*HEADER    PROTEIN BINDING INHIBITOR               20-APR-07   2JP5              
*TITLE     ATWLPPR AN ANTI-ANGIOGENIC PEPTIDE                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ATWLPPR PEPTIDE;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PEPTIDE, PROTEIN BINDING INHIBITOR                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.BADACHE, N.C.BOUCHEMAL, C.L.M.HERVE DU PENHOAT                      
*REVDAT   1   04-MAR-08 2JP5    0                                                


2 THR  HA  HB  6.0 1.0
3 TRP  HN  HA  6.6 1.0
4 LEU  HN  HA  8.4 1.0
4 LEU  HA  HB2 8.1 1.0
4 LEU  HA  HB3 5.9 1.0
7 ARG  HN  HA  7.5 1.0
7 ARG  HA  HB2 8.2 2.0
7 ARG  HA  HB3 5.0 2.0  

  3 TRP  HN      4 LEU  HA     3.50
  3 TRP  HN      4 LEU  QB     3.50
  3 TRP  HN      4 LEU  QD2    3.50
  3 TRP  HA      4 LEU  HA     3.50
  3 TRP  HA      4 LEU  HG     3.50
  3 TRP  HE1     5 PRO  HA     3.50 
  1 ALA  HA      1 ALA  QB      2.06
  1 ALA  HA      1 ALA  QB      2.06
  2 THR  HA      2 THR  QG2     2.50
  2 THR  HA      2 THR  QG2     2.60
  2 THR  HB      2 THR  QG2     2.08
  2 THR  HB      2 THR  QG2     2.18
  2 THR  HB      3 TRP  HN      2.61
  2 THR  QG2     3 TRP  HN      2.89
  3 TRP  HN      3 TRP  QB      2.28
  3 TRP  HN      3 TRP  QB      2.28
  3 TRP  HN      4 LEU  HN      2.22
  3 TRP  HN      4 LEU  HN      2.22
  3 TRP  HN      4 LEU  HG      3.30
  3 TRP  HA      3 TRP  QB      2.17
  3 TRP  HA      3 TRP  QB      2.28
  3 TRP  HA      3 TRP  HD1     2.24
  3 TRP  HA      3 TRP  HE3     2.33
  3 TRP  QB      3 TRP  HD1     2.43
  3 TRP  QB      3 TRP  HD1     2.36
  3 TRP  QB      3 TRP  HE3     2.36
  3 TRP  QB      3 TRP  HE3     2.30
  3 TRP  QB      4 LEU  HN      2.69
  3 TRP  QB      4 LEU  HN      2.73
  3 TRP  QB      4 LEU  QB      3.50
  3 TRP  QB      4 LEU  HG      3.50
  3 TRP  HZ3     5 PRO  HA      2.80
  3 TRP  HZ2     5 PRO  HA      2.37
  3 TRP  HZ2     6 PRO  HD2     3.30
  3 TRP  HH2     5 PRO  HA      2.61
  3 TRP  HH2     5 PRO  HB3     2.96
  3 TRP  HH2     6 PRO  HD2     3.30
  4 LEU  HN      4 LEU  HA      2.65
  4 LEU  HN      4 LEU  QB      2.43
  4 LEU  HN      4 LEU  QB      2.43
  4 LEU  HN      4 LEU  HG      2.02
  4 LEU  HN      4 LEU  HG      2.02
  4 LEU  HA      4 LEU  QB      2.38
  4 LEU  HA      4 LEU  QD1     2.21
  4 LEU  QB      5 PRO  HD2     3.29
  4 LEU  QB      5 PRO  HD3     3.50
  4 LEU  QD1     5 PRO  HD2     3.34
  5 PRO  HA      5 PRO  QG      3.50
  5 PRO  HA      5 PRO  QG      2.95
  5 PRO  HB2     5 PRO  HD2     2.65
  5 PRO  HB2     5 PRO  HD3     2.37
  5 PRO  HB3     5 PRO  QG      2.99
  5 PRO  HB3     5 PRO  QG      2.36
  5 PRO  HB3     6 PRO  HD2     2.42
  5 PRO  HB3     6 PRO  HD3     2.67
  5 PRO  QG      5 PRO  HD2     2.41
  5 PRO  QG      5 PRO  HD2     2.34
  5 PRO  QG      5 PRO  HD3     2.23
  5 PRO  QG      5 PRO  HD3     2.32
  6 PRO  HA      6 PRO  QG      3.50
  6 PRO  HA      6 PRO  QG      2.95
  6 PRO  HB2     6 PRO  HB3     2.28
  6 PRO  HB2     6 PRO  QG      2.32
  6 PRO  HB2     6 PRO  QG      2.26
  6 PRO  HB2     6 PRO  HD2     2.03
  6 PRO  HB2     6 PRO  HD2     2.37
  6 PRO  HB2     6 PRO  HD3     2.07
  6 PRO  HB2     6 PRO  HD3     2.91
  6 PRO  HB2     7 ARG  HN      2.26
  6 PRO  HB3     6 PRO  QG      2.23
  6 PRO  HB3     6 PRO  QG      2.45
  6 PRO  HB3     6 PRO  HD2     2.96
  6 PRO  HB3     6 PRO  HD3     2.74
  6 PRO  QG      6 PRO  HD2     2.58
  6 PRO  QG      6 PRO  HD2     2.34
  6 PRO  QG      6 PRO  HD3     2.23
  6 PRO  QG      6 PRO  HD3     2.39
  7 ARG  HN      7 ARG  HB2     2.09
  7 ARG  HN      7 ARG  QG      3.50
  7 ARG  HB2     7 ARG  QG      2.09
  7 ARG  HB2     7 ARG  QG      2.24
  7 ARG  HB3     7 ARG  QG      2.47
  7 ARG  HB3     7 ARG  QG      2.34
  7 ARG  QG      7 ARG  HE      3.47
  1 ALA  HA      2 THR  QG2     2.06
  2 THR  HA      2 THR  QG2     2.06
  2 THR  HB      2 THR  QG2     2.08
  7 ARG  HN      7 ARG  QG      2.69
  7 ARG  HN      7 ARG  QG      2.90
  7 ARG  HA      7 ARG  HB3     2.35
  7 ARG  HA      7 ARG  QG      2.60
  7 ARG  HB2     7 ARG  QD      2.60
  7 ARG  HB2     7 ARG  QD      2.69
  7 ARG  HB3     7 ARG  QD      2.56
  7 ARG  HB3     7 ARG  QD      2.54

  1 ALA  HA      2 THR  QG2     3.55                
  2 THR  HA      2 THR  HB      2.56                
  2 THR  HA      2 THR  QG2     3.43                
  2 THR  HA      3 TRP  HN      2.51                
  2 THR  HB      3 TRP  HN      4.23                
  2 THR  QG2     3 TRP  HN      4.81                
  3 TRP  HN      3 TRP  QB      3.71                
  3 TRP  HN      4 LEU  HN      3.70                
  3 TRP  HN      4 LEU  HG      5.50                
  3 TRP  HA      4 LEU  HN      2.40                
  3 TRP  QB      4 LEU  HN      4.47                
  3 TRP  QB      4 LEU  QB      7.25                
  3 TRP  QB      4 LEU  HG      6.38                
  3 TRP  HZ3     5 PRO  HA      4.51                
  3 TRP  HZ2     5 PRO  HA      3.86                
  3 TRP  HZ2     6 PRO  HD2     5.50                
  3 TRP  HH2     5 PRO  HA      4.23                
  3 TRP  HH2     5 PRO  HB3     4.82                
  3 TRP  HH2     6 PRO  HD2     5.50                
  4 LEU  HN      4 LEU  HG      3.73                
  4 LEU  HA      4 LEU  QD2     3.43                
  4 LEU  HA      5 PRO  HD2     2.46                
  4 LEU  HA      5 PRO  HD3     2.40                
  4 LEU  QB      5 PRO  HD2     5.32                
  4 LEU  QB      5 PRO  HD3     6.10                
  4 LEU  QD2     5 PRO  HD2     5.44                
  5 PRO  HA      6 PRO  HD2     2.40                
  5 PRO  HA      6 PRO  HD3     2.40                
  5 PRO  HB3     6 PRO  HD2     3.92                
  5 PRO  HB3     6 PRO  HD3     4.32                
  6 PRO  HA      7 ARG  HN      2.40                
  6 PRO  QB      7 ARG  HN      4.17                
  7 ARG  HN      7 ARG  QB      3.73                
  7 ARG  HN      7 ARG  QG      4.49                

   2 THR   PHI    -315.0   -35.0
   2 THR   PHI    -165.0    65.0
   2 THR   CHI1     65.0    85.0
   2 THR   CHI21  -305.0   -25.0
   2 THR   CHI21  -105.0   225.0
   2 THR   PSI     145.0   185.0
   3 TRP   PHI      35.0   295.0
   3 TRP   PHI    -175.0    95.0
   3 TRP   PHI     -85.0   205.0
   3 TRP   CHI2   -155.0   155.0
   3 TRP   PSI      55.0    85.0 
   4 LEU   PHI      55.0   275.0
   4 LEU   PHI    -155.0    65.0
   4 LEU   PHI    -105.0   225.0
   4 LEU   CHI1    -15.0    -5.0
   4 LEU   CHI2    155.0   195.0
   4 LEU   PSI      65.0   155.0
   5 PRO   PSI     115.0   155.0
   6 PRO   PSI     115.0   185.0
   7 ARG   PHI      35.0   285.0
   7 ARG   PHI    -165.0    75.0
   7 ARG   PHI     -95.0   215.0
   7 ARG   CHI1   -135.0    15.0
   7 ARG   CHI1     -5.0   265.0
   7 ARG   CHI2     25.0   335.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   ALA   1           HA       ALA   1 -10.001   2.037  -1.183
    2    H1   ALA   1           1H       ALA   1  -9.229   4.403  -1.069
    3    HB1  ALA   1           3HB      ALA   1  -8.217   1.457  -2.528
    4    HB2  ALA   1           1HB      ALA   1  -7.914   3.205  -2.374
    5    HB3  ALA   1           2HB      ALA   1  -7.006   2.051  -1.366
    6    H    THR   2           H        THR   2  -7.811   0.076  -0.728
    7    HA   THR   2           HA       THR   2  -7.470   0.003   2.139
    8    HB   THR   2           HB       THR   2  -8.901  -1.845   2.559
    9    HG1  THR   2           HG1      THR   2  -8.777  -2.043  -0.366
   10   HG21  THR   2          3HG2      THR   2 -10.272  -0.355   0.256
   11   HG22  THR   2          1HG2      THR   2 -11.088  -1.435   1.411
   12   HG23  THR   2          2HG2      THR   2 -10.372   0.092   1.977
   13    H    TRP   3           H        TRP   3  -6.298  -2.117   2.765
   14    HA   TRP   3           HA       TRP   3  -4.353  -3.180   2.577
   15    HD1  TRP   3           HD1      TRP   3  -5.099  -4.847  -1.978
   16    HE1  TRP   3           HE1      TRP   3  -2.794  -5.560  -3.047
   17    HE3  TRP   3           HE3      TRP   3  -2.374  -4.368   2.288
   18    HZ2  TRP   3           HZ2      TRP   3  -0.150  -5.838  -2.012
   19    HZ3  TRP   3           HZ3      TRP   3   0.063  -4.880   2.173
   20    HH2  TRP   3           HH2      TRP   3   1.178  -5.593   0.118
   21    HB2  TRP   3           1HB      TRP   3  -5.261  -4.968   1.578
   22    HB3  TRP   3           2HB      TRP   3  -6.027  -4.026   0.314
   23    H    LEU   4           H        LEU   4  -3.037  -1.238   2.645
   24    HA   LEU   4           HA       LEU   4  -2.274  -0.119   0.076
   25    HG   LEU   4           HG       LEU   4  -2.980   0.492   3.658
   26    HB2  LEU   4           1HB      LEU   4  -0.942   0.895   2.469
   27    HB3  LEU   4           2HB      LEU   4  -1.777   1.746   1.185
   28   HD11  LEU   4          1HD1      LEU   4  -2.252   3.211   2.818
   29   HD12  LEU   4          2HD1      LEU   4  -3.900   3.065   3.476
   30   HD13  LEU   4          3HD1      LEU   4  -2.505   2.533   4.444
   31   HD21  LEU   4          3HD2      LEU   4  -4.836   0.078   2.507
   32   HD22  LEU   4          1HD2      LEU   4  -5.024   1.839   2.330
   33   HD23  LEU   4          2HD2      LEU   4  -4.209   0.899   1.057
   34    HA   PRO   5           HA       PRO   5   1.133  -2.872   0.108
   35    HB2  PRO   5           1HB      PRO   5   1.923  -2.435  -2.472
   36    HB3  PRO   5           2HB      PRO   5   0.703  -3.613  -2.029
   37    HG2  PRO   5           1HG      PRO   5   0.349  -0.959  -3.284
   38    HG3  PRO   5           2HG      PRO   5  -0.774  -2.303  -3.223
   39    HD2  PRO   5           1HD      PRO   5  -0.871   0.086  -1.638
   40    HD3  PRO   5           2HD      PRO   5  -1.923  -1.308  -1.498
   41    HA   PRO   6           HA       PRO   6   4.283  -0.173   1.057
   42    HB2  PRO   6           1HB      PRO   6   6.291  -1.955   1.566
   43    HB3  PRO   6           2HB      PRO   6   5.068  -1.525   2.746
   44    HG2  PRO   6           1HG      PRO   6   5.320  -4.005   1.156
   45    HG3  PRO   6           2HG      PRO   6   4.387  -3.725   2.613
   46    HD2  PRO   6           1HD      PRO   6   3.379  -3.878  -0.068
   47    HD3  PRO   6           2HD      PRO   6   2.465  -3.483   1.375
   48    H    ARG   7           H        ARG   7   5.615   1.139  -0.052
   49    HA   ARG   7           HA       ARG   7   6.848   1.823  -1.687
   50    HE   ARG   7           HE       ARG   7  10.731  -0.878  -3.385
   51    HB2  ARG   7           1HB      ARG   7   7.825  -0.906  -1.210
   52    HB3  ARG   7           2HB      ARG   7   8.058  -0.452  -2.885
   53    HG2  ARG   7           1HG      ARG   7   8.775   1.761  -1.099
   54    HG3  ARG   7           2HG      ARG   7   9.661   0.310  -0.677
   55    HD2  ARG   7           1HD      ARG   7   9.466   1.120  -3.591
   56    HD3  ARG   7           2HD      ARG   7  10.600   1.954  -2.547
   57   HH11  ARG   7          2HH2      ARG   7  12.004   1.631  -1.231
   58   HH12  ARG   7          1HH2      ARG   7  13.474   0.776  -0.900
   59   HH21  ARG   7          2HH1      ARG   7  13.843  -1.361  -1.920
  Start of MODEL    2
    1    HA   ALA   1           HA       ALA   1  -9.141   2.494  -1.919
    2    H1   ALA   1           1H       ALA   1  -7.614   4.423  -0.308
    3    HB1  ALA   1           3HB      ALA   1  -7.083   3.396  -3.057
    4    HB2  ALA   1           1HB      ALA   1  -6.113   2.724  -1.724
    5    HB3  ALA   1           2HB      ALA   1  -7.046   1.638  -2.782
    6    H    THR   2           H        THR   2  -7.149   0.387  -1.275
    7    HA   THR   2           HA       THR   2  -7.175   0.200   1.608
    8    HB   THR   2           HB       THR   2  -8.756  -1.563   1.775
    9    HG1  THR   2           HG1      THR   2  -7.853  -2.812   0.007
   10   HG21  THR   2          3HG2      THR   2 -10.022   0.481   1.093
   11   HG22  THR   2          1HG2      THR   2  -9.735   0.084  -0.618
   12   HG23  THR   2          2HG2      THR   2 -10.754  -0.978   0.385
   13    H    TRP   3           H        TRP   3  -6.230  -2.022   2.283
   14    HA   TRP   3           HA       TRP   3  -4.347  -3.205   2.295
   15    HD1  TRP   3           HD1      TRP   3  -4.590  -4.637  -2.395
   16    HE1  TRP   3           HE1      TRP   3  -2.212  -5.460  -3.191
   17    HE3  TRP   3           HE3      TRP   3  -2.424  -4.511   2.205
   18    HZ2  TRP   3           HZ2      TRP   3   0.252  -5.955  -1.838
   19    HZ3  TRP   3           HZ3      TRP   3  -0.029  -5.180   2.380
   20    HH2  TRP   3           HH2      TRP   3   1.301  -5.883   0.454
   21    HB2  TRP   3           1HB      TRP   3  -5.225  -4.888   1.102
   22    HB3  TRP   3           2HB      TRP   3  -5.758  -3.847  -0.204
   23    H    LEU   4           H        LEU   4  -2.934  -1.361   2.624
   24    HA   LEU   4           HA       LEU   4  -1.774  -0.195   0.232
   25    HG   LEU   4           HG       LEU   4  -2.906   0.320   3.718
   26    HB2  LEU   4           1HB      LEU   4  -0.708   0.633   2.822
   27    HB3  LEU   4           2HB      LEU   4  -1.314   1.588   1.483
   28   HD11  LEU   4          1HD1      LEU   4  -1.670   2.814   3.473
   29   HD12  LEU   4          2HD1      LEU   4  -3.396   3.121   3.165
   30   HD13  LEU   4          3HD1      LEU   4  -2.890   2.326   4.674
   31   HD21  LEU   4          3HD2      LEU   4  -3.763   0.687   1.039
   32   HD22  LEU   4          1HD2      LEU   4  -4.726   0.217   2.460
   33   HD23  LEU   4          2HD2      LEU   4  -4.554   1.936   2.030
   34    HA   PRO   5           HA       PRO   5   1.425  -3.167   0.568
   35    HB2  PRO   5           1HB      PRO   5   2.572  -2.682  -1.865
   36    HB3  PRO   5           2HB      PRO   5   1.234  -3.792  -1.640
   37    HG2  PRO   5           1HG      PRO   5   1.211  -1.073  -2.800
   38    HG3  PRO   5           2HG      PRO   5   0.009  -2.341  -2.949
   39    HD2  PRO   5           1HD      PRO   5  -0.148  -0.015  -1.276
   40    HD3  PRO   5           2HD      PRO   5  -1.292  -1.340  -1.340
   41    HA   PRO   6           HA       PRO   6   4.582  -0.724   2.043
   42    HB2  PRO   6           1HB      PRO   6   6.391  -2.656   2.721
   43    HB3  PRO   6           2HB      PRO   6   5.053  -2.193   3.753
   44    HG2  PRO   6           1HG      PRO   6   5.360  -4.619   2.092
   45    HG3  PRO   6           2HG      PRO   6   4.262  -4.335   3.428
   46    HD2  PRO   6           1HD      PRO   6   3.607  -4.314   0.635
   47    HD3  PRO   6           2HD      PRO   6   2.538  -3.916   1.966
   48    H    ARG   7           H        ARG   7   6.494   0.316   1.468
   49    HA   ARG   7           HA       ARG   7   7.218  -0.422  -1.218
   50    HE   ARG   7           HE       ARG   7   9.607  -0.069  -2.485
   51    HB2  ARG   7           1HB      ARG   7   6.991   2.038   0.220
   52    HB3  ARG   7           2HB      ARG   7   8.697   1.860  -0.138
   53    HG2  ARG   7           1HG      ARG   7   6.661   1.345  -2.323
   54    HG3  ARG   7           2HG      ARG   7   7.075   2.995  -1.908
   55    HD2  ARG   7           1HD      ARG   7   8.611   2.449  -3.641
   56    HD3  ARG   7           2HD      ARG   7   9.561   2.274  -2.179
   57   HH11  ARG   7          2HH2      ARG   7   7.340   1.406  -4.774
   58   HH12  ARG   7          1HH2      ARG   7   7.160  -0.037  -5.715
   59   HH21  ARG   7          2HH1      ARG   7   8.362  -2.011  -5.081
  Start of MODEL    3
    1    HA   ALA   1           HA       ALA   1  -9.928   2.144  -1.311
    2    H1   ALA   1           1H       ALA   1  -9.042   4.041   0.427
    3    HB1  ALA   1           3HB      ALA   1  -8.067   3.001  -2.797
    4    HB2  ALA   1           1HB      ALA   1  -6.910   2.413  -1.579
    5    HB3  ALA   1           2HB      ALA   1  -7.976   1.264  -2.422
    6    H    THR   2           H        THR   2  -7.784   0.142  -0.797
    7    HA   THR   2           HA       THR   2  -7.397   0.199   2.065
    8    HB   THR   2           HB       THR   2  -8.872  -1.584   2.597
    9    HG1  THR   2           HG1      THR   2  -9.103  -1.939  -0.306
   10   HG21  THR   2          3HG2      THR   2 -10.239  -0.169   0.246
   11   HG22  THR   2          1HG2      THR   2 -11.066  -1.169   1.465
   12   HG23  THR   2          2HG2      THR   2 -10.297   0.364   1.943
   13    H    TRP   3           H        TRP   3  -6.289  -1.939   2.771
   14    HA   TRP   3           HA       TRP   3  -4.386  -3.076   2.608
   15    HD1  TRP   3           HD1      TRP   3  -5.206  -4.864  -1.889
   16    HE1  TRP   3           HE1      TRP   3  -2.930  -5.687  -2.941
   17    HE3  TRP   3           HE3      TRP   3  -2.450  -4.339   2.352
   18    HZ2  TRP   3           HZ2      TRP   3  -0.292  -6.019  -1.905
   19    HZ3  TRP   3           HZ3      TRP   3  -0.032  -4.935   2.246
   20    HH2  TRP   3           HH2      TRP   3   1.052  -5.750   0.213
   21    HB2  TRP   3           1HB      TRP   3  -5.358  -4.865   1.670
   22    HB3  TRP   3           2HB      TRP   3  -6.097  -3.939   0.379
   23    H    LEU   4           H        LEU   4  -3.007  -1.178   2.609
   24    HA   LEU   4           HA       LEU   4  -2.220  -0.168   0.003
   25    HG   LEU   4           HG       LEU   4  -2.890   0.581   3.566
   26    HB2  LEU   4           1HB      LEU   4  -0.844   0.879   2.357
   27    HB3  LEU   4           2HB      LEU   4  -1.658   1.716   1.048
   28   HD11  LEU   4          1HD1      LEU   4  -3.475   3.345   2.797
   29   HD12  LEU   4          2HD1      LEU   4  -2.929   2.671   4.351
   30   HD13  LEU   4          3HD1      LEU   4  -1.743   3.036   3.074
   31   HD21  LEU   4          3HD2      LEU   4  -4.952   1.865   2.340
   32   HD22  LEU   4          1HD2      LEU   4  -4.135   1.115   0.948
   33   HD23  LEU   4          2HD2      LEU   4  -4.686   0.105   2.306
   34    HA   PRO   5           HA       PRO   5   1.097  -3.026   0.110
   35    HB2  PRO   5           1HB      PRO   5   1.887  -2.699  -2.485
   36    HB3  PRO   5           2HB      PRO   5   0.632  -3.821  -2.000
   37    HG2  PRO   5           1HG      PRO   5   0.358  -1.200  -3.338
   38    HG3  PRO   5           2HG      PRO   5  -0.808  -2.504  -3.231
   39    HD2  PRO   5           1HD      PRO   5  -0.819  -0.063  -1.724
   40    HD3  PRO   5           2HD      PRO   5  -1.916  -1.416  -1.534
   41    HA   PRO   6           HA       PRO   6   4.336  -0.402   0.960
   42    HB2  PRO   6           1HB      PRO   6   6.287  -2.231   1.521
   43    HB3  PRO   6           2HB      PRO   6   5.085  -1.725   2.690
   44    HG2  PRO   6           1HG      PRO   6   5.248  -4.261   1.181
   45    HG3  PRO   6           2HG      PRO   6   4.332  -3.903   2.632
   46    HD2  PRO   6           1HD      PRO   6   3.307  -4.111  -0.040
   47    HD3  PRO   6           2HD      PRO   6   2.413  -3.639   1.392
   48    H    ARG   7           H        ARG   7   5.910   0.752  -0.069
   49    HA   ARG   7           HA       ARG   7   6.935   1.401  -1.876
   50    HE   ARG   7           HE       ARG   7  10.782   0.694  -3.997
   51    HB2  ARG   7           1HB      ARG   7   8.119  -1.212  -1.087
   52    HB3  ARG   7           2HB      ARG   7   8.498  -0.749  -2.735
   53    HG2  ARG   7           1HG      ARG   7   8.828   1.205  -0.425
   54    HG3  ARG   7           2HG      ARG   7  10.095   0.072  -0.849
   55    HD2  ARG   7           1HD      ARG   7   8.904   1.720  -3.076
   56    HD3  ARG   7           2HD      ARG   7   9.962   2.537  -1.943
   57   HH11  ARG   7          2HH2      ARG   7  11.552   1.605  -0.661
   58   HH12  ARG   7          1HH2      ARG   7  13.201   1.089  -0.769
   59   HH21  ARG   7          2HH1      ARG   7  14.007   0.156  -2.824
  Start of MODEL    4
    1    HA   ALA   1           HA       ALA   1  -9.235   2.138  -1.840
    2    H1   ALA   1           1H       ALA   1  -9.465   4.220  -1.103
    3    HB1  ALA   1           3HB      ALA   1  -6.827   3.544  -2.207
    4    HB2  ALA   1           1HB      ALA   1  -6.334   1.937  -1.621
    5    HB3  ALA   1           2HB      ALA   1  -7.354   2.080  -3.073
    6    H    THR   2           H        THR   2  -7.107   0.188  -1.226
    7    HA   THR   2           HA       THR   2  -7.210  -0.173   1.638
    8    HB   THR   2           HB       THR   2  -8.637  -2.070   1.646
    9    HG1  THR   2           HG1      THR   2  -8.395  -2.003  -1.274
   10   HG21  THR   2          3HG2      THR   2  -9.677  -0.372  -0.685
   11   HG22  THR   2          1HG2      THR   2 -10.632  -1.573   0.217
   12   HG23  THR   2          2HG2      THR   2 -10.053  -0.102   1.034
   13    H    TRP   3           H        TRP   3  -6.095  -2.339   2.224
   14    HA   TRP   3           HA       TRP   3  -4.097  -3.323   2.244
   15    HD1  TRP   3           HD1      TRP   3  -4.163  -4.656  -2.480
   16    HE1  TRP   3           HE1      TRP   3  -1.714  -5.246  -3.266
   17    HE3  TRP   3           HE3      TRP   3  -2.065  -4.450   2.148
   18    HZ2  TRP   3           HZ2      TRP   3   0.770  -5.553  -1.896
   19    HZ3  TRP   3           HZ3      TRP   3   0.379  -4.908   2.335
   20    HH2  TRP   3           HH2      TRP   3   1.786  -5.444   0.409
   21    HB2  TRP   3           1HB      TRP   3  -4.809  -5.048   1.001
   22    HB3  TRP   3           2HB      TRP   3  -5.420  -4.027  -0.285
   23    H    LEU   4           H        LEU   4  -2.857  -1.369   2.633
   24    HA   LEU   4           HA       LEU   4  -1.781  -0.046   0.283
   25    HG   LEU   4           HG       LEU   4  -2.990   0.281   3.767
   26    HB2  LEU   4           1HB      LEU   4  -0.820   0.810   2.904
   27    HB3  LEU   4           2HB      LEU   4  -1.494   1.739   1.580
   28   HD11  LEU   4          1HD1      LEU   4  -2.039   2.948   3.467
   29   HD12  LEU   4          2HD1      LEU   4  -3.816   2.983   3.381
   30   HD13  LEU   4          3HD1      LEU   4  -3.007   2.248   4.786
   31   HD21  LEU   4          3HD2      LEU   4  -4.721   1.806   2.040
   32   HD22  LEU   4          1HD2      LEU   4  -3.850   0.568   1.103
   33   HD23  LEU   4          2HD2      LEU   4  -4.816   0.095   2.521
   34    HA   PRO   5           HA       PRO   5   1.666  -2.730   0.589
   35    HB2  PRO   5           1HB      PRO   5   2.789  -2.087  -1.818
   36    HB3  PRO   5           2HB      PRO   5   1.554  -3.316  -1.635
   37    HG2  PRO   5           1HG      PRO   5   1.300  -0.583  -2.732
   38    HG3  PRO   5           2HG      PRO   5   0.218  -1.948  -2.925
   39    HD2  PRO   5           1HD      PRO   5  -0.163   0.313  -1.202
   40    HD3  PRO   5           2HD      PRO   5  -1.185  -1.107  -1.309
   41    HA   PRO   6           HA       PRO   6   4.577  -0.052   2.157
   42    HB2  PRO   6           1HB      PRO   6   6.546  -1.831   2.813
   43    HB3  PRO   6           2HB      PRO   6   5.161  -1.513   3.839
   44    HG2  PRO   6           1HG      PRO   6   5.699  -3.863   2.127
   45    HG3  PRO   6           2HG      PRO   6   4.567  -3.709   3.456
   46    HD2  PRO   6           1HD      PRO   6   3.942  -3.680   0.656
   47    HD3  PRO   6           2HD      PRO   6   2.827  -3.410   1.982
   48    H    ARG   7           H        ARG   7   6.547   1.053   1.733
   49    HA   ARG   7           HA       ARG   7   8.063   0.024  -0.437
   50    HE   ARG   7           HE       ARG   7   9.612  -0.680  -2.385
   51    HB2  ARG   7           1HB      ARG   7   5.958   2.027  -0.904
   52    HB3  ARG   7           2HB      ARG   7   7.529   2.647  -1.369
   53    HG2  ARG   7           1HG      ARG   7   6.562  -0.106  -2.248
   54    HG3  ARG   7           2HG      ARG   7   6.197   1.341  -3.168
   55    HD2  ARG   7           1HD      ARG   7   8.213   1.101  -4.189
   56    HD3  ARG   7           2HD      ARG   7   8.967   1.545  -2.671
   57   HH11  ARG   7          2HH2      ARG   7   6.911  -0.588  -4.678
   58   HH12  ARG   7          1HH2      ARG   7   6.994  -2.281  -5.034
   59   HH21  ARG   7          2HH1      ARG   7   8.653  -3.629  -3.951
  Start of MODEL    5
    1    HA   ALA   1           HA       ALA   1  -8.850   2.837  -1.883
    2    H1   ALA   1           1H       ALA   1  -8.752   4.645  -0.198
    3    HB1  ALA   1           3HB      ALA   1  -6.040   2.194  -1.764
    4    HB2  ALA   1           1HB      ALA   1  -7.050   2.532  -3.190
    5    HB3  ALA   1           2HB      ALA   1  -6.234   3.866  -2.341
    6    H    THR   2           H        THR   2  -7.066   0.644  -1.176
    7    HA   THR   2           HA       THR   2  -7.030   0.546   1.711
    8    HB   THR   2           HB       THR   2  -8.750  -1.067   1.973
    9    HG1  THR   2           HG1      THR   2  -8.329  -1.320  -0.917
   10   HG21  THR   2          3HG2      THR   2  -9.857   1.055   1.253
   11   HG22  THR   2          1HG2      THR   2  -9.648   0.581  -0.450
   12   HG23  THR   2          2HG2      THR   2 -10.727  -0.358   0.609
   13    H    TRP   3           H        TRP   3  -6.254  -1.724   2.435
   14    HA   TRP   3           HA       TRP   3  -4.456  -3.038   2.439
   15    HD1  TRP   3           HD1      TRP   3  -5.051  -4.703  -2.141
   16    HE1  TRP   3           HE1      TRP   3  -2.791  -5.765  -2.995
   17    HE3  TRP   3           HE3      TRP   3  -2.653  -4.504   2.339
   18    HZ2  TRP   3           HZ2      TRP   3  -0.311  -6.389  -1.730
   19    HZ3  TRP   3           HZ3      TRP   3  -0.315  -5.361   2.444
   20    HH2  TRP   3           HH2      TRP   3   0.856  -6.279   0.504
   21    HB2  TRP   3           1HB      TRP   3  -5.527  -4.706   1.389
   22    HB3  TRP   3           2HB      TRP   3  -6.039  -3.697   0.051
   23    H    LEU   4           H        LEU   4  -2.884  -1.303   2.593
   24    HA   LEU   4           HA       LEU   4  -1.755  -0.373   0.084
   25    HG   LEU   4           HG       LEU   4  -2.665   0.427   3.583
   26    HB2  LEU   4           1HB      LEU   4  -0.496   0.504   2.569
   27    HB3  LEU   4           2HB      LEU   4  -1.090   1.431   1.205
   28   HD11  LEU   4          1HD1      LEU   4  -1.211   2.729   3.267
   29   HD12  LEU   4          2HD1      LEU   4  -2.843   3.248   2.782
   30   HD13  LEU   4          3HD1      LEU   4  -2.581   2.515   4.383
   31   HD21  LEU   4          3HD2      LEU   4  -4.380   0.160   2.162
   32   HD22  LEU   4          1HD2      LEU   4  -4.451   1.940   2.190
   33   HD23  LEU   4          2HD2      LEU   4  -3.598   1.103   0.871
   34    HA   PRO   5           HA       PRO   5   1.205  -3.580   0.451
   35    HB2  PRO   5           1HB      PRO   5   2.263  -3.329  -2.057
   36    HB3  PRO   5           2HB      PRO   5   0.853  -4.309  -1.705
   37    HG2  PRO   5           1HG      PRO   5   0.990  -1.667  -3.023
   38    HG3  PRO   5           2HG      PRO   5  -0.315  -2.835  -3.041
   39    HD2  PRO   5           1HD      PRO   5  -0.198  -0.415  -1.505
   40    HD3  PRO   5           2HD      PRO   5  -1.449  -1.641  -1.437
   41    HA   PRO   6           HA       PRO   6   4.619  -1.331   1.631
   42    HB2  PRO   6           1HB      PRO   6   6.298  -3.367   2.343
   43    HB3  PRO   6           2HB      PRO   6   5.055  -2.734   3.404
   44    HG2  PRO   6           1HG      PRO   6   5.079  -5.268   1.882
   45    HG3  PRO   6           2HG      PRO   6   4.076  -4.816   3.247
   46    HD2  PRO   6           1HD      PRO   6   3.287  -4.900   0.491
   47    HD3  PRO   6           2HD      PRO   6   2.322  -4.338   1.840
   48    H    ARG   7           H        ARG   7   6.934  -0.898   1.176
   49    HA   ARG   7           HA       ARG   7   7.236  -1.354  -1.639
   50    HE   ARG   7           HE       ARG   7   7.892   3.963  -1.666
   51    HB2  ARG   7           1HB      ARG   7   7.875   0.762   0.101
   52    HB3  ARG   7           2HB      ARG   7   9.440   0.062  -0.261
   53    HG2  ARG   7           1HG      ARG   7   9.387   1.265  -2.190
   54    HG3  ARG   7           2HG      ARG   7   8.216   0.096  -2.768
   55    HD2  ARG   7           1HD      ARG   7   6.600   1.689  -2.807
   56    HD3  ARG   7           2HD      ARG   7   6.812   1.985  -1.094
   57   HH11  ARG   7          2HH2      ARG   7   8.383   1.652  -4.307
   58   HH12  ARG   7          1HH2      ARG   7   9.283   2.766  -5.280
   59   HH21  ARG   7          2HH1      ARG   7   9.682   4.984  -4.463
  Start of MODEL    6
    1    HA   ALA   1           HA       ALA   1  -8.724   2.743  -1.968
    2    H1   ALA   1           1H       ALA   1  -7.350   4.687  -0.240
    3    HB1  ALA   1           3HB      ALA   1  -5.906   2.212  -1.714
    4    HB2  ALA   1           1HB      ALA   1  -6.837   2.609  -3.177
    5    HB3  ALA   1           2HB      ALA   1  -6.130   3.912  -2.192
    6    H    THR   2           H        THR   2  -6.896   0.593  -1.269
    7    HA   THR   2           HA       THR   2  -7.017   0.340   1.606
    8    HB   THR   2           HB       THR   2  -8.680  -1.353   1.683
    9    HG1  THR   2           HG1      THR   2  -9.219  -2.457  -0.366
   10   HG21  THR   2          3HG2      THR   2 -10.605  -0.651   0.245
   11   HG22  THR   2          1HG2      THR   2  -9.834   0.760   1.009
   12   HG23  THR   2          2HG2      THR   2  -9.510   0.387  -0.700
   13    H    TRP   3           H        TRP   3  -6.187  -1.931   2.256
   14    HA   TRP   3           HA       TRP   3  -4.315  -3.146   2.301
   15    HD1  TRP   3           HD1      TRP   3  -4.670  -4.699  -2.342
   16    HE1  TRP   3           HE1      TRP   3  -2.336  -5.636  -3.141
   17    HE3  TRP   3           HE3      TRP   3  -2.446  -4.528   2.228
   18    HZ2  TRP   3           HZ2      TRP   3   0.123  -6.189  -1.802
   19    HZ3  TRP   3           HZ3      TRP   3  -0.076  -5.285   2.395
   20    HH2  TRP   3           HH2      TRP   3   1.202  -6.094   0.476
   21    HB2  TRP   3           1HB      TRP   3  -5.272  -4.826   1.167
   22    HB3  TRP   3           2HB      TRP   3  -5.780  -3.803  -0.162
   23    H    LEU   4           H        LEU   4  -2.829  -1.350   2.561
   24    HA   LEU   4           HA       LEU   4  -1.654  -0.298   0.124
   25    HG   LEU   4           HG       LEU   4  -2.722   0.358   3.608
   26    HB2  LEU   4           1HB      LEU   4  -0.524   0.560   2.678
   27    HB3  LEU   4           2HB      LEU   4  -1.109   1.500   1.319
   28   HD11  LEU   4          1HD1      LEU   4  -2.981   2.501   4.366
   29   HD12  LEU   4          2HD1      LEU   4  -1.359   2.622   3.643
   30   HD13  LEU   4          3HD1      LEU   4  -2.778   3.222   2.751
   31   HD21  LEU   4          3HD2      LEU   4  -4.500   0.198   2.292
   32   HD22  LEU   4          1HD2      LEU   4  -4.399   1.951   2.000
   33   HD23  LEU   4          2HD2      LEU   4  -3.583   0.817   0.897
   34    HA   PRO   5           HA       PRO   5   1.432  -3.382   0.511
   35    HB2  PRO   5           1HB      PRO   5   2.567  -3.011  -1.948
   36    HB3  PRO   5           2HB      PRO   5   1.190  -4.061  -1.676
   37    HG2  PRO   5           1HG      PRO   5   1.259  -1.378  -2.914
   38    HG3  PRO   5           2HG      PRO   5   0.007  -2.601  -3.013
   39    HD2  PRO   5           1HD      PRO   5  -0.040  -0.225  -1.407
   40    HD3  PRO   5           2HD      PRO   5  -1.236  -1.505  -1.419
   41    HA   PRO   6           HA       PRO   6   4.699  -1.024   1.879
   42    HB2  PRO   6           1HB      PRO   6   6.441  -3.005   2.593
   43    HB3  PRO   6           2HB      PRO   6   5.133  -2.460   3.625
   44    HG2  PRO   6           1HG      PRO   6   5.325  -4.943   2.033
   45    HG3  PRO   6           2HG      PRO   6   4.256  -4.578   3.372
   46    HD2  PRO   6           1HD      PRO   6   3.569  -4.610   0.588
   47    HD3  PRO   6           2HD      PRO   6   2.532  -4.134   1.917
   48    H    ARG   7           H        ARG   7   6.901  -0.335   1.447
   49    HA   ARG   7           HA       ARG   7   7.344  -0.703  -1.337
   50    HE   ARG   7           HE       ARG   7   5.708   0.605  -2.405
   51    HB2  ARG   7           1HB      ARG   7   7.877   1.327   0.530
   52    HB3  ARG   7           2HB      ARG   7   9.472   0.685   0.188
   53    HG2  ARG   7           1HG      ARG   7   9.224   2.320  -1.491
   54    HG3  ARG   7           2HG      ARG   7   8.775   0.851  -2.336
   55    HD2  ARG   7           1HD      ARG   7   6.533   2.241  -0.922
   56    HD3  ARG   7           2HD      ARG   7   7.221   3.118  -2.274
   57   HH11  ARG   7          2HH2      ARG   7   7.961   2.737  -4.118
   58   HH12  ARG   7          1HH2      ARG   7   7.550   2.119  -5.682
   59   HH21  ARG   7          2HH1      ARG   7   5.904   0.386  -5.866
  Start of MODEL    7
    1    HA   ALA   1           HA       ALA   1  -9.092   2.660  -1.627
    2    H1   ALA   1           1H       ALA   1  -8.682   4.889  -1.134
    3    HB1  ALA   1           3HB      ALA   1  -6.194   2.212  -1.504
    4    HB2  ALA   1           1HB      ALA   1  -7.268   2.342  -2.917
    5    HB3  ALA   1           2HB      ALA   1  -6.612   3.812  -2.160
    6    H    THR   2           H        THR   2  -7.095   0.521  -1.091
    7    HA   THR   2           HA       THR   2  -7.168   0.148   1.773
    8    HB   THR   2           HB       THR   2  -8.740  -1.630   1.799
    9    HG1  THR   2           HG1      THR   2  -7.911  -2.833   0.018
   10   HG21  THR   2          3HG2      THR   2 -10.007   0.448   1.230
   11   HG22  THR   2          1HG2      THR   2  -9.690   0.163  -0.498
   12   HG23  THR   2          2HG2      THR   2 -10.718  -0.966   0.416
   13    H    TRP   3           H        TRP   3  -6.224  -2.112   2.317
   14    HA   TRP   3           HA       TRP   3  -4.297  -3.236   2.295
   15    HD1  TRP   3           HD1      TRP   3  -4.609  -4.586  -2.413
   16    HE1  TRP   3           HE1      TRP   3  -2.238  -5.369  -3.267
   17    HE3  TRP   3           HE3      TRP   3  -2.363  -4.520   2.148
   18    HZ2  TRP   3           HZ2      TRP   3   0.254  -5.862  -1.968
   19    HZ3  TRP   3           HZ3      TRP   3   0.042  -5.166   2.268
   20    HH2  TRP   3           HH2      TRP   3   1.344  -5.821   0.305
   21    HB2  TRP   3           1HB      TRP   3  -5.178  -4.906   1.088
   22    HB3  TRP   3           2HB      TRP   3  -5.746  -3.847  -0.188
   23    H    LEU   4           H        LEU   4  -2.897  -1.384   2.632
   24    HA   LEU   4           HA       LEU   4  -1.792  -0.163   0.241
   25    HG   LEU   4           HG       LEU   4  -2.866   0.278   3.757
   26    HB2  LEU   4           1HB      LEU   4  -0.688   0.631   2.827
   27    HB3  LEU   4           2HB      LEU   4  -1.328   1.603   1.517
   28   HD11  LEU   4          1HD1      LEU   4  -2.410   2.236   4.730
   29   HD12  LEU   4          2HD1      LEU   4  -1.884   2.982   3.203
   30   HD13  LEU   4          3HD1      LEU   4  -3.614   2.921   3.613
   31   HD21  LEU   4          3HD2      LEU   4  -4.574   0.018   2.350
   32   HD22  LEU   4          1HD2      LEU   4  -4.696   1.794   2.340
   33   HD23  LEU   4          2HD2      LEU   4  -3.773   0.959   1.068
   34    HA   PRO   5           HA       PRO   5   1.442  -3.106   0.468
   35    HB2  PRO   5           1HB      PRO   5   2.540  -2.566  -1.976
   36    HB3  PRO   5           2HB      PRO   5   1.218  -3.694  -1.747
   37    HG2  PRO   5           1HG      PRO   5   1.146  -0.955  -2.859
   38    HG3  PRO   5           2HG      PRO   5  -0.045  -2.232  -3.008
   39    HD2  PRO   5           1HD      PRO   5  -0.195   0.061  -1.292
   40    HD3  PRO   5           2HD      PRO   5  -1.328  -1.275  -1.359
   41    HA   PRO   6           HA       PRO   6   4.600  -0.657   1.929
   42    HB2  PRO   6           1HB      PRO   6   6.442  -2.581   2.540
   43    HB3  PRO   6           2HB      PRO   6   5.117  -2.150   3.604
   44    HG2  PRO   6           1HG      PRO   6   5.419  -4.544   1.895
   45    HG3  PRO   6           2HG      PRO   6   4.342  -4.294   3.255
   46    HD2  PRO   6           1HD      PRO   6   3.637  -4.231   0.475
   47    HD3  PRO   6           2HD      PRO   6   2.588  -3.868   1.831
   48    H    ARG   7           H        ARG   7   6.220   0.587   1.141
   49    HA   ARG   7           HA       ARG   7   7.933  -0.629  -0.773
   50    HE   ARG   7           HE       ARG   7   9.510  -0.678  -2.035
   51    HB2  ARG   7           1HB      ARG   7   5.634   1.030  -1.619
   52    HB3  ARG   7           2HB      ARG   7   7.156   1.661  -2.216
   53    HG2  ARG   7           1HG      ARG   7   6.438  -1.287  -2.486
   54    HG3  ARG   7           2HG      ARG   7   5.932  -0.107  -3.679
   55    HD2  ARG   7           1HD      ARG   7   8.258  -1.422  -3.927
   56    HD3  ARG   7           2HD      ARG   7   8.092   0.235  -4.473
   57   HH11  ARG   7          2HH2      ARG   7   8.363   2.055  -3.975
   58   HH12  ARG   7          1HH2      ARG   7   9.420   3.199  -3.214
   59   HH21  ARG   7          2HH1      ARG   7  10.904   2.455  -1.485
  Start of MODEL    8
    1    HA   ALA   1           HA       ALA   1  -9.880   2.094  -0.919
    2    H1   ALA   1           1H       ALA   1  -9.594   4.101   0.361
    3    HB1  ALA   1           3HB      ALA   1  -7.650   3.104  -2.249
    4    HB2  ALA   1           1HB      ALA   1  -7.017   1.667  -1.410
    5    HB3  ALA   1           2HB      ALA   1  -8.400   1.511  -2.520
    6    H    THR   2           H        THR   2  -7.719   0.096  -0.468
    7    HA   THR   2           HA       THR   2  -7.097   0.310   2.345
    8    HB   THR   2           HB       THR   2  -8.539  -1.420   3.098
    9    HG1  THR   2           HG1      THR   2  -9.580  -2.769   1.338
   10   HG21  THR   2          3HG2      THR   2  -9.994   0.508   2.453
   11   HG22  THR   2          1HG2      THR   2 -10.083  -0.122   0.790
   12   HG23  THR   2          2HG2      THR   2 -10.815  -1.038   2.128
   13    H    TRP   3           H        TRP   3  -5.949  -1.794   3.081
   14    HA   TRP   3           HA       TRP   3  -4.036  -2.910   2.817
   15    HD1  TRP   3           HD1      TRP   3  -5.437  -5.213  -1.298
   16    HE1  TRP   3           HE1      TRP   3  -3.315  -6.126  -2.573
   17    HE3  TRP   3           HE3      TRP   3  -2.107  -4.131   2.389
   18    HZ2  TRP   3           HZ2      TRP   3  -0.544  -6.290  -1.911
   19    HZ3  TRP   3           HZ3      TRP   3   0.288  -4.699   1.994
   20    HH2  TRP   3           HH2      TRP   3   1.087  -5.742  -0.067
   21    HB2  TRP   3           1HB      TRP   3  -5.085  -4.791   2.207
   22    HB3  TRP   3           2HB      TRP   3  -6.010  -4.007   0.942
   23    H    LEU   4           H        LEU   4  -2.676  -1.037   2.438
   24    HA   LEU   4           HA       LEU   4  -2.240  -0.292  -0.329
   25    HG   LEU   4           HG       LEU   4  -2.378   0.774   3.217
   26    HB2  LEU   4           1HB      LEU   4  -0.527   0.913   1.708
   27    HB3  LEU   4           2HB      LEU   4  -1.506   1.657   0.460
   28   HD11  LEU   4          1HD1      LEU   4  -1.320   2.907   3.253
   29   HD12  LEU   4          2HD1      LEU   4  -2.227   3.456   1.824
   30   HD13  LEU   4          3HD1      LEU   4  -3.075   3.184   3.366
   31   HD21  LEU   4          3HD2      LEU   4  -4.563   2.035   2.099
   32   HD22  LEU   4          1HD2      LEU   4  -3.971   1.003   0.774
   33   HD23  LEU   4          2HD2      LEU   4  -4.375   0.282   2.350
   34    HA   PRO   5           HA       PRO   5   1.110  -3.038  -0.631
   35    HB2  PRO   5           1HB      PRO   5   1.940  -2.361  -3.144
   36    HB3  PRO   5           2HB      PRO   5   0.633  -3.486  -2.838
   37    HG2  PRO   5           1HG      PRO   5   0.485  -0.686  -3.769
   38    HG3  PRO   5           2HG      PRO   5  -0.736  -1.939  -3.861
   39    HD2  PRO   5           1HD      PRO   5  -0.658   0.248  -2.007
   40    HD3  PRO   5           2HD      PRO   5  -1.813  -1.069  -2.025
   41    HA   PRO   6           HA       PRO   6   4.451  -0.714   0.613
   42    HB2  PRO   6           1HB      PRO   6   6.316  -2.691   0.901
   43    HB3  PRO   6           2HB      PRO   6   5.125  -2.311   2.129
   44    HG2  PRO   6           1HG      PRO   6   5.195  -4.600   0.257
   45    HG3  PRO   6           2HG      PRO   6   4.280  -4.423   1.742
   46    HD2  PRO   6           1HD      PRO   6   3.273  -4.183  -0.934
   47    HD3  PRO   6           2HD      PRO   6   2.386  -3.892   0.550
   48    H    ARG   7           H        ARG   7   6.061   0.522  -0.236
   49    HA   ARG   7           HA       ARG   7   7.375   1.283  -1.772
   50    HE   ARG   7           HE       ARG   7   8.972   0.595   0.985
   51    HB2  ARG   7           1HB      ARG   7   8.014  -1.520  -1.644
   52    HB3  ARG   7           2HB      ARG   7   8.074  -1.066  -3.335
   53    HG2  ARG   7           1HG      ARG   7  10.201  -0.376  -2.824
   54    HG3  ARG   7           2HG      ARG   7   9.393   1.071  -2.252
   55    HD2  ARG   7           1HD      ARG   7   9.605  -1.227  -0.317
   56    HD3  ARG   7           2HD      ARG   7  11.083  -0.364  -0.689
   57   HH11  ARG   7          2HH2      ARG   7  11.142   1.773  -1.557
   58   HH12  ARG   7          1HH2      ARG   7  11.117   3.410  -0.991
   59   HH21  ARG   7          2HH1      ARG   7   9.814   3.964   0.942
  Start of MODEL    9
    1    HA   ALA   1           HA       ALA   1 -10.206   1.788  -0.579
    2    H1   ALA   1           1H       ALA   1  -8.937   4.196  -0.345
    3    HB1  ALA   1           3HB      ALA   1  -8.189   3.102  -1.863
    4    HB2  ALA   1           1HB      ALA   1  -7.277   1.787  -1.084
    5    HB3  ALA   1           2HB      ALA   1  -8.628   1.406  -2.178
    6    H    THR   2           H        THR   2  -7.893  -0.080  -0.387
    7    HA   THR   2           HA       THR   2  -7.269  -0.185   2.431
    8    HB   THR   2           HB       THR   2  -8.567  -2.105   2.948
    9    HG1  THR   2           HG1      THR   2  -8.522  -3.588   1.308
   10   HG21  THR   2          3HG2      THR   2 -10.224  -0.641   0.825
   11   HG22  THR   2          1HG2      THR   2 -10.873  -1.779   2.030
   12   HG23  THR   2          2HG2      THR   2 -10.172  -0.229   2.555
   13    H    TRP   3           H        TRP   3  -5.960  -2.278   2.889
   14    HA   TRP   3           HA       TRP   3  -3.983  -3.223   2.490
   15    HD1  TRP   3           HD1      TRP   3  -5.137  -4.920  -1.968
   16    HE1  TRP   3           HE1      TRP   3  -2.930  -5.519  -3.284
   17    HE3  TRP   3           HE3      TRP   3  -1.993  -4.313   1.982
   18    HZ2  TRP   3           HZ2      TRP   3  -0.178  -5.670  -2.542
   19    HZ3  TRP   3           HZ3      TRP   3   0.440  -4.706   1.601
   20    HH2  TRP   3           HH2      TRP   3   1.359  -5.361  -0.567
   21    HB2  TRP   3           1HB      TRP   3  -4.907  -5.052   1.584
   22    HB3  TRP   3           2HB      TRP   3  -5.849  -4.148   0.416
   23    H    LEU   4           H        LEU   4  -2.761  -1.221   2.427
   24    HA   LEU   4           HA       LEU   4  -2.337  -0.064  -0.202
   25    HG   LEU   4           HG       LEU   4  -2.679   0.510   3.440
   26    HB2  LEU   4           1HB      LEU   4  -0.803   1.014   2.039
   27    HB3  LEU   4           2HB      LEU   4  -1.813   1.824   0.857
   28   HD11  LEU   4          1HD1      LEU   4  -2.409   2.553   4.261
   29   HD12  LEU   4          2HD1      LEU   4  -2.015   3.204   2.651
   30   HD13  LEU   4          3HD1      LEU   4  -3.711   3.113   3.184
   31   HD21  LEU   4          3HD2      LEU   4  -4.173   0.627   1.033
   32   HD22  LEU   4          1HD2      LEU   4  -4.721   0.150   2.658
   33   HD23  LEU   4          2HD2      LEU   4  -4.852   1.846   2.138
   34    HA   PRO   5           HA       PRO   5   1.183  -2.646  -0.556
   35    HB2  PRO   5           1HB      PRO   5   1.665  -2.168  -3.204
   36    HB3  PRO   5           2HB      PRO   5   0.559  -3.405  -2.639
   37    HG2  PRO   5           1HG      PRO   5  -0.057  -0.771  -3.831
   38    HG3  PRO   5           2HG      PRO   5  -1.100  -2.168  -3.657
   39    HD2  PRO   5           1HD      PRO   5  -1.139   0.212  -2.057
   40    HD3  PRO   5           2HD      PRO   5  -2.101  -1.232  -1.813
   41    HA   PRO   6           HA       PRO   6   4.021   0.511   0.171
   42    HB2  PRO   6           1HB      PRO   6   5.857  -0.971   1.549
   43    HB3  PRO   6           2HB      PRO   6   4.486  -0.192   2.314
   44    HG2  PRO   6           1HG      PRO   6   4.881  -3.056   1.694
   45    HG3  PRO   6           2HG      PRO   6   3.749  -2.321   2.811
   46    HD2  PRO   6           1HD      PRO   6   3.156  -3.371   0.208
   47    HD3  PRO   6           2HD      PRO   6   2.049  -2.532   1.277
   48    H    ARG   7           H        ARG   7   5.721   1.376  -0.928
   49    HA   ARG   7           HA       ARG   7   7.144   1.503  -2.551
   50    HE   ARG   7           HE       ARG   7  10.179  -0.520   0.623
   51    HB2  ARG   7           1HB      ARG   7   8.103  -0.501  -0.838
   52    HB3  ARG   7           2HB      ARG   7   8.236  -1.251  -2.417
   53    HG2  ARG   7           1HG      ARG   7  10.135  -0.065  -2.767
   54    HG3  ARG   7           2HG      ARG   7   9.172   1.399  -2.797
   55    HD2  ARG   7           1HD      ARG   7  10.868   1.722  -1.104
   56    HD3  ARG   7           2HD      ARG   7   9.354   1.489  -0.253
   57   HH11  ARG   7          2HH2      ARG   7  12.187   0.430  -2.136
   58   HH12  ARG   7          1HH2      ARG   7  13.365  -0.810  -1.865
   59   HH21  ARG   7          2HH1      ARG   7  13.078  -2.321  -0.026
  Start of MODEL   10
    1    HA   ALA   1           HA       ALA   1 -10.098   1.887  -0.762
    2    H1   ALA   1           1H       ALA   1  -9.726   4.251  -0.555
    3    HB1  ALA   1           3HB      ALA   1  -8.047   1.300  -1.936
    4    HB2  ALA   1           1HB      ALA   1  -8.414   3.017  -2.231
    5    HB3  ALA   1           2HB      ALA   1  -7.146   2.565  -1.066
    6    H    THR   2           H        THR   2  -7.857   0.018  -0.480
    7    HA   THR   2           HA       THR   2  -7.303  -0.111   2.352
    8    HB   THR   2           HB       THR   2  -8.649  -2.007   2.830
    9    HG1  THR   2           HG1      THR   2  -9.067  -2.175  -0.066
   10   HG21  THR   2          3HG2      THR   2 -10.926  -1.637   1.855
   11   HG22  THR   2          1HG2      THR   2 -10.211  -0.103   2.404
   12   HG23  THR   2          2HG2      THR   2 -10.225  -0.508   0.671
   13    H    TRP   3           H        TRP   3  -6.045  -2.230   2.832
   14    HA   TRP   3           HA       TRP   3  -4.078  -3.210   2.476
   15    HD1  TRP   3           HD1      TRP   3  -5.150  -4.860  -2.020
   16    HE1  TRP   3           HE1      TRP   3  -2.922  -5.493  -3.284
   17    HE3  TRP   3           HE3      TRP   3  -2.095  -4.335   2.011
   18    HZ2  TRP   3           HZ2      TRP   3  -0.193  -5.699  -2.474
   19    HZ3  TRP   3           HZ3      TRP   3   0.337  -4.770   1.689
   20    HH2  TRP   3           HH2      TRP   3   1.300  -5.431  -0.458
   21    HB2  TRP   3           1HB      TRP   3  -5.012  -5.017   1.535
   22    HB3  TRP   3           2HB      TRP   3  -5.907  -4.087   0.350
   23    H    LEU   4           H        LEU   4  -2.817  -1.231   2.457
   24    HA   LEU   4           HA       LEU   4  -2.305  -0.067  -0.153
   25    HG   LEU   4           HG       LEU   4  -2.728   0.491   3.483
   26    HB2  LEU   4           1HB      LEU   4  -0.809   0.967   2.133
   27    HB3  LEU   4           2HB      LEU   4  -1.773   1.803   0.931
   28   HD11  LEU   4          1HD1      LEU   4  -1.847   2.655   3.900
   29   HD12  LEU   4          2HD1      LEU   4  -2.671   3.344   2.480
   30   HD13  LEU   4          3HD1      LEU   4  -3.620   2.815   3.891
   31   HD21  LEU   4          3HD2      LEU   4  -4.212   1.056   0.997
   32   HD22  LEU   4          1HD2      LEU   4  -4.588  -0.046   2.343
   33   HD23  LEU   4          2HD2      LEU   4  -4.957   1.690   2.484
   34    HA   PRO   5           HA       PRO   5   1.175  -2.714  -0.434
   35    HB2  PRO   5           1HB      PRO   5   1.733  -2.229  -3.066
   36    HB3  PRO   5           2HB      PRO   5   0.590  -3.448  -2.538
   37    HG2  PRO   5           1HG      PRO   5   0.054  -0.796  -3.727
   38    HG3  PRO   5           2HG      PRO   5  -1.020  -2.174  -3.589
   39    HD2  PRO   5           1HD      PRO   5  -1.055   0.197  -1.976
   40    HD3  PRO   5           2HD      PRO   5  -2.051  -1.230  -1.765
   41    HA   PRO   6           HA       PRO   6   4.051   0.384   0.385
   42    HB2  PRO   6           1HB      PRO   6   5.824  -1.140   1.799
   43    HB3  PRO   6           2HB      PRO   6   4.449  -0.340   2.533
   44    HG2  PRO   6           1HG      PRO   6   4.807  -3.207   1.906
   45    HG3  PRO   6           2HG      PRO   6   3.659  -2.457   2.998
   46    HD2  PRO   6           1HD      PRO   6   3.114  -3.480   0.374
   47    HD3  PRO   6           2HD      PRO   6   1.996  -2.627   1.421
   48    H    ARG   7           H        ARG   7   6.331   0.912  -0.085
   49    HA   ARG   7           HA       ARG   7   7.963   0.970  -1.499
   50    HE   ARG   7           HE       ARG   7  10.160   0.633  -3.559
   51    HB2  ARG   7           1HB      ARG   7   7.695  -1.867  -0.839
   52    HB3  ARG   7           2HB      ARG   7   8.304  -1.693  -2.473
   53    HG2  ARG   7           1HG      ARG   7   9.563   0.134  -0.481
   54    HG3  ARG   7           2HG      ARG   7   9.868  -1.570  -0.202
   55    HD2  ARG   7           1HD      ARG   7  11.616  -1.091  -1.673
   56    HD3  ARG   7           2HD      ARG   7  10.394  -1.598  -2.822
   57   HH11  ARG   7          2HH2      ARG   7  12.148   0.537  -0.629
   58   HH12  ARG   7          1HH2      ARG   7  12.659   2.186  -0.772
   59   HH21  ARG   7          2HH1      ARG   7  11.874   3.503  -2.614
  Start of MODEL   11
    1    HA   ALA   1           HA       ALA   1  -9.438   2.406  -1.613
    2    H1   ALA   1           1H       ALA   1  -8.108   4.307   0.166
    3    HB1  ALA   1           3HB      ALA   1  -6.571   2.010  -1.660
    4    HB2  ALA   1           1HB      ALA   1  -7.691   2.274  -3.018
    5    HB3  ALA   1           2HB      ALA   1  -6.960   3.667  -2.183
    6    H    THR   2           H        THR   2  -7.424   0.347  -1.104
    7    HA   THR   2           HA       THR   2  -7.240   0.120   1.769
    8    HB   THR   2           HB       THR   2  -8.794  -1.656   2.025
    9    HG1  THR   2           HG1      THR   2  -8.844  -1.735  -0.905
   10   HG21  THR   2          3HG2      THR   2 -10.120   0.387   1.464
   11   HG22  THR   2          1HG2      THR   2  -9.953   0.014  -0.269
   12   HG23  THR   2          2HG2      THR   2 -10.890  -1.069   0.789
   13    H    TRP   3           H        TRP   3  -6.222  -2.090   2.348
   14    HA   TRP   3           HA       TRP   3  -4.366  -3.297   2.198
   15    HD1  TRP   3           HD1      TRP   3  -4.826  -4.506  -2.536
   16    HE1  TRP   3           HE1      TRP   3  -2.487  -5.280  -3.482
   17    HE3  TRP   3           HE3      TRP   3  -2.448  -4.590   1.956
   18    HZ2  TRP   3           HZ2      TRP   3   0.038  -5.828  -2.272
   19    HZ3  TRP   3           HZ3      TRP   3  -0.045  -5.256   1.987
   20    HH2  TRP   3           HH2      TRP   3   1.194  -5.861  -0.031
   21    HB2  TRP   3           1HB      TRP   3  -5.296  -4.925   0.968
   22    HB3  TRP   3           2HB      TRP   3  -5.892  -3.826  -0.259
   23    H    LEU   4           H        LEU   4  -2.944  -1.465   2.549
   24    HA   LEU   4           HA       LEU   4  -1.900  -0.182   0.163
   25    HG   LEU   4           HG       LEU   4  -2.867   0.162   3.721
   26    HB2  LEU   4           1HB      LEU   4  -0.715   0.527   2.737
   27    HB3  LEU   4           2HB      LEU   4  -1.384   1.542   1.475
   28   HD11  LEU   4          1HD1      LEU   4  -3.390   2.984   3.324
   29   HD12  LEU   4          2HD1      LEU   4  -2.809   2.121   4.767
   30   HD13  LEU   4          3HD1      LEU   4  -1.650   2.673   3.534
   31   HD21  LEU   4          3HD2      LEU   4  -4.778   1.658   2.487
   32   HD22  LEU   4          1HD2      LEU   4  -3.858   1.049   1.089
   33   HD23  LEU   4          2HD2      LEU   4  -4.554  -0.095   2.262
   34    HA   PRO   5           HA       PRO   5   1.318  -3.152   0.206
   35    HB2  PRO   5           1HB      PRO   5   2.347  -2.547  -2.251
   36    HB3  PRO   5           2HB      PRO   5   1.024  -3.673  -2.018
   37    HG2  PRO   5           1HG      PRO   5   0.940  -0.902  -3.044
   38    HG3  PRO   5           2HG      PRO   5  -0.264  -2.166  -3.197
   39    HD2  PRO   5           1HD      PRO   5  -0.347   0.077  -1.410
   40    HD3  PRO   5           2HD      PRO   5  -1.491  -1.249  -1.482
   41    HA   PRO   6           HA       PRO   6   4.293  -0.440   1.734
   42    HB2  PRO   6           1HB      PRO   6   5.658  -2.238   3.274
   43    HB3  PRO   6           2HB      PRO   6   4.261  -1.350   3.848
   44    HG2  PRO   6           1HG      PRO   6   4.451  -4.188   3.039
   45    HG3  PRO   6           2HG      PRO   6   3.213  -3.400   3.997
   46    HD2  PRO   6           1HD      PRO   6   3.017  -4.174   1.243
   47    HD3  PRO   6           2HD      PRO   6   1.825  -3.283   2.169
   48    H    ARG   7           H        ARG   7   6.353   0.224   1.191
   49    HA   ARG   7           HA       ARG   7   7.374  -1.355  -0.969
   50    HE   ARG   7           HE       ARG   7  11.181   1.248  -2.482
   51    HB2  ARG   7           1HB      ARG   7   7.330   1.411  -0.317
   52    HB3  ARG   7           2HB      ARG   7   9.020   0.958  -0.218
   53    HG2  ARG   7           1HG      ARG   7   7.291   0.174  -2.600
   54    HG3  ARG   7           2HG      ARG   7   8.121   1.715  -2.534
   55    HD2  ARG   7           1HD      ARG   7   9.868  -0.584  -1.847
   56    HD3  ARG   7           2HD      ARG   7   9.222  -0.667  -3.474
   57   HH11  ARG   7          2HH2      ARG   7   8.625   0.786  -4.892
   58   HH12  ARG   7          1HH2      ARG   7   9.271   1.966  -5.984
   59   HH21  ARG   7          2HH1      ARG   7  11.274   3.140  -5.393
  Start of MODEL   12
    1    HA   ALA   1           HA       ALA   1  -8.847   2.499  -1.948
    2    H1   ALA   1           1H       ALA   1  -8.322   4.818  -1.481
    3    HB1  ALA   1           3HB      ALA   1  -6.341   3.801  -2.251
    4    HB2  ALA   1           1HB      ALA   1  -5.984   2.123  -1.777
    5    HB3  ALA   1           2HB      ALA   1  -6.990   2.448  -3.209
    6    H    THR   2           H        THR   2  -6.865   0.434  -1.365
    7    HA   THR   2           HA       THR   2  -6.912   0.083   1.502
    8    HB   THR   2           HB       THR   2  -8.465  -1.711   1.555
    9    HG1  THR   2           HG1      THR   2  -7.920  -1.661  -1.325
   10   HG21  THR   2          3HG2      THR   2 -10.459  -1.083   0.179
   11   HG22  THR   2          1HG2      THR   2  -9.760   0.347   0.975
   12   HG23  THR   2          2HG2      THR   2  -9.450   0.050  -0.753
   13    H    TRP   3           H        TRP   3  -5.934  -2.156   2.060
   14    HA   TRP   3           HA       TRP   3  -4.049  -3.332   2.017
   15    HD1  TRP   3           HD1      TRP   3  -4.152  -4.389  -2.775
   16    HE1  TRP   3           HE1      TRP   3  -1.744  -5.115  -3.573
   17    HE3  TRP   3           HE3      TRP   3  -2.106  -4.601   1.874
   18    HZ2  TRP   3           HZ2      TRP   3   0.693  -5.685  -2.199
   19    HZ3  TRP   3           HZ3      TRP   3   0.294  -5.252   2.058
   20    HH2  TRP   3           HH2      TRP   3   1.682  -5.782   0.118
   21    HB2  TRP   3           1HB      TRP   3  -4.872  -4.925   0.671
   22    HB3  TRP   3           2HB      TRP   3  -5.388  -3.791  -0.561
   23    H    LEU   4           H        LEU   4  -2.673  -1.502   2.527
   24    HA   LEU   4           HA       LEU   4  -1.471  -0.134   0.265
   25    HG   LEU   4           HG       LEU   4  -2.697   0.088   3.753
   26    HB2  LEU   4           1HB      LEU   4  -0.482   0.500   2.940
   27    HB3  LEU   4           2HB      LEU   4  -1.068   1.550   1.666
   28   HD11  LEU   4          1HD1      LEU   4  -1.710   2.827   3.399
   29   HD12  LEU   4          2HD1      LEU   4  -3.453   2.728   3.748
   30   HD13  LEU   4          3HD1      LEU   4  -2.280   1.984   4.859
   31   HD21  LEU   4          3HD2      LEU   4  -3.496   0.616   1.095
   32   HD22  LEU   4          1HD2      LEU   4  -4.501   0.088   2.465
   33   HD23  LEU   4          2HD2      LEU   4  -4.304   1.824   2.123
   34    HA   PRO   5           HA       PRO   5   1.763  -3.082   0.450
   35    HB2  PRO   5           1HB      PRO   5   2.963  -2.391  -1.906
   36    HB3  PRO   5           2HB      PRO   5   1.637  -3.533  -1.804
   37    HG2  PRO   5           1HG      PRO   5   1.601  -0.731  -2.747
   38    HG3  PRO   5           2HG      PRO   5   0.424  -1.997  -3.026
   39    HD2  PRO   5           1HD      PRO   5   0.190   0.186  -1.181
   40    HD3  PRO   5           2HD      PRO   5  -0.933  -1.145  -1.378
   41    HA   PRO   6           HA       PRO   6   4.594  -0.399   2.275
   42    HB2  PRO   6           1HB      PRO   6   5.860  -2.235   3.853
   43    HB3  PRO   6           2HB      PRO   6   4.416  -1.378   4.352
   44    HG2  PRO   6           1HG      PRO   6   4.692  -4.185   3.469
   45    HG3  PRO   6           2HG      PRO   6   3.380  -3.438   4.360
   46    HD2  PRO   6           1HD      PRO   6   3.392  -4.124   1.575
   47    HD3  PRO   6           2HD      PRO   6   2.128  -3.272   2.439
   48    H    ARG   7           H        ARG   7   6.175   0.458   1.096
   49    HA   ARG   7           HA       ARG   7   7.646  -1.359  -0.520
   50    HE   ARG   7           HE       ARG   7   4.998   1.567  -3.138
   51    HB2  ARG   7           1HB      ARG   7   7.079   1.478  -0.478
   52    HB3  ARG   7           2HB      ARG   7   8.819   1.283  -0.519
   53    HG2  ARG   7           1HG      ARG   7   8.108   1.313  -2.814
   54    HG3  ARG   7           2HG      ARG   7   8.504  -0.357  -2.458
   55    HD2  ARG   7           1HD      ARG   7   6.418  -0.932  -3.148
   56    HD3  ARG   7           2HD      ARG   7   5.778  -0.118  -1.735
   57   HH11  ARG   7          2HH2      ARG   7   7.724  -0.025  -4.746
   58   HH12  ARG   7          1HH2      ARG   7   7.574   0.908  -6.198
   59   HH21  ARG   7          2HH1      ARG   7   5.848   2.563  -6.356
  Start of MODEL   13
    1    HA   ALA   1           HA       ALA   1  -8.659   2.858  -1.628
    2    H1   ALA   1           1H       ALA   1  -6.798   4.161  -1.827
    3    HB1  ALA   1           3HB      ALA   1  -7.119   2.558  -3.917
    4    HB2  ALA   1           1HB      ALA   1  -7.482   0.877  -3.459
    5    HB3  ALA   1           2HB      ALA   1  -8.808   2.032  -3.727
    6    H    THR   2           H        THR   2  -7.187   2.300   0.657
    7    HA   THR   2           HA       THR   2  -6.877   0.768   2.239
    8    HB   THR   2           HB       THR   2  -8.670  -0.741   2.493
    9    HG1  THR   2           HG1      THR   2  -9.546  -1.704   0.401
   10   HG21  THR   2          3HG2      THR   2  -9.889   0.618   0.080
   11   HG22  THR   2          1HG2      THR   2 -10.624   0.277   1.665
   12   HG23  THR   2          2HG2      THR   2  -9.468   1.620   1.490
   13    H    TRP   3           H        TRP   3  -6.177  -1.601   2.711
   14    HA   TRP   3           HA       TRP   3  -4.468  -3.008   2.491
   15    HD1  TRP   3           HD1      TRP   3  -5.256  -4.074  -2.236
   16    HE1  TRP   3           HE1      TRP   3  -3.074  -5.127  -3.280
   17    HE3  TRP   3           HE3      TRP   3  -2.742  -4.532   2.160
   18    HZ2  TRP   3           HZ2      TRP   3  -0.597  -6.014  -2.175
   19    HZ3  TRP   3           HZ3      TRP   3  -0.447  -5.500   2.089
   20    HH2  TRP   3           HH2      TRP   3   0.629  -6.229   0.018
   21    HB2  TRP   3           1HB      TRP   3  -5.645  -4.484   1.282
   22    HB3  TRP   3           2HB      TRP   3  -6.140  -3.298   0.090
   23    H    LEU   4           H        LEU   4  -2.810  -1.378   2.804
   24    HA   LEU   4           HA       LEU   4  -1.699  -0.203   0.392
   25    HG   LEU   4           HG       LEU   4  -2.480   0.207   3.988
   26    HB2  LEU   4           1HB      LEU   4  -0.337   0.308   2.926
   27    HB3  LEU   4           2HB      LEU   4  -0.917   1.420   1.701
   28   HD11  LEU   4          1HD1      LEU   4  -2.767   2.486   4.723
   29   HD12  LEU   4          2HD1      LEU   4  -1.034   2.159   4.482
   30   HD13  LEU   4          3HD1      LEU   4  -1.938   3.101   3.273
   31   HD21  LEU   4          3HD2      LEU   4  -4.003   2.139   2.493
   32   HD22  LEU   4          1HD2      LEU   4  -3.502   0.802   1.431
   33   HD23  LEU   4          2HD2      LEU   4  -4.409   0.460   2.924
   34    HA   PRO   5           HA       PRO   5   1.108  -3.563   0.280
   35    HB2  PRO   5           1HB      PRO   5   2.114  -3.057  -2.210
   36    HB3  PRO   5           2HB      PRO   5   0.668  -4.007  -1.936
   37    HG2  PRO   5           1HG      PRO   5   0.903  -1.233  -2.930
   38    HG3  PRO   5           2HG      PRO   5  -0.459  -2.329  -3.048
   39    HD2  PRO   5           1HD      PRO   5  -0.185  -0.122  -1.237
   40    HD3  PRO   5           2HD      PRO   5  -1.492  -1.288  -1.278
   41    HA   PRO   6           HA       PRO   6   4.657  -1.635   1.618
   42    HB2  PRO   6           1HB      PRO   6   6.251  -3.816   2.025
   43    HB3  PRO   6           2HB      PRO   6   5.068  -3.263   3.193
   44    HG2  PRO   6           1HG      PRO   6   4.930  -5.590   1.374
   45    HG3  PRO   6           2HG      PRO   6   3.985  -5.264   2.813
   46    HD2  PRO   6           1HD      PRO   6   3.124  -4.972   0.094
   47    HD3  PRO   6           2HD      PRO   6   2.221  -4.537   1.531
   48    H    ARG   7           H        ARG   7   6.625  -0.788   0.935
   49    HA   ARG   7           HA       ARG   7   6.982  -1.270  -1.849
   50    HE   ARG   7           HE       ARG   7  10.684   1.478  -2.533
   51    HB2  ARG   7           1HB      ARG   7   7.584   0.840   0.034
   52    HB3  ARG   7           2HB      ARG   7   9.086   0.383  -0.746
   53    HG2  ARG   7           1HG      ARG   7   6.661   0.714  -2.504
   54    HG3  ARG   7           2HG      ARG   7   7.379   2.170  -1.841
   55    HD2  ARG   7           1HD      ARG   7   9.014   0.049  -3.308
   56    HD3  ARG   7           2HD      ARG   7   8.284   1.415  -4.128
   57   HH11  ARG   7          2HH2      ARG   7   7.823   3.430  -3.280
   58   HH12  ARG   7          1HH2      ARG   7   8.609   4.936  -2.943
   59   HH21  ARG   7          2HH1      ARG   7  10.901   4.933  -2.245
  Start of MODEL   14
    1    HA   ALA   1           HA       ALA   1  -9.501   2.251  -1.120
    2    H1   ALA   1           1H       ALA   1  -6.610   2.385  -1.340
    3    HB1  ALA   1           3HB      ALA   1  -8.800   2.076  -3.588
    4    HB2  ALA   1           1HB      ALA   1  -8.043   0.527  -3.146
    5    HB3  ALA   1           2HB      ALA   1  -9.797   0.750  -2.940
    6    H    THR   2           H        THR   2  -7.654   2.009   0.936
    7    HA   THR   2           HA       THR   2  -6.964   0.645   2.552
    8    HB   THR   2           HB       THR   2  -8.549  -0.977   3.194
    9    HG1  THR   2           HG1      THR   2  -8.359  -2.556   1.605
   10   HG21  THR   2          3HG2      THR   2 -10.736  -0.293   2.494
   11   HG22  THR   2          1HG2      THR   2  -9.755   1.183   2.319
   12   HG23  THR   2          2HG2      THR   2 -10.152   0.204   0.887
   13    H    TRP   3           H        TRP   3  -5.982  -1.610   3.071
   14    HA   TRP   3           HA       TRP   3  -4.235  -2.923   2.682
   15    HD1  TRP   3           HD1      TRP   3  -5.515  -4.280  -1.857
   16    HE1  TRP   3           HE1      TRP   3  -3.402  -5.217  -3.128
   17    HE3  TRP   3           HE3      TRP   3  -2.445  -4.326   2.196
   18    HZ2  TRP   3           HZ2      TRP   3  -0.742  -5.858  -2.315
   19    HZ3  TRP   3           HZ3      TRP   3  -0.105  -5.122   1.871
   20    HH2  TRP   3           HH2      TRP   3   0.759  -5.871  -0.289
   21    HB2  TRP   3           1HB      TRP   3  -5.429  -4.541   1.694
   22    HB3  TRP   3           2HB      TRP   3  -6.163  -3.457   0.529
   23    H    LEU   4           H        LEU   4  -2.686  -1.159   2.715
   24    HA   LEU   4           HA       LEU   4  -1.984  -0.026   0.136
   25    HG   LEU   4           HG       LEU   4  -2.342   0.504   3.783
   26    HB2  LEU   4           1HB      LEU   4  -0.363   0.712   2.452
   27    HB3  LEU   4           2HB      LEU   4  -1.179   1.715   1.268
   28   HD11  LEU   4          1HD1      LEU   4  -2.400   2.615   4.658
   29   HD12  LEU   4          2HD1      LEU   4  -0.950   2.746   3.633
   30   HD13  LEU   4          3HD1      LEU   4  -2.505   3.400   3.063
   31   HD21  LEU   4          3HD2      LEU   4  -3.704   1.342   1.306
   32   HD22  LEU   4          1HD2      LEU   4  -4.256   0.289   2.630
   33   HD23  LEU   4          2HD2      LEU   4  -4.352   2.058   2.802
   34    HA   PRO   5           HA       PRO   5   1.051  -3.166  -0.199
   35    HB2  PRO   5           1HB      PRO   5   1.696  -2.712  -2.816
   36    HB3  PRO   5           2HB      PRO   5   0.375  -3.754  -2.320
   37    HG2  PRO   5           1HG      PRO   5   0.260  -1.023  -3.448
   38    HG3  PRO   5           2HG      PRO   5  -1.013  -2.224  -3.347
   39    HD2  PRO   5           1HD      PRO   5  -0.696   0.086  -1.676
   40    HD3  PRO   5           2HD      PRO   5  -1.899  -1.176  -1.502
   41    HA   PRO   6           HA       PRO   6   4.571  -0.911   0.594
   42    HB2  PRO   6           1HB      PRO   6   6.375  -2.944   0.882
   43    HB3  PRO   6           2HB      PRO   6   5.305  -2.423   2.167
   44    HG2  PRO   6           1HG      PRO   6   5.132  -4.842   0.477
   45    HG3  PRO   6           2HG      PRO   6   4.350  -4.517   2.012
   46    HD2  PRO   6           1HD      PRO   6   3.136  -4.427  -0.585
   47    HD3  PRO   6           2HD      PRO   6   2.387  -3.990   0.938
   48    H    ARG   7           H        ARG   7   5.710   0.366  -0.710
   49    HA   ARG   7           HA       ARG   7   6.509   1.006  -2.644
   50    HE   ARG   7           HE       ARG   7   9.460   0.375   0.535
   51    HB2  ARG   7           1HB      ARG   7   8.239  -0.975  -1.437
   52    HB3  ARG   7           2HB      ARG   7   8.384  -1.128  -3.176
   53    HG2  ARG   7           1HG      ARG   7  10.017   0.507  -2.570
   54    HG3  ARG   7           2HG      ARG   7   8.695   1.429  -3.258
   55    HD2  ARG   7           1HD      ARG   7   9.070   2.650  -1.302
   56    HD3  ARG   7           2HD      ARG   7   7.837   1.541  -0.737
   57   HH11  ARG   7          2HH2      ARG   7  11.023   2.786  -1.538
   58   HH12  ARG   7          1HH2      ARG   7  12.555   2.662  -0.739
   59   HH21  ARG   7          2HH1      ARG   7  12.802   1.140   1.097
  Start of MODEL   15
    1    HA   ALA   1           HA       ALA   1  -8.519   2.588  -1.865
    2    H1   ALA   1           1H       ALA   1  -6.561   3.609  -1.203
    3    HB1  ALA   1           3HB      ALA   1  -8.582   1.980  -4.029
    4    HB2  ALA   1           1HB      ALA   1  -6.806   1.890  -4.106
    5    HB3  ALA   1           2HB      ALA   1  -7.747   0.476  -3.574
    6    H    THR   2           H        THR   2  -6.953   2.217   0.392
    7    HA   THR   2           HA       THR   2  -6.536   0.796   2.052
    8    HB   THR   2           HB       THR   2  -8.270  -0.746   2.466
    9    HG1  THR   2           HG1      THR   2  -9.205  -1.822   0.425
   10   HG21  THR   2          3HG2      THR   2 -10.309   0.088   1.556
   11   HG22  THR   2          1HG2      THR   2  -9.227   1.498   1.455
   12   HG23  THR   2          2HG2      THR   2  -9.544   0.514   0.006
   13    H    TRP   3           H        TRP   3  -5.746  -1.517   2.641
   14    HA   TRP   3           HA       TRP   3  -4.037  -2.920   2.439
   15    HD1  TRP   3           HD1      TRP   3  -4.808  -4.126  -2.255
   16    HE1  TRP   3           HE1      TRP   3  -2.603  -5.158  -3.275
   17    HE3  TRP   3           HE3      TRP   3  -2.278  -4.412   2.147
   18    HZ2  TRP   3           HZ2      TRP   3  -0.106  -5.960  -2.152
   19    HZ3  TRP   3           HZ3      TRP   3   0.038  -5.331   2.097
   20    HH2  TRP   3           HH2      TRP   3   1.127  -6.091   0.044
   21    HB2  TRP   3           1HB      TRP   3  -5.183  -4.453   1.272
   22    HB3  TRP   3           2HB      TRP   3  -5.706  -3.310   0.051
   23    H    LEU   4           H        LEU   4  -2.415  -1.246   2.707
   24    HA   LEU   4           HA       LEU   4  -1.335  -0.109   0.263
   25    HG   LEU   4           HG       LEU   4  -2.120   0.378   3.848
   26    HB2  LEU   4           1HB      LEU   4   0.019   0.499   2.779
   27    HB3  LEU   4           2HB      LEU   4  -0.588   1.565   1.528
   28   HD11  LEU   4          1HD1      LEU   4  -0.745   2.858   3.403
   29   HD12  LEU   4          2HD1      LEU   4  -2.485   3.171   3.606
   30   HD13  LEU   4          3HD1      LEU   4  -1.589   2.278   4.858
   31   HD21  LEU   4          3HD2      LEU   4  -3.155   0.898   1.274
   32   HD22  LEU   4          1HD2      LEU   4  -4.050   0.546   2.771
   33   HD23  LEU   4          2HD2      LEU   4  -3.696   2.231   2.321
   34    HA   PRO   5           HA       PRO   5   1.548  -3.407   0.234
   35    HB2  PRO   5           1HB      PRO   5   2.539  -2.946  -2.271
   36    HB3  PRO   5           2HB      PRO   5   1.114  -3.920  -1.968
   37    HG2  PRO   5           1HG      PRO   5   1.285  -1.169  -3.037
   38    HG3  PRO   5           2HG      PRO   5  -0.052  -2.299  -3.123
   39    HD2  PRO   5           1HD      PRO   5   0.175  -0.038  -1.371
   40    HD3  PRO   5           2HD      PRO   5  -1.106  -1.235  -1.378
   41    HA   PRO   6           HA       PRO   6   5.054  -1.363   1.512
   42    HB2  PRO   6           1HB      PRO   6   6.699  -3.497   1.973
   43    HB3  PRO   6           2HB      PRO   6   5.505  -2.939   3.128
   44    HG2  PRO   6           1HG      PRO   6   5.416  -5.317   1.374
   45    HG3  PRO   6           2HG      PRO   6   4.467  -4.974   2.806
   46    HD2  PRO   6           1HD      PRO   6   3.595  -4.774   0.081
   47    HD3  PRO   6           2HD      PRO   6   2.685  -4.321   1.509
   48    H    ARG   7           H        ARG   7   7.071  -0.560   0.847
   49    HA   ARG   7           HA       ARG   7   7.366  -0.893  -1.936
   50    HE   ARG   7           HE       ARG   7   5.178   0.588  -0.816
   51    HB2  ARG   7           1HB      ARG   7   8.522   0.806   0.214
   52    HB3  ARG   7           2HB      ARG   7   9.657   0.444  -1.071
   53    HG2  ARG   7           1HG      ARG   7   8.620   2.363  -1.924
   54    HG3  ARG   7           2HG      ARG   7   7.662   1.105  -2.680
   55    HD2  ARG   7           1HD      ARG   7   6.781   2.095   0.032
   56    HD3  ARG   7           2HD      ARG   7   6.518   3.149  -1.343
   57   HH11  ARG   7          2HH2      ARG   7   5.957   3.012  -3.280
   58   HH12  ARG   7          1HH2      ARG   7   4.654   2.549  -4.324
   59   HH21  ARG   7          2HH1      ARG   7   3.198   0.763  -3.664
  Start of MODEL   16
    1    HA   ALA   1           HA       ALA   1  -9.988   1.502  -1.033
    2    H1   ALA   1           1H       ALA   1  -7.408   2.360  -1.996
    3    HB1  ALA   1           3HB      ALA   1 -10.162   0.498  -3.069
    4    HB2  ALA   1           1HB      ALA   1  -8.797   1.560  -3.490
    5    HB3  ALA   1           2HB      ALA   1  -8.497  -0.128  -3.017
    6    H    THR   2           H        THR   2  -8.186   1.364   1.069
    7    HA   THR   2           HA       THR   2  -7.345  -0.010   2.602
    8    HB   THR   2           HB       THR   2  -8.688  -1.894   3.055
    9    HG1  THR   2           HG1      THR   2  -8.150  -3.258   1.329
   10   HG21  THR   2          3HG2      THR   2 -10.886  -1.324   2.530
   11   HG22  THR   2          1HG2      THR   2 -10.108   0.205   2.055
   12   HG23  THR   2          2HG2      THR   2 -10.500  -1.015   0.820
   13    H    TRP   3           H        TRP   3  -6.052  -2.132   2.987
   14    HA   TRP   3           HA       TRP   3  -4.104  -3.115   2.572
   15    HD1  TRP   3           HD1      TRP   3  -5.089  -4.372  -2.069
   16    HE1  TRP   3           HE1      TRP   3  -2.835  -4.892  -3.341
   17    HE3  TRP   3           HE3      TRP   3  -2.111  -4.194   2.049
   18    HZ2  TRP   3           HZ2      TRP   3  -0.122  -5.165  -2.501
   19    HZ3  TRP   3           HZ3      TRP   3   0.329  -4.598   1.737
   20    HH2  TRP   3           HH2      TRP   3   1.332  -5.071  -0.442
   21    HB2  TRP   3           1HB      TRP   3  -5.017  -4.834   1.462
   22    HB3  TRP   3           2HB      TRP   3  -5.893  -3.807   0.344
   23    H    LEU   4           H        LEU   4  -2.849  -1.140   2.746
   24    HA   LEU   4           HA       LEU   4  -2.291   0.245   0.256
   25    HG   LEU   4           HG       LEU   4  -2.784   0.488   3.917
   26    HB2  LEU   4           1HB      LEU   4  -0.840   1.080   2.649
   27    HB3  LEU   4           2HB      LEU   4  -1.784   2.015   1.507
   28   HD11  LEU   4          1HD1      LEU   4  -3.780   3.087   3.932
   29   HD12  LEU   4          2HD1      LEU   4  -2.438   2.448   4.911
   30   HD13  LEU   4          3HD1      LEU   4  -2.103   3.259   3.363
   31   HD21  LEU   4          3HD2      LEU   4  -4.872   1.986   2.646
   32   HD22  LEU   4          1HD2      LEU   4  -4.168   0.846   1.474
   33   HD23  LEU   4          2HD2      LEU   4  -4.798   0.248   3.026
   34    HA   PRO   5           HA       PRO   5   1.199  -2.364  -0.186
   35    HB2  PRO   5           1HB      PRO   5   1.806  -1.657  -2.756
   36    HB3  PRO   5           2HB      PRO   5   0.655  -2.916  -2.355
   37    HG2  PRO   5           1HG      PRO   5   0.135  -0.172  -3.323
   38    HG3  PRO   5           2HG      PRO   5  -0.937  -1.558  -3.324
   39    HD2  PRO   5           1HD      PRO   5  -1.009   0.665  -1.514
   40    HD3  PRO   5           2HD      PRO   5  -2.004  -0.776  -1.444
   41    HA   PRO   6           HA       PRO   6   4.313   0.353   0.824
   42    HB2  PRO   6           1HB      PRO   6   6.406  -1.391   1.038
   43    HB3  PRO   6           2HB      PRO   6   5.248  -1.122   2.326
   44    HG2  PRO   6           1HG      PRO   6   5.478  -3.430   0.494
   45    HG3  PRO   6           2HG      PRO   6   4.631  -3.323   2.025
   46    HD2  PRO   6           1HD      PRO   6   3.459  -3.264  -0.593
   47    HD3  PRO   6           2HD      PRO   6   2.627  -3.040   0.934
   48    H    ARG   7           H        ARG   7   6.281   1.395   0.089
   49    HA   ARG   7           HA       ARG   7   7.485   2.223  -1.502
   50    HE   ARG   7           HE       ARG   7   9.630  -2.249  -0.643
   51    HB2  ARG   7           1HB      ARG   7   7.560  -0.682  -2.022
   52    HB3  ARG   7           2HB      ARG   7   7.844   0.243  -3.482
   53    HG2  ARG   7           1HG      ARG   7  10.015   0.215  -2.692
   54    HG3  ARG   7           2HG      ARG   7   9.465   1.646  -1.844
   55    HD2  ARG   7           1HD      ARG   7  10.290   0.503  -0.012
   56    HD3  ARG   7           2HD      ARG   7   8.687  -0.205  -0.021
   57   HH11  ARG   7          2HH2      ARG   7  11.935   0.330  -1.413
   58   HH12  ARG   7          1HH2      ARG   7  13.195  -0.764  -1.875
   59   HH21  ARG   7          2HH1      ARG   7  12.796  -3.126  -1.773
  Start of MODEL   17
    1    HA   ALA   1           HA       ALA   1  -9.823   1.655  -1.527
    2    H1   ALA   1           1H       ALA   1  -7.781   2.740  -0.759
    3    HB1  ALA   1           3HB      ALA   1  -9.898   0.485  -3.505
    4    HB2  ALA   1           1HB      ALA   1  -8.601   1.630  -3.920
    5    HB3  ALA   1           2HB      ALA   1  -8.195  -0.022  -3.397
    6    H    THR   2           H        THR   2  -8.156   1.517   0.681
    7    HA   THR   2           HA       THR   2  -7.459   0.163   2.302
    8    HB   THR   2           HB       THR   2  -8.895  -1.658   2.727
    9    HG1  THR   2           HG1      THR   2  -9.138  -3.194   1.108
   10   HG21  THR   2          3HG2      THR   2 -10.257   0.397   1.814
   11   HG22  THR   2          1HG2      THR   2 -10.417  -0.564   0.326
   12   HG23  THR   2          2HG2      THR   2 -11.074  -1.183   1.860
   13    H    TRP   3           H        TRP   3  -6.272  -1.993   2.824
   14    HA   TRP   3           HA       TRP   3  -4.354  -3.077   2.553
   15    HD1  TRP   3           HD1      TRP   3  -5.059  -4.353  -2.134
   16    HE1  TRP   3           HE1      TRP   3  -2.746  -4.984  -3.235
   17    HE3  TRP   3           HE3      TRP   3  -2.377  -4.244   2.185
   18    HZ2  TRP   3           HZ2      TRP   3  -0.113  -5.358  -2.200
   19    HZ3  TRP   3           HZ3      TRP   3   0.059  -4.754   2.052
   20    HH2  TRP   3           HH2      TRP   3   1.194  -5.297  -0.045
   21    HB2  TRP   3           1HB      TRP   3  -5.259  -4.771   1.398
   22    HB3  TRP   3           2HB      TRP   3  -6.008  -3.723   0.210
   23    H    LEU   4           H        LEU   4  -3.032  -1.154   2.796
   24    HA   LEU   4           HA       LEU   4  -2.240   0.174   0.337
   25    HG   LEU   4           HG       LEU   4  -2.981   0.486   3.952
   26    HB2  LEU   4           1HB      LEU   4  -0.930   0.980   2.820
   27    HB3  LEU   4           2HB      LEU   4  -1.749   1.938   1.603
   28   HD11  LEU   4          1HD1      LEU   4  -2.248   2.505   4.770
   29   HD12  LEU   4          2HD1      LEU   4  -2.493   3.352   3.225
   30   HD13  LEU   4          3HD1      LEU   4  -3.893   2.928   4.240
   31   HD21  LEU   4          3HD2      LEU   4  -4.172   0.839   1.419
   32   HD22  LEU   4          1HD2      LEU   4  -4.948   0.340   2.941
   33   HD23  LEU   4          2HD2      LEU   4  -4.895   2.061   2.493
   34    HA   PRO   5           HA       PRO   5   1.158  -2.584   0.172
   35    HB2  PRO   5           1HB      PRO   5   1.974  -1.936  -2.354
   36    HB3  PRO   5           2HB      PRO   5   0.746  -3.142  -2.023
   37    HG2  PRO   5           1HG      PRO   5   0.413  -0.392  -3.055
   38    HG3  PRO   5           2HG      PRO   5  -0.714  -1.732  -3.119
   39    HD2  PRO   5           1HD      PRO   5  -0.819   0.517  -1.340
   40    HD3  PRO   5           2HD      PRO   5  -1.878  -0.880  -1.327
   41    HA   PRO   6           HA       PRO   6   4.306   0.015   1.374
   42    HB2  PRO   6           1HB      PRO   6   6.303  -1.812   1.753
   43    HB3  PRO   6           2HB      PRO   6   5.069  -1.477   2.953
   44    HG2  PRO   6           1HG      PRO   6   5.330  -3.817   1.165
   45    HG3  PRO   6           2HG      PRO   6   4.383  -3.655   2.631
   46    HD2  PRO   6           1HD      PRO   6   3.402  -3.581  -0.064
   47    HD3  PRO   6           2HD      PRO   6   2.475  -3.303   1.397
   48    H    ARG   7           H        ARG   7   6.276   1.043   0.731
   49    HA   ARG   7           HA       ARG   7   7.531   1.870  -0.825
   50    HE   ARG   7           HE       ARG   7   9.829   0.333  -4.188
   51    HB2  ARG   7           1HB      ARG   7   7.970  -1.002  -0.892
   52    HB3  ARG   7           2HB      ARG   7   8.157  -0.373  -2.517
   53    HG2  ARG   7           1HG      ARG   7   9.474   1.105  -0.231
   54    HG3  ARG   7           2HG      ARG   7  10.210  -0.377  -0.808
   55    HD2  ARG   7           1HD      ARG   7   9.504   2.008  -2.588
   56    HD3  ARG   7           2HD      ARG   7  11.105   1.684  -1.954
   57   HH11  ARG   7          2HH2      ARG   7  12.174  -0.133  -1.573
   58   HH12  ARG   7          1HH2      ARG   7  13.026  -1.397  -2.395
   59   HH21  ARG   7          2HH1      ARG   7  12.292  -2.087  -4.570
  Start of MODEL   18
    1    HA   ALA   1           HA       ALA   1  -8.546   2.865  -1.642
    2    H1   ALA   1           1H       ALA   1  -6.495   3.893  -2.493
    3    HB1  ALA   1           3HB      ALA   1  -7.464   2.538  -4.045
    4    HB2  ALA   1           1HB      ALA   1  -7.289   0.855  -3.493
    5    HB3  ALA   1           2HB      ALA   1  -8.901   1.608  -3.557
    6    H    THR   2           H        THR   2  -6.922   2.421   0.559
    7    HA   THR   2           HA       THR   2  -6.525   0.991   2.215
    8    HB   THR   2           HB       THR   2  -8.325  -0.452   2.704
    9    HG1  THR   2           HG1      THR   2  -9.395  -1.475   0.696
   10   HG21  THR   2          3HG2      THR   2  -9.586   0.896   0.279
   11   HG22  THR   2          1HG2      THR   2 -10.357   0.464   1.824
   12   HG23  THR   2          2HG2      THR   2  -9.212   1.826   1.751
   13    H    TRP   3           H        TRP   3  -5.842  -1.359   2.796
   14    HA   TRP   3           HA       TRP   3  -4.222  -2.856   2.545
   15    HD1  TRP   3           HD1      TRP   3  -5.232  -4.050  -2.107
   16    HE1  TRP   3           HE1      TRP   3  -3.127  -5.208  -3.200
   17    HE3  TRP   3           HE3      TRP   3  -2.559  -4.446   2.200
   18    HZ2  TRP   3           HZ2      TRP   3  -0.636  -6.138  -2.162
   19    HZ3  TRP   3           HZ3      TRP   3  -0.300  -5.490   2.073
   20    HH2  TRP   3           HH2      TRP   3   0.668  -6.322  -0.012
   21    HB2  TRP   3           1HB      TRP   3  -5.491  -4.331   1.434
   22    HB3  TRP   3           2HB      TRP   3  -5.997  -3.170   0.223
   23    H    LEU   4           H        LEU   4  -2.501  -1.271   2.738
   24    HA   LEU   4           HA       LEU   4  -1.451  -0.213   0.246
   25    HG   LEU   4           HG       LEU   4  -2.075   0.341   3.853
   26    HB2  LEU   4           1HB      LEU   4   0.027   0.335   2.705
   27    HB3  LEU   4           2HB      LEU   4  -0.567   1.425   1.467
   28   HD11  LEU   4          1HD1      LEU   4  -2.414   2.969   4.011
   29   HD12  LEU   4          2HD1      LEU   4  -0.969   2.160   4.666
   30   HD13  LEU   4          3HD1      LEU   4  -0.895   2.971   3.083
   31   HD21  LEU   4          3HD2      LEU   4  -3.177   0.888   1.317
   32   HD22  LEU   4          1HD2      LEU   4  -4.034   0.618   2.854
   33   HD23  LEU   4          2HD2      LEU   4  -3.597   2.270   2.357
   34    HA   PRO   5           HA       PRO   5   1.242  -3.666   0.139
   35    HB2  PRO   5           1HB      PRO   5   2.164  -3.276  -2.404
   36    HB3  PRO   5           2HB      PRO   5   0.699  -4.168  -2.041
   37    HG2  PRO   5           1HG      PRO   5   0.982  -1.438  -3.138
   38    HG3  PRO   5           2HG      PRO   5  -0.418  -2.492  -3.166
   39    HD2  PRO   5           1HD      PRO   5  -0.002  -0.236  -1.444
   40    HD3  PRO   5           2HD      PRO   5  -1.346  -1.360  -1.393
   41    HA   PRO   6           HA       PRO   6   4.901  -1.812   1.271
   42    HB2  PRO   6           1HB      PRO   6   6.441  -4.031   1.689
   43    HB3  PRO   6           2HB      PRO   6   5.323  -3.399   2.882
   44    HG2  PRO   6           1HG      PRO   6   5.039  -5.779   1.151
   45    HG3  PRO   6           2HG      PRO   6   4.164  -5.376   2.615
   46    HD2  PRO   6           1HD      PRO   6   3.204  -5.146  -0.078
   47    HD3  PRO   6           2HD      PRO   6   2.373  -4.634   1.378
   48    H    ARG   7           H        ARG   7   6.974  -1.173   0.551
   49    HA   ARG   7           HA       ARG   7   7.160  -1.674  -2.255
   50    HE   ARG   7           HE       ARG   7   7.330   2.591   0.098
   51    HB2  ARG   7           1HB      ARG   7   8.203   0.312  -0.318
   52    HB3  ARG   7           2HB      ARG   7   9.399  -0.148  -1.513
   53    HG2  ARG   7           1HG      ARG   7   8.385   1.410  -2.842
   54    HG3  ARG   7           2HG      ARG   7   7.175   0.171  -3.116
   55    HD2  ARG   7           1HD      ARG   7   5.945   2.121  -2.445
   56    HD3  ARG   7           2HD      ARG   7   5.942   1.070  -1.042
   57   HH11  ARG   7          2HH2      ARG   7   7.201   3.455  -3.336
   58   HH12  ARG   7          1HH2      ARG   7   7.993   4.978  -3.110
   59   HH21  ARG   7          2HH1      ARG   7   8.676   5.632  -0.908
  Start of MODEL   19
    1    HA   ALA   1           HA       ALA   1  -8.141   2.968  -1.928
    2    H1   ALA   1           1H       ALA   1  -5.954   4.070  -2.322
    3    HB1  ALA   1           3HB      ALA   1  -8.049   2.295  -4.076
    4    HB2  ALA   1           1HB      ALA   1  -6.317   2.701  -4.036
    5    HB3  ALA   1           2HB      ALA   1  -6.849   1.036  -3.701
    6    H    THR   2           H        THR   2  -6.974   2.318   0.483
    7    HA   THR   2           HA       THR   2  -6.810   0.722   2.025
    8    HB   THR   2           HB       THR   2  -8.634  -0.769   2.037
    9    HG1  THR   2           HG1      THR   2  -8.450  -0.817  -0.882
   10   HG21  THR   2          3HG2      THR   2 -10.500   0.190   0.844
   11   HG22  THR   2          1HG2      THR   2  -9.429   1.564   1.212
   12   HG23  THR   2          2HG2      THR   2  -9.438   0.854  -0.420
   13    H    TRP   3           H        TRP   3  -6.182  -1.673   2.472
   14    HA   TRP   3           HA       TRP   3  -4.443  -3.062   2.381
   15    HD1  TRP   3           HD1      TRP   3  -4.871  -4.074  -2.402
   16    HE1  TRP   3           HE1      TRP   3  -2.619  -5.126  -3.288
   17    HE3  TRP   3           HE3      TRP   3  -2.702  -4.590   2.168
   18    HZ2  TRP   3           HZ2      TRP   3  -0.236  -6.034  -2.007
   19    HZ3  TRP   3           HZ3      TRP   3  -0.411  -5.568   2.262
   20    HH2  TRP   3           HH2      TRP   3   0.816  -6.279   0.271
   21    HB2  TRP   3           1HB      TRP   3  -5.529  -4.520   1.071
   22    HB3  TRP   3           2HB      TRP   3  -5.927  -3.319  -0.142
   23    H    LEU   4           H        LEU   4  -2.806  -1.444   2.839
   24    HA   LEU   4           HA       LEU   4  -1.512  -0.247   0.532
   25    HG   LEU   4           HG       LEU   4  -2.563   0.129   4.062
   26    HB2  LEU   4           1HB      LEU   4  -0.345   0.232   3.167
   27    HB3  LEU   4           2HB      LEU   4  -0.827   1.359   1.914
   28   HD11  LEU   4          1HD1      LEU   4  -1.454   1.958   4.981
   29   HD12  LEU   4          2HD1      LEU   4  -1.545   2.900   3.473
   30   HD13  LEU   4          3HD1      LEU   4  -3.010   2.640   4.450
   31   HD21  LEU   4          3HD2      LEU   4  -4.240   0.161   2.582
   32   HD22  LEU   4          1HD2      LEU   4  -4.182   1.929   2.771
   33   HD23  LEU   4          2HD2      LEU   4  -3.328   1.151   1.418
   34    HA   PRO   5           HA       PRO   5   1.285  -3.617   0.597
   35    HB2  PRO   5           1HB      PRO   5   2.480  -3.090  -1.803
   36    HB3  PRO   5           2HB      PRO   5   1.013  -4.036  -1.650
   37    HG2  PRO   5           1HG      PRO   5   1.332  -1.254  -2.594
   38    HG3  PRO   5           2HG      PRO   5  -0.020  -2.344  -2.827
   39    HD2  PRO   5           1HD      PRO   5   0.121  -0.156  -0.977
   40    HD3  PRO   5           2HD      PRO   5  -1.183  -1.316  -1.130
   41    HA   PRO   6           HA       PRO   6   4.728  -1.717   2.221
   42    HB2  PRO   6           1HB      PRO   6   6.280  -3.910   2.726
   43    HB3  PRO   6           2HB      PRO   6   5.012  -3.363   3.806
   44    HG2  PRO   6           1HG      PRO   6   5.006  -5.670   1.958
   45    HG3  PRO   6           2HG      PRO   6   3.955  -5.356   3.325
   46    HD2  PRO   6           1HD      PRO   6   3.304  -5.032   0.550
   47    HD3  PRO   6           2HD      PRO   6   2.296  -4.609   1.920
   48    H    ARG   7           H        ARG   7   6.093  -0.438   1.164
   49    HA   ARG   7           HA       ARG   7   7.033  -1.420  -1.326
   50    HE   ARG   7           HE       ARG   7   9.175   3.165  -2.355
   51    HB2  ARG   7           1HB      ARG   7   6.657   1.134  -0.082
   52    HB3  ARG   7           2HB      ARG   7   8.365   1.027  -0.461
   53    HG2  ARG   7           1HG      ARG   7   6.612   0.043  -2.645
   54    HG3  ARG   7           2HG      ARG   7   6.358   1.734  -2.258
   55    HD2  ARG   7           1HD      ARG   7   9.215   0.822  -2.476
   56    HD3  ARG   7           2HD      ARG   7   8.299   0.892  -3.968
   57   HH11  ARG   7          2HH2      ARG   7   6.764   2.089  -4.717
   58   HH12  ARG   7          1HH2      ARG   7   6.429   3.689  -5.290
   59   HH21  ARG   7          2HH1      ARG   7   7.598   5.548  -4.329
  Start of MODEL   20
    1    HA   ALA   1           HA       ALA   1  -8.590   2.527  -1.986
    2    H1   ALA   1           1H       ALA   1  -6.658   3.483  -1.060
    3    HB1  ALA   1           3HB      ALA   1  -6.678   1.072  -3.857
    4    HB2  ALA   1           1HB      ALA   1  -8.456   0.973  -3.875
    5    HB3  ALA   1           2HB      ALA   1  -7.646   2.504  -4.287
    6    H    THR   2           H        THR   2  -7.229   2.095   0.372
    7    HA   THR   2           HA       THR   2  -6.864   0.608   1.986
    8    HB   THR   2           HB       THR   2  -8.584  -0.988   2.207
    9    HG1  THR   2           HG1      THR   2  -8.584  -1.200  -0.710
   10   HG21  THR   2          3HG2      THR   2 -10.580  -0.216   1.094
   11   HG22  THR   2          1HG2      THR   2  -9.578   1.239   1.307
   12   HG23  THR   2          2HG2      THR   2  -9.649   0.431  -0.278
   13    H    TRP   3           H        TRP   3  -6.056  -1.713   2.523
   14    HA   TRP   3           HA       TRP   3  -4.276  -3.037   2.386
   15    HD1  TRP   3           HD1      TRP   3  -4.795  -4.172  -2.361
   16    HE1  TRP   3           HE1      TRP   3  -2.516  -5.116  -3.298
   17    HE3  TRP   3           HE3      TRP   3  -2.459  -4.470   2.146
   18    HZ2  TRP   3           HZ2      TRP   3  -0.048  -5.865  -2.077
   19    HZ3  TRP   3           HZ3      TRP   3  -0.116  -5.317   2.185
   20    HH2  TRP   3           HH2      TRP   3   1.087  -6.002   0.170
   21    HB2  TRP   3           1HB      TRP   3  -5.318  -4.580   1.139
   22    HB3  TRP   3           2HB      TRP   3  -5.821  -3.429  -0.084
   23    H    LEU   4           H        LEU   4  -2.719  -1.322   2.759
   24    HA   LEU   4           HA       LEU   4  -1.565  -0.104   0.389
   25    HG   LEU   4           HG       LEU   4  -2.526   0.287   3.943
   26    HB2  LEU   4           1HB      LEU   4  -0.346   0.494   2.975
   27    HB3  LEU   4           2HB      LEU   4  -0.928   1.566   1.718
   28   HD11  LEU   4          1HD1      LEU   4  -2.396   3.218   3.293
   29   HD12  LEU   4          2HD1      LEU   4  -2.776   2.411   4.833
   30   HD13  LEU   4          3HD1      LEU   4  -1.101   2.439   4.232
   31   HD21  LEU   4          3HD2      LEU   4  -4.099   2.119   2.397
   32   HD22  LEU   4          1HD2      LEU   4  -3.456   0.848   1.330
   33   HD23  LEU   4          2HD2      LEU   4  -4.403   0.406   2.770
   34    HA   PRO   5           HA       PRO   5   1.416  -3.312   0.430
   35    HB2  PRO   5           1HB      PRO   5   2.505  -2.770  -2.018
   36    HB3  PRO   5           2HB      PRO   5   1.098  -3.793  -1.800
   37    HG2  PRO   5           1HG      PRO   5   1.233  -1.016  -2.806
   38    HG3  PRO   5           2HG      PRO   5  -0.063  -2.184  -2.975
   39    HD2  PRO   5           1HD      PRO   5   0.014   0.045  -1.172
   40    HD3  PRO   5           2HD      PRO   5  -1.228  -1.188  -1.262
   41    HA   PRO   6           HA       PRO   6   4.796  -1.192   1.906
   42    HB2  PRO   6           1HB      PRO   6   6.482  -3.284   2.404
   43    HB3  PRO   6           2HB      PRO   6   5.220  -2.785   3.513
   44    HG2  PRO   6           1HG      PRO   6   5.284  -5.128   1.712
   45    HG3  PRO   6           2HG      PRO   6   4.260  -4.843   3.104
   46    HD2  PRO   6           1HD      PRO   6   3.509  -4.615   0.347
   47    HD3  PRO   6           2HD      PRO   6   2.521  -4.218   1.738
   48    H    ARG   7           H        ARG   7   6.997  -0.526   1.468
   49    HA   ARG   7           HA       ARG   7   7.409  -0.853  -1.357
   50    HE   ARG   7           HE       ARG   7   5.370   1.217  -2.155
   51    HB2  ARG   7           1HB      ARG   7   7.714   1.297   0.391
   52    HB3  ARG   7           2HB      ARG   7   9.373   0.770   0.185
   53    HG2  ARG   7           1HG      ARG   7   9.328   2.045  -1.712
   54    HG3  ARG   7           2HG      ARG   7   8.495   0.677  -2.424
   55    HD2  ARG   7           1HD      ARG   7   6.773   2.603  -0.902
   56    HD3  ARG   7           2HD      ARG   7   7.467   3.212  -2.392
   57   HH11  ARG   7          2HH2      ARG   7   8.077   2.228  -4.205
   58   HH12  ARG   7          1HH2      ARG   7   7.418   1.516  -5.639
   59   HH21  ARG   7          2HH1      ARG   7   5.314   0.374  -5.524