GLY  14   3.705  10.246  -1.787
   98    H    ILE  15           H        ILE  15   2.482   8.780   0.068
   99    HA   ILE  15           HA       ILE  15   3.423   5.956  -0.202
  100    HB   ILE  15           HB       ILE  15   2.146   7.340   2.173
  101   1HG1  ILE  15          1HG1      ILE  15   4.403   6.164   3.167
  102   2HG1  ILE  15          2HG1      ILE  15   4.974   6.541   1.548
  103   1HG2  ILE  15          1HG2      ILE  15   1.228   5.101   1.964
  104   2HG2  ILE  15          2HG2      ILE  15   2.838   4.408   1.764
  105   3HG2  ILE  15          3HG2      ILE  15   2.361   5.145   3.309
  106   1HD1  ILE  15          1HD1      ILE  15   3.786   8.507   3.564
  107   2HD1  ILE  15          2HD1      ILE  15   5.503   8.325   3.163
  108   3HD1  ILE  15          3HD1      ILE  15   4.378   8.951   1.950
  109    HA   PRO  16           HA       PRO  16  -0.781   6.223  -1.961
  110   1HB   PRO  16          1HB       PRO  16  -0.368   4.642  -4.168
  111   2HB   PRO  16          2HB       PRO  16   0.083   6.369  -4.127
  112   1HG   PRO  16          1HG       PRO  16   1.874   3.970  -3.635
  113   2HG   PRO  16          2HG       PRO  16   2.175   5.375  -4.710
  114   1HD   PRO  16          1HD       PRO  16   3.196   5.242  -2.186
  115   2HD   PRO  16          2HD       PRO  16   2.656   6.787  -2.867
  116    H    PHE  17           H        PHE  17  -1.796   3.750  -2.831
  117    HA   PHE  17           HA       PHE  17  -2.026   2.244  -0.457
  118   1HB   PHE  17          1HB       PHE  17  -3.353   0.710  -1.915
  119   2HB   PHE  17          2HB       PHE  17  -3.799   2.390  -2.085
  120    HD1  PHE  17           HD1      PHE  17  -1.821  -0.361  -3.736
  121    HD2  PHE  17           HD2      PHE  17  -3.781   3.460  -4.226
  122    HE1  PHE  17           HE1      PHE  17  -1.438  -0.473  -6.174
  123    HE2  PHE  17           HE2      PHE  17  -3.407   3.323  -6.671
  124    HZ   PHE  17           HZ       PHE  17  -2.224   1.364  -7.648
  125    H    PHE  18           H        PHE  18   0.846   2.295  -1.594
  126    HA   PHE  18           HA       PHE  18   1.480  -0.192  -2.779
  127   1HB   PHE  18          1HB       PHE  18   3.729   0.287  -2.537
  128   2HB   PHE  18          2HB       PHE  18   2.979   1.860  -2.645
  129    HD1  PHE  18           HD1      PHE  18   3.430   3.528  -0.986
  130    HD2  PHE  18           HD2      PHE  18   4.530  -0.580  -0.303
  131    HE1  PHE  18           HE1      PHE  18   4.944   4.222   0.860
  132    HE2  PHE  18           HE2      PHE  18   5.929   0.111   1.615
  133    HZ   PHE  18           HZ       PHE  18   6.150   2.518   2.191
  134    HA   PRO  19           HA       PRO  19   2.576  -1.914   1.516
  135   1HB   PRO  19          1HB       PRO  19   1.115  -1.271   3.752
  136   2HB   PRO  19          2HB       PRO  19   2.621  -0.447   3.244
  137   1HG   PRO  19          1HG       PRO  19  -0.237   0.405   2.699
  138   2HG   PRO  19          2HG       PRO  19   1.117   1.399   3.332
  139   1HD   PRO  19          1HD       PRO  19   0.457   1.460   0.755
  140   2HD   PRO  19          2HD       PRO  19   2.175   1.464   1.229
  141    H    VAL  20           H        VAL  20  -0.625  -1.517   0.206
  142    HA   VAL  20           HA       VAL  20  -2.052  -3.627   1.446
  143    HB   VAL  20           HB       VAL  20  -1.970  -2.412  -1.346
  144   1HG1  VAL  20          1HG1      VAL  20  -4.031  -3.602  -1.944
  145   2HG1  VAL  20          2HG1      VAL  20  -2.619  -4.634  -1.860
  146   3HG1  VAL  20          3HG1      VAL  20  -3.788  -4.671  -0.525
  147   1HG2  VAL  20          1HG2      VAL  20  -2.955  -1.059   0.498
  148   2HG2  VAL  20          2HG2      VAL  20  -4.163  -1.495  -0.714
  149   3HG2  VAL  20          3HG2      VAL  20  -4.109  -2.370   0.831
  150    H    HIS  21           H        HIS  21   0.060  -3.702  -1.430
  151    HA   HIS  21           HA       HIS  21  -0.239  -6.464  -1.983
  152   1HB   HIS  21          1HB       HIS  21   1.658  -4.238  -2.615
  153   2HB   HIS  21          2HB       HIS  21   2.071  -5.871  -3.158
  154    HD1  HIS  21           HD1      HIS  21  -1.651  -5.177  -3.509
  155    HD2  HIS  21           HD2      HIS  21   1.953  -4.480  -5.595
  156    HE1  HIS  21           HE1      HIS  21  -2.291  -4.581  -5.891
  157    H    LEU  22           H        LEU  22   2.044  -4.749   0.084
  158    HA   LEU  22           HA       LEU  22   3.689  -7.077   0.667
  159   1HB   LEU  22          1HB       LEU  22   3.483  -4.310   1.943
  160   2HB   LEU  22          2HB       LEU  22   4.616  -5.542   2.430
  161    HG   LEU  22           HG       LEU  22   5.927  -4.222   1.100
  162   1HD1  LEU  22          1HD1      LEU  22   4.935  -6.212  -0.986
  163   2HD1  LEU  22          2HD1      LEU  22   6.520  -5.433  -0.905
  164   3HD1  LEU  22          3HD1      LEU  22   6.060  -6.605   0.341
  165   1HD2  LEU  22          1HD2      LEU  22   3.791  -3.996  -1.060
  166   2HD2  LEU  22          2HD2      LEU  22   4.134  -2.784   0.192
  167   3HD2  LEU  22          3HD2      LEU  22   5.365  -3.192  -1.004
  168    H    LYS  23           H        LYS  23   1.163  -5.246   2.531
  169    HA   LYS  23           HA       LYS  23   1.187  -7.027   4.753
  170   1HB   LYS  23          1HB       LYS  23   0.147  -4.810   4.833
  171   2HB   LYS  23          2HB       LYS  23  -1.006  -5.265   3.582
  172   1HG   LYS  23          1HG       LYS  23  -2.055  -5.220   5.774
  173   2HG   LYS  23          2HG       LYS  23  -2.114  -6.831   5.075
  174   1HD   LYS  23          1HD       LYS  23  -0.276  -7.567   6.553
  175   2HD   LYS  23          2HD       LYS  23  -0.138  -5.920   7.217
  176   1HE   LYS  23          1HE       LYS  23  -2.472  -6.059   8.045
  177   2HE   LYS  23          2HE       LYS  23  -2.641  -7.671   7.343
  178   1HZ   LYS  23          1HZ       LYS  23  -0.788  -6.954   9.535
  179   2HZ   LYS  23          2HZ       LYS  23  -2.191  -7.785   9.694
  180   3HZ   LYS  23          3HZ       LYS  23  -0.940  -8.456   8.874
  181    H    ARG  24           H        ARG  24  -0.311  -7.268   1.565
  182    HA   ARG  24           HA       ARG  24  -1.970  -9.546   2.121
  183   1HB   ARG  24          1HB       ARG  24  -2.430  -8.242   0.209
  184   2HB   ARG  24          2HB       ARG  24  -0.802  -8.327  -0.394
  185   1HG   ARG  24          1HG       ARG  24  -2.755 -10.670  -0.327
  186   2HG   ARG  24          2HG       ARG  24  -2.494  -9.598  -1.692
  187   1HD   ARG  24          1HD       ARG  24  -0.684 -11.766  -0.662
  188   2HD   ARG  24          2HD       ARG  24  -1.285 -11.464  -2.286
  189    HE   ARG  24           HE       ARG  24   0.446  -9.335  -1.314
  190   1HH1  ARG  24          1HH1      ARG  24   0.549 -12.538  -2.836
  191   2HH1  ARG  24          2HH1      ARG  24   2.157 -12.367  -3.423
  192   1HH2  ARG  24          1HH2      ARG  24   2.505  -9.085  -2.004
  193   2HH2  ARG  24          2HH2      ARG  24   3.328 -10.280  -2.963
  194    H    LEU  25           H        LEU  25   1.496  -9.258   1.311
  195    HA   LEU  25           HA       LEU  25   1.891 -12.092   0.898
  196   1HB   LEU  25          1HB       LEU  25   3.435 -10.165   0.228
  197   2HB   LEU  25          2HB       LEU  25   3.950 -10.072   1.904
  198    HG   LEU  25           HG       LEU  25   4.125 -12.651   0.290
  199   1HD1  LEU  25          1HD1      LEU  25   5.369 -10.885  -0.901
  200   2HD1  LEU  25          2HD1      LEU  25   6.244 -10.480   0.594
  201   3HD1  LEU  25          3HD1      LEU  25   6.472 -12.059  -0.179
  202   1HD2  LEU  25          1HD2      LEU  25   4.451 -13.054   2.688
  203   2HD2  LEU  25          2HD2      LEU  25   6.008 -13.144   1.895
  204   3HD2  LEU  25          3HD2      LEU  25   5.580 -11.684   2.806
  205    H    LEU  26           H        LEU  26   2.263  -9.856   3.660
  206    HA   LEU  26           HA       LEU  26   2.997 -11.866   5.546
  207   1HB   LEU  26          1HB       LEU  26   3.437  -9.531   5.897
  208   2HB   LEU  26          2HB       LEU  26   1.725  -9.133   5.960
  209    HG   LEU  26           HG       LEU  26   2.607 -11.225   7.926
  210   1HD1  LEU  26          1HD1      LEU  26   3.604  -9.586   9.474
  211   2HD1  LEU  26          2HD1      LEU  26   4.568  -9.778   8.011
  212   3HD1  LEU  26          3HD1      LEU  26   3.548  -8.337   8.204
  213   1HD2  LEU  26          1HD2      LEU  26   0.307 -10.205   7.893
  214   2HD2  LEU  26          2HD2      LEU  26   1.158  -9.969   9.427
  215   3HD2  LEU  26          3HD2      LEU  26   1.063  -8.621   8.264
  216    H    ILE  27           H        ILE  27  -0.281 -10.674   4.661
  217    HA   ILE  27           HA       ILE  27  -1.696 -12.238   6.592
  218    HB   ILE  27           HB       ILE  27  -2.460 -11.047   3.902
  219   1HG1  ILE  27          1HG1      ILE  27  -3.409 -10.391   6.730
  220   2HG1  ILE  27          2HG1      ILE  27  -2.033  -9.599   5.995
  221   1HG2  ILE  27          1HG2      ILE  27  -4.302 -12.545   5.827
  222   2HG2  ILE  27          2HG2      ILE  27  -4.844 -11.599   4.424
  223   3HG2  ILE  27          3HG2      ILE  27  -3.888 -13.044   4.180
  224   1HD1  ILE  27          1HD1      ILE  27  -3.480  -8.755   4.148
  225   2HD1  ILE  27          2HD1      ILE  27  -4.896  -9.465   4.960
  226   3HD1  ILE  27          3HD1      ILE  27  -3.986  -8.181   5.751
  227    H    LEU  28           H        LEU  28  -0.718 -12.980   3.171
  228    HA   LEU  28           HA       LEU  28  -1.801 -15.623   3.215
  229   1HB   LEU  28          1HB       LEU  28  -1.070 -14.214   1.244
  230   2HB   LEU  28          2HB       LEU  28   0.583 -14.704   1.604
  231    HG   LEU  28           HG       LEU  28  -0.528 -15.986  -0.133
  232   1HD1  LEU  28          1HD1      LEU  28  -0.084 -17.969   2.086
  233   2HD1  LEU  28          2HD1      LEU  28   0.267 -18.113   0.373
  234   3HD1  LEU  28          3HD1      LEU  28   1.248 -17.022   1.390
  235   1HD2  LEU  28          1HD2      LEU  28  -2.346 -17.561   0.246
  236   2HD2  LEU  28          2HD2      LEU  28  -2.312 -17.286   1.978
  237   3HD2  LEU  28          3HD2      LEU  28  -2.877 -15.995   0.906
  238    H    LEU  29           H        LEU  29   1.486 -14.534   3.953
  239    HA   LEU  29           HA       LEU  29   2.600 -16.999   4.691
  240   1HB   LEU  29          1HB       LEU  29   3.911 -14.935   4.592
  241   2HB   LEU  29          2HB       LEU  29   3.030 -14.275   5.973
  242    HG   LEU  29           HG       LEU  29   3.969 -16.036   7.448
  243   1HD1  LEU  29          1HD1      LEU  29   5.549 -16.880   4.967
  244   2HD1  LEU  29          2HD1      LEU  29   5.874 -17.422   6.628
  245   3HD1  LEU  29          3HD1      LEU  29   4.359 -17.864   5.853
  246   1HD2  LEU  29          1HD2      LEU  29   6.261 -15.160   7.491
  247   2HD2  LEU  29          2HD2      LEU  29   6.063 -14.500   5.854
  248   3HD2  LEU  29          3HD2      LEU  29   5.096 -13.860   7.205
  249    H    LEU  30           H        LEU  30   0.678 -14.801   6.789
  250    HA   LEU  30           HA       LEU  30   0.655 -16.512   9.076
  251   1HB   LEU  30          1HB       LEU  30   0.066 -14.094   9.053
  252   2HB   LEU  30          2HB       LEU  30  -1.403 -14.480   8.176
  253    HG   LEU  30           HG       LEU  30  -2.252 -15.816  10.078
  254   1HD1  LEU  30          1HD1      LEU  30   0.302 -14.895  11.491
  255   2HD1  LEU  30          2HD1      LEU  30  -1.107 -15.626  12.297
  256   3HD1  LEU  30          3HD1      LEU  30  -0.181 -16.572  11.140
  257   1HD2  LEU  30          1HD2      LEU  30  -2.698 -13.923  11.569
  258   2HD2  LEU  30          2HD2      LEU  30  -1.361 -13.003  10.839
  259   3HD2  LEU  30          3HD2      LEU  30  -2.801 -13.427   9.875
  260    H    LEU  31           H        LEU  31  -1.508 -16.253   6.304
  261    HA   LEU  31           HA       LEU  31  -3.432 -18.227   7.085
  262   1HB   LEU  31          1HB       LEU  31  -3.694 -16.436   5.355
  263   2HB   LEU  31          2HB       LEU  31  -2.740 -17.425   4.260
  264    HG   LEU  31           HG       LEU  31  -4.957 -18.939   5.524
  265   1HD1  LEU  31          1HD1      LEU  31  -5.663 -16.571   3.746
  266   2HD1  LEU  31          2HD1      LEU  31  -6.771 -17.859   4.276
  267   3HD1  LEU  31          3HD1      LEU  31  -6.069 -16.760   5.470
  268   1HD2  LEU  31          1HD2      LEU  31  -5.403 -19.648   3.240
  269   2HD2  LEU  31          2HD2      LEU  31  -4.355 -18.373   2.580
  270   3HD2  LEU  31          3HD2      LEU  31  -3.662 -19.718   3.514
  271   1HN   NH2  32          1HN       NH2  32  -0.124 -18.665   6.115
  272   2HN   NH2  32          2HN       NH2  32  -0.261 -20.389   5.826
  Start of MODEL   17
    1   1H    SER   1          1H        SER   1 -14.211   7.139   5.557
    2   2H    SER   1          2H        SER   1 -15.729   7.776   5.695
    3   3H    SER   1          3H        SER   1 -15.358   6.283   6.369
    4    HA   SER   1           HA       SER   1 -16.605   6.190   4.220
    5   1HB   SER   1          1HB       SER   1 -14.887   6.539   2.287
    6   2HB   SER   1          2HB       SER   1 -15.584   7.958   3.043
    7    HG   SER   1           HG       SER   1 -13.066   7.299   2.784
    8    HA   PRO   2           HA       PRO   2 -14.338   2.094   3.855
    9   1HB   PRO   2          1HB       PRO   2 -13.766   2.988   1.011
   10   2HB   PRO   2          2HB       PRO   2 -14.213   1.351   1.589
   11   1HG   PRO   2          1HG       PRO   2 -16.081   2.890   0.444
   12   2HG   PRO   2          2HG       PRO   2 -16.474   1.995   1.953
   13   1HD   PRO   2          1HD       PRO   2 -15.771   4.889   1.598
   14   2HD   PRO   2          2HD       PRO   2 -17.020   4.165   2.644
   15    HA   PRO   3           HA       PRO   3 -10.044   3.522   4.105
   16   1HB   PRO   3          1HB       PRO   3  -8.454   1.447   3.387
   17   2HB   PRO   3          2HB       PRO   3  -9.540   1.355   4.803
   18   1HG   PRO   3          1HG       PRO   3 -10.092   0.343   1.990
   19   2HG   PRO   3          2HG       PRO   3 -10.236  -0.563   3.532
   20   1HD   PRO   3          1HD       PRO   3 -12.364   0.649   2.349
   21   2HD   PRO   3          2HD       PRO   3 -12.206   0.591   4.130
   22    H    ASP   4           H        ASP   4 -11.100   4.875   2.180
   23    HA   ASP   4           HA       ASP   4  -9.624   4.625  -0.369
   24   1HB   ASP   4          1HB       ASP   4 -11.585   5.798  -1.300
   25   2HB   ASP   4          2HB       ASP   4 -12.004   4.262  -0.563
   26    H    TYR   5           H        TYR   5  -8.684   5.893   2.142
   27    HA   TYR   5           HA       TYR   5  -8.898   8.662   2.169
   28   1HB   TYR   5          1HB       TYR   5  -6.890   8.493   3.638
   29   2HB   TYR   5          2HB       TYR   5  -8.142   7.350   4.085
   30    HD1  TYR   5           HD1      TYR   5  -7.864   4.922   3.701
   31    HD2  TYR   5           HD2      TYR   5  -4.720   7.712   2.739
   32    HE1  TYR   5           HE1      TYR   5  -6.333   3.039   3.327
   33    HE2  TYR   5           HE2      TYR   5  -3.145   5.819   2.413
   34    HH   TYR   5           HH       TYR   5  -4.236   2.420   2.647
   35    H    SER   6           H        SER   6  -7.257  10.024   1.872
   36    HA   SER   6           HA       SER   6  -6.225  10.351  -0.770
   37   1HB   SER   6          1HB       SER   6  -5.687  12.052   1.702
   38   2HB   SER   6          2HB       SER   6  -5.646  12.576   0.010
   39    HG   SER   6           HG       SER   6  -7.934  12.139  -0.045
   40    H    ALA   7           H        ALA   7  -5.068   8.228  -0.197
   41    HA   ALA   7           HA       ALA   7  -2.602   7.950   1.032
   42   1HB   ALA   7          1HB       ALA   7  -3.181   6.901  -1.765
   43   2HB   ALA   7          2HB       ALA   7  -2.070   6.221  -0.543
   44   3HB   ALA   7          3HB       ALA   7  -3.816   6.175  -0.268
   45    H    ALA   8           H        ALA   8  -0.649   8.777   0.855
   46    HA   ALA   8           HA       ALA   8  -0.306  11.270  -0.239
   47   1HB   ALA   8          1HB       ALA   8   2.195  10.811   0.356
   48   2HB   ALA   8          2HB       ALA   8   0.962  10.746   1.623
   49   3HB   ALA   8          3HB       ALA   8   1.576   9.243   0.945
   50    HA   PRO   9           HA       PRO   9   0.458  11.396  -4.379
   51   1HB   PRO   9          1HB       PRO   9   2.795  12.931  -4.652
   52   2HB   PRO   9          2HB       PRO   9   1.113  13.494  -4.485
   53   1HG   PRO   9          1HG       PRO   9   3.197  13.106  -2.320
   54   2HG   PRO   9          2HG       PRO   9   2.064  14.480  -2.545
   55   1HD   PRO   9          1HD       PRO   9   1.524  12.583  -0.765
   56   2HD   PRO   9          2HD       PRO   9   0.209  13.146  -1.832
   57    H    ARG  10           H        ARG  10   0.710   9.599  -5.280
   58    HA   ARG  10           HA       ARG  10   2.755   7.736  -5.236
   59   1HB   ARG  10          1HB       ARG  10   1.947   7.012  -7.548
   60   2HB   ARG  10          2HB       ARG  10   0.864   6.957  -6.197
   61   1HG   ARG  10          1HG       ARG  10  -0.666   8.167  -7.295
   62   2HG   ARG  10          2HG       ARG  10   0.435   9.525  -7.467
   63   1HD   ARG  10          1HD       ARG  10   0.313   7.158  -9.379
   64   2HD   ARG  10          2HD       ARG  10  -0.501   8.718  -9.618
   65    HE   ARG  10           HE       ARG  10   2.210   9.238  -9.087
   66   1HH1  ARG  10          1HH1      ARG  10   0.252   7.877 -11.717
   67   2HH1  ARG  10          2HH1      ARG  10   1.372   8.265 -12.966
   68   1HH2  ARG  10          1HH2      ARG  10   3.711   9.745 -10.695
   69   2HH2  ARG  10          2HH2      ARG  10   3.427   9.378 -12.359
   70    H    GLY  11           H        GLY  11   4.753   7.865  -5.647
   71   1HA   GLY  11          1HA       GLY  11   6.784   8.192  -6.769
   72   2HA   GLY  11          2HA       GLY  11   5.822   8.536  -8.213
   73    H    ARG  12           H        ARG  12   5.079  10.586  -5.596
   74    HA   ARG  12           HA       ARG  12   6.949  12.737  -6.440
   75   1HB   ARG  12          1HB       ARG  12   3.923  12.735  -6.475
   76   2HB   ARG  12          2HB       ARG  12   4.762  14.239  -6.124
   77   1HG   ARG  12          1HG       ARG  12   5.299  12.569  -8.623
   78   2HG   ARG  12          2HG       ARG  12   4.041  13.797  -8.547
   79   1HD   ARG  12          1HD       ARG  12   7.000  14.336  -8.053
   80   2HD   ARG  12          2HD       ARG  12   6.141  14.629  -9.574
   81    HE   ARG  12           HE       ARG  12   4.774  15.923  -7.442
   82   1HH1  ARG  12          1HH1      ARG  12   7.744  16.300  -9.345
   83   2HH1  ARG  12          2HH1      ARG  12   7.834  18.010  -9.160
   84   1HH2  ARG  12          1HH2      ARG  12   4.877  18.224  -7.179
   85   2HH2  ARG  12          2HH2      ARG  12   6.150  19.126  -7.890
   86    H    PHE  13           H        PHE  13   7.942  11.727  -4.541
   87    HA   PHE  13           HA       PHE  13   8.224  11.140  -2.372
   88   1HB   PHE  13          1HB       PHE  13   7.708  14.098  -2.417
   89   2HB   PHE  13          2HB       PHE  13   8.433  13.270  -1.030
   90    HD1  PHE  13           HD1      PHE  13  10.628  11.967  -1.394
   91    HD2  PHE  13           HD2      PHE  13   9.052  14.777  -4.266
   92    HE1  PHE  13           HE1      PHE  13  12.849  12.107  -2.486
   93    HE2  PHE  13           HE2      PHE  13  11.286  14.908  -5.351
   94    HZ   PHE  13           HZ       PHE  13  13.179  13.565  -4.467
   95    H    GLY  14           H        GLY  14   6.089   9.833  -2.540
   96   1HA   GLY  14          1HA       GLY  14   4.594  10.417  -0.135
   97   2HA   GLY  14          2HA       GLY  14   3.658  10.508  -1.640
   98    H    ILE  15           H        ILE  15   3.024   8.739   0.249
   99    HA   ILE  15           HA       ILE  15   3.926   5.979  -0.453
  100    HB   ILE  15           HB       ILE  15   2.770   7.226   2.058
  101   1HG1  ILE  15          1HG1      ILE  15   5.534   6.029   1.578
  102   2HG1  ILE  15          2HG1      ILE  15   5.173   7.748   1.684
  103   1HG2  ILE  15          1HG2      ILE  15   1.892   4.932   1.736
  104   2HG2  ILE  15          2HG2      ILE  15   3.540   4.318   1.591
  105   3HG2  ILE  15          3HG2      ILE  15   2.967   5.021   3.115
  106   1HD1  ILE  15          1HD1      ILE  15   4.941   5.733   3.940
  107   2HD1  ILE  15          2HD1      ILE  15   6.072   7.082   3.783
  108   3HD1  ILE  15          3HD1      ILE  15   4.346   7.411   4.027
  109    HA   PRO  16           HA       PRO  16  -0.398   6.265  -1.926
  110   1HB   PRO  16          1HB       PRO  16  -0.169   4.597  -4.092
  111   2HB   PRO  16          2HB       PRO  16   0.323   6.314  -4.116
  112   1HG   PRO  16          1HG       PRO  16   2.087   3.885  -3.644
  113   2HG   PRO  16          2HG       PRO  16   2.352   5.227  -4.806
  114   1HD   PRO  16          1HD       PRO  16   3.532   5.213  -2.360
  115   2HD   PRO  16          2HD       PRO  16   2.931   6.734  -3.058
  116    H    PHE  17           H        PHE  17  -1.547   3.825  -2.674
  117    HA   PHE  17           HA       PHE  17  -1.753   2.315  -0.315
  118   1HB   PHE  17          1HB       PHE  17  -3.124   0.812  -1.798
  119   2HB   PHE  17          2HB       PHE  17  -3.552   2.505  -1.893
  120    HD1  PHE  17           HD1      PHE  17  -3.565   3.660  -3.982
  121    HD2  PHE  17           HD2      PHE  17  -1.623  -0.190  -3.691
  122    HE1  PHE  17           HE1      PHE  17  -3.224   3.636  -6.433
  123    HE2  PHE  17           HE2      PHE  17  -1.278  -0.194  -6.141
  124    HZ   PHE  17           HZ       PHE  17  -2.075   1.713  -7.518
  125    H    PHE  18           H        PHE  18   1.103   2.290  -1.495
  126    HA   PHE  18           HA       PHE  18   1.636  -0.217  -2.694
  127   1HB   PHE  18          1HB       PHE  18   3.903   0.195  -2.522
  128   2HB   PHE  18          2HB       PHE  18   3.185   1.781  -2.635
  129    HD1  PHE  18           HD1      PHE  18   4.551  -0.656  -0.106
  130    HD2  PHE  18           HD2      PHE  18   4.048   3.457  -1.281
  131    HE1  PHE  18           HE1      PHE  18   6.096   0.044   1.687
  132    HE2  PHE  18           HE2      PHE  18   5.705   4.132   0.430
  133    HZ   PHE  18           HZ       PHE  18   6.690   2.441   1.955
  134    HA   PRO  19           HA       PRO  19   2.709  -1.952   1.632
  135   1HB   PRO  19          1HB       PRO  19   1.095  -1.307   3.789
  136   2HB   PRO  19          2HB       PRO  19   2.680  -0.567   3.410
  137   1HG   PRO  19          1HG       PRO  19  -0.079   0.461   2.698
  138   2HG   PRO  19          2HG       PRO  19   1.296   1.367   3.412
  139   1HD   PRO  19          1HD       PRO  19   0.787   1.509   0.818
  140   2HD   PRO  19          2HD       PRO  19   2.476   1.364   1.358
  141    H    VAL  20           H        VAL  20  -0.452  -1.546   0.210
  142    HA   VAL  20           HA       VAL  20  -1.913  -3.684   1.350
  143    HB   VAL  20           HB       VAL  20  -1.712  -2.420  -1.414
  144   1HG1  VAL  20          1HG1      VAL  20  -3.568  -4.694  -0.715
  145   2HG1  VAL  20          2HG1      VAL  20  -3.727  -3.614  -2.136
  146   3HG1  VAL  20          3HG1      VAL  20  -2.330  -4.658  -1.981
  147   1HG2  VAL  20          1HG2      VAL  20  -2.798  -1.116   0.415
  148   2HG2  VAL  20          2HG2      VAL  20  -3.940  -1.533  -0.866
  149   3HG2  VAL  20          3HG2      VAL  20  -3.956  -2.443   0.658
  150    H    HIS  21           H        HIS  21   0.331  -3.712  -1.425
  151    HA   HIS  21           HA       HIS  21   0.055  -6.469  -2.039
  152   1HB   HIS  21          1HB       HIS  21   1.974  -4.231  -2.558
  153   2HB   HIS  21          2HB       HIS  21   2.419  -5.857  -3.095
  154    HD1  HIS  21           HD1      HIS  21  -1.271  -4.778  -3.543
  155    HD2  HIS  21           HD2      HIS  21   2.415  -4.831  -5.602
  156    HE1  HIS  21           HE1      HIS  21  -1.791  -4.303  -5.984
  157    H    LEU  22           H        LEU  22   2.211  -4.779   0.155
  158    HA   LEU  22           HA       LEU  22   3.865  -7.096   0.777
  159   1HB   LEU  22          1HB       LEU  22   3.587  -4.327   2.037
  160   2HB   LEU  22          2HB       LEU  22   4.707  -5.545   2.585
  161    HG   LEU  22           HG       LEU  22   6.054  -4.212   1.302
  162   1HD1  LEU  22          1HD1      LEU  22   5.211  -6.261  -0.794
  163   2HD1  LEU  22          2HD1      LEU  22   6.775  -5.452  -0.637
  164   3HD1  LEU  22          3HD1      LEU  22   6.264  -6.612   0.601
  165   1HD2  LEU  22          1HD2      LEU  22   4.255  -2.848   0.272
  166   2HD2  LEU  22          2HD2      LEU  22   5.585  -3.216  -0.828
  167   3HD2  LEU  22          3HD2      LEU  22   4.050  -4.082  -0.987
  168    H    LYS  23           H        LYS  23   1.250  -5.305   2.563
  169    HA   LYS  23           HA       LYS  23   1.230  -7.149   4.741
  170   1HB   LYS  23          1HB       LYS  23   0.170  -4.957   4.906
  171   2HB   LYS  23          2HB       LYS  23  -0.944  -5.350   3.599
  172   1HG   LYS  23          1HG       LYS  23  -2.055  -5.435   5.769
  173   2HG   LYS  23          2HG       LYS  23  -2.088  -6.996   4.964
  174   1HD   LYS  23          1HD       LYS  23  -0.248  -7.796   6.443
  175   2HD   LYS  23          2HD       LYS  23  -0.222  -6.213   7.253
  176   1HE   LYS  23          1HE       LYS  23  -2.540  -6.535   8.004
  177   2HE   LYS  23          2HE       LYS  23  -2.674  -8.027   7.070
  178   1HZ   LYS  23          1HZ       LYS  23  -0.876  -7.642   9.389
  179   2HZ   LYS  23          2HZ       LYS  23  -2.284  -8.480   9.392
  180   3HZ   LYS  23          3HZ       LYS  23  -1.020  -9.030   8.510
  181    H    ARG  24           H        ARG  24  -0.157  -7.323   1.494
  182    HA   ARG  24           HA       ARG  24  -1.816  -9.621   1.960
  183   1HB   ARG  24          1HB       ARG  24  -2.202  -8.324   0.033
  184   2HB   ARG  24          2HB       ARG  24  -0.549  -8.392  -0.499
  185   1HG   ARG  24          1HG       ARG  24  -2.482 -10.752  -0.510
  186   2HG   ARG  24          2HG       ARG  24  -2.167  -9.685  -1.867
  187   1HD   ARG  24          1HD       ARG  24  -0.414 -11.851  -0.750
  188   2HD   ARG  24          2HD       ARG  24  -0.906 -11.532  -2.408
  189    HE   ARG  24           HE       ARG  24   0.718  -9.376  -1.403
  190   1HH1  ARG  24          1HH1      ARG  24   1.063 -12.704  -2.586
  191   2HH1  ARG  24          2HH1      ARG  24   2.728 -12.538  -2.993
  192   1HH2  ARG  24          1HH2      ARG  24   2.840  -9.133  -1.857
  193   2HH2  ARG  24          2HH2      ARG  24   3.790 -10.378  -2.614
  194    H    LEU  25           H        LEU  25   1.685  -9.309   1.364
  195    HA   LEU  25           HA       LEU  25   2.136 -12.131   0.956
  196   1HB   LEU  25          1HB       LEU  25   3.692 -10.133   0.447
  197   2HB   LEU  25          2HB       LEU  25   4.113 -10.135   2.150
  198    HG   LEU  25           HG       LEU  25   4.399 -12.596   0.372
  199   1HD1  LEU  25          1HD1      LEU  25   6.483 -10.463   1.005
  200   2HD1  LEU  25          2HD1      LEU  25   6.771 -11.974   0.122
  201   3HD1  LEU  25          3HD1      LEU  25   5.719 -10.740  -0.577
  202   1HD2  LEU  25          1HD2      LEU  25   4.542 -13.201   2.736
  203   2HD2  LEU  25          2HD2      LEU  25   6.161 -13.221   2.069
  204   3HD2  LEU  25          3HD2      LEU  25   5.647 -11.846   3.065
  205    H    LEU  26           H        LEU  26   2.241  -9.926   3.771
  206    HA   LEU  26           HA       LEU  26   2.859 -11.962   5.678
  207   1HB   LEU  26          1HB       LEU  26   3.235  -9.595   6.110
  208   2HB   LEU  26          2HB       LEU  26   1.503  -9.267   6.018
  209    HG   LEU  26           HG       LEU  26   1.108 -10.605   8.062
  210   1HD1  LEU  26          1HD1      LEU  26   2.961 -12.235   7.960
  211   2HD1  LEU  26          2HD1      LEU  26   4.153 -10.929   8.126
  212   3HD1  LEU  26          3HD1      LEU  26   3.052 -11.325   9.462
  213   1HD2  LEU  26          1HD2      LEU  26   1.579  -8.167   8.191
  214   2HD2  LEU  26          2HD2      LEU  26   2.132  -9.045   9.638
  215   3HD2  LEU  26          3HD2      LEU  26   3.300  -8.529   8.412
  216    H    ILE  27           H        ILE  27  -0.332 -10.803   4.498
  217    HA   ILE  27           HA       ILE  27  -1.913 -12.346   6.325
  218    HB   ILE  27           HB       ILE  27  -2.443 -11.192   3.562
  219   1HG1  ILE  27          1HG1      ILE  27  -3.628 -10.490   6.288
  220   2HG1  ILE  27          2HG1      ILE  27  -2.186  -9.719   5.668
  221   1HG2  ILE  27          1HG2      ILE  27  -4.444 -12.654   5.352
  222   2HG2  ILE  27          2HG2      ILE  27  -4.861 -11.735   3.889
  223   3HG2  ILE  27          3HG2      ILE  27  -3.890 -13.188   3.758
  224   1HD1  ILE  27          1HD1      ILE  27  -4.942  -9.572   4.384
  225   2HD1  ILE  27          2HD1      ILE  27  -4.086  -8.287   5.237
  226   3HD1  ILE  27          3HD1      ILE  27  -3.452  -8.886   3.690
  227    H    LEU  28           H        LEU  28  -0.661 -13.091   3.001
  228    HA   LEU  28           HA       LEU  28  -1.641 -15.771   2.952
  229   1HB   LEU  28          1HB       LEU  28  -0.777 -14.349   1.062
  230   2HB   LEU  28          2HB       LEU  28   0.853 -14.747   1.597
  231    HG   LEU  28           HG       LEU  28   0.010 -16.097  -0.238
  232   1HD1  LEU  28          1HD1      LEU  28   1.655 -17.008   1.511
  233   2HD1  LEU  28          2HD1      LEU  28   0.309 -18.042   2.034
  234   3HD1  LEU  28          3HD1      LEU  28   0.883 -18.155   0.378
  235   1HD2  LEU  28          1HD2      LEU  28  -1.925 -17.475   1.684
  236   2HD2  LEU  28          2HD2      LEU  28  -2.430 -16.250   0.520
  237   3HD2  LEU  28          3HD2      LEU  28  -1.731 -17.791  -0.032
  238    H    LEU  29           H        LEU  29   1.536 -14.583   4.030
  239    HA   LEU  29           HA       LEU  29   2.573 -17.054   4.863
  240   1HB   LEU  29          1HB       LEU  29   3.823 -14.928   4.806
  241   2HB   LEU  29          2HB       LEU  29   2.914 -14.313   6.172
  242    HG   LEU  29           HG       LEU  29   5.259 -15.050   6.593
  243   1HD1  LEU  29          1HD1      LEU  29   3.585 -14.787   8.432
  244   2HD1  LEU  29          2HD1      LEU  29   3.328 -16.546   8.386
  245   3HD1  LEU  29          3HD1      LEU  29   4.920 -15.900   8.776
  246   1HD2  LEU  29          1HD2      LEU  29   5.260 -17.107   5.216
  247   2HD2  LEU  29          2HD2      LEU  29   5.833 -17.380   6.870
  248   3HD2  LEU  29          3HD2      LEU  29   4.204 -17.893   6.411
  249    H    LEU  30           H        LEU  30   0.360 -14.934   6.713
  250    HA   LEU  30           HA       LEU  30   0.255 -16.678   9.010
  251   1HB   LEU  30          1HB       LEU  30  -0.315 -14.238   8.973
  252   2HB   LEU  30          2HB       LEU  30  -1.740 -14.621   8.026
  253    HG   LEU  30           HG       LEU  30  -2.660 -15.984   9.889
  254   1HD1  LEU  30          1HD1      LEU  30  -0.194 -15.009  11.418
  255   2HD1  LEU  30          2HD1      LEU  30  -1.623 -15.773  12.157
  256   3HD1  LEU  30          3HD1      LEU  30  -0.620 -16.696  11.047
  257   1HD2  LEU  30          1HD2      LEU  30  -3.206 -14.095  11.351
  258   2HD2  LEU  30          2HD2      LEU  30  -1.854 -13.154  10.678
  259   3HD2  LEU  30          3HD2      LEU  30  -3.242 -13.607   9.652
  260    H    LEU  31           H        LEU  31  -1.742 -16.331   6.095
  261    HA   LEU  31           HA       LEU  31  -3.113 -18.868   6.633
  262   1HB   LEU  31          1HB       LEU  31  -4.513 -16.980   7.473
  263   2HB   LEU  31          2HB       LEU  31  -4.424 -16.231   5.876
  264    HG   LEU  31           HG       LEU  31  -5.609 -18.225   4.911
  265   1HD1  LEU  31          1HD1      LEU  31  -5.905 -19.051   7.836
  266   2HD1  LEU  31          2HD1      LEU  31  -6.807 -19.756   6.477
  267   3HD1  LEU  31          3HD1      LEU  31  -5.058 -19.958   6.565
  268   1HD2  LEU  31          1HD2      LEU  31  -7.823 -17.631   5.807
  269   2HD2  LEU  31          2HD2      LEU  31  -7.060 -16.820   7.193
  270   3HD2  LEU  31          3HD2      LEU  31  -6.835 -16.187   5.545
  271   1HN   NH2  32          1HN       NH2  32  -1.448 -19.549   5.132
  272   2HN   NH2  32          2HN       NH2  32  -1.786 -19.385   3.424
  Start of MODEL   18
    1   1H    SER   1          1H        SER   1 -13.341  21.991  -3.429
    2   2H    SER   1          2H        SER   1 -12.685  20.486  -3.324
    3   3H    SER   1          3H        SER   1 -11.709  21.791  -3.085
    4    HA   SER   1           HA       SER   1 -11.834  22.376  -5.353
    5   1HB   SER   1          1HB       SER   1 -11.156  20.015  -6.319
    6   2HB   SER   1          2HB       SER   1 -10.165  20.749  -5.049
    7    HG   SER   1           HG       SER   1 -11.030  18.433  -4.957
    8    HA   PRO   2           HA       PRO   2 -15.529  20.727  -7.646
    9   1HB   PRO   2          1HB       PRO   2 -14.435  19.960 -10.056
   10   2HB   PRO   2          2HB       PRO   2 -14.803  21.668  -9.660
   11   1HG   PRO   2          1HG       PRO   2 -12.145  20.220  -9.440
   12   2HG   PRO   2          2HG       PRO   2 -12.481  21.810 -10.200
   13   1HD   PRO   2          1HD       PRO   2 -11.517  21.620  -7.671
   14   2HD   PRO   2          2HD       PRO   2 -12.706  22.872  -8.110
   15    HA   PRO   3           HA       PRO   3 -14.803  16.391  -6.783
   16   1HB   PRO   3          1HB       PRO   3 -16.109  14.976  -8.761
   17   2HB   PRO   3          2HB       PRO   3 -16.929  15.801  -7.400
   18   1HG   PRO   3          1HG       PRO   3 -16.514  16.825 -10.224
   19   2HG   PRO   3          2HG       PRO   3 -18.012  16.857  -9.240
   20   1HD   PRO   3          1HD       PRO   3 -16.404  19.030  -9.448
   21   2HD   PRO   3          2HD       PRO   3 -17.199  18.631  -7.898
   22    H    ASP   4           H        ASP   4 -12.618  15.886  -6.965
   23    HA   ASP   4           HA       ASP   4 -11.460  15.344  -9.569
   24   1HB   ASP   4          1HB       ASP   4  -9.594  16.544  -8.929
   25   2HB   ASP   4          2HB       ASP   4 -10.903  17.610  -8.464
   26    H    TYR   5           H        TYR   5  -9.222  14.224  -8.963
   27    HA   TYR   5           HA       TYR   5  -9.655  12.063  -7.011
   28   1HB   TYR   5          1HB       TYR   5  -8.814  10.582  -8.882
   29   2HB   TYR   5          2HB       TYR   5 -10.457  11.157  -9.004
   30    HD1  TYR   5           HD1      TYR   5  -7.052  11.371 -10.454
   31    HD2  TYR   5           HD2      TYR   5 -11.137  12.716 -10.769
   32    HE1  TYR   5           HE1      TYR   5  -6.600  12.218 -12.747
   33    HE2  TYR   5           HE2      TYR   5 -10.696  13.575 -13.036
   34    HH   TYR   5           HH       TYR   5  -9.096  13.853 -14.711
   35    H    SER   6           H        SER   6  -8.018  14.328  -6.534
   36    HA   SER   6           HA       SER   6  -5.237  13.737  -7.015
   37   1HB   SER   6          1HB       SER   6  -6.506  15.558  -4.933
   38   2HB   SER   6          2HB       SER   6  -4.827  15.587  -5.512
   39    HG   SER   6           HG       SER   6  -7.233  16.250  -6.815
   40    H    ALA   7           H        ALA   7  -6.046  11.453  -6.299
   41    HA   ALA   7           HA       ALA   7  -6.100  10.710  -3.539
   42   1HB   ALA   7          1HB       ALA   7  -5.293   9.045  -5.971
   43   2HB   ALA   7          2HB       ALA   7  -5.831   8.410  -4.399
   44   3HB   ALA   7          3HB       ALA   7  -6.964   9.310  -5.421
   45    H    ALA   8           H        ALA   8  -4.470   9.031  -2.752
   46    HA   ALA   8           HA       ALA   8  -2.335  10.237  -1.708
   47   1HB   ALA   8          1HB       ALA   8  -1.448   8.020  -1.152
   48   2HB   ALA   8          2HB       ALA   8  -3.202   8.096  -0.931
   49   3HB   ALA   8          3HB       ALA   8  -2.518   7.276  -2.360
   50    HA   PRO   9           HA       PRO   9   0.221  10.967  -5.241
   51   1HB   PRO   9          1HB       PRO   9   2.559  11.871  -3.979
   52   2HB   PRO   9          2HB       PRO   9   1.107  12.841  -4.369
   53   1HG   PRO   9          1HG       PRO   9   1.825  11.515  -1.751
   54   2HG   PRO   9          2HG       PRO   9   1.134  13.142  -2.026
   55   1HD   PRO   9          1HD       PRO   9  -0.395  11.033  -1.271
   56   2HD   PRO   9          2HD       PRO   9  -1.020  12.247  -2.432
   57    H    ARG  10           H        ARG  10   1.824  10.110  -6.441
   58    HA   ARG  10           HA       ARG  10   3.258   7.704  -5.488
   59   1HB   ARG  10          1HB       ARG  10   2.562   6.724  -7.798
   60   2HB   ARG  10          2HB       ARG  10   1.400   6.671  -6.480
   61   1HG   ARG  10          1HG       ARG  10   0.086   8.436  -7.363
   62   2HG   ARG  10          2HG       ARG  10   1.322   8.939  -8.514
   63   1HD   ARG  10          1HD       ARG  10  -0.005   6.210  -8.675
   64   2HD   ARG  10          2HD       ARG  10  -0.718   7.670  -9.385
   65    HE   ARG  10           HE       ARG  10   2.018   7.381 -10.182
   66   1HH1  ARG  10          1HH1      ARG  10  -1.258   6.252 -10.935
   67   2HH1  ARG  10          2HH1      ARG  10  -0.941   5.907 -12.591
   68   1HH2  ARG  10          1HH2      ARG  10   2.478   6.916 -12.421
   69   2HH2  ARG  10          2HH2      ARG  10   1.249   6.295 -13.446
   70    H    GLY  11           H        GLY  11   5.303   7.558  -6.389
   71   1HA   GLY  11          1HA       GLY  11   7.119   7.999  -7.699
   72   2HA   GLY  11          2HA       GLY  11   6.029   8.681  -8.912
   73    H    ARG  12           H        ARG  12   5.608  10.365  -6.010
   74    HA   ARG  12           HA       ARG  12   7.867  12.185  -6.238
   75   1HB   ARG  12          1HB       ARG  12   4.980  13.141  -6.601
   76   2HB   ARG  12          2HB       ARG  12   6.346  14.175  -6.164
   77   1HG   ARG  12          1HG       ARG  12   7.467  13.541  -8.332
   78   2HG   ARG  12          2HG       ARG  12   6.023  12.611  -8.756
   79   1HD   ARG  12          1HD       ARG  12   5.840  14.702  -9.865
   80   2HD   ARG  12          2HD       ARG  12   4.648  14.707  -8.573
   81    HE   ARG  12           HE       ARG  12   7.189  16.227  -8.766
   82   1HH1  ARG  12          1HH1      ARG  12   4.203  15.709  -6.912
   83   2HH1  ARG  12          2HH1      ARG  12   4.315  17.178  -6.020
   84   1HH2  ARG  12          1HH2      ARG  12   7.351  18.204  -7.583
   85   2HH2  ARG  12          2HH2      ARG  12   6.167  18.628  -6.415
   86    H    PHE  13           H        PHE  13   8.402  11.452  -4.275
   87    HA   PHE  13           HA       PHE  13   8.178  10.683  -2.069
   88   1HB   PHE  13          1HB       PHE  13   7.868  13.693  -2.096
   89   2HB   PHE  13          2HB       PHE  13   8.446  12.737  -0.734
   90    HD1  PHE  13           HD1      PHE  13  10.591  11.336  -1.019
   91    HD2  PHE  13           HD2      PHE  13   9.380  14.391  -3.821
   92    HE1  PHE  13           HE1      PHE  13  12.890  11.410  -1.944
   93    HE2  PHE  13           HE2      PHE  13  11.690  14.453  -4.738
   94    HZ   PHE  13           HZ       PHE  13  13.440  12.962  -3.802
   95    H    GLY  14           H        GLY  14   6.154   9.427  -2.099
   96   1HA   GLY  14          1HA       GLY  14   4.116  10.553  -0.372
   97   2HA   GLY  14          2HA       GLY  14   3.612  10.224  -2.048
   98    H    ILE  15           H        ILE  15   2.406   8.859  -0.048
   99    HA   ILE  15           HA       ILE  15   3.521   6.077  -0.055
  100    HB   ILE  15           HB       ILE  15   1.964   7.599   2.055
  101   1HG1  ILE  15          1HG1      ILE  15   4.792   6.449   2.134
  102   2HG1  ILE  15          2HG1      ILE  15   4.384   8.155   1.997
  103   1HG2  ILE  15          1HG2      ILE  15   1.200   5.232   1.881
  104   2HG2  ILE  15          2HG2      ILE  15   2.859   4.686   2.121
  105   3HG2  ILE  15          3HG2      ILE  15   2.001   5.561   3.404
  106   1HD1  ILE  15          1HD1      ILE  15   3.241   8.049   4.222
  107   2HD1  ILE  15          2HD1      ILE  15   3.864   6.388   4.408
  108   3HD1  ILE  15          3HD1      ILE  15   4.988   7.744   4.263
  109    HA   PRO  16           HA       PRO  16  -0.493   6.073  -2.247
  110   1HB   PRO  16          1HB       PRO  16   0.163   4.382  -4.288
  111   2HB   PRO  16          2HB       PRO  16   0.610   6.112  -4.299
  112   1HG   PRO  16          1HG       PRO  16   2.333   3.757  -3.468
  113   2HG   PRO  16          2HG       PRO  16   2.752   5.088  -4.595
  114   1HD   PRO  16          1HD       PRO  16   3.476   5.115  -1.957
  115   2HD   PRO  16          2HD       PRO  16   3.058   6.610  -2.810
  116    H    PHE  17           H        PHE  17  -1.391   3.577  -3.037
  117    HA   PHE  17           HA       PHE  17  -1.819   2.140  -0.641
  118   1HB   PHE  17          1HB       PHE  17  -2.987   0.552  -2.184
  119   2HB   PHE  17          2HB       PHE  17  -3.456   2.223  -2.382
  120    HD1  PHE  17           HD1      PHE  17  -1.427  -0.536  -3.926
  121    HD2  PHE  17           HD2      PHE  17  -3.194   3.373  -4.478
  122    HE1  PHE  17           HE1      PHE  17  -0.902  -0.632  -6.330
  123    HE2  PHE  17           HE2      PHE  17  -2.664   3.260  -6.892
  124    HZ   PHE  17           HZ       PHE  17  -1.511   1.258  -7.827
  125    H    PHE  18           H        PHE  18   1.147   2.227  -1.467
  126    HA   PHE  18           HA       PHE  18   1.951  -0.242  -2.555
  127   1HB   PHE  18          1HB       PHE  18   4.148   0.297  -2.069
  128   2HB   PHE  18          2HB       PHE  18   3.370   1.845  -2.260
  129    HD1  PHE  18           HD1      PHE  18   3.590   3.532  -0.574
  130    HD2  PHE  18           HD2      PHE  18   4.733  -0.545   0.240
  131    HE1  PHE  18           HE1      PHE  18   4.905   4.270   1.398
  132    HE2  PHE  18           HE2      PHE  18   5.920   0.196   2.281
  133    HZ   PHE  18           HZ       PHE  18   6.016   2.610   2.856
  134    HA   PRO  19           HA       PRO  19   2.434  -2.047   1.818
  135   1HB   PRO  19          1HB       PRO  19   0.887  -1.267   3.942
  136   2HB   PRO  19          2HB       PRO  19   2.436  -0.494   3.498
  137   1HG   PRO  19          1HG       PRO  19  -0.362   0.392   2.718
  138   2HG   PRO  19          2HG       PRO  19   0.941   1.376   3.468
  139   1HD   PRO  19          1HD       PRO  19   0.533   1.413   0.836
  140   2HD   PRO  19          2HD       PRO  19   2.193   1.403   1.482
  141    H    VAL  20           H        VAL  20  -0.224  -1.803  -0.139
  142    HA   VAL  20           HA       VAL  20  -2.000  -3.740   1.127
  143    HB   VAL  20           HB       VAL  20  -1.609  -2.532  -1.660
  144   1HG1  VAL  20          1HG1      VAL  20  -3.468  -4.821  -1.018
  145   2HG1  VAL  20          2HG1      VAL  20  -3.663  -3.710  -2.417
  146   3HG1  VAL  20          3HG1      VAL  20  -2.239  -4.701  -2.296
  147   1HG2  VAL  20          1HG2      VAL  20  -3.850  -1.600  -1.266
  148   2HG2  VAL  20          2HG2      VAL  20  -3.978  -2.476   0.271
  149   3HG2  VAL  20          3HG2      VAL  20  -2.783  -1.172   0.075
  150    H    HIS  21           H        HIS  21   0.106  -3.937  -1.703
  151    HA   HIS  21           HA       HIS  21  -0.047  -6.647  -2.157
  152   1HB   HIS  21          1HB       HIS  21   2.108  -4.604  -2.561
  153   2HB   HIS  21          2HB       HIS  21   2.105  -6.149  -3.439
  154    HD1  HIS  21           HD1      HIS  21  -0.329  -6.225  -5.160
  155    HD2  HIS  21           HD2      HIS  21   1.042  -2.591  -3.503
  156    HE1  HIS  21           HE1      HIS  21  -1.542  -4.358  -6.389
  157    H    LEU  22           H        LEU  22   2.415  -4.920  -0.251
  158    HA   LEU  22           HA       LEU  22   3.868  -7.251   0.547
  159   1HB   LEU  22          1HB       LEU  22   3.661  -4.501   1.848
  160   2HB   LEU  22          2HB       LEU  22   4.794  -5.755   2.285
  161    HG   LEU  22           HG       LEU  22   6.148  -4.460   0.994
  162   1HD1  LEU  22          1HD1      LEU  22   6.591  -5.491  -1.155
  163   2HD1  LEU  22          2HD1      LEU  22   6.130  -6.758  -0.007
  164   3HD1  LEU  22          3HD1      LEU  22   4.968  -6.189  -1.231
  165   1HD2  LEU  22          1HD2      LEU  22   4.389  -2.856   0.318
  166   2HD2  LEU  22          2HD2      LEU  22   5.553  -3.195  -0.968
  167   3HD2  LEU  22          3HD2      LEU  22   3.944  -3.923  -1.033
  168    H    LYS  23           H        LYS  23   1.195  -5.411   2.235
  169    HA   LYS  23           HA       LYS  23   1.389  -7.165   4.537
  170   1HB   LYS  23          1HB       LYS  23   0.427  -4.915   4.617
  171   2HB   LYS  23          2HB       LYS  23  -0.917  -5.445   3.566
  172   1HG   LYS  23          1HG       LYS  23  -1.806  -6.849   5.266
  173   2HG   LYS  23          2HG       LYS  23  -0.327  -6.774   6.229
  174   1HD   LYS  23          1HD       LYS  23  -2.146  -5.451   7.201
  175   2HD   LYS  23          2HD       LYS  23  -0.736  -4.467   6.845
  176   1HE   LYS  23          1HE       LYS  23  -3.099  -4.663   4.924
  177   2HE   LYS  23          2HE       LYS  23  -3.118  -3.562   6.304
  178   1HZ   LYS  23          1HZ       LYS  23  -1.145  -2.494   5.438
  179   2HZ   LYS  23          2HZ       LYS  23  -1.112  -3.470   4.114
  180   3HZ   LYS  23          3HZ       LYS  23  -2.365  -2.434   4.344
  181    H    ARG  24           H        ARG  24  -0.195  -7.361   1.404
  182    HA   ARG  24           HA       ARG  24  -1.838  -9.634   2.050
  183   1HB   ARG  24          1HB       ARG  24  -2.387  -8.304   0.151
  184   2HB   ARG  24          2HB       ARG  24  -0.813  -8.511  -0.575
  185   1HG   ARG  24          1HG       ARG  24  -2.215 -11.102  -0.169
  186   2HG   ARG  24          2HG       ARG  24  -3.131  -9.957  -1.123
  187   1HD   ARG  24          1HD       ARG  24  -1.806 -11.307  -2.619
  188   2HD   ARG  24          2HD       ARG  24  -1.273  -9.637  -2.680
  189    HE   ARG  24           HE       ARG  24   0.766 -10.178  -1.731
  190   1HH1  ARG  24          1HH1      ARG  24  -1.304 -13.045  -1.480
  191   2HH1  ARG  24          2HH1      ARG  24  -0.025 -14.192  -1.553
  192   1HH2  ARG  24          1HH2      ARG  24   2.517 -11.712  -1.892
  193   2HH2  ARG  24          2HH2      ARG  24   2.211 -13.399  -1.735
  194    H    LEU  25           H        LEU  25   1.590  -9.300   1.189
  195    HA   LEU  25           HA       LEU  25   2.028 -12.133   0.784
  196   1HB   LEU  25          1HB       LEU  25   3.542 -10.165   0.110
  197   2HB   LEU  25          2HB       LEU  25   4.079 -10.106   1.780
  198    HG   LEU  25           HG       LEU  25   4.239 -12.660   0.133
  199   1HD1  LEU  25          1HD1      LEU  25   6.350 -10.477   0.398
  200   2HD1  LEU  25          2HD1      LEU  25   6.573 -12.051  -0.387
  201   3HD1  LEU  25          3HD1      LEU  25   5.445 -10.881  -1.079
  202   1HD2  LEU  25          1HD2      LEU  25   6.148 -13.162   1.698
  203   2HD2  LEU  25          2HD2      LEU  25   5.747 -11.702   2.620
  204   3HD2  LEU  25          3HD2      LEU  25   4.609 -13.063   2.528
  205    H    LEU  26           H        LEU  26   2.377  -9.902   3.553
  206    HA   LEU  26           HA       LEU  26   3.107 -11.877   5.446
  207   1HB   LEU  26          1HB       LEU  26   3.354  -9.459   5.831
  208   2HB   LEU  26          2HB       LEU  26   1.597  -9.272   5.884
  209    HG   LEU  26           HG       LEU  26   1.486 -10.691   7.920
  210   1HD1  LEU  26          1HD1      LEU  26   4.540 -10.711   7.721
  211   2HD1  LEU  26          2HD1      LEU  26   3.605 -11.210   9.147
  212   3HD1  LEU  26          3HD1      LEU  26   3.457 -12.125   7.654
  213   1HD2  LEU  26          1HD2      LEU  26   1.676  -8.247   8.100
  214   2HD2  LEU  26          2HD2      LEU  26   2.490  -9.056   9.445
  215   3HD2  LEU  26          3HD2      LEU  26   3.453  -8.374   8.118
  216    H    ILE  27           H        ILE  27  -0.193 -10.685   4.632
  217    HA   ILE  27           HA       ILE  27  -1.598 -12.298   6.489
  218    HB   ILE  27           HB       ILE  27  -2.364 -11.067   3.820
  219   1HG1  ILE  27          1HG1      ILE  27  -3.338 -10.406   6.640
  220   2HG1  ILE  27          2HG1      ILE  27  -1.896  -9.670   5.965
  221   1HG2  ILE  27          1HG2      ILE  27  -3.836 -13.027   4.073
  222   2HG2  ILE  27          2HG2      ILE  27  -4.220 -12.554   5.736
  223   3HG2  ILE  27          3HG2      ILE  27  -4.759 -11.563   4.364
  224   1HD1  ILE  27          1HD1      ILE  27  -3.230  -8.734   4.082
  225   2HD1  ILE  27          2HD1      ILE  27  -4.707  -9.393   4.825
  226   3HD1  ILE  27          3HD1      ILE  27  -3.768  -8.166   5.678
  227    H    LEU  28           H        LEU  28  -0.542 -13.045   3.103
  228    HA   LEU  28           HA       LEU  28  -1.638 -15.708   3.117
  229   1HB   LEU  28          1HB       LEU  28  -0.916 -14.293   1.157
  230   2HB   LEU  28          2HB       LEU  28   0.748 -14.723   1.549
  231    HG   LEU  28           HG       LEU  28  -0.264 -16.041  -0.207
  232   1HD1  LEU  28          1HD1      LEU  28   0.596 -18.137   0.325
  233   2HD1  LEU  28          2HD1      LEU  28   1.490 -17.016   1.393
  234   3HD1  LEU  28          3HD1      LEU  28   0.164 -18.011   2.023
  235   1HD2  LEU  28          1HD2      LEU  28  -2.032 -17.694   0.123
  236   2HD2  LEU  28          2HD2      LEU  28  -2.085 -17.378   1.848
  237   3HD2  LEU  28          3HD2      LEU  28  -2.642 -16.133   0.731
  238    H    LEU  29           H        LEU  29   1.632 -14.534   3.914
  239    HA   LEU  29           HA       LEU  29   2.728 -17.030   4.623
  240   1HB   LEU  29          1HB       LEU  29   4.035 -14.937   4.435
  241   2HB   LEU  29          2HB       LEU  29   3.225 -14.288   5.860
  242    HG   LEU  29           HG       LEU  29   4.266 -16.057   7.273
  243   1HD1  LEU  29          1HD1      LEU  29   6.171 -17.359   6.340
  244   2HD1  LEU  29          2HD1      LEU  29   4.641 -17.829   5.606
  245   3HD1  LEU  29          3HD1      LEU  29   5.767 -16.783   4.707
  246   1HD2  LEU  29          1HD2      LEU  29   6.526 -15.094   7.219
  247   2HD2  LEU  29          2HD2      LEU  29   6.210 -14.397   5.615
  248   3HD2  LEU  29          3HD2      LEU  29   5.294 -13.841   7.037
  249    H    LEU  30           H        LEU  30   0.661 -14.917   6.615
  250    HA   LEU  30           HA       LEU  30   0.743 -16.618   8.953
  251   1HB   LEU  30          1HB       LEU  30   0.167 -14.220   9.027
  252   2HB   LEU  30          2HB       LEU  30  -1.241 -14.524   8.025
  253    HG   LEU  30           HG       LEU  30  -2.234 -15.951   9.822
  254   1HD1  LEU  30          1HD1      LEU  30  -0.213 -16.680  11.012
  255   2HD1  LEU  30          2HD1      LEU  30   0.173 -14.999  11.450
  256   3HD1  LEU  30          3HD1      LEU  30  -1.268 -15.802  12.116
  257   1HD2  LEU  30          1HD2      LEU  30  -2.819 -13.580   9.607
  258   2HD2  LEU  30          2HD2      LEU  30  -2.823 -14.088  11.302
  259   3HD2  LEU  30          3HD2      LEU  30  -1.462 -13.131  10.671
  260    H    LEU  31           H        LEU  31  -1.575 -16.206   6.258
  261    HA   LEU  31           HA       LEU  31  -2.831 -18.786   6.874
  262   1HB   LEU  31          1HB       LEU  31  -4.157 -16.951   7.864
  263   2HB   LEU  31          2HB       LEU  31  -4.216 -16.146   6.296
  264    HG   LEU  31           HG       LEU  31  -5.546 -18.029   5.368
  265   1HD1  LEU  31          1HD1      LEU  31  -5.430 -19.145   8.207
  266   2HD1  LEU  31          2HD1      LEU  31  -6.523 -19.717   6.927
  267   3HD1  LEU  31          3HD1      LEU  31  -4.780 -19.915   6.742
  268   1HD2  LEU  31          1HD2      LEU  31  -6.676 -16.891   7.957
  269   2HD2  LEU  31          2HD2      LEU  31  -6.662 -16.073   6.379
  270   3HD2  LEU  31          3HD2      LEU  31  -7.614 -17.549   6.599
  271   1HN   NH2  32          1HN       NH2  32  -1.303 -19.447   5.234
  272   2HN   NH2  32          2HN       NH2  32  -1.802 -19.299   3.564
  Start of MODEL   19
    1   1H    SER   1          1H        SER   1 -20.507  16.387   3.954
    2   2H    SER   1          2H        SER   1 -21.419  16.478   5.329
    3   3H    SER   1          3H        SER   1 -21.326  17.772   4.272
    4    HA   SER   1           HA       SER   1 -19.923  18.059   6.271
    5   1HB   SER   1          1HB       SER   1 -17.793  16.611   6.149
    6   2HB   SER   1          2HB       SER   1 -19.276  15.752   6.585
    7    HG   SER   1           HG       SER   1 -17.743  15.640   4.268
    8    HA   PRO   2           HA       PRO   2 -17.089  20.057   3.114
    9   1HB   PRO   2          1HB       PRO   2 -14.646  19.959   4.395
   10   2HB   PRO   2          2HB       PRO   2 -15.880  21.207   4.752
   11   1HG   PRO   2          1HG       PRO   2 -15.361  18.602   6.229
   12   2HG   PRO   2          2HG       PRO   2 -15.510  20.251   6.921
   13   1HD   PRO   2          1HD       PRO   2 -17.618  18.562   6.908
   14   2HD   PRO   2          2HD       PRO   2 -17.849  20.291   6.552
   15    HA   PRO   3           HA       PRO   3 -15.367  16.196   1.533
   16   1HB   PRO   3          1HB       PRO   3 -13.255  16.950  -0.022
   17   2HB   PRO   3          2HB       PRO   3 -14.936  17.390  -0.444
   18   1HG   PRO   3          1HG       PRO   3 -12.890  19.075   1.041
   19   2HG   PRO   3          2HG       PRO   3 -13.872  19.542  -0.386
   20   1HD   PRO   3          1HD       PRO   3 -14.625  20.178   2.152
   21   2HD   PRO   3          2HD       PRO   3 -15.836  19.733   0.915
   22    H    ASP   4           H        ASP   4 -12.835  15.182   1.265
   23    HA   ASP   4           HA       ASP   4 -11.778  15.146   3.965
   24   1HB   ASP   4          1HB       ASP   4 -10.625  13.198   3.206
   25   2HB   ASP   4          2HB       ASP   4 -12.271  13.044   2.594
   26    H    TYR   5           H        TYR   5  -9.243  14.795   3.568
   27    HA   TYR   5           HA       TYR   5  -8.109  17.138   2.169
   28   1HB   TYR   5          1HB       TYR   5  -6.788  17.405   4.333
   29   2HB   TYR   5          2HB       TYR   5  -8.459  17.912   4.334
   30    HD1  TYR   5           HD1      TYR   5  -6.098  15.274   5.516
   31    HD2  TYR   5           HD2      TYR   5 -10.101  16.867   5.762
   32    HE1  TYR   5           HE1      TYR   5  -6.557  13.818   7.473
   33    HE2  TYR   5           HE2      TYR   5 -10.565  15.430   7.712
   34    HH   TYR   5           HH       TYR   5  -9.675  13.879   9.215
   35    H    SER   6           H        SER   6  -8.040  14.373   1.237
   36    HA   SER   6           HA       SER   6  -5.508  13.186   1.825
   37   1HB   SER   6          1HB       SER   6  -7.341  12.813  -0.570
   38   2HB   SER   6          2HB       SER   6  -5.989  11.757  -0.107
   39    HG   SER   6           HG       SER   6  -8.441  12.245   1.154
   40    H    ALA   7           H        ALA   7  -4.864  15.799   1.415
   41    HA   ALA   7           HA       ALA   7  -3.714  16.328  -1.209
   42   1HB   ALA   7          1HB       ALA   7  -4.406  18.134   0.322
   43   2HB   ALA   7          2HB       ALA   7  -3.215  17.586   1.528
   44   3HB   ALA   7          3HB       ALA   7  -2.673  18.236  -0.033
   45    H    ALA   8           H        ALA   8  -2.866  14.091   1.131
   46    HA   ALA   8           HA       ALA   8  -0.216  14.344   1.698
   47   1HB   ALA   8          1HB       ALA   8  -1.714  12.591   2.612
   48   2HB   ALA   8          2HB       ALA   8  -1.681  11.744   1.046
   49   3HB   ALA   8          3HB       ALA   8  -0.201  11.886   2.011
   50    HA   PRO   9           HA       PRO   9   1.970  14.252  -2.058
   51   1HB   PRO   9          1HB       PRO   9   4.432  13.179  -1.385
   52   2HB   PRO   9          2HB       PRO   9   3.896  14.832  -0.962
   53   1HG   PRO   9          1HG       PRO   9   3.782  12.335   0.752
   54   2HG   PRO   9          2HG       PRO   9   4.370  13.968   1.208
   55   1HD   PRO   9          1HD       PRO   9   1.868  13.148   1.844
   56   2HD   PRO   9          2HD       PRO   9   2.158  14.831   1.307
   57    H    ARG  10           H        ARG  10   2.169  13.005  -3.842
   58    HA   ARG  10           HA       ARG  10   2.842  10.242  -3.842
   59   1HB   ARG  10          1HB       ARG  10   0.737   9.461  -4.946
   60   2HB   ARG  10          2HB       ARG  10   0.574   9.837  -3.239
   61   1HG   ARG  10          1HG       ARG  10  -0.438  12.089  -3.909
   62   2HG   ARG  10          2HG       ARG  10  -0.454  11.501  -5.582
   63   1HD   ARG  10          1HD       ARG  10  -1.830   9.560  -4.879
   64   2HD   ARG  10          2HD       ARG  10  -1.762  10.094  -3.199
   65    HE   ARG  10           HE       ARG  10  -3.518  11.025  -5.285
   66   1HH1  ARG  10          1HH1      ARG  10  -1.888  12.334  -2.312
   67   2HH1  ARG  10          2HH1      ARG  10  -3.349  13.068  -1.791
   68   1HH2  ARG  10          1HH2      ARG  10  -5.408  12.222  -4.452
   69   2HH2  ARG  10          2HH2      ARG  10  -5.202  13.100  -2.972
   70    H    GLY  11           H        GLY  11   3.313   9.605  -6.076
   71   1HA   GLY  11          1HA       GLY  11   4.082   9.993  -8.195
   72   2HA   GLY  11          2HA       GLY  11   2.984  11.375  -8.315
   73    H    ARG  12           H        ARG  12   4.940  11.809  -5.605
   74    HA   ARG  12           HA       ARG  12   7.406  12.746  -6.580
   75   1HB   ARG  12          1HB       ARG  12   5.254  14.729  -5.647
   76   2HB   ARG  12          2HB       ARG  12   6.979  15.013  -5.397
   77   1HG   ARG  12          1HG       ARG  12   7.374  14.884  -7.844
   78   2HG   ARG  12          2HG       ARG  12   5.629  14.681  -8.104
   79   1HD   ARG  12          1HD       ARG  12   5.157  16.877  -7.169
   80   2HD   ARG  12          2HD       ARG  12   6.835  17.064  -6.657
   81    HE   ARG  12           HE       ARG  12   7.416  17.782  -8.693
   82   1HH1  ARG  12          1HH1      ARG  12   4.355  16.062  -9.129
   83   2HH1  ARG  12          2HH1      ARG  12   4.112  16.560 -10.763
   84   1HH2  ARG  12          1HH2      ARG  12   7.141  18.451 -10.881
   85   2HH2  ARG  12          2HH2      ARG  12   5.771  17.954 -11.790
   86    H    PHE  13           H        PHE  13   8.366  11.703  -5.020
   87    HA   PHE  13           HA       PHE  13   8.647  10.347  -3.097
   88   1HB   PHE  13          1HB       PHE  13   8.808  13.253  -2.277
   89   2HB   PHE  13          2HB       PHE  13   9.599  11.916  -1.440
   90    HD1  PHE  13           HD1      PHE  13  11.258  10.448  -2.888
   91    HD2  PHE  13           HD2      PHE  13   9.974  14.432  -3.953
   92    HE1  PHE  13           HE1      PHE  13  13.200  10.675  -4.412
   93    HE2  PHE  13           HE2      PHE  13  11.926  14.646  -5.471
   94    HZ   PHE  13           HZ       PHE  13  13.533  12.767  -5.707
   95    H    GLY  14           H        GLY  14   6.480   9.350  -2.828
   96   1HA   GLY  14          1HA       GLY  14   5.090  10.339  -0.446
   97   2HA   GLY  14          2HA       GLY  14   4.218  10.388  -1.984
   98    H    ILE  15           H        ILE  15   2.934   8.999  -0.351
   99    HA   ILE  15           HA       ILE  15   3.739   6.113  -0.323
  100    HB   ILE  15           HB       ILE  15   2.016   7.836   1.475
  101   1HG1  ILE  15          1HG1      ILE  15   3.838   6.568   3.103
  102   2HG1  ILE  15          2HG1      ILE  15   4.798   6.738   1.641
  103   1HG2  ILE  15          1HG2      ILE  15   0.844   5.760   1.384
  104   2HG2  ILE  15          2HG2      ILE  15   2.324   4.820   1.554
  105   3HG2  ILE  15          3HG2      ILE  15   1.719   5.806   2.904
  106   1HD1  ILE  15          1HD1      ILE  15   5.110   8.624   3.197
  107   2HD1  ILE  15          2HD1      ILE  15   4.388   9.206   1.689
  108   3HD1  ILE  15          3HD1      ILE  15   3.376   8.991   3.136
  109    HA   PRO  16           HA       PRO  16   0.071   5.923  -3.015
  110   1HB   PRO  16          1HB       PRO  16   0.839   3.801  -4.574
  111   2HB   PRO  16          2HB       PRO  16   1.445   5.457  -4.865
  112   1HG   PRO  16          1HG       PRO  16   2.806   3.224  -3.336
  113   2HG   PRO  16          2HG       PRO  16   3.499   4.262  -4.621
  114   1HD   PRO  16          1HD       PRO  16   3.889   4.802  -1.979
  115   2HD   PRO  16          2HD       PRO  16   3.669   6.110  -3.169
  116    H    PHE  17           H        PHE  17  -0.990   3.360  -3.421
  117    HA   PHE  17           HA       PHE  17  -1.726   2.446  -0.823
  118   1HB   PHE  17          1HB       PHE  17  -2.934   0.698  -2.127
  119   2HB   PHE  17          2HB       PHE  17  -3.231   2.322  -2.697
  120    HD1  PHE  17           HD1      PHE  17  -2.804   2.941  -4.973
  121    HD2  PHE  17           HD2      PHE  17  -1.283  -0.812  -3.459
  122    HE1  PHE  17           HE1      PHE  17  -2.112   2.283  -7.259
  123    HE2  PHE  17           HE2      PHE  17  -0.575  -1.438  -5.745
  124    HZ   PHE  17           HZ       PHE  17  -0.990   0.101  -7.645
  125    H    PHE  18           H        PHE  18   1.273   2.176  -1.458
  126    HA   PHE  18           HA       PHE  18   2.025  -0.415  -2.119
  127   1HB   PHE  18          1HB       PHE  18   4.190   0.075  -1.467
  128   2HB   PHE  18          2HB       PHE  18   3.520   1.623  -1.899
  129    HD1  PHE  18           HD1      PHE  18   3.460   3.465  -0.306
  130    HD2  PHE  18           HD2      PHE  18   4.655  -0.506   0.884
  131    HE1  PHE  18           HE1      PHE  18   4.525   4.371   1.755
  132    HE2  PHE  18           HE2      PHE  18   5.617   0.405   2.973
  133    HZ   PHE  18           HZ       PHE  18   5.557   2.851   3.404
  134    HA   PRO  19           HA       PRO  19   2.231  -1.754   2.439
  135   1HB   PRO  19          1HB       PRO  19   0.375  -0.889   4.280
  136   2HB   PRO  19          2HB       PRO  19   1.973  -0.128   4.013
  137   1HG   PRO  19          1HG       PRO  19  -0.695   0.684   2.812
  138   2HG   PRO  19          2HG       PRO  19   0.511   1.728   3.638
  139   1HD   PRO  19          1HD       PRO  19   0.453   1.596   0.983
  140   2HD   PRO  19          2HD       PRO  19   2.018   1.570   1.833
  141    H    VAL  20           H        VAL  20  -0.773  -1.331   0.658
  142    HA   VAL  20           HA       VAL  20  -2.386  -3.397   1.775
  143    HB   VAL  20           HB       VAL  20  -1.978  -2.224  -1.008
  144   1HG1  VAL  20          1HG1      VAL  20  -2.648  -4.452  -1.522
  145   2HG1  VAL  20          2HG1      VAL  20  -3.978  -4.374  -0.354
  146   3HG1  VAL  20          3HG1      VAL  20  -3.973  -3.347  -1.824
  147   1HG2  VAL  20          1HG2      VAL  20  -3.088  -0.783   0.681
  148   2HG2  VAL  20          2HG2      VAL  20  -4.187  -1.215  -0.633
  149   3HG2  VAL  20          3HG2      VAL  20  -4.321  -2.039   0.935
  150    H    HIS  21           H        HIS  21   0.020  -3.500  -0.845
  151    HA   HIS  21           HA       HIS  21  -0.284  -6.253  -1.446
  152   1HB   HIS  21          1HB       HIS  21   1.695  -4.053  -1.899
  153   2HB   HIS  21          2HB       HIS  21   2.142  -5.693  -2.393
  154    HD1  HIS  21           HD1      HIS  21  -1.495  -4.482  -3.009
  155    HD2  HIS  21           HD2      HIS  21   2.259  -4.764  -4.920
  156    HE1  HIS  21           HE1      HIS  21  -1.899  -4.041  -5.477
  157    H    LEU  22           H        LEU  22   1.840  -4.598   0.845
  158    HA   LEU  22           HA       LEU  22   3.325  -7.003   1.560
  159   1HB   LEU  22          1HB       LEU  22   3.131  -4.237   2.817
  160   2HB   LEU  22          2HB       LEU  22   4.140  -5.534   3.415
  161    HG   LEU  22           HG       LEU  22   5.664  -4.294   2.233
  162   1HD1  LEU  22          1HD1      LEU  22   5.722  -6.682   1.450
  163   2HD1  LEU  22          2HD1      LEU  22   4.766  -6.199   0.025
  164   3HD1  LEU  22          3HD1      LEU  22   6.379  -5.525   0.281
  165   1HD2  LEU  22          1HD2      LEU  22   4.041  -2.750   1.181
  166   2HD2  LEU  22          2HD2      LEU  22   5.363  -3.212   0.101
  167   3HD2  LEU  22          3HD2      LEU  22   3.763  -3.934  -0.115
  168    H    LYS  23           H        LYS  23   0.643  -5.114   3.110
  169    HA   LYS  23           HA       LYS  23   0.449  -6.811   5.390
  170   1HB   LYS  23          1HB       LYS  23  -0.707  -4.625   5.191
  171   2HB   LYS  23          2HB       LYS  23  -1.662  -5.236   3.850
  172   1HG   LYS  23          1HG       LYS  23  -3.063  -5.148   5.722
  173   2HG   LYS  23          2HG       LYS  23  -2.801  -6.847   5.393
  174   1HD   LYS  23          1HD       LYS  23  -1.193  -5.348   7.512
  175   2HD   LYS  23          2HD       LYS  23  -2.820  -5.961   7.829
  176   1HE   LYS  23          1HE       LYS  23  -2.048  -8.257   7.132
  177   2HE   LYS  23          2HE       LYS  23  -0.398  -7.639   7.062
  178   1HZ   LYS  23          1HZ       LYS  23  -0.835  -8.667   9.181
  179   2HZ   LYS  23          2HZ       LYS  23  -0.613  -7.059   9.429
  180   3HZ   LYS  23          3HZ       LYS  23  -2.128  -7.701   9.466
  181    H    ARG  24           H        ARG  24  -0.734  -7.081   2.077
  182    HA   ARG  24           HA       ARG  24  -2.229  -9.514   2.457
  183   1HB   ARG  24          1HB       ARG  24  -2.733  -8.061   0.628
  184   2HB   ARG  24          2HB       ARG  24  -1.104  -8.102   0.016
  185   1HG   ARG  24          1HG       ARG  24  -3.038 -10.464   0.021
  186   2HG   ARG  24          2HG       ARG  24  -2.782  -9.358  -1.316
  187   1HD   ARG  24          1HD       ARG  24  -0.982 -11.556  -0.344
  188   2HD   ARG  24          2HD       ARG  24  -1.557 -11.193  -1.965
  189    HE   ARG  24           HE       ARG  24   0.160  -9.109  -0.888
  190   1HH1  ARG  24          1HH1      ARG  24   0.290 -12.253  -2.524
  191   2HH1  ARG  24          2HH1      ARG  24   1.915 -12.069  -3.060
  192   1HH2  ARG  24          1HH2      ARG  24   2.251  -8.852  -1.501
  193   2HH2  ARG  24          2HH2      ARG  24   3.075 -10.005  -2.508
  194    H    LEU  25           H        LEU  25   1.194  -8.844   1.612
  195    HA   LEU  25           HA       LEU  25   1.877 -11.539   1.009
  196   1HB   LEU  25          1HB       LEU  25   3.310  -9.483   0.599
  197   2HB   LEU  25          2HB       LEU  25   3.637  -9.414   2.316
  198    HG   LEU  25           HG       LEU  25   4.722 -11.622   2.272
  199   1HD1  LEU  25          1HD1      LEU  25   5.324 -12.654   0.085
  200   2HD1  LEU  25          2HD1      LEU  25   3.599 -12.737   0.400
  201   3HD1  LEU  25          3HD1      LEU  25   4.237 -11.523  -0.746
  202   1HD2  LEU  25          1HD2      LEU  25   5.799  -9.661   0.194
  203   2HD2  LEU  25          2HD2      LEU  25   6.044  -9.570   1.954
  204   3HD2  LEU  25          3HD2      LEU  25   6.733 -10.913   1.041
  205    H    LEU  26           H        LEU  26   1.960  -9.676   3.994
  206    HA   LEU  26           HA       LEU  26   2.851 -11.717   5.766
  207   1HB   LEU  26          1HB       LEU  26   2.777  -9.380   6.359
  208   2HB   LEU  26          2HB       LEU  26   1.023  -9.326   6.273
  209    HG   LEU  26           HG       LEU  26   2.467 -11.168   8.210
  210   1HD1  LEU  26          1HD1      LEU  26   1.656  -8.250   8.641
  211   2HD1  LEU  26          2HD1      LEU  26   2.243  -9.366   9.911
  212   3HD1  LEU  26          3HD1      LEU  26   3.302  -8.901   8.590
  213   1HD2  LEU  26          1HD2      LEU  26   0.217 -11.786   8.316
  214   2HD2  LEU  26          2HD2      LEU  26   0.297 -10.605   9.589
  215   3HD2  LEU  26          3HD2      LEU  26  -0.384 -10.163   7.984
  216    H    ILE  27           H        ILE  27  -0.518 -10.792   4.969
  217    HA   ILE  27           HA       ILE  27  -1.772 -12.827   6.510
  218    HB   ILE  27           HB       ILE  27  -2.676 -11.317   4.034
  219   1HG1  ILE  27          1HG1      ILE  27  -3.673 -11.132   6.918
  220   2HG1  ILE  27          2HG1      ILE  27  -2.310 -10.188   6.348
  221   1HG2  ILE  27          1HG2      ILE  27  -4.998 -12.121   4.517
  222   2HG2  ILE  27          2HG2      ILE  27  -3.937 -13.436   4.039
  223   3HG2  ILE  27          3HG2      ILE  27  -4.343 -13.221   5.749
  224   1HD1  ILE  27          1HD1      ILE  27  -3.753  -9.153   4.587
  225   2HD1  ILE  27          2HD1      ILE  27  -5.151 -10.006   5.281
  226   3HD1  ILE  27          3HD1      ILE  27  -4.279  -8.810   6.248
  227    H    LEU  28           H        LEU  28  -0.667 -12.926   3.077
  228    HA   LEU  28           HA       LEU  28  -1.388 -15.651   2.600
  229   1HB   LEU  28          1HB       LEU  28  -0.749 -13.859   0.955
  230   2HB   LEU  28          2HB       LEU  28   0.934 -14.154   1.386
  231    HG   LEU  28           HG       LEU  28   0.187 -15.269  -0.634
  232   1HD1  LEU  28          1HD1      LEU  28   1.289 -17.294  -0.376
  233   2HD1  LEU  28          2HD1      LEU  28   1.964 -16.274   0.927
  234   3HD1  LEU  28          3HD1      LEU  28   0.747 -17.518   1.280
  235   1HD2  LEU  28          1HD2      LEU  28  -1.550 -17.128   1.057
  236   2HD2  LEU  28          2HD2      LEU  28  -2.200 -15.800   0.095
  237   3HD2  LEU  28          3HD2      LEU  28  -1.356 -17.159  -0.688
  238    H    LEU  29           H        LEU  29   1.728 -14.338   3.790
  239    HA   LEU  29           HA       LEU  29   2.986 -16.838   4.121
  240   1HB   LEU  29          1HB       LEU  29   4.125 -14.696   4.295
  241   2HB   LEU  29          2HB       LEU  29   3.289 -14.294   5.789
  242    HG   LEU  29           HG       LEU  29   4.908 -16.849   5.719
  243   1HD1  LEU  29          1HD1      LEU  29   6.133 -14.069   5.978
  244   2HD1  LEU  29          2HD1      LEU  29   6.966 -15.613   6.270
  245   3HD1  LEU  29          3HD1      LEU  29   6.397 -15.220   4.645
  246   1HD2  LEU  29          1HD2      LEU  29   4.530 -14.676   7.853
  247   2HD2  LEU  29          2HD2      LEU  29   3.686 -16.236   7.816
  248   3HD2  LEU  29          3HD2      LEU  29   5.425 -16.199   8.056
  249    H    LEU  30           H        LEU  30   0.646 -15.277   6.299
  250    HA   LEU  30           HA       LEU  30   0.845 -17.343   8.330
  251   1HB   LEU  30          1HB       LEU  30   0.023 -15.045   8.766
  252   2HB   LEU  30          2HB       LEU  30  -1.359 -15.352   7.731
  253    HG   LEU  30           HG       LEU  30  -2.181 -17.115   9.257
  254   1HD1  LEU  30          1HD1      LEU  30  -0.104 -17.925  10.269
  255   2HD1  LEU  30          2HD1      LEU  30   0.210 -16.333  10.998
  256   3HD1  LEU  30          3HD1      LEU  30  -1.167 -17.325  11.535
  257   1HD2  LEU  30          1HD2      LEU  30  -2.860 -15.624  11.079
  258   2HD2  LEU  30          2HD2      LEU  30  -1.574 -14.474  10.648
  259   3HD2  LEU  30          3HD2      LEU  30  -2.922 -14.785   9.522
  260    H    LEU  31           H        LEU  31  -1.372 -16.706   5.606
  261    HA   LEU  31           HA       LEU  31  -2.359 -19.468   5.708
  262   1HB   LEU  31          1HB       LEU  31  -3.946 -17.989   6.919
  263   2HB   LEU  31          2HB       LEU  31  -4.046 -16.951   5.494
  264    HG   LEU  31           HG       LEU  31  -5.018 -18.863   4.197
  265   1HD1  LEU  31          1HD1      LEU  31  -4.134 -20.794   5.433
  266   2HD1  LEU  31          2HD1      LEU  31  -5.006 -20.290   6.896
  267   3HD1  LEU  31          3HD1      LEU  31  -5.896 -20.831   5.457
  268   1HD2  LEU  31          1HD2      LEU  31  -6.496 -18.170   6.769
  269   2HD2  LEU  31          2HD2      LEU  31  -6.465 -17.194   5.282
  270   3HD2  LEU  31          3HD2      LEU  31  -7.228 -18.790   5.272
  271   1HN   NH2  32          1HN       NH2  32  -0.770 -19.726   4.050
  272   2HN   NH2  32          2HN       NH2  32  -1.196 -19.283   2.411
  Start of MODEL   20
    1   1H    SER   1          1H        SER   1 -20.316   3.533   2.651
    2   2H    SER   1          2H        SER   1 -18.966   2.970   3.395
    3   3H    SER   1          3H        SER   1 -19.946   4.021   4.208
    4    HA   SER   1           HA       SER   1 -19.353   5.780   2.720
    5   1HB   SER   1          1HB       SER   1 -16.831   5.757   3.205
    6   2HB   SER   1          2HB       SER   1 -17.866   5.456   4.608
    7    HG   SER   1           HG       SER   1 -16.145   3.762   3.241
    8    HA   PRO   2           HA       PRO   2 -17.278   4.272  -1.193
    9   1HB   PRO   2          1HB       PRO   2 -15.275   6.130  -1.531
   10   2HB   PRO   2          2HB       PRO   2 -16.979   6.473  -1.959
   11   1HG   PRO   2          1HG       PRO   2 -15.505   7.175   0.605
   12   2HG   PRO   2          2HG       PRO   2 -16.477   8.263  -0.439
   13   1HD   PRO   2          1HD       PRO   2 -17.545   7.118   1.771
   14   2HD   PRO   2          2HD       PRO   2 -18.508   7.289   0.280
   15    HA   PRO   3           HA       PRO   3 -13.746   2.304   0.866
   16   1HB   PRO   3          1HB       PRO   3 -12.020   1.695  -1.150
   17   2HB   PRO   3          2HB       PRO   3 -13.646   0.952  -1.075
   18   1HG   PRO   3          1HG       PRO   3 -12.796   3.388  -2.684
   19   2HG   PRO   3          2HG       PRO   3 -13.656   1.927  -3.270
   20   1HD   PRO   3          1HD       PRO   3 -14.979   4.200  -2.563
   21   2HD   PRO   3          2HD       PRO   3 -15.672   2.587  -2.233
   22    H    ASP   4           H        ASP   4 -10.901   2.695   0.367
   23    HA   ASP   4           HA       ASP   4 -10.611   5.438   1.235
   24   1HB   ASP   4          1HB       ASP   4  -8.436   4.856   1.823
   25   2HB   ASP   4          2HB       ASP   4  -9.346   3.419   2.279
   26    H    TYR   5           H        TYR   5  -8.868   6.467   0.092
   27    HA   TYR   5           HA       TYR   5  -8.899   6.170  -2.862
   28   1HB   TYR   5          1HB       TYR   5  -9.113   8.733  -2.777
   29   2HB   TYR   5          2HB       TYR   5 -10.534   7.752  -2.504
   30    HD1  TYR   5           HD1      TYR   5 -11.676   7.712  -0.350
   31    HD2  TYR   5           HD2      TYR   5  -8.048   9.989  -0.898
   32    HE1  TYR   5           HE1      TYR   5 -12.109   8.908   1.775
   33    HE2  TYR   5           HE2      TYR   5  -8.477  11.190   1.220
   34    HH   TYR   5           HH       TYR   5  -9.955  11.477   3.014
   35    H    SER   6           H        SER   6  -6.810   5.322  -0.976
   36    HA   SER   6           HA       SER   6  -4.738   7.289  -0.859
   37   1HB   SER   6          1HB       SER   6  -4.434   4.295  -0.584
   38   2HB   SER   6          2HB       SER   6  -3.414   5.567   0.114
   39    HG   SER   6           HG       SER   6  -6.001   4.693   0.757
   40    H    ALA   7           H        ALA   7  -5.624   6.991  -3.607
   41    HA   ALA   7           HA       ALA   7  -3.508   5.634  -5.139
   42   1HB   ALA   7          1HB       ALA   7  -5.748   7.515  -6.015
   43   2HB   ALA   7          2HB       ALA   7  -4.721   6.532  -7.080
   44   3HB   ALA   7          3HB       ALA   7  -5.852   5.737  -5.971
   45    H    ALA   8           H        ALA   8  -2.650   7.548  -3.199
   46    HA   ALA   8           HA       ALA   8  -2.280  10.205  -3.897
   47   1HB   ALA   8          1HB       ALA   8  -0.428   8.397  -2.285
   48   2HB   ALA   8          2HB       ALA   8  -0.621  10.129  -2.058
   49   3HB   ALA   8          3HB       ALA   8  -1.960   9.051  -1.659
   50    HA   PRO   9           HA       PRO   9   1.127  10.458  -6.770
   51   1HB   PRO   9          1HB       PRO   9   2.980  12.150  -5.504
   52   2HB   PRO   9          2HB       PRO   9   1.548  12.673  -6.441
   53   1HG   PRO   9          1HG       PRO   9   1.796  12.316  -3.443
   54   2HG   PRO   9          2HG       PRO   9   1.056  13.677  -4.347
   55   1HD   PRO   9          1HD       PRO   9  -0.507  11.776  -3.313
   56   2HD   PRO   9          2HD       PRO   9  -0.826  12.348  -4.965
   57    H    ARG  10           H        ARG  10   3.451   9.838  -7.065
   58    HA   ARG  10           HA       ARG  10   4.666   8.249  -4.971
   59   1HB   ARG  10          1HB       ARG  10   4.457   6.112  -6.175
   60   2HB   ARG  10          2HB       ARG  10   2.891   6.746  -5.713
   61   1HG   ARG  10          1HG       ARG  10   3.200   7.740  -8.336
   62   2HG   ARG  10          2HG       ARG  10   4.006   6.180  -8.389
   63   1HD   ARG  10          1HD       ARG  10   1.817   5.639  -8.973
   64   2HD   ARG  10          2HD       ARG  10   1.847   5.243  -7.264
   65    HE   ARG  10           HE       ARG  10   0.534   7.184  -6.760
   66   1HH1  ARG  10          1HH1      ARG  10   1.086   6.962 -10.262
   67   2HH1  ARG  10          2HH1      ARG  10  -0.305   7.901 -10.671
   68   1HH2  ARG  10          1HH2      ARG  10  -1.362   8.310  -7.297
   69   2HH2  ARG  10          2HH2      ARG  10  -1.726   8.717  -8.917
   70    H    GLY  11           H        GLY  11   6.804   7.598  -5.642
   71   1HA   GLY  11          1HA       GLY  11   8.808   7.872  -6.688
   72   2HA   GLY  11          2HA       GLY  11   7.950   8.149  -8.211
   73    H    ARG  12           H        ARG  12   6.815  10.402  -6.045
   74    HA   ARG  12           HA       ARG  12   8.895  12.351  -5.931
   75   1HB   ARG  12          1HB       ARG  12   6.446  12.847  -7.715
   76   2HB   ARG  12          2HB       ARG  12   7.410  14.129  -6.970
   77   1HG   ARG  12          1HG       ARG  12   9.455  13.136  -8.134
   78   2HG   ARG  12          2HG       ARG  12   8.329  12.120  -9.059
   79   1HD   ARG  12          1HD       ARG  12   7.213  14.137  -9.938
   80   2HD   ARG  12          2HD       ARG  12   8.299  15.163  -8.974
   81    HE   ARG  12           HE       ARG  12   9.794  13.360 -10.602
   82   1HH1  ARG  12          1HH1      ARG  12   7.927  16.358 -10.860
   83   2HH1  ARG  12          2HH1      ARG  12   8.782  16.977 -12.221
   84   1HH2  ARG  12          1HH2      ARG  12  10.970  14.163 -12.436
   85   2HH2  ARG  12          2HH2      ARG  12  10.567  15.673 -13.145
   86    H    PHE  13           H        PHE  13   8.588  12.432  -3.861
   87    HA   PHE  13           HA       PHE  13   7.610  12.164  -1.769
   88   1HB   PHE  13          1HB       PHE  13   6.784  14.851  -2.870
   89   2HB   PHE  13          2HB       PHE  13   6.907  14.445  -1.157
   90    HD1  PHE  13           HD1      PHE  13   8.667  15.800  -3.952
   91    HD2  PHE  13           HD2      PHE  13   9.248  13.494  -0.345
   92    HE1  PHE  13           HE1      PHE  13  11.091  16.337  -3.985
   93    HE2  PHE  13           HE2      PHE  13  11.665  14.033  -0.398
   94    HZ   PHE  13           HZ       PHE  13  12.590  15.451  -2.214
   95    H    GLY  14           H        GLY  14   6.058  10.367  -2.175
   96   1HA   GLY  14          1HA       GLY  14   3.606  11.067  -0.993
   97   2HA   GLY  14          2HA       GLY  14   3.349  10.721  -2.711
   98    H    ILE  15           H        ILE  15   2.286   9.140  -0.664
   99    HA   ILE  15           HA       ILE  15   3.645   6.499  -0.810
  100    HB   ILE  15           HB       ILE  15   2.832   8.148   1.588
  101   1HG1  ILE  15          1HG1      ILE  15   5.177   6.263   1.072
  102   2HG1  ILE  15          2HG1      ILE  15   5.204   7.998   0.781
  103   1HG2  ILE  15          1HG2      ILE  15   1.464   6.274   2.019
  104   2HG2  ILE  15          2HG2      ILE  15   2.656   5.130   1.422
  105   3HG2  ILE  15          3HG2      ILE  15   2.909   5.985   2.962
  106   1HD1  ILE  15          1HD1      ILE  15   4.728   8.400   3.209
  107   2HD1  ILE  15          2HD1      ILE  15   4.952   6.654   3.488
  108   3HD1  ILE  15          3HD1      ILE  15   6.287   7.629   2.860
  109    HA   PRO  16           HA       PRO  16  -0.739   6.185  -1.988
  110   1HB   PRO  16          1HB       PRO  16  -0.534   4.251  -3.892
  111   2HB   PRO  16          2HB       PRO  16   0.008   5.921  -4.217
  112   1HG   PRO  16          1HG       PRO  16   1.708   3.562  -3.332
  113   2HG   PRO  16          2HG       PRO  16   1.996   4.664  -4.715
  114   1HD   PRO  16          1HD       PRO  16   3.163   5.018  -2.256
  115   2HD   PRO  16          2HD       PRO  16   2.711   6.406  -3.292
  116    H    PHE  17           H        PHE  17  -1.887   3.795  -2.232
  117    HA   PHE  17           HA       PHE  17  -1.918   2.422   0.194
  118   1HB   PHE  17          1HB       PHE  17  -3.280   0.758  -1.134
  119   2HB   PHE  17          2HB       PHE  17  -3.784   2.409  -1.306
  120    HD1  PHE  17           HD1      PHE  17  -4.055   3.374  -3.443
  121    HD2  PHE  17           HD2      PHE  17  -1.749  -0.258  -3.057
  122    HE1  PHE  17           HE1      PHE  17  -3.863   3.222  -5.906
  123    HE2  PHE  17           HE2      PHE  17  -1.544  -0.388  -5.503
  124    HZ   PHE  17           HZ       PHE  17  -2.594   1.349  -6.947
  125    H    PHE  18           H        PHE  18   0.908   2.369  -1.032
  126    HA   PHE  18           HA       PHE  18   1.551  -0.082  -2.182
  127   1HB   PHE  18          1HB       PHE  18   3.802   0.394  -1.873
  128   2HB   PHE  18          2HB       PHE  18   3.048   1.965  -1.937
  129    HD1  PHE  18           HD1      PHE  18   3.273   3.537  -0.090
  130    HD2  PHE  18           HD2      PHE  18   4.629  -0.540   0.275
  131    HE1  PHE  18           HE1      PHE  18   4.561   4.115   1.981
  132    HE2  PHE  18           HE2      PHE  18   5.853   0.043   2.344
  133    HZ   PHE  18           HZ       PHE  18   5.815   2.377   3.195
  134    HA   PRO  19           HA       PRO  19   2.478  -2.005   2.111
  135   1HB   PRO  19          1HB       PRO  19   0.844  -1.449   4.262
  136   2HB   PRO  19          2HB       PRO  19   2.399  -0.633   3.915
  137   1HG   PRO  19          1HG       PRO  19  -0.391   0.290   3.154
  138   2HG   PRO  19          2HG       PRO  19   0.903   1.230   3.973
  139   1HD   PRO  19          1HD       PRO  19   0.555   1.487   1.369
  140   2HD   PRO  19          2HD       PRO  19   2.207   1.315   2.004
  141    H    VAL  20           H        VAL  20  -0.657  -1.540   0.648
  142    HA   VAL  20           HA       VAL  20  -2.177  -3.669   1.684
  143    HB   VAL  20           HB       VAL  20  -1.836  -2.344  -1.045
  144   1HG1  VAL  20          1HG1      VAL  20  -2.450  -4.496  -1.778
  145   2HG1  VAL  20          2HG1      VAL  20  -3.674  -4.678  -0.500
  146   3HG1  VAL  20          3HG1      VAL  20  -3.879  -3.502  -1.846
  147   1HG2  VAL  20          1HG2      VAL  20  -4.089  -1.470  -0.562
  148   2HG2  VAL  20          2HG2      VAL  20  -4.183  -2.445   0.916
  149   3HG2  VAL  20          3HG2      VAL  20  -3.015  -1.112   0.793
  150    H    HIS  21           H        HIS  21  -0.007  -3.774  -1.097
  151    HA   HIS  21           HA       HIS  21  -0.278  -6.485  -1.698
  152   1HB   HIS  21          1HB       HIS  21   1.898  -4.444  -2.008
  153   2HB   HIS  21          2HB       HIS  21   1.936  -5.967  -2.910
  154    HD1  HIS  21           HD1      HIS  21  -0.659  -6.001  -4.545
  155    HD2  HIS  21           HD2      HIS  21   1.068  -2.427  -3.110
  156    HE1  HIS  21           HE1      HIS  21  -1.734  -4.100  -5.846
  157    H    LEU  22           H        LEU  22   2.073  -4.857   0.341
  158    HA   LEU  22           HA       LEU  22   3.619  -7.172   1.070
  159   1HB   LEU  22          1HB       LEU  22   3.331  -4.426   2.372
  160   2HB   LEU  22          2HB       LEU  22   4.472  -5.650   2.866
  161    HG   LEU  22           HG       LEU  22   5.835  -4.342   1.607
  162   1HD1  LEU  22          1HD1      LEU  22   5.910  -6.662   0.667
  163   2HD1  LEU  22          2HD1      LEU  22   4.792  -6.147  -0.621
  164   3HD1  LEU  22          3HD1      LEU  22   6.394  -5.410  -0.491
  165   1HD2  LEU  22          1HD2      LEU  22   4.111  -2.781   0.807
  166   2HD2  LEU  22          2HD2      LEU  22   5.302  -3.164  -0.438
  167   3HD2  LEU  22          3HD2      LEU  22   3.695  -3.898  -0.510
  168    H    LYS  23           H        LYS  23   0.964  -5.396   2.834
  169    HA   LYS  23           HA       LYS  23   1.027  -7.226   5.048
  170   1HB   LYS  23          1HB       LYS  23  -0.070  -4.990   5.102
  171   2HB   LYS  23          2HB       LYS  23  -1.306  -5.571   3.973
  172   1HG   LYS  23          1HG       LYS  23  -2.069  -7.234   5.611
  173   2HG   LYS  23          2HG       LYS  23  -0.751  -6.803   6.715
  174   1HD   LYS  23          1HD       LYS  23  -1.713  -4.551   7.019
  175   2HD   LYS  23          2HD       LYS  23  -2.945  -4.895   5.803
  176   1HE   LYS  23          1HE       LYS  23  -3.957  -5.112   7.979
  177   2HE   LYS  23          2HE       LYS  23  -3.886  -6.698   7.210
  178   1HZ   LYS  23          1HZ       LYS  23  -3.244  -6.800   9.521
  179   2HZ   LYS  23          2HZ       LYS  23  -1.958  -7.205   8.587
  180   3HZ   LYS  23          3HZ       LYS  23  -2.031  -5.720   9.301
  181    H    ARG  24           H        ARG  24  -0.464  -7.335   1.841
  182    HA   ARG  24           HA       ARG  24  -2.004  -9.713   2.355
  183   1HB   ARG  24          1HB       ARG  24  -2.629  -8.236   0.577
  184   2HB   ARG  24          2HB       ARG  24  -1.072  -8.371  -0.201
  185   1HG   ARG  24          1HG       ARG  24  -2.379 -11.018   0.073
  186   2HG   ARG  24          2HG       ARG  24  -3.403  -9.847  -0.734
  187   1HD   ARG  24          1HD       ARG  24  -2.087 -11.048  -2.387
  188   2HD   ARG  24          2HD       ARG  24  -1.684  -9.340  -2.380
  189    HE   ARG  24           HE       ARG  24   0.423  -9.762  -1.469
  190   1HH1  ARG  24          1HH1      ARG  24  -1.345 -12.829  -1.667
  191   2HH1  ARG  24          2HH1      ARG  24   0.049 -13.819  -1.862
  192   1HH2  ARG  24          1HH2      ARG  24   2.311 -11.057  -1.782
  193   2HH2  ARG  24          2HH2      ARG  24   2.198 -12.773  -1.889
  194    H    LEU  25           H        LEU  25   1.375  -9.154   1.406
  195    HA   LEU  25           HA       LEU  25   1.965 -11.907   0.788
  196   1HB   LEU  25          1HB       LEU  25   3.343  -9.794   0.273
  197   2HB   LEU  25          2HB       LEU  25   3.920  -9.861   1.929
  198    HG   LEU  25           HG       LEU  25   4.197 -12.210   0.013
  199   1HD1  LEU  25          1HD1      LEU  25   6.483 -11.406  -0.448
  200   2HD1  LEU  25          2HD1      LEU  25   5.281 -10.227  -0.983
  201   3HD1  LEU  25          3HD1      LEU  25   6.181  -9.953   0.524
  202   1HD2  LEU  25          1HD2      LEU  25   6.160 -12.770   1.496
  203   2HD2  LEU  25          2HD2      LEU  25   5.668 -11.464   2.592
  204   3HD2  LEU  25          3HD2      LEU  25   4.623 -12.879   2.333
  205    H    LEU  26           H        LEU  26   2.250  -9.923   3.744
  206    HA   LEU  26           HA       LEU  26   3.102 -12.006   5.471
  207   1HB   LEU  26          1HB       LEU  26   3.233  -9.658   6.030
  208   2HB   LEU  26          2HB       LEU  26   1.483  -9.494   6.090
  209    HG   LEU  26           HG       LEU  26   2.781 -11.558   7.883
  210   1HD1  LEU  26          1HD1      LEU  26   3.217  -9.845   9.606
  211   2HD1  LEU  26          2HD1      LEU  26   4.209  -9.582   8.172
  212   3HD1  LEU  26          3HD1      LEU  26   2.783  -8.558   8.454
  213   1HD2  LEU  26          1HD2      LEU  26   0.310 -11.360   7.960
  214   2HD2  LEU  26          2HD2      LEU  26   1.010 -10.803   9.468
  215   3HD2  LEU  26          3HD2      LEU  26   0.444  -9.614   8.272
  216    H    ILE  27           H        ILE  27  -0.257 -10.929   4.759
  217    HA   ILE  27           HA       ILE  27  -1.528 -12.825   6.453
  218    HB   ILE  27           HB       ILE  27  -2.445 -11.328   3.977
  219   1HG1  ILE  27          1HG1      ILE  27  -3.318 -11.079   6.897
  220   2HG1  ILE  27          2HG1      ILE  27  -1.966 -10.171   6.246
  221   1HG2  ILE  27          1HG2      ILE  27  -3.803 -13.387   4.036
  222   2HG2  ILE  27          2HG2      ILE  27  -4.163 -13.127   5.750
  223   3HG2  ILE  27          3HG2      ILE  27  -4.787 -12.016   4.511
  224   1HD1  ILE  27          1HD1      ILE  27  -4.855  -9.941   5.320
  225   2HD1  ILE  27          2HD1      ILE  27  -3.916  -8.759   6.235
  226   3HD1  ILE  27          3HD1      ILE  27  -3.473  -9.122   4.554
  227    H    LEU  28           H        LEU  28  -0.502 -13.141   2.995
  228    HA   LEU  28           HA       LEU  28  -1.462 -15.840   2.713
  229   1HB   LEU  28          1HB       LEU  28  -0.824 -14.189   0.923
  230   2HB   LEU  28          2HB       LEU  28   0.863 -14.562   1.273
  231    HG   LEU  28           HG       LEU  28  -0.083 -15.743  -0.619
  232   1HD1  LEU  28          1HD1      LEU  28   0.906 -17.823  -0.311
  233   2HD1  LEU  28          2HD1      LEU  28   1.735 -16.770   0.874
  234   3HD1  LEU  28          3HD1      LEU  28   0.476 -17.908   1.389
  235   1HD2  LEU  28          1HD2      LEU  28  -1.802 -17.404   1.280
  236   2HD2  LEU  28          2HD2      LEU  28  -2.445 -16.081   0.309
  237   3HD2  LEU  28          3HD2      LEU  28  -1.744 -17.524  -0.470
  238    H    LEU  29           H        LEU  29   1.765 -14.618   3.641
  239    HA   LEU  29           HA       LEU  29   2.930 -17.150   4.067
  240   1HB   LEU  29          1HB       LEU  29   4.190 -15.017   4.100
  241   2HB   LEU  29          2HB       LEU  29   3.388 -14.556   5.603
  242    HG   LEU  29           HG       LEU  29   4.480 -16.442   6.794
  243   1HD1  LEU  29          1HD1      LEU  29   4.817 -18.047   4.962
  244   2HD1  LEU  29          2HD1      LEU  29   5.908 -16.913   4.127
  245   3HD1  LEU  29          3HD1      LEU  29   6.369 -17.640   5.684
  246   1HD2  LEU  29          1HD2      LEU  29   6.739 -15.486   6.791
  247   2HD2  LEU  29          2HD2      LEU  29   6.403 -14.640   5.264
  248   3HD2  LEU  29          3HD2      LEU  29   5.514 -14.211   6.747
  249    H    LEU  30           H        LEU  30   0.822 -15.313   6.274
  250    HA   LEU  30           HA       LEU  30   0.979 -17.227   8.431
  251   1HB   LEU  30          1HB       LEU  30   0.302 -14.862   8.701
  252   2HB   LEU  30          2HB       LEU  30  -1.125 -15.164   7.728
  253    HG   LEU  30           HG       LEU  30  -2.002 -16.746   9.427
  254   1HD1  LEU  30          1HD1      LEU  30  -0.943 -16.792  11.691
  255   2HD1  LEU  30          2HD1      LEU  30   0.070 -17.551  10.466
  256   3HD1  LEU  30          3HD1      LEU  30   0.461 -15.913  11.039
  257   1HD2  LEU  30          1HD2      LEU  30  -2.559 -15.045  11.106
  258   2HD2  LEU  30          2HD2      LEU  30  -1.230 -14.013  10.529
  259   3HD2  LEU  30          3HD2      LEU  30  -2.621 -14.366   9.472
  260    H    LEU  31           H        LEU  31  -1.326 -16.695   5.756
  261    HA   LEU  31           HA       LEU  31  -2.460 -19.376   6.129
  262   1HB   LEU  31          1HB       LEU  31  -3.890 -17.700   7.281
  263   2HB   LEU  31          2HB       LEU  31  -4.002 -16.782   5.777
  264    HG   LEU  31           HG       LEU  31  -5.162 -18.721   4.700
  265   1HD1  LEU  31          1HD1      LEU  31  -5.074 -19.931   7.502
  266   2HD1  LEU  31          2HD1      LEU  31  -6.080 -20.525   6.163
  267   3HD1  LEU  31          3HD1      LEU  31  -4.323 -20.603   6.039
  268   1HD2  LEU  31          1HD2      LEU  31  -6.441 -17.739   7.285
  269   2HD2  LEU  31          2HD2      LEU  31  -6.438 -16.882   5.726
  270   3HD2  LEU  31          3HD2      LEU  31  -7.297 -18.421   5.883
  271   1HN   NH2  32          1HN       NH2  32  -0.950 -19.841   4.438
  272   2HN   NH2  32          2HN       NH2  32  -1.431 -19.518   2.786