*HEADER    HORMONE                                 05-MAR-15   2N0C              
*TITLE     NMR STRUCTURE OF NEUROMEDIN C IN 10% TFE                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GASTRIN-RELEASING PEPTIDE;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 41-50;                                        
*COMPND   5 SYNONYM: GRP, NEUROMEDIN-C, GRP-10;                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    NEUROPEPTIDE, FEEDING REGULATION, HORMONE                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    17                                                                    
*AUTHOR    M.ADROVER, P.SANCHIS, B.VILANOVA, K.PAUWELS, G.MARTORELL, J.PEREZ     
*REVDAT   1   21-OCT-15 2N0C    0                                                


  6 VAL  H       6 VAL  HB      3.34
  6 VAL  H       6 VAL  QG1     4.14
  5 ALA  H       5 ALA  QB      3.30
  8 HIS  H       8 HIS  HB2     3.85
  8 HIS  H       8 HIS  HB3     3.85
  9 LEU  HA     10 MET  H       3.53
  9 LEU  H       9 LEU  HB2     3.90
  9 LEU  H       9 LEU  QD1     5.50
  9 LEU  QD1    10 MET  H       5.50
  9 LEU  H       9 LEU  HB3     3.90
  4 TRP  H       4 TRP  HB2     3.56
  4 TRP  H       4 TRP  HB3     3.56
  6 VAL  H       6 VAL  QG2     4.14
  9 LEU  H       9 LEU  QD2     5.50
  9 LEU  QD2    10 MET  H       5.50
  4 TRP  H       4 TRP  HD1     4.32
  6 VAL  QG1     7 GLY  H       4.35
  5 ALA  QB      6 VAL  H       3.86
  8 HIS  HA      9 LEU  H       3.07
  7 GLY  QA      8 HIS  H       3.29
  5 ALA  HA      6 VAL  H       2.82
  3 HIS  HA      4 TRP  H       2.95
  6 VAL  HA      7 GLY  H       2.80
  2 ASN  QB      3 HIS  H       4.98
  3 HIS  HB3     4 TRP  H       4.66
  4 TRP  HB2     5 ALA  H       3.99
  4 TRP  HB3     5 ALA  H       3.99
  5 ALA  QB      8 HIS  HE1     5.26
  5 ALA  HA      8 HIS  HE1     5.07
  7 GLY  H       8 HIS  HA      5.50
  8 HIS  HA      8 HIS  HE1     5.50
  8 HIS  HB2     9 LEU  H       4.80
  8 HIS  HB3     9 LEU  H       4.80
  3 HIS  H       4 TRP  H       4.11
  4 TRP  H       4 TRP  HE3     4.95
  4 TRP  HD1     5 ALA  H       5.38
  5 ALA  H       6 VAL  H       4.10
  4 TRP  H       5 ALA  H       3.47
  6 VAL  H       7 GLY  H       4.53
  7 GLY  H       8 HIS  H       3.63
  8 HIS  H       8 HIS  HD2     5.14
  8 HIS  H       9 LEU  H       3.36
  4 TRP  HE3     5 ALA  H       4.75
  4 TRP  HA      4 TRP  HE3     3.89
  4 TRP  HE3     5 ALA  HA      5.04
  6 VAL  HA      6 VAL  QG1     3.73
  6 VAL  HA      6 VAL  QG2     3.73
  6 VAL  QG2     7 GLY  H       4.35
  3 HIS  HB2     4 TRP  H       4.66
  6 VAL  HB      7 GLY  H       4.25
  4 TRP  HB2     4 TRP  HD1     3.77
  4 TRP  HB3     4 TRP  HD1     3.77
  4 TRP  HA      5 ALA  QB      4.67
  5 ALA  HA      6 VAL  HB      5.07
  4 TRP  HA      5 ALA  HA      4.70
  4 TRP  HA      4 TRP  HD1     4.46
  5 ALA  QB      6 VAL  HB      5.40
  5 ALA  QB      6 VAL  QG1     5.38
  5 ALA  QB      6 VAL  QG2     5.38
  5 ALA  HA      6 VAL  HA      4.60
  5 ALA  QB      6 VAL  HA      5.24
  4 TRP  H       4 TRP  QB      3.05
  4 TRP  QB      4 TRP  HD1     3.28
  4 TRP  QB      4 TRP  HE3     3.58
  4 TRP  QB      5 ALA  H       3.49
  5 ALA  HA      6 VAL  QQG     5.44
  5 ALA  QB      6 VAL  QQG     4.53
  6 VAL  H       6 VAL  QQG     3.40
  6 VAL  QQG     7 GLY  H       3.81
  8 HIS  H       8 HIS  QB      3.38
  8 HIS  QB      9 LEU  H       4.13
  9 LEU  H       9 LEU  QB      3.34
  9 LEU  QB     10 MET  H       4.14 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -10.425   4.099   3.188
    2    H2   GLY   1           HT2      GLY   1  -9.776   4.230   4.753
    3    H3   GLY   1           HT3      GLY   1  -8.847   3.566   3.495
    4    HA2  GLY   1           HA1      GLY   1  -9.892   6.262   3.206
    5    HA3  GLY   1           HA2      GLY   1  -8.503   5.986   4.274
    6    H    ASN   2           HN       ASN   2  -6.605   6.301   3.354
    7    HA   ASN   2           HA       ASN   2  -6.414   6.171   0.390
    8    HB2  ASN   2           HB2      ASN   2  -4.658   7.266   2.590
    9    HB3  ASN   2           HB1      ASN   2  -4.041   7.054   0.938
   10   HD21  ASN   2          HD21      ASN   2  -7.035   8.320   2.528
   11   HD22  ASN   2          HD22      ASN   2  -7.108   9.784   1.541
   12    H    HIS   3           HN       HIS   3  -4.740   5.037  -0.695
   13    HA   HIS   3           HA       HIS   3  -4.121   2.451   0.647
   14    HB2  HIS   3           HB2      HIS   3  -4.038   3.412  -2.210
   15    HB3  HIS   3           HB1      HIS   3  -3.313   1.870  -1.718
   16    HD1  HIS   3           HD1      HIS   3  -6.711   3.579  -1.012
   17    HD2  HIS   3           HD2      HIS   3  -5.086  -0.028  -2.456
   18    HE1  HIS   3           HE1      HIS   3  -8.649   1.977  -1.382
   19    H    TRP   4           HN       TRP   4  -2.652   4.122   1.969
   20    HA   TRP   4           HA       TRP   4  -0.241   5.079   0.891
   21    HB2  TRP   4           HB2      TRP   4  -1.237   4.296   3.562
   22    HB3  TRP   4           HB1      TRP   4   0.529   4.270   3.415
   23    HD1  TRP   4           HD1      TRP   4  -1.988   6.521   4.582
   24    HE1  TRP   4           HE1      TRP   4  -1.314   9.021   4.365
   25    HE3  TRP   4           HE3      TRP   4   1.882   5.985   1.290
   26    HZ2  TRP   4           HZ2      TRP   4   0.611  10.505   2.970
   27    HZ3  TRP   4           HZ3      TRP   4   3.096   7.993   0.554
   28    HH2  TRP   4           HH2      TRP   4   2.467  10.230   1.389
   29    H    ALA   5           HN       ALA   5  -0.346   2.136   2.927
   30    HA   ALA   5           HA       ALA   5   1.724   0.950   1.085
   31    HB1  ALA   5           HB1      ALA   5   1.336   0.434   4.042
   32    HB2  ALA   5           HB2      ALA   5   2.558   1.528   3.349
   33    HB3  ALA   5           HB3      ALA   5   2.623  -0.217   3.001
   34    H    VAL   6           HN       VAL   6   0.351  -0.127  -0.283
   35    HA   VAL   6           HA       VAL   6  -0.812  -2.593   0.888
   36    HB   VAL   6           HB       VAL   6  -2.462  -0.686  -0.798
   37   HG11  VAL   6          HG11      VAL   6  -3.013  -2.929  -1.419
   38   HG12  VAL   6          HG12      VAL   6  -4.282  -2.383  -0.301
   39   HG13  VAL   6          HG13      VAL   6  -2.990  -3.464   0.277
   40   HG21  VAL   6          HG21      VAL   6  -3.942  -0.675   1.255
   41   HG22  VAL   6          HG22      VAL   6  -2.378   0.144   1.455
   42   HG23  VAL   6          HG23      VAL   6  -2.616  -1.490   2.119
   43    H    GLY   7           HN       GLY   7  -0.411  -4.300  -0.343
   44    HA2  GLY   7           HA2      GLY   7   0.017  -5.538  -2.262
   45    HA3  GLY   7           HA1      GLY   7  -0.425  -4.129  -3.244
   46    H    HIS   8           HN       HIS   8   2.179  -5.592  -1.303
   47    HA   HIS   8           HA       HIS   8   4.148  -4.098  -3.029
   48    HB2  HIS   8           HB2      HIS   8   4.579  -5.018  -0.180
   49    HB3  HIS   8           HB1      HIS   8   5.670  -4.038  -1.175
   50    HD1  HIS   8           HD1      HIS   8   4.027  -1.779  -2.205
   51    HD2  HIS   8           HD2      HIS   8   3.683  -3.295   1.707
   52    HE1  HIS   8           HE1      HIS   8   2.901   0.015  -0.801
   53    H    LEU   9           HN       LEU   9   2.964  -6.579  -3.748
   54    HA   LEU   9           HA       LEU   9   5.222  -8.503  -3.257
   55    HB2  LEU   9           HB2      LEU   9   2.338  -8.860  -4.018
   56    HB3  LEU   9           HB1      LEU   9   3.523 -10.156  -4.247
   57    HG   LEU   9           HG       LEU   9   3.244  -8.882  -1.543
   58   HD11  LEU   9          HD11      LEU   9   0.938  -9.364  -2.166
   59   HD12  LEU   9          HD12      LEU   9   1.500 -10.560  -0.974
   60   HD13  LEU   9          HD13      LEU   9   1.402 -10.998  -2.698
   61   HD21  LEU   9          HD21      LEU   9   3.791 -11.732  -2.431
   62   HD22  LEU   9          HD22      LEU   9   3.940 -11.084  -0.780
   63   HD23  LEU   9          HD23      LEU   9   5.052 -10.535  -2.055
   64    H    MET  10           HN       MET  10   6.640  -8.782  -4.816
   65    HA   MET  10           HA       MET  10   6.179  -7.636  -7.467
   66    HB2  MET  10           HB2      MET  10   8.440  -9.333  -6.370
   67    HB3  MET  10           HB1      MET  10   8.432  -8.549  -7.961
   68    HG2  MET  10           HG2      MET  10   8.325  -6.356  -6.916
   69    HG3  MET  10           HG1      MET  10   8.219  -7.104  -5.309
   70    HE1  MET  10           HE1      MET  10  10.078  -7.702  -3.884
   71    HE2  MET  10           HE2      MET  10  11.714  -8.174  -4.407
   72    HE3  MET  10           HE3      MET  10  10.315  -9.191  -4.831
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  -8.476  -0.308   6.788
    2    H2   GLY   1           HT2      GLY   1  -8.663   1.380   6.859
    3    H3   GLY   1           HT3      GLY   1  -8.036   0.533   8.192
    4    HA2  GLY   1           HA1      GLY   1  -6.097   1.171   7.408
    5    HA3  GLY   1           HA2      GLY   1  -6.335  -0.224   6.340
    6    H    ASN   2           HN       ASN   2  -5.022   2.571   6.142
    7    HA   ASN   2           HA       ASN   2  -6.551   3.835   3.973
    8    HB2  ASN   2           HB2      ASN   2  -3.933   4.368   5.360
    9    HB3  ASN   2           HB1      ASN   2  -4.313   5.199   3.838
   10   HD21  ASN   2          HD21      ASN   2  -6.808   5.977   3.872
   11   HD22  ASN   2          HD22      ASN   2  -7.199   6.926   5.310
   12    H    HIS   3           HN       HIS   3  -5.119   4.529   1.993
   13    HA   HIS   3           HA       HIS   3  -4.149   1.958   0.807
   14    HB2  HIS   3           HB2      HIS   3  -5.996   3.595  -0.168
   15    HB3  HIS   3           HB1      HIS   3  -4.589   4.453  -0.817
   16    HD1  HIS   3           HD1      HIS   3  -5.736   0.764  -0.620
   17    HD2  HIS   3           HD2      HIS   3  -4.231   3.591  -3.352
   18    HE1  HIS   3           HE1      HIS   3  -5.433  -0.426  -2.844
   19    H    TRP   4           HN       TRP   4  -2.573   3.658   2.666
   20    HA   TRP   4           HA       TRP   4  -0.670   5.241   1.340
   21    HB2  TRP   4           HB2      TRP   4  -0.797   3.708   3.868
   22    HB3  TRP   4           HB1      TRP   4   0.849   4.043   3.302
   23    HD1  TRP   4           HD1      TRP   4  -1.460   5.463   5.614
   24    HE1  TRP   4           HE1      TRP   4  -1.187   8.028   5.909
   25    HE3  TRP   4           HE3      TRP   4   1.305   6.423   1.424
   26    HZ2  TRP   4           HZ2      TRP   4   0.046  10.125   4.517
   27    HZ3  TRP   4           HZ3      TRP   4   1.990   8.737   0.965
   28    HH2  TRP   4           HH2      TRP   4   1.371  10.570   2.501
   29    H    ALA   5           HN       ALA   5   0.113   1.947   2.500
   30    HA   ALA   5           HA       ALA   5   1.723   1.585  -0.021
   31    HB1  ALA   5           HB1      ALA   5   2.191   0.558   2.787
   32    HB2  ALA   5           HB2      ALA   5   3.191   1.712   1.872
   33    HB3  ALA   5           HB3      ALA   5   3.096   0.010   1.357
   34    H    VAL   6           HN       VAL   6   0.420   0.493  -1.356
   35    HA   VAL   6           HA       VAL   6  -0.746  -2.069  -0.285
   36    HB   VAL   6           HB       VAL   6  -2.468  -0.394  -0.936
   37   HG11  VAL   6          HG11      VAL   6  -2.746  -0.026  -3.427
   38   HG12  VAL   6          HG12      VAL   6  -1.100  -0.609  -3.638
   39   HG13  VAL   6          HG13      VAL   6  -1.408   0.847  -2.669
   40   HG21  VAL   6          HG21      VAL   6  -3.806  -1.933  -2.230
   41   HG22  VAL   6          HG22      VAL   6  -2.802  -2.877  -1.113
   42   HG23  VAL   6          HG23      VAL   6  -2.354  -2.758  -2.831
   43    H    GLY   7           HN       GLY   7  -0.663  -3.906  -1.567
   44    HA2  GLY   7           HA2      GLY   7   0.068  -5.216  -3.364
   45    HA3  GLY   7           HA1      GLY   7   0.737  -3.777  -4.154
   46    H    HIS   8           HN       HIS   8   1.427  -4.759  -0.821
   47    HA   HIS   8           HA       HIS   8   4.281  -5.221  -1.661
   48    HB2  HIS   8           HB2      HIS   8   2.993  -4.077   0.789
   49    HB3  HIS   8           HB1      HIS   8   4.570  -4.867   0.946
   50    HD1  HIS   8           HD1      HIS   8   3.160  -1.629   0.509
   51    HD2  HIS   8           HD2      HIS   8   6.301  -3.696  -1.382
   52    HE1  HIS   8           HE1      HIS   8   4.722   0.120  -0.473
   53    H    LEU   9           HN       LEU   9   1.996  -7.162  -1.726
   54    HA   LEU   9           HA       LEU   9   2.921  -9.094   0.370
   55    HB2  LEU   9           HB2      LEU   9   0.428  -8.719  -1.211
   56    HB3  LEU   9           HB1      LEU   9   0.845 -10.364  -0.723
   57    HG   LEU   9           HG       LEU   9  -0.744  -9.241   0.803
   58   HD11  LEU   9          HD11      LEU   9   0.187 -10.103   2.752
   59   HD12  LEU   9          HD12      LEU   9   1.834  -9.594   2.331
   60   HD13  LEU   9          HD13      LEU   9   1.087 -10.977   1.495
   61   HD21  LEU   9          HD21      LEU   9   0.038  -7.429   2.266
   62   HD22  LEU   9          HD22      LEU   9   0.097  -6.942   0.555
   63   HD23  LEU   9          HD23      LEU   9   1.593  -7.399   1.403
   64    H    MET  10           HN       MET  10   4.934  -9.478  -0.744
   65    HA   MET  10           HA       MET  10   5.027 -10.505  -3.421
   66    HB2  MET  10           HB2      MET  10   6.895 -10.785  -1.058
   67    HB3  MET  10           HB1      MET  10   7.262 -11.441  -2.666
   68    HG2  MET  10           HG2      MET  10   6.948  -9.105  -3.565
   69    HG3  MET  10           HG1      MET  10   6.874  -8.543  -1.883
   70    HE1  MET  10           HE1      MET  10   9.336  -8.552  -4.768
   71    HE2  MET  10           HE2      MET  10   8.793 -10.243  -4.656
   72    HE3  MET  10           HE3      MET  10  10.496  -9.833  -4.339
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  -8.002  -1.740   3.031
    2    H2   GLY   1           HT2      GLY   1  -7.906  -2.535   4.529
    3    H3   GLY   1           HT3      GLY   1  -6.730  -1.387   4.092
    4    HA2  GLY   1           HA1      GLY   1  -9.569  -0.699   4.312
    5    HA3  GLY   1           HA2      GLY   1  -8.492  -0.693   5.721
    6    H    ASN   2           HN       ASN   2  -6.131   0.249   4.638
    7    HA   ASN   2           HA       ASN   2  -6.920   3.076   4.070
    8    HB2  ASN   2           HB2      ASN   2  -4.467   1.745   5.206
    9    HB3  ASN   2           HB1      ASN   2  -4.375   3.392   4.551
   10   HD21  ASN   2          HD21      ASN   2  -4.548   1.802   7.371
   11   HD22  ASN   2          HD22      ASN   2  -5.528   2.934   8.312
   12    H    HIS   3           HN       HIS   3  -4.960   4.212   2.816
   13    HA   HIS   3           HA       HIS   3  -4.372   2.555   0.386
   14    HB2  HIS   3           HB2      HIS   3  -6.368   4.269   0.277
   15    HB3  HIS   3           HB1      HIS   3  -5.075   5.468   0.113
   16    HD1  HIS   3           HD1      HIS   3  -6.805   5.378  -2.264
   17    HD2  HIS   3           HD2      HIS   3  -3.493   2.845  -1.774
   18    HE1  HIS   3           HE1      HIS   3  -6.208   4.470  -4.559
   19    H    TRP   4           HN       TRP   4  -2.768   3.321   2.747
   20    HA   TRP   4           HA       TRP   4  -0.987   5.453   1.935
   21    HB2  TRP   4           HB2      TRP   4  -1.370   3.764   4.203
   22    HB3  TRP   4           HB1      TRP   4   0.322   3.579   3.718
   23    HD1  TRP   4           HD1      TRP   4  -1.324   5.383   6.200
   24    HE1  TRP   4           HE1      TRP   4  -0.344   7.741   6.674
   25    HE3  TRP   4           HE3      TRP   4   1.326   5.983   1.876
   26    HZ2  TRP   4           HZ2      TRP   4   1.327   9.562   5.349
   27    HZ3  TRP   4           HZ3      TRP   4   2.595   8.063   1.544
   28    HH2  TRP   4           HH2      TRP   4   2.596   9.834   3.267
   29    H    ALA   5           HN       ALA   5  -0.305   1.941   2.297
   30    HA   ALA   5           HA       ALA   5   1.303   2.101  -0.226
   31    HB1  ALA   5           HB1      ALA   5   3.058   0.707   0.881
   32    HB2  ALA   5           HB2      ALA   5   2.238   0.996   2.435
   33    HB3  ALA   5           HB3      ALA   5   2.933   2.360   1.526
   34    H    VAL   6           HN       VAL   6   0.390   0.752  -1.585
   35    HA   VAL   6           HA       VAL   6  -0.604  -1.876  -0.497
   36    HB   VAL   6           HB       VAL   6  -2.372  -0.414  -1.452
   37   HG11  VAL   6          HG11      VAL   6  -0.981  -0.833  -4.104
   38   HG12  VAL   6          HG12      VAL   6  -0.849   0.665  -3.152
   39   HG13  VAL   6          HG13      VAL   6  -2.431   0.144  -3.778
   40   HG21  VAL   6          HG21      VAL   6  -1.805  -2.861  -3.149
   41   HG22  VAL   6          HG22      VAL   6  -3.395  -2.131  -2.820
   42   HG23  VAL   6          HG23      VAL   6  -2.486  -2.913  -1.505
   43    H    GLY   7           HN       GLY   7  -0.154  -3.766  -1.579
   44    HA2  GLY   7           HA1      GLY   7   0.774  -4.948  -3.461
   45    HA3  GLY   7           HA2      GLY   7   1.776  -3.544  -3.871
   46    H    HIS   8           HN       HIS   8   1.316  -6.259  -1.642
   47    HA   HIS   8           HA       HIS   8   4.190  -5.944  -0.786
   48    HB2  HIS   8           HB2      HIS   8   1.962  -7.414   0.639
   49    HB3  HIS   8           HB1      HIS   8   3.613  -7.144   1.224
   50    HD1  HIS   8           HD1      HIS   8   3.728  -4.056   0.342
   51    HD2  HIS   8           HD2      HIS   8   0.588  -5.896   2.455
   52    HE1  HIS   8           HE1      HIS   8   2.586  -2.245   1.710
   53    H    LEU   9           HN       LEU   9   3.899  -7.033  -3.228
   54    HA   LEU   9           HA       LEU   9   3.628  -9.948  -3.029
   55    HB2  LEU   9           HB2      LEU   9   4.220  -7.968  -5.183
   56    HB3  LEU   9           HB1      LEU   9   4.663  -9.657  -5.457
   57    HG   LEU   9           HG       LEU   9   2.510  -9.130  -6.451
   58   HD11  LEU   9          HD11      LEU   9   1.776 -10.824  -4.074
   59   HD12  LEU   9          HD12      LEU   9   3.078 -11.370  -5.159
   60   HD13  LEU   9          HD13      LEU   9   1.448 -11.073  -5.802
   61   HD21  LEU   9          HD21      LEU   9   1.590  -8.508  -3.625
   62   HD22  LEU   9          HD22      LEU   9   0.572  -8.526  -5.086
   63   HD23  LEU   9          HD23      LEU   9   1.862  -7.311  -4.913
   64    H    MET  10           HN       MET  10   5.143 -11.356  -2.513
   65    HA   MET  10           HA       MET  10   7.775 -10.515  -1.754
   66    HB2  MET  10           HB2      MET  10   8.259 -12.922  -1.568
   67    HB3  MET  10           HB1      MET  10   6.727 -12.483  -0.790
   68    HG2  MET  10           HG2      MET  10   5.984 -14.328  -1.920
   69    HG3  MET  10           HG1      MET  10   5.818 -13.161  -3.244
   70    HE1  MET  10           HE1      MET  10   7.660 -14.805  -5.951
   71    HE2  MET  10           HE2      MET  10   7.548 -13.117  -5.426
   72    HE3  MET  10           HE3      MET  10   6.122 -14.172  -5.324
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  -6.553   6.712  -2.135
    2    H2   GLY   1           HT2      GLY   1  -6.177   7.199  -0.551
    3    H3   GLY   1           HT3      GLY   1  -7.279   8.097  -1.483
    4    HA2  GLY   1           HA2      GLY   1  -8.706   6.970  -0.205
    5    HA3  GLY   1           HA1      GLY   1  -8.548   5.883  -1.599
    6    H    ASN   2           HN       ASN   2  -6.679   6.601   1.386
    7    HA   ASN   2           HA       ASN   2  -5.692   5.165   2.905
    8    HB2  ASN   2           HB2      ASN   2  -7.883   3.162   2.357
    9    HB3  ASN   2           HB1      ASN   2  -7.097   3.574   3.895
   10   HD21  ASN   2          HD21      ASN   2  -7.619   5.654   4.898
   11   HD22  ASN   2          HD22      ASN   2  -9.182   6.400   4.550
   12    H    HIS   3           HN       HIS   3  -4.622   5.002   0.333
   13    HA   HIS   3           HA       HIS   3  -3.970   2.065   0.151
   14    HB2  HIS   3           HB2      HIS   3  -5.217   3.316  -1.791
   15    HB3  HIS   3           HB1      HIS   3  -3.611   3.966  -2.159
   16    HD1  HIS   3           HD1      HIS   3  -5.761   0.926  -2.439
   17    HD2  HIS   3           HD2      HIS   3  -1.754   2.042  -3.086
   18    HE1  HIS   3           HE1      HIS   3  -4.646  -0.982  -3.694
   19    H    TRP   4           HN       TRP   4  -2.740   4.063   1.892
   20    HA   TRP   4           HA       TRP   4  -0.347   5.131   0.871
   21    HB2  TRP   4           HB2      TRP   4  -1.405   4.356   3.507
   22    HB3  TRP   4           HB1      TRP   4   0.365   4.319   3.434
   23    HD1  TRP   4           HD1      TRP   4  -2.164   6.589   4.505
   24    HE1  TRP   4           HE1      TRP   4  -1.479   9.085   4.287
   25    HE3  TRP   4           HE3      TRP   4   1.784   6.019   1.315
   26    HZ2  TRP   4           HZ2      TRP   4   0.482  10.553   2.927
   27    HZ3  TRP   4           HZ3      TRP   4   3.020   8.018   0.592
   28    HH2  TRP   4           HH2      TRP   4   2.376  10.262   1.396
   29    H    ALA   5           HN       ALA   5  -0.402   2.171   2.890
   30    HA   ALA   5           HA       ALA   5   1.779   1.085   1.117
   31    HB1  ALA   5           HB1      ALA   5   2.532  -0.154   3.143
   32    HB2  ALA   5           HB2      ALA   5   1.334   0.758   4.093
   33    HB3  ALA   5           HB3      ALA   5   2.673   1.613   3.290
   34    H    VAL   6           HN       VAL   6   0.347   0.043  -0.282
   35    HA   VAL   6           HA       VAL   6  -0.618  -2.541   0.812
   36    HB   VAL   6           HB       VAL   6  -2.462  -0.649  -0.684
   37   HG11  VAL   6          HG11      VAL   6  -4.149  -2.481  -0.201
   38   HG12  VAL   6          HG12      VAL   6  -2.770  -3.510   0.250
   39   HG13  VAL   6          HG13      VAL   6  -2.911  -2.883  -1.410
   40   HG21  VAL   6          HG21      VAL   6  -2.406  -1.614   2.184
   41   HG22  VAL   6          HG22      VAL   6  -3.833  -0.854   1.438
   42   HG23  VAL   6          HG23      VAL   6  -2.320   0.065   1.597
   43    H    GLY   7           HN       GLY   7  -0.269  -4.168  -0.548
   44    HA2  GLY   7           HA2      GLY   7  -0.118  -5.216  -2.652
   45    HA3  GLY   7           HA1      GLY   7  -0.188  -3.642  -3.465
   46    H    HIS   8           HN       HIS   8   1.929  -5.477  -1.210
   47    HA   HIS   8           HA       HIS   8   4.287  -4.353  -2.705
   48    HB2  HIS   8           HB2      HIS   8   3.963  -5.352   0.125
   49    HB3  HIS   8           HB1      HIS   8   5.548  -5.093  -0.628
   50    HD1  HIS   8           HD1      HIS   8   6.475  -2.744  -0.680
   51    HD2  HIS   8           HD2      HIS   8   2.366  -2.883   0.228
   52    HE1  HIS   8           HE1      HIS   8   5.798  -0.417   0.086
   53    H    LEU   9           HN       LEU   9   2.600  -6.637  -3.547
   54    HA   LEU   9           HA       LEU   9   4.705  -8.791  -3.389
   55    HB2  LEU   9           HB2      LEU   9   2.696  -9.483  -2.241
   56    HB3  LEU   9           HB1      LEU   9   1.700  -8.999  -3.619
   57    HG   LEU   9           HG       LEU   9   2.931 -10.783  -4.962
   58   HD11  LEU   9          HD11      LEU   9   4.879 -11.141  -3.610
   59   HD12  LEU   9          HD12      LEU   9   3.903 -12.626  -3.551
   60   HD13  LEU   9          HD13      LEU   9   3.882 -11.494  -2.180
   61   HD21  LEU   9          HD21      LEU   9   1.298 -11.678  -2.575
   62   HD22  LEU   9          HD22      LEU   9   1.547 -12.598  -4.079
   63   HD23  LEU   9          HD23      LEU   9   0.639 -11.068  -4.112
   64    H    MET  10           HN       MET  10   5.848  -8.167  -5.194
   65    HA   MET  10           HA       MET  10   4.774  -7.369  -7.679
   66    HB2  MET  10           HB2      MET  10   7.215  -7.428  -6.876
   67    HB3  MET  10           HB1      MET  10   7.223  -9.118  -7.413
   68    HG2  MET  10           HG2      MET  10   6.278  -8.072  -9.651
   69    HG3  MET  10           HG1      MET  10   7.068  -6.608  -9.032
   70    HE1  MET  10           HE1      MET  10  10.793  -7.352  -9.102
   71    HE2  MET  10           HE2      MET  10   9.578  -6.934  -7.869
   72    HE3  MET  10           HE3      MET  10   9.567  -6.107  -9.444
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  -4.656   8.596  -1.186
    2    H2   GLY   1           HT2      GLY   1  -3.691   7.394  -0.471
    3    H3   GLY   1           HT3      GLY   1  -3.054   8.943  -0.756
    4    HA2  GLY   1           HA1      GLY   1  -3.517   9.305   1.345
    5    HA3  GLY   1           HA2      GLY   1  -5.151   9.567   0.708
    6    H    ASN   2           HN       ASN   2  -5.559   6.757  -0.012
    7    HA   ASN   2           HA       ASN   2  -5.973   5.693   2.775
    8    HB2  ASN   2           HB2      ASN   2  -7.573   5.533   0.232
    9    HB3  ASN   2           HB1      ASN   2  -7.726   4.249   1.450
   10   HD21  ASN   2          HD21      ASN   2  -7.436   7.855   1.524
   11   HD22  ASN   2          HD22      ASN   2  -8.829   8.083   2.588
   12    H    HIS   3           HN       HIS   3  -4.709   5.037  -0.443
   13    HA   HIS   3           HA       HIS   3  -4.029   2.244   0.382
   14    HB2  HIS   3           HB2      HIS   3  -3.330   2.007  -2.000
   15    HB3  HIS   3           HB1      HIS   3  -5.040   2.417  -1.789
   16    HD1  HIS   3           HD1      HIS   3  -5.825   4.822  -2.496
   17    HD2  HIS   3           HD2      HIS   3  -1.746   4.028  -3.167
   18    HE1  HIS   3           HE1      HIS   3  -4.971   6.596  -4.102
   19    H    TRP   4           HN       TRP   4  -2.685   4.092   1.870
   20    HA   TRP   4           HA       TRP   4  -0.251   5.069   0.867
   21    HB2  TRP   4           HB2      TRP   4  -1.323   4.294   3.512
   22    HB3  TRP   4           HB1      TRP   4   0.446   4.300   3.421
   23    HD1  TRP   4           HD1      TRP   4  -2.152   6.519   4.475
   24    HE1  TRP   4           HE1      TRP   4  -1.514   9.026   4.257
   25    HE3  TRP   4           HE3      TRP   4   1.846   6.016   1.334
   26    HZ2  TRP   4           HZ2      TRP   4   0.435  10.530   2.920
   27    HZ3  TRP   4           HZ3      TRP   4   3.050   8.039   0.622
   28    HH2  TRP   4           HH2      TRP   4   2.351  10.271   1.410
   29    H    ALA   5           HN       ALA   5  -0.379   2.146   2.932
   30    HA   ALA   5           HA       ALA   5   1.767   0.973   1.172
   31    HB1  ALA   5           HB1      ALA   5   1.293   0.688   4.148
   32    HB2  ALA   5           HB2      ALA   5   2.663   1.491   3.343
   33    HB3  ALA   5           HB3      ALA   5   2.465  -0.273   3.216
   34    H    VAL   6           HN       VAL   6   0.375  -0.083  -0.230
   35    HA   VAL   6           HA       VAL   6  -0.725  -2.594   0.903
   36    HB   VAL   6           HB       VAL   6  -2.432  -0.693  -0.734
   37   HG11  VAL   6          HG11      VAL   6  -2.884  -3.502   0.291
   38   HG12  VAL   6          HG12      VAL   6  -2.937  -2.932  -1.395
   39   HG13  VAL   6          HG13      VAL   6  -4.205  -2.442  -0.252
   40   HG21  VAL   6          HG21      VAL   6  -3.895  -0.762   1.335
   41   HG22  VAL   6          HG22      VAL   6  -2.352   0.100   1.529
   42   HG23  VAL   6          HG23      VAL   6  -2.534  -1.551   2.170
   43    H    GLY   7           HN       GLY   7  -0.514  -4.292  -0.426
   44    HA2  GLY   7           HA2      GLY   7  -0.068  -5.467  -2.378
   45    HA3  GLY   7           HA1      GLY   7  -0.432  -3.999  -3.306
   46    H    HIS   8           HN       HIS   8   2.080  -5.489  -1.233
   47    HA   HIS   8           HA       HIS   8   4.140  -4.030  -2.879
   48    HB2  HIS   8           HB2      HIS   8   4.227  -5.063  -0.035
   49    HB3  HIS   8           HB1      HIS   8   5.644  -4.473  -0.923
   50    HD1  HIS   8           HD1      HIS   8   5.292  -1.877  -1.925
   51    HD2  HIS   8           HD2      HIS   8   2.819  -3.122   1.247
   52    HE1  HIS   8           HE1      HIS   8   4.444   0.220  -0.773
   53    H    LEU   9           HN       LEU   9   3.326  -6.028  -4.285
   54    HA   LEU   9           HA       LEU   9   5.186  -8.312  -3.652
   55    HB2  LEU   9           HB2      LEU   9   3.704  -9.686  -5.057
   56    HB3  LEU   9           HB1      LEU   9   2.908  -9.039  -3.616
   57    HG   LEU   9           HG       LEU   9   2.150  -7.146  -5.331
   58   HD11  LEU   9          HD11      LEU   9   1.931  -7.792  -7.560
   59   HD12  LEU   9          HD12      LEU   9   2.113  -9.519  -7.180
   60   HD13  LEU   9          HD13      LEU   9   3.521  -8.459  -7.165
   61   HD21  LEU   9          HD21      LEU   9   0.569  -8.441  -4.072
   62   HD22  LEU   9          HD22      LEU   9   0.941  -9.907  -5.011
   63   HD23  LEU   9          HD23      LEU   9   0.090  -8.548  -5.783
   64    H    MET  10           HN       MET  10   4.099  -5.954  -6.021
   65    HA   MET  10           HA       MET  10   5.043  -5.283  -8.017
   66    HB2  MET  10           HB2      MET  10   7.499  -6.859  -7.188
   67    HB3  MET  10           HB1      MET  10   7.406  -5.517  -8.335
   68    HG2  MET  10           HG2      MET  10   6.861  -5.320  -5.371
   69    HG3  MET  10           HG1      MET  10   8.355  -4.811  -6.180
   70    HE1  MET  10           HE1      MET  10   7.530  -2.735  -4.517
   71    HE2  MET  10           HE2      MET  10   7.065  -1.288  -5.443
   72    HE3  MET  10           HE3      MET  10   8.530  -2.197  -5.888
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  -4.739   9.118   1.966
    2    H2   GLY   1           HT2      GLY   1  -6.092   8.177   1.554
    3    H3   GLY   1           HT3      GLY   1  -4.545   7.476   1.595
    4    HA2  GLY   1           HA1      GLY   1  -4.680   8.436   4.042
    5    HA3  GLY   1           HA2      GLY   1  -6.388   8.079   3.721
    6    H    ASN   2           HN       ASN   2  -7.037   5.934   3.241
    7    HA   ASN   2           HA       ASN   2  -5.592   3.964   4.775
    8    HB2  ASN   2           HB2      ASN   2  -7.844   3.599   2.770
    9    HB3  ASN   2           HB1      ASN   2  -7.296   2.395   3.954
   10   HD21  ASN   2          HD21      ASN   2  -9.586   4.761   3.338
   11   HD22  ASN   2          HD22      ASN   2 -10.073   5.098   5.002
   12    H    HIS   3           HN       HIS   3  -5.738   4.806   1.353
   13    HA   HIS   3           HA       HIS   3  -4.261   2.383   0.547
   14    HB2  HIS   3           HB2      HIS   3  -5.203   4.850  -0.921
   15    HB3  HIS   3           HB1      HIS   3  -4.220   3.592  -1.693
   16    HD1  HIS   3           HD1      HIS   3  -7.666   4.578  -1.114
   17    HD2  HIS   3           HD2      HIS   3  -5.613   0.906  -1.245
   18    HE1  HIS   3           HE1      HIS   3  -9.385   2.778  -1.630
   19    H    TRP   4           HN       TRP   4  -2.677   3.299   2.391
   20    HA   TRP   4           HA       TRP   4  -0.800   5.284   1.332
   21    HB2  TRP   4           HB2      TRP   4  -1.396   4.065   3.880
   22    HB3  TRP   4           HB1      TRP   4   0.343   3.932   3.575
   23    HD1  TRP   4           HD1      TRP   4  -1.599   6.037   5.532
   24    HE1  TRP   4           HE1      TRP   4  -0.840   8.518   5.574
   25    HE3  TRP   4           HE3      TRP   4   1.311   6.019   1.325
   26    HZ2  TRP   4           HZ2      TRP   4   0.772  10.189   4.003
   27    HZ3  TRP   4           HZ3      TRP   4   2.417   8.099   0.650
   28    HH2  TRP   4           HH2      TRP   4   2.159  10.163   1.978
   29    H    ALA   5           HN       ALA   5  -0.190   2.008   2.656
   30    HA   ALA   5           HA       ALA   5   1.721   1.584   0.367
   31    HB1  ALA   5           HB1      ALA   5   2.123   0.171   2.983
   32    HB2  ALA   5           HB2      ALA   5   2.533   1.896   2.878
   33    HB3  ALA   5           HB3      ALA   5   3.317   0.735   1.788
   34    H    VAL   6           HN       VAL   6   0.333   0.495  -0.959
   35    HA   VAL   6           HA       VAL   6  -0.575  -2.175   0.100
   36    HB   VAL   6           HB       VAL   6  -2.478  -0.632  -0.334
   37   HG11  VAL   6          HG11      VAL   6  -1.650  -0.798  -3.240
   38   HG12  VAL   6          HG12      VAL   6  -1.327   0.610  -2.201
   39   HG13  VAL   6          HG13      VAL   6  -3.004   0.125  -2.549
   40   HG21  VAL   6          HG21      VAL   6  -3.783  -2.217  -1.633
   41   HG22  VAL   6          HG22      VAL   6  -2.657  -3.109  -0.582
   42   HG23  VAL   6          HG23      VAL   6  -2.299  -2.922  -2.316
   43    H    GLY   7           HN       GLY   7  -0.371  -3.956  -1.208
   44    HA2  GLY   7           HA2      GLY   7   0.243  -5.090  -3.185
   45    HA3  GLY   7           HA1      GLY   7   0.837  -3.578  -3.896
   46    H    HIS   8           HN       HIS   8   1.521  -5.884  -1.231
   47    HA   HIS   8           HA       HIS   8   4.438  -5.263  -1.568
   48    HB2  HIS   8           HB2      HIS   8   3.037  -6.747   0.668
   49    HB3  HIS   8           HB1      HIS   8   4.739  -6.256   0.616
   50    HD1  HIS   8           HD1      HIS   8   4.331  -3.312  -0.418
   51    HD2  HIS   8           HD2      HIS   8   2.005  -5.126   2.587
   52    HE1  HIS   8           HE1      HIS   8   3.433  -1.456   1.058
   53    H    LEU   9           HN       LEU   9   2.889  -6.915  -3.445
   54    HA   LEU   9           HA       LEU   9   4.073  -9.615  -2.895
   55    HB2  LEU   9           HB2      LEU   9   1.787  -8.632  -4.567
   56    HB3  LEU   9           HB1      LEU   9   2.554 -10.174  -4.954
   57    HG   LEU   9           HG       LEU   9   0.570 -10.538  -3.647
   58   HD11  LEU   9          HD11      LEU   9   2.854 -11.799  -3.228
   59   HD12  LEU   9          HD12      LEU   9   1.451 -12.085  -2.176
   60   HD13  LEU   9          HD13      LEU   9   2.759 -11.016  -1.633
   61   HD21  LEU   9          HD21      LEU   9   0.540  -8.314  -2.532
   62   HD22  LEU   9          HD22      LEU   9   1.855  -8.862  -1.468
   63   HD23  LEU   9          HD23      LEU   9   0.270  -9.665  -1.408
   64    H    MET  10           HN       MET  10   5.527  -7.178  -3.838
   65    HA   MET  10           HA       MET  10   6.077  -7.441  -6.625
   66    HB2  MET  10           HB2      MET  10   6.718  -5.610  -4.826
   67    HB3  MET  10           HB1      MET  10   8.208  -6.557  -4.686
   68    HG2  MET  10           HG2      MET  10   7.260  -5.738  -7.421
   69    HG3  MET  10           HG1      MET  10   8.037  -4.542  -6.378
   70    HE1  MET  10           HE1      MET  10  10.360  -4.018  -7.360
   71    HE2  MET  10           HE2      MET  10  11.651  -5.104  -6.791
   72    HE3  MET  10           HE3      MET  10  10.419  -4.513  -5.651
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  -7.535  -0.374   5.918
    2    H2   GLY   1           HT2      GLY   1  -8.878  -1.323   5.486
    3    H3   GLY   1           HT3      GLY   1  -8.924   0.364   5.287
    4    HA2  GLY   1           HA1      GLY   1  -6.904  -1.259   3.939
    5    HA3  GLY   1           HA2      GLY   1  -8.538  -1.098   3.272
    6    H    ASN   2           HN       ASN   2  -5.783   0.822   4.508
    7    HA   ASN   2           HA       ASN   2  -6.695   3.199   3.031
    8    HB2  ASN   2           HB2      ASN   2  -5.446   3.132   5.292
    9    HB3  ASN   2           HB1      ASN   2  -3.986   2.842   4.325
   10   HD21  ASN   2          HD21      ASN   2  -6.893   4.994   4.146
   11   HD22  ASN   2          HD22      ASN   2  -5.964   6.461   3.822
   12    H    HIS   3           HN       HIS   3  -5.167   4.370   1.584
   13    HA   HIS   3           HA       HIS   3  -3.955   2.402  -0.329
   14    HB2  HIS   3           HB2      HIS   3  -4.962   5.229  -0.673
   15    HB3  HIS   3           HB1      HIS   3  -4.066   4.348  -1.924
   16    HD1  HIS   3           HD1      HIS   3  -7.444   4.826  -0.454
   17    HD2  HIS   3           HD2      HIS   3  -5.494   2.169  -3.074
   18    HE1  HIS   3           HE1      HIS   3  -9.243   3.418  -1.566
   19    H    TRP   4           HN       TRP   4  -2.605   3.216   2.118
   20    HA   TRP   4           HA       TRP   4  -0.592   5.166   1.272
   21    HB2  TRP   4           HB2      TRP   4  -1.461   3.935   3.743
   22    HB3  TRP   4           HB1      TRP   4   0.300   3.816   3.618
   23    HD1  TRP   4           HD1      TRP   4  -1.837   5.895   5.383
   24    HE1  TRP   4           HE1      TRP   4  -1.106   8.384   5.510
   25    HE3  TRP   4           HE3      TRP   4   1.469   5.926   1.480
   26    HZ2  TRP   4           HZ2      TRP   4   0.637  10.075   4.111
   27    HZ3  TRP   4           HZ3      TRP   4   2.616   8.017   0.924
   28    HH2  TRP   4           HH2      TRP   4   2.213  10.072   2.233
   29    H    ALA   5           HN       ALA   5  -0.253   1.844   2.589
   30    HA   ALA   5           HA       ALA   5   1.814   1.332   0.465
   31    HB1  ALA   5           HB1      ALA   5   2.015   0.605   3.400
   32    HB2  ALA   5           HB2      ALA   5   2.961   1.860   2.563
   33    HB3  ALA   5           HB3      ALA   5   3.171   0.147   2.127
   34    H    VAL   6           HN       VAL   6   0.022   0.311  -0.640
   35    HA   VAL   6           HA       VAL   6  -0.445  -2.457   0.444
   36    HB   VAL   6           HB       VAL   6  -2.510  -1.131   0.636
   37   HG11  VAL   6          HG11      VAL   6  -2.384  -0.852  -2.376
   38   HG12  VAL   6          HG12      VAL   6  -1.965   0.449  -1.236
   39   HG13  VAL   6          HG13      VAL   6  -3.624  -0.195  -1.282
   40   HG21  VAL   6          HG21      VAL   6  -2.723  -3.096  -1.659
   41   HG22  VAL   6          HG22      VAL   6  -3.968  -2.698  -0.450
   42   HG23  VAL   6          HG23      VAL   6  -2.504  -3.585   0.039
   43    H    GLY   7           HN       GLY   7  -0.232  -4.132  -0.924
   44    HA2  GLY   7           HA2      GLY   7  -0.211  -5.061  -3.145
   45    HA3  GLY   7           HA1      GLY   7   0.239  -3.486  -3.819
   46    H    HIS   8           HN       HIS   8   1.792  -4.647  -0.907
   47    HA   HIS   8           HA       HIS   8   4.326  -4.952  -2.478
   48    HB2  HIS   8           HB2      HIS   8   3.666  -4.260   0.364
   49    HB3  HIS   8           HB1      HIS   8   5.255  -4.945  -0.011
   50    HD1  HIS   8           HD1      HIS   8   3.525  -1.789   0.289
   51    HD2  HIS   8           HD2      HIS   8   6.431  -3.328  -2.337
   52    HE1  HIS   8           HE1      HIS   8   4.756   0.196  -0.713
   53    H    LEU   9           HN       LEU   9   2.135  -6.982  -2.289
   54    HA   LEU   9           HA       LEU   9   3.903  -9.220  -1.413
   55    HB2  LEU   9           HB2      LEU   9   1.921 -10.322  -0.356
   56    HB3  LEU   9           HB1      LEU   9   2.584  -8.946   0.532
   57    HG   LEU   9           HG       LEU   9   0.280  -8.479  -1.328
   58   HD11  LEU   9          HD11      LEU   9   0.100  -9.792   1.394
   59   HD12  LEU   9          HD12      LEU   9  -0.515 -10.417  -0.155
   60   HD13  LEU   9          HD13      LEU   9  -1.272  -8.991   0.594
   61   HD21  LEU   9          HD21      LEU   9  -0.309  -6.827   0.425
   62   HD22  LEU   9          HD22      LEU   9   1.327  -6.562  -0.211
   63   HD23  LEU   9          HD23      LEU   9   1.104  -7.349   1.367
   64    H    MET  10           HN       MET  10   3.281 -11.291  -2.257
   65    HA   MET  10           HA       MET  10   1.264 -11.276  -4.430
   66    HB2  MET  10           HB2      MET  10   2.767 -11.913  -6.166
   67    HB3  MET  10           HB1      MET  10   3.436 -10.450  -5.420
   68    HG2  MET  10           HG2      MET  10   4.841 -12.082  -3.991
   69    HG3  MET  10           HG1      MET  10   4.402 -13.299  -5.209
   70    HE1  MET  10           HE1      MET  10   7.137 -11.083  -4.144
   71    HE2  MET  10           HE2      MET  10   7.350 -12.782  -4.630
   72    HE3  MET  10           HE3      MET  10   8.186 -11.490  -5.524
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -10.109   5.999  -0.363
    2    H2   GLY   1           HT2      GLY   1  -9.967   6.278  -2.034
    3    H3   GLY   1           HT3      GLY   1 -10.095   7.586  -0.956
    4    HA2  GLY   1           HA2      GLY   1  -7.822   6.492  -1.939
    5    HA3  GLY   1           HA1      GLY   1  -7.967   7.647  -0.602
    6    H    ASN   2           HN       ASN   2  -6.805   7.055   1.084
    7    HA   ASN   2           HA       ASN   2  -5.859   5.727   2.721
    8    HB2  ASN   2           HB2      ASN   2  -7.948   3.629   2.107
    9    HB3  ASN   2           HB1      ASN   2  -7.140   3.969   3.652
   10   HD21  ASN   2          HD21      ASN   2  -7.508   6.311   4.483
   11   HD22  ASN   2          HD22      ASN   2  -9.165   6.906   4.333
   12    H    HIS   3           HN       HIS   3  -4.822   5.566   0.068
   13    HA   HIS   3           HA       HIS   3  -3.980   2.678  -0.074
   14    HB2  HIS   3           HB2      HIS   3  -4.088   4.866  -2.154
   15    HB3  HIS   3           HB1      HIS   3  -3.214   3.343  -2.398
   16    HD1  HIS   3           HD1      HIS   3  -5.568   1.700  -0.752
   17    HD2  HIS   3           HD2      HIS   3  -6.041   4.274  -4.049
   18    HE1  HIS   3           HE1      HIS   3  -7.684   0.982  -1.963
   19    H    TRP   4           HN       TRP   4  -2.668   3.560   1.898
   20    HA   TRP   4           HA       TRP   4  -0.308   5.118   1.119
   21    HB2  TRP   4           HB2      TRP   4  -1.601   4.263   3.573
   22    HB3  TRP   4           HB1      TRP   4   0.137   3.939   3.663
   23    HD1  TRP   4           HD1      TRP   4  -1.969   6.440   4.894
   24    HE1  TRP   4           HE1      TRP   4  -0.935   8.822   4.904
   25    HE3  TRP   4           HE3      TRP   4   1.847   5.632   1.587
   26    HZ2  TRP   4           HZ2      TRP   4   1.208  10.125   3.651
   27    HZ3  TRP   4           HZ3      TRP   4   3.342   7.495   1.033
   28    HH2  TRP   4           HH2      TRP   4   3.031   9.719   2.057
   29    H    ALA   5           HN       ALA   5  -0.562   1.960   2.801
   30    HA   ALA   5           HA       ALA   5   1.610   0.948   0.980
   31    HB1  ALA   5           HB1      ALA   5   2.558   1.568   3.176
   32    HB2  ALA   5           HB2      ALA   5   2.638  -0.184   2.873
   33    HB3  ALA   5           HB3      ALA   5   1.398   0.476   3.967
   34    H    VAL   6           HN       VAL   6   0.251  -0.222  -0.311
   35    HA   VAL   6           HA       VAL   6  -0.796  -2.700   0.967
   36    HB   VAL   6           HB       VAL   6  -2.495  -0.927  -0.815
   37   HG11  VAL   6          HG11      VAL   6  -4.259  -2.667  -0.240
   38   HG12  VAL   6          HG12      VAL   6  -2.922  -3.678   0.360
   39   HG13  VAL   6          HG13      VAL   6  -2.976  -3.197  -1.352
   40   HG21  VAL   6          HG21      VAL   6  -2.412  -0.025   1.433
   41   HG22  VAL   6          HG22      VAL   6  -2.705  -1.639   2.123
   42   HG23  VAL   6          HG23      VAL   6  -3.984  -0.822   1.196
   43    H    GLY   7           HN       GLY   7  -0.348  -4.450  -0.183
   44    HA2  GLY   7           HA2      GLY   7   0.207  -5.760  -2.011
   45    HA3  GLY   7           HA1      GLY   7  -0.375  -4.461  -3.070
   46    H    HIS   8           HN       HIS   8   2.381  -5.835  -1.371
   47    HA   HIS   8           HA       HIS   8   4.184  -3.993  -2.937
   48    HB2  HIS   8           HB2      HIS   8   4.476  -5.300  -0.234
   49    HB3  HIS   8           HB1      HIS   8   5.886  -4.734  -1.145
   50    HD1  HIS   8           HD1      HIS   8   5.654  -2.064  -1.963
   51    HD2  HIS   8           HD2      HIS   8   3.266  -3.369   1.249
   52    HE1  HIS   8           HE1      HIS   8   4.997  -0.001  -0.633
   53    H    LEU   9           HN       LEU   9   2.944  -6.368  -4.014
   54    HA   LEU   9           HA       LEU   9   4.986  -8.480  -3.955
   55    HB2  LEU   9           HB2      LEU   9   2.445  -8.711  -4.251
   56    HB3  LEU   9           HB1      LEU   9   2.722  -8.241  -5.932
   57    HG   LEU   9           HG       LEU   9   4.160 -10.573  -4.649
   58   HD11  LEU   9          HD11      LEU   9   1.753 -10.972  -4.415
   59   HD12  LEU   9          HD12      LEU   9   2.454 -12.043  -5.652
   60   HD13  LEU   9          HD13      LEU   9   1.522 -10.609  -6.142
   61   HD21  LEU   9          HD21      LEU   9   4.190 -11.305  -7.094
   62   HD22  LEU   9          HD22      LEU   9   5.200  -9.902  -6.687
   63   HD23  LEU   9          HD23      LEU   9   3.631  -9.665  -7.492
   64    H    MET  10           HN       MET  10   6.767  -8.532  -5.128
   65    HA   MET  10           HA       MET  10   7.213  -6.537  -7.218
   66    HB2  MET  10           HB2      MET  10   8.901  -8.906  -6.359
   67    HB3  MET  10           HB1      MET  10   9.421  -7.583  -7.419
   68    HG2  MET  10           HG2      MET  10   8.461  -7.126  -4.596
   69    HG3  MET  10           HG1      MET  10  10.161  -7.450  -4.986
   70    HE1  MET  10           HE1      MET  10  11.619  -5.149  -4.734
   71    HE2  MET  10           HE2      MET  10  11.662  -6.076  -6.254
   72    HE3  MET  10           HE3      MET  10  11.571  -4.299  -6.297
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -10.720   3.094   1.174
    2    H2   GLY   1           HT2      GLY   1 -10.593   4.522   0.262
    3    H3   GLY   1           HT3      GLY   1 -11.710   4.422   1.538
    4    HA2  GLY   1           HA1      GLY   1 -10.092   5.591   2.526
    5    HA3  GLY   1           HA2      GLY   1  -9.653   3.925   2.950
    6    H    ASN   2           HN       ASN   2  -7.802   6.004   2.995
    7    HA   ASN   2           HA       ASN   2  -6.307   6.314   0.587
    8    HB2  ASN   2           HB2      ASN   2  -5.633   6.512   3.517
    9    HB3  ASN   2           HB1      ASN   2  -4.364   6.704   2.290
   10   HD21  ASN   2          HD21      ASN   2  -4.123   8.640   1.271
   11   HD22  ASN   2          HD22      ASN   2  -5.242   9.993   1.463
   12    H    HIS   3           HN       HIS   3  -4.689   5.203  -0.381
   13    HA   HIS   3           HA       HIS   3  -4.160   2.451   0.718
   14    HB2  HIS   3           HB2      HIS   3  -4.303   3.577  -2.067
   15    HB3  HIS   3           HB1      HIS   3  -3.377   2.099  -1.748
   16    HD1  HIS   3           HD1      HIS   3  -6.914   3.414  -0.927
   17    HD2  HIS   3           HD2      HIS   3  -4.872  -0.142  -1.876
   18    HE1  HIS   3           HE1      HIS   3  -8.669   1.603  -1.228
   19    H    TRP   4           HN       TRP   4  -2.702   4.127   2.068
   20    HA   TRP   4           HA       TRP   4  -0.335   5.157   0.956
   21    HB2  TRP   4           HB2      TRP   4  -1.249   4.282   3.629
   22    HB3  TRP   4           HB1      TRP   4   0.512   4.297   3.437
   23    HD1  TRP   4           HD1      TRP   4  -2.022   6.466   4.725
   24    HE1  TRP   4           HE1      TRP   4  -1.400   8.981   4.564
   25    HE3  TRP   4           HE3      TRP   4   1.783   6.096   1.337
   26    HZ2  TRP   4           HZ2      TRP   4   0.464  10.540   3.170
   27    HZ3  TRP   4           HZ3      TRP   4   2.943   8.147   0.632
   28    HH2  TRP   4           HH2      TRP   4   2.289  10.346   1.542
   29    H    ALA   5           HN       ALA   5  -0.348   2.155   2.906
   30    HA   ALA   5           HA       ALA   5   1.688   1.059   0.973
   31    HB1  ALA   5           HB1      ALA   5   3.018   0.518   2.709
   32    HB2  ALA   5           HB2      ALA   5   1.670  -0.171   3.646
   33    HB3  ALA   5           HB3      ALA   5   1.983   1.576   3.685
   34    H    VAL   6           HN       VAL   6   0.401  -0.071  -0.380
   35    HA   VAL   6           HA       VAL   6  -0.761  -2.544   0.779
   36    HB   VAL   6           HB       VAL   6  -2.408  -0.655  -0.931
   37   HG11  VAL   6          HG11      VAL   6  -2.921  -3.436   0.141
   38   HG12  VAL   6          HG12      VAL   6  -2.929  -2.901  -1.557
   39   HG13  VAL   6          HG13      VAL   6  -4.217  -2.371  -0.453
   40   HG21  VAL   6          HG21      VAL   6  -3.915  -0.666   1.109
   41   HG22  VAL   6          HG22      VAL   6  -2.369   0.185   1.313
   42   HG23  VAL   6          HG23      VAL   6  -2.579  -1.449   1.986
   43    H    GLY   7           HN       GLY   7  -0.326  -4.247  -0.444
   44    HA2  GLY   7           HA2      GLY   7   0.011  -5.461  -2.411
   45    HA3  GLY   7           HA1      GLY   7  -0.198  -3.983  -3.370
   46    H    HIS   8           HN       HIS   8   2.065  -5.712  -1.212
   47    HA   HIS   8           HA       HIS   8   4.329  -4.214  -2.482
   48    HB2  HIS   8           HB2      HIS   8   4.048  -5.837   0.043
   49    HB3  HIS   8           HB1      HIS   8   5.640  -5.438  -0.626
   50    HD1  HIS   8           HD1      HIS   8   2.946  -4.136   1.517
   51    HD2  HIS   8           HD2      HIS   8   6.221  -2.626  -0.653
   52    HE1  HIS   8           HE1      HIS   8   3.322  -1.752   2.295
   53    H    LEU   9           HN       LEU   9   3.061  -5.995  -4.175
   54    HA   LEU   9           HA       LEU   9   5.284  -7.848  -4.699
   55    HB2  LEU   9           HB2      LEU   9   3.678  -9.035  -3.123
   56    HB3  LEU   9           HB1      LEU   9   2.491  -8.957  -4.432
   57    HG   LEU   9           HG       LEU   9   4.288 -10.176  -5.842
   58   HD11  LEU   9          HD11      LEU   9   6.201  -9.949  -4.378
   59   HD12  LEU   9          HD12      LEU   9   5.749 -11.664  -4.446
   60   HD13  LEU   9          HD13      LEU   9   5.305 -10.685  -3.030
   61   HD21  LEU   9          HD21      LEU   9   3.554 -12.391  -4.906
   62   HD22  LEU   9          HD22      LEU   9   2.219 -11.250  -5.201
   63   HD23  LEU   9          HD23      LEU   9   2.821 -11.508  -3.546
   64    H    MET  10           HN       MET  10   5.727  -7.605  -6.766
   65    HA   MET  10           HA       MET  10   3.961  -6.307  -8.599
   66    HB2  MET  10           HB2      MET  10   5.580  -6.952 -10.318
   67    HB3  MET  10           HB1      MET  10   6.399  -6.330  -8.873
   68    HG2  MET  10           HG2      MET  10   7.083  -8.506  -8.216
   69    HG3  MET  10           HG1      MET  10   6.004  -9.289  -9.383
   70    HE1  MET  10           HE1      MET  10   8.861 -10.292  -9.210
   71    HE2  MET  10           HE2      MET  10   9.437 -10.277 -10.894
   72    HE3  MET  10           HE3      MET  10   7.783 -10.820 -10.524
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  -9.789   3.557   6.530
    2    H2   GLY   1           HT2      GLY   1  -9.148   2.086   7.091
    3    H3   GLY   1           HT3      GLY   1 -10.737   2.152   6.488
    4    HA2  GLY   1           HA2      GLY   1  -8.749   1.282   5.075
    5    HA3  GLY   1           HA1      GLY   1 -10.125   2.153   4.371
    6    H    ASN   2           HN       ASN   2  -6.903   1.900   4.199
    7    HA   ASN   2           HA       ASN   2  -6.646   4.703   3.221
    8    HB2  ASN   2           HB2      ASN   2  -5.786   4.352   5.670
    9    HB3  ASN   2           HB1      ASN   2  -4.419   3.533   4.894
   10   HD21  ASN   2          HD21      ASN   2  -3.580   5.580   6.256
   11   HD22  ASN   2          HD22      ASN   2  -3.305   7.008   5.254
   12    H    HIS   3           HN       HIS   3  -5.243   4.972   1.537
   13    HA   HIS   3           HA       HIS   3  -4.182   2.411   0.379
   14    HB2  HIS   3           HB2      HIS   3  -5.897   3.979  -0.818
   15    HB3  HIS   3           HB1      HIS   3  -4.480   4.986  -1.155
   16    HD1  HIS   3           HD1      HIS   3  -2.782   4.156  -2.906
   17    HD2  HIS   3           HD2      HIS   3  -6.041   1.581  -2.232
   18    HE1  HIS   3           HE1      HIS   3  -2.686   2.347  -4.688
   19    H    TRP   4           HN       TRP   4  -2.740   3.639   2.465
   20    HA   TRP   4           HA       TRP   4  -0.717   5.393   1.438
   21    HB2  TRP   4           HB2      TRP   4  -1.420   4.214   3.934
   22    HB3  TRP   4           HB1      TRP   4   0.282   3.811   3.662
   23    HD1  TRP   4           HD1      TRP   4  -1.260   6.124   5.679
   24    HE1  TRP   4           HE1      TRP   4  -0.155   8.472   5.754
   25    HE3  TRP   4           HE3      TRP   4   1.492   5.818   1.379
   26    HZ2  TRP   4           HZ2      TRP   4   1.627   9.944   4.171
   27    HZ3  TRP   4           HZ3      TRP   4   2.862   7.739   0.716
   28    HH2  TRP   4           HH2      TRP   4   2.936   9.781   2.103
   29    H    ALA   5           HN       ALA   5  -0.329   1.998   2.549
   30    HA   ALA   5           HA       ALA   5   1.497   1.547   0.211
   31    HB1  ALA   5           HB1      ALA   5   2.837   2.060   2.249
   32    HB2  ALA   5           HB2      ALA   5   3.102   0.416   1.618
   33    HB3  ALA   5           HB3      ALA   5   2.077   0.666   3.052
   34    H    VAL   6           HN       VAL   6   0.476   0.109  -0.981
   35    HA   VAL   6           HA       VAL   6  -0.227  -2.480   0.284
   36    HB   VAL   6           HB       VAL   6  -2.310  -1.084   0.392
   37   HG11  VAL   6          HG11      VAL   6  -2.321  -1.295  -2.625
   38   HG12  VAL   6          HG12      VAL   6  -1.785   0.163  -1.755
   39   HG13  VAL   6          HG13      VAL   6  -3.461  -0.411  -1.585
   40   HG21  VAL   6          HG21      VAL   6  -3.769  -2.811  -0.501
   41   HG22  VAL   6          HG22      VAL   6  -2.336  -3.570   0.232
   42   HG23  VAL   6          HG23      VAL   6  -2.457  -3.420  -1.537
   43    H    GLY   7           HN       GLY   7   0.037  -4.199  -1.024
   44    HA2  GLY   7           HA2      GLY   7  -0.027  -5.140  -3.276
   45    HA3  GLY   7           HA1      GLY   7   0.577  -3.608  -3.931
   46    H    HIS   8           HN       HIS   8   1.875  -4.942  -0.957
   47    HA   HIS   8           HA       HIS   8   4.454  -5.435  -2.409
   48    HB2  HIS   8           HB2      HIS   8   3.752  -4.743   0.434
   49    HB3  HIS   8           HB1      HIS   8   5.326  -5.456   0.037
   50    HD1  HIS   8           HD1      HIS   8   3.581  -2.261   0.303
   51    HD2  HIS   8           HD2      HIS   8   6.650  -3.816  -2.124
   52    HE1  HIS   8           HE1      HIS   8   4.891  -0.283  -0.609
   53    H    LEU   9           HN       LEU   9   2.442  -7.363  -2.718
   54    HA   LEU   9           HA       LEU   9   3.535  -9.605  -1.032
   55    HB2  LEU   9           HB2      LEU   9   1.020  -8.801  -0.890
   56    HB3  LEU   9           HB1      LEU   9   0.858  -9.761  -2.362
   57    HG   LEU   9           HG       LEU   9   1.959 -11.656  -0.978
   58   HD11  LEU   9          HD11      LEU   9   2.713 -10.433   0.953
   59   HD12  LEU   9          HD12      LEU   9   1.374 -11.479   1.467
   60   HD13  LEU   9          HD13      LEU   9   1.093  -9.744   1.208
   61   HD21  LEU   9          HD21      LEU   9  -0.837 -10.656  -0.352
   62   HD22  LEU   9          HD22      LEU   9  -0.251 -12.310  -0.052
   63   HD23  LEU   9          HD23      LEU   9  -0.373 -11.697  -1.719
   64    H    MET  10           HN       MET  10   4.533 -11.189  -2.040
   65    HA   MET  10           HA       MET  10   4.147 -11.389  -5.016
   66    HB2  MET  10           HB2      MET  10   6.424 -10.618  -3.930
   67    HB3  MET  10           HB1      MET  10   6.651 -12.347  -3.637
   68    HG2  MET  10           HG2      MET  10   5.938 -11.287  -6.380
   69    HG3  MET  10           HG1      MET  10   7.609 -11.334  -5.803
   70    HE1  MET  10           HE1      MET  10   9.105 -13.391  -5.856
   71    HE2  MET  10           HE2      MET  10   8.678 -14.613  -7.078
   72    HE3  MET  10           HE3      MET  10   8.630 -12.882  -7.495
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1 -10.262   5.418  -1.738
    2    H2   GLY   1           HT2      GLY   1 -11.703   5.371  -0.837
    3    H3   GLY   1           HT3      GLY   1 -10.926   3.927  -1.282
    4    HA2  GLY   1           HA2      GLY   1 -10.426   5.718   0.891
    5    HA3  GLY   1           HA1      GLY   1 -10.095   3.982   0.735
    6    H    ASN   2           HN       ASN   2  -8.303   5.713   1.964
    7    HA   ASN   2           HA       ASN   2  -6.209   6.315  -0.054
    8    HB2  ASN   2           HB2      ASN   2  -6.885   7.775   1.989
    9    HB3  ASN   2           HB1      ASN   2  -5.909   6.635   2.936
   10   HD21  ASN   2          HD21      ASN   2  -4.117   7.805   3.458
   11   HD22  ASN   2          HD22      ASN   2  -3.076   8.590   2.267
   12    H    HIS   3           HN       HIS   3  -4.982   4.698  -0.726
   13    HA   HIS   3           HA       HIS   3  -4.282   2.527   1.224
   14    HB2  HIS   3           HB2      HIS   3  -4.309   2.692  -1.788
   15    HB3  HIS   3           HB1      HIS   3  -3.461   1.399  -0.928
   16    HD1  HIS   3           HD1      HIS   3  -5.597   0.956   1.362
   17    HD2  HIS   3           HD2      HIS   3  -6.507   1.397  -2.723
   18    HE1  HIS   3           HE1      HIS   3  -7.799  -0.245   0.951
   19    H    TRP   4           HN       TRP   4  -2.771   3.990   2.302
   20    HA   TRP   4           HA       TRP   4  -0.571   5.227   1.071
   21    HB2  TRP   4           HB2      TRP   4  -1.220   4.198   3.768
   22    HB3  TRP   4           HB1      TRP   4   0.516   4.361   3.453
   23    HD1  TRP   4           HD1      TRP   4  -2.077   6.273   4.999
   24    HE1  TRP   4           HE1      TRP   4  -1.674   8.836   4.890
   25    HE3  TRP   4           HE3      TRP   4   1.479   6.326   1.333
   26    HZ2  TRP   4           HZ2      TRP   4  -0.050  10.587   3.421
   27    HZ3  TRP   4           HZ3      TRP   4   2.413   8.485   0.620
   28    HH2  TRP   4           HH2      TRP   4   1.655  10.594   1.658
   29    H    ALA   5           HN       ALA   5  -0.209   2.177   2.914
   30    HA   ALA   5           HA       ALA   5   1.763   1.303   0.811
   31    HB1  ALA   5           HB1      ALA   5   3.122   0.384   2.461
   32    HB2  ALA   5           HB2      ALA   5   1.800   0.304   3.652
   33    HB3  ALA   5           HB3      ALA   5   2.530   1.870   3.233
   34    H    VAL   6           HN       VAL   6   0.381   0.164  -0.488
   35    HA   VAL   6           HA       VAL   6  -0.463  -2.449   0.647
   36    HB   VAL   6           HB       VAL   6  -2.386  -0.653  -0.853
   37   HG11  VAL   6          HG11      VAL   6  -2.607  -3.470   0.207
   38   HG12  VAL   6          HG12      VAL   6  -2.784  -2.921  -1.477
   39   HG13  VAL   6          HG13      VAL   6  -4.016  -2.494  -0.269
   40   HG21  VAL   6          HG21      VAL   6  -3.704  -0.775   1.294
   41   HG22  VAL   6          HG22      VAL   6  -2.187   0.145   1.411
   42   HG23  VAL   6          HG23      VAL   6  -2.271  -1.515   2.048
   43    H    GLY   7           HN       GLY   7   0.035  -4.053  -0.672
   44    HA2  GLY   7           HA2      GLY   7  -0.073  -5.031  -2.888
   45    HA3  GLY   7           HA1      GLY   7   0.220  -3.441  -3.614
   46    H    HIS   8           HN       HIS   8   1.801  -5.479  -1.104
   47    HA   HIS   8           HA       HIS   8   4.439  -4.760  -2.286
   48    HB2  HIS   8           HB2      HIS   8   3.649  -6.208   0.249
   49    HB3  HIS   8           HB1      HIS   8   5.326  -5.964  -0.274
   50    HD1  HIS   8           HD1      HIS   8   2.363  -4.233   1.268
   51    HD2  HIS   8           HD2      HIS   8   6.311  -3.374   0.091
   52    HE1  HIS   8           HE1      HIS   8   2.924  -1.925   2.161
   53    H    LEU   9           HN       LEU   9   3.056  -6.262  -4.066
   54    HA   LEU   9           HA       LEU   9   4.043  -9.063  -3.689
   55    HB2  LEU   9           HB2      LEU   9   1.624  -8.306  -4.363
   56    HB3  LEU   9           HB1      LEU   9   2.311  -8.176  -5.982
   57    HG   LEU   9           HG       LEU   9   2.687 -10.720  -4.397
   58   HD11  LEU   9          HD11      LEU   9   0.574 -11.596  -5.293
   59   HD12  LEU   9          HD12      LEU   9   0.191  -9.982  -5.938
   60   HD13  LEU   9          HD13      LEU   9   0.306 -10.236  -4.180
   61   HD21  LEU   9          HD21      LEU   9   2.562  -9.938  -7.320
   62   HD22  LEU   9          HD22      LEU   9   2.375 -11.622  -6.797
   63   HD23  LEU   9          HD23      LEU   9   3.867 -10.752  -6.439
   64    H    MET  10           HN       MET  10   5.228 -10.119  -5.303
   65    HA   MET  10           HA       MET  10   6.936  -8.243  -6.871
   66    HB2  MET  10           HB2      MET  10   8.471 -10.081  -7.078
   67    HB3  MET  10           HB1      MET  10   7.971  -9.949  -5.383
   68    HG2  MET  10           HG2      MET  10   6.185 -11.737  -6.053
   69    HG3  MET  10           HG1      MET  10   7.284 -12.056  -7.411
   70    HE1  MET  10           HE1      MET  10   6.331 -14.111  -5.152
   71    HE2  MET  10           HE2      MET  10   7.448 -14.640  -6.432
   72    HE3  MET  10           HE3      MET  10   7.831 -14.971  -4.726
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1 -11.071   6.238   0.653
    2    H2   GLY   1           HT2      GLY   1 -10.720   4.601   0.363
    3    H3   GLY   1           HT3      GLY   1  -9.569   5.798   0.005
    4    HA2  GLY   1           HA1      GLY   1 -10.323   6.064   2.665
    5    HA3  GLY   1           HA2      GLY   1  -9.915   4.369   2.343
    6    H    ASN   2           HN       ASN   2  -7.863   3.820   2.576
    7    HA   ASN   2           HA       ASN   2  -5.767   5.890   1.993
    8    HB2  ASN   2           HB2      ASN   2  -5.616   4.021   4.362
    9    HB3  ASN   2           HB1      ASN   2  -4.591   5.423   3.992
   10   HD21  ASN   2          HD21      ASN   2  -5.106   7.366   4.874
   11   HD22  ASN   2          HD22      ASN   2  -6.636   7.709   5.687
   12    H    HIS   3           HN       HIS   3  -4.550   5.152   0.418
   13    HA   HIS   3           HA       HIS   3  -3.992   2.192   0.337
   14    HB2  HIS   3           HB2      HIS   3  -3.572   2.543  -2.081
   15    HB3  HIS   3           HB1      HIS   3  -5.246   2.874  -1.602
   16    HD1  HIS   3           HD1      HIS   3  -1.969   4.791  -2.261
   17    HD2  HIS   3           HD2      HIS   3  -6.137   5.377  -2.263
   18    HE1  HIS   3           HE1      HIS   3  -2.403   7.065  -3.304
   19    H    TRP   4           HN       TRP   4  -2.561   4.065   1.993
   20    HA   TRP   4           HA       TRP   4  -0.186   5.052   0.857
   21    HB2  TRP   4           HB2      TRP   4  -1.091   4.201   3.540
   22    HB3  TRP   4           HB1      TRP   4   0.669   4.177   3.331
   23    HD1  TRP   4           HD1      TRP   4  -1.805   6.402   4.637
   24    HE1  TRP   4           HE1      TRP   4  -1.129   8.904   4.466
   25    HE3  TRP   4           HE3      TRP   4   1.957   5.942   1.212
   26    HZ2  TRP   4           HZ2      TRP   4   0.755  10.420   3.047
   27    HZ3  TRP   4           HZ3      TRP   4   3.154   7.966   0.489
   28    HH2  TRP   4           HH2      TRP   4   2.559  10.181   1.402
   29    H    ALA   5           HN       ALA   5  -0.242   2.045   2.805
   30    HA   ALA   5           HA       ALA   5   1.771   0.916   0.867
   31    HB1  ALA   5           HB1      ALA   5   2.572  -0.425   2.816
   32    HB2  ALA   5           HB2      ALA   5   1.492   0.535   3.856
   33    HB3  ALA   5           HB3      ALA   5   2.827   1.328   2.984
   34    H    VAL   6           HN       VAL   6   0.391  -0.149  -0.489
   35    HA   VAL   6           HA       VAL   6  -0.800  -2.609   0.681
   36    HB   VAL   6           HB       VAL   6  -2.395  -0.688  -1.042
   37   HG11  VAL   6          HG11      VAL   6  -4.245  -2.363  -0.557
   38   HG12  VAL   6          HG12      VAL   6  -2.969  -3.458   0.025
   39   HG13  VAL   6          HG13      VAL   6  -2.974  -2.916  -1.670
   40   HG21  VAL   6          HG21      VAL   6  -3.902  -0.612   0.968
   41   HG22  VAL   6          HG22      VAL   6  -2.309   0.131   1.227
   42   HG23  VAL   6          HG23      VAL   6  -2.645  -1.494   1.869
   43    H    GLY   7           HN       GLY   7  -0.606  -4.347  -0.592
   44    HA2  GLY   7           HA2      GLY   7  -0.157  -5.591  -2.498
   45    HA3  GLY   7           HA1      GLY   7  -0.454  -4.141  -3.476
   46    H    HIS   8           HN       HIS   8   1.958  -4.829  -0.916
   47    HA   HIS   8           HA       HIS   8   4.090  -4.097  -2.914
   48    HB2  HIS   8           HB2      HIS   8   3.820  -3.720   0.054
   49    HB3  HIS   8           HB1      HIS   8   5.426  -3.774  -0.691
   50    HD1  HIS   8           HD1      HIS   8   6.293  -1.472  -0.920
   51    HD2  HIS   8           HD2      HIS   8   2.143  -1.704  -1.569
   52    HE1  HIS   8           HE1      HIS   8   5.516   0.842  -1.630
   53    H    LEU   9           HN       LEU   9   2.776  -6.755  -2.484
   54    HA   LEU   9           HA       LEU   9   5.303  -8.264  -1.866
   55    HB2  LEU   9           HB2      LEU   9   3.963 -10.037  -0.892
   56    HB3  LEU   9           HB1      LEU   9   3.797  -8.530   0.017
   57    HG   LEU   9           HG       LEU   9   1.741  -9.231  -2.062
   58   HD11  LEU   9          HD11      LEU   9   1.949 -11.286  -0.785
   59   HD12  LEU   9          HD12      LEU   9   0.443 -10.445  -0.344
   60   HD13  LEU   9          HD13      LEU   9   1.857 -10.369   0.737
   61   HD21  LEU   9          HD21      LEU   9   1.616  -7.030  -1.015
   62   HD22  LEU   9          HD22      LEU   9   1.671  -7.779   0.598
   63   HD23  LEU   9          HD23      LEU   9   0.266  -8.043  -0.459
   64    H    MET  10           HN       MET  10   5.856  -9.866  -3.214
   65    HA   MET  10           HA       MET  10   4.032 -10.282  -5.570
   66    HB2  MET  10           HB2      MET  10   7.006 -10.133  -5.244
   67    HB3  MET  10           HB1      MET  10   6.351 -11.166  -6.528
   68    HG2  MET  10           HG2      MET  10   6.621  -9.188  -7.671
   69    HG3  MET  10           HG1      MET  10   4.962  -8.967  -7.098
   70    HE1  MET  10           HE1      MET  10   6.000  -5.354  -6.764
   71    HE2  MET  10           HE2      MET  10   4.525  -6.300  -6.450
   72    HE3  MET  10           HE3      MET  10   5.496  -6.623  -7.907
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  -4.977   7.627   1.640
    2    H2   GLY   1           HT2      GLY   1  -5.476   8.973   2.550
    3    H3   GLY   1           HT3      GLY   1  -6.278   8.572   1.105
    4    HA2  GLY   1           HA1      GLY   1  -7.069   7.898   3.557
    5    HA3  GLY   1           HA2      GLY   1  -7.560   7.098   2.052
    6    H    ASN   2           HN       ASN   2  -7.306   4.979   1.970
    7    HA   ASN   2           HA       ASN   2  -5.312   3.746   3.858
    8    HB2  ASN   2           HB2      ASN   2  -7.580   2.240   2.572
    9    HB3  ASN   2           HB1      ASN   2  -6.722   1.906   4.090
   10   HD21  ASN   2          HD21      ASN   2  -7.552   2.675   5.991
   11   HD22  ASN   2          HD22      ASN   2  -8.953   3.749   6.080
   12    H    HIS   3           HN       HIS   3  -4.757   4.857   1.164
   13    HA   HIS   3           HA       HIS   3  -3.950   2.296  -0.204
   14    HB2  HIS   3           HB2      HIS   3  -3.867   3.631  -2.274
   15    HB3  HIS   3           HB1      HIS   3  -5.490   3.568  -1.567
   16    HD1  HIS   3           HD1      HIS   3  -2.757   5.889  -2.596
   17    HD2  HIS   3           HD2      HIS   3  -6.203   6.045  -0.182
   18    HE1  HIS   3           HE1      HIS   3  -3.361   8.342  -2.310
   19    H    TRP   4           HN       TRP   4  -2.541   3.576   2.001
   20    HA   TRP   4           HA       TRP   4  -0.305   5.012   0.839
   21    HB2  TRP   4           HB2      TRP   4  -1.184   4.142   3.514
   22    HB3  TRP   4           HB1      TRP   4   0.577   4.158   3.324
   23    HD1  TRP   4           HD1      TRP   4  -1.804   6.303   4.762
   24    HE1  TRP   4           HE1      TRP   4  -1.251   8.829   4.530
   25    HE3  TRP   4           HE3      TRP   4   1.647   5.992   0.996
   26    HZ2  TRP   4           HZ2      TRP   4   0.425  10.416   2.941
   27    HZ3  TRP   4           HZ3      TRP   4   2.666   8.057   0.160
   28    HH2  TRP   4           HH2      TRP   4   2.072  10.246   1.130
   29    H    ALA   5           HN       ALA   5  -0.211   2.016   2.793
   30    HA   ALA   5           HA       ALA   5   1.847   0.970   0.855
   31    HB1  ALA   5           HB1      ALA   5   2.816   1.510   3.033
   32    HB2  ALA   5           HB2      ALA   5   2.809  -0.249   2.753
   33    HB3  ALA   5           HB3      ALA   5   1.602   0.486   3.835
   34    H    VAL   6           HN       VAL   6   0.377  -0.085  -0.469
   35    HA   VAL   6           HA       VAL   6  -0.555  -2.665   0.669
   36    HB   VAL   6           HB       VAL   6  -2.435  -0.785  -0.791
   37   HG11  VAL   6          HG11      VAL   6  -4.119  -2.589  -0.224
   38   HG12  VAL   6          HG12      VAL   6  -2.738  -3.618   0.224
   39   HG13  VAL   6          HG13      VAL   6  -2.913  -3.038  -1.449
   40   HG21  VAL   6          HG21      VAL   6  -2.202  -0.030   1.478
   41   HG22  VAL   6          HG22      VAL   6  -2.305  -1.695   2.095
   42   HG23  VAL   6          HG23      VAL   6  -3.736  -0.920   1.374
   43    H    GLY   7           HN       GLY   7  -0.354  -4.313  -0.712
   44    HA2  GLY   7           HA2      GLY   7  -0.319  -5.337  -2.839
   45    HA3  GLY   7           HA1      GLY   7  -0.255  -3.752  -3.628
   46    H    HIS   8           HN       HIS   8   1.887  -4.440  -0.956
   47    HA   HIS   8           HA       HIS   8   4.174  -4.481  -2.902
   48    HB2  HIS   8           HB2      HIS   8   4.013  -3.732   0.021
   49    HB3  HIS   8           HB1      HIS   8   5.531  -3.869  -0.885
   50    HD1  HIS   8           HD1      HIS   8   2.550  -1.656  -0.312
   51    HD2  HIS   8           HD2      HIS   8   6.039  -1.765  -2.661
   52    HE1  HIS   8           HE1      HIS   8   2.774   0.617  -1.423
   53    H    LEU   9           HN       LEU   9   2.495  -6.818  -2.251
   54    HA   LEU   9           HA       LEU   9   4.123  -8.480  -0.462
   55    HB2  LEU   9           HB2      LEU   9   1.726  -8.923  -2.208
   56    HB3  LEU   9           HB1      LEU   9   2.571 -10.302  -1.491
   57    HG   LEU   9           HG       LEU   9   1.605  -8.032   0.231
   58   HD11  LEU   9          HD11      LEU   9  -0.358  -8.682  -1.044
   59   HD12  LEU   9          HD12      LEU   9  -0.488  -9.343   0.603
   60   HD13  LEU   9          HD13      LEU   9  -0.015 -10.402  -0.747
   61   HD21  LEU   9          HD21      LEU   9   3.101  -9.659   1.271
   62   HD22  LEU   9          HD22      LEU   9   2.083 -10.995   0.685
   63   HD23  LEU   9          HD23      LEU   9   1.455  -9.866   1.907
   64    H    MET  10           HN       MET  10   4.819 -10.697  -1.264
   65    HA   MET  10           HA       MET  10   6.459 -10.265  -3.724
   66    HB2  MET  10           HB2      MET  10   7.614 -10.924  -1.651
   67    HB3  MET  10           HB1      MET  10   6.624 -12.394  -1.573
   68    HG2  MET  10           HG2      MET  10   7.606 -13.225  -3.612
   69    HG3  MET  10           HG1      MET  10   8.477 -11.699  -3.864
   70    HE1  MET  10           HE1      MET  10   9.264 -15.167  -3.216
   71    HE2  MET  10           HE2      MET  10   9.825 -15.325  -1.534
   72    HE3  MET  10           HE3      MET  10   8.115 -14.966  -1.871
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  -9.508   3.372   5.105
    2    H2   GLY   1           HT2      GLY   1 -10.881   4.212   4.556
    3    H3   GLY   1           HT3      GLY   1 -10.405   4.323   6.185
    4    HA2  GLY   1           HA1      GLY   1  -9.854   6.287   4.906
    5    HA3  GLY   1           HA2      GLY   1  -8.451   5.477   5.629
    6    H    ASN   2           HN       ASN   2  -6.895   6.128   4.219
    7    HA   ASN   2           HA       ASN   2  -7.345   5.568   1.315
    8    HB2  ASN   2           HB2      ASN   2  -5.419   6.967   0.917
    9    HB3  ASN   2           HB1      ASN   2  -6.530   7.815   2.012
   10   HD21  ASN   2          HD21      ASN   2  -3.427   6.122   1.724
   11   HD22  ASN   2          HD22      ASN   2  -2.771   6.694   3.262
   12    H    HIS   3           HN       HIS   3  -5.245   4.874   0.153
   13    HA   HIS   3           HA       HIS   3  -4.178   2.497   1.654
   14    HB2  HIS   3           HB2      HIS   3  -4.960   2.989  -1.183
   15    HB3  HIS   3           HB1      HIS   3  -3.600   1.891  -0.893
   16    HD1  HIS   3           HD1      HIS   3  -6.643   1.261  -1.979
   17    HD2  HIS   3           HD2      HIS   3  -4.799   0.235   1.652
   18    HE1  HIS   3           HE1      HIS   3  -7.966  -0.665  -0.983
   19    H    TRP   4           HN       TRP   4  -2.487   3.567   2.674
   20    HA   TRP   4           HA       TRP   4  -0.621   5.227   1.279
   21    HB2  TRP   4           HB2      TRP   4  -0.995   4.213   3.922
   22    HB3  TRP   4           HB1      TRP   4   0.678   3.854   3.473
   23    HD1  TRP   4           HD1      TRP   4  -0.810   6.282   5.447
   24    HE1  TRP   4           HE1      TRP   4   0.226   8.657   5.250
   25    HE3  TRP   4           HE3      TRP   4   1.638   5.679   1.003
   26    HZ2  TRP   4           HZ2      TRP   4   1.853  10.030   3.427
   27    HZ3  TRP   4           HZ3      TRP   4   2.912   7.571   0.088
   28    HH2  TRP   4           HH2      TRP   4   3.022   9.724   1.290
   29    H    ALA   5           HN       ALA   5  -0.010   1.941   2.592
   30    HA   ALA   5           HA       ALA   5   1.686   1.429   0.153
   31    HB1  ALA   5           HB1      ALA   5   3.141   1.771   2.052
   32    HB2  ALA   5           HB2      ALA   5   3.125   0.042   1.626
   33    HB3  ALA   5           HB3      ALA   5   2.194   0.623   3.028
   34    H    VAL   6           HN       VAL   6   0.352   0.224  -1.056
   35    HA   VAL   6           HA       VAL   6  -0.516  -2.374   0.171
   36    HB   VAL   6           HB       VAL   6  -2.469  -0.840   0.006
   37   HG11  VAL   6          HG11      VAL   6  -1.618   0.409  -2.000
   38   HG12  VAL   6          HG12      VAL   6  -3.315  -0.113  -2.126
   39   HG13  VAL   6          HG13      VAL   6  -2.041  -1.010  -2.986
   40   HG21  VAL   6          HG21      VAL   6  -2.682  -3.314  -0.198
   41   HG22  VAL   6          HG22      VAL   6  -2.560  -3.141  -1.965
   42   HG23  VAL   6          HG23      VAL   6  -3.942  -2.433  -1.097
   43    H    GLY   7           HN       GLY   7  -0.445  -4.162  -1.127
   44    HA2  GLY   7           HA2      GLY   7  -0.126  -5.303  -3.171
   45    HA3  GLY   7           HA1      GLY   7   0.339  -3.791  -3.971
   46    H    HIS   8           HN       HIS   8   1.735  -4.666  -0.881
   47    HA   HIS   8           HA       HIS   8   4.358  -5.081  -2.280
   48    HB2  HIS   8           HB2      HIS   8   3.557  -4.073   0.432
   49    HB3  HIS   8           HB1      HIS   8   5.177  -4.746   0.192
   50    HD1  HIS   8           HD1      HIS   8   3.312  -1.637   0.014
   51    HD2  HIS   8           HD2      HIS   8   6.441  -3.367  -2.210
   52    HE1  HIS   8           HE1      HIS   8   4.535   0.257  -1.156
   53    H    LEU   9           HN       LEU   9   2.219  -7.128  -1.999
   54    HA   LEU   9           HA       LEU   9   3.533  -9.039  -0.105
   55    HB2  LEU   9           HB2      LEU   9   0.898  -9.096  -1.567
   56    HB3  LEU   9           HB1      LEU   9   1.514 -10.445  -0.601
   57    HG   LEU   9           HG       LEU   9   1.215  -7.726   0.648
   58   HD11  LEU   9          HD11      LEU   9  -1.095  -8.434   1.356
   59   HD12  LEU   9          HD12      LEU   9  -0.996  -9.736   0.147
   60   HD13  LEU   9          HD13      LEU   9  -0.943  -8.035  -0.372
   61   HD21  LEU   9          HD21      LEU   9   0.811  -9.091   2.667
   62   HD22  LEU   9          HD22      LEU   9   2.363  -9.506   1.902
   63   HD23  LEU   9          HD23      LEU   9   0.951 -10.567   1.684
   64    H    MET  10           HN       MET  10   5.106 -10.226  -0.930
   65    HA   MET  10           HA       MET  10   5.574 -10.596  -3.710
   66    HB2  MET  10           HB2      MET  10   7.065 -12.475  -2.958
   67    HB3  MET  10           HB1      MET  10   7.369 -10.907  -2.190
   68    HG2  MET  10           HG2      MET  10   5.464 -12.355  -0.590
   69    HG3  MET  10           HG1      MET  10   6.850 -13.409  -0.923
   70    HE1  MET  10           HE1      MET  10   8.938 -13.329   0.885
   71    HE2  MET  10           HE2      MET  10   9.232 -12.666  -0.741
   72    HE3  MET  10           HE3      MET  10   9.828 -11.800   0.695
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1 -11.444   2.997   1.532
    2    H2   GLY   1           HT2      GLY   1 -10.177   3.425   0.484
    3    H3   GLY   1           HT3      GLY   1 -11.743   4.033   0.226
    4    HA2  GLY   1           HA1      GLY   1 -11.466   5.691   1.584
    5    HA3  GLY   1           HA2      GLY   1 -10.814   4.608   2.828
    6    H    ASN   2           HN       ASN   2  -8.541   3.957   2.652
    7    HA   ASN   2           HA       ASN   2  -6.865   5.784   0.994
    8    HB2  ASN   2           HB2      ASN   2  -7.358   6.754   3.343
    9    HB3  ASN   2           HB1      ASN   2  -6.292   5.472   3.949
   10   HD21  ASN   2          HD21      ASN   2  -4.532   6.649   4.608
   11   HD22  ASN   2          HD22      ASN   2  -3.581   7.663   3.519
   12    H    HIS   3           HN       HIS   3  -5.100   4.839   0.216
   13    HA   HIS   3           HA       HIS   3  -4.254   2.232   1.461
   14    HB2  HIS   3           HB2      HIS   3  -3.663   1.550  -0.904
   15    HB3  HIS   3           HB1      HIS   3  -5.388   1.598  -0.515
   16    HD1  HIS   3           HD1      HIS   3  -2.758   3.108  -2.719
   17    HD2  HIS   3           HD2      HIS   3  -6.748   3.902  -1.634
   18    HE1  HIS   3           HE1      HIS   3  -3.715   4.675  -4.476
   19    H    TRP   4           HN       TRP   4  -2.797   3.744   2.615
   20    HA   TRP   4           HA       TRP   4  -0.830   5.308   1.357
   21    HB2  TRP   4           HB2      TRP   4  -1.134   3.924   3.955
   22    HB3  TRP   4           HB1      TRP   4   0.545   4.281   3.514
   23    HD1  TRP   4           HD1      TRP   4  -2.043   5.762   5.491
   24    HE1  TRP   4           HE1      TRP   4  -1.854   8.346   5.659
   25    HE3  TRP   4           HE3      TRP   4   1.147   6.550   1.579
   26    HZ2  TRP   4           HZ2      TRP   4  -0.516  10.391   4.287
   27    HZ3  TRP   4           HZ3      TRP   4   1.839   8.852   1.061
   28    HH2  TRP   4           HH2      TRP   4   1.015  10.753   2.404
   29    H    ALA   5           HN       ALA   5  -0.058   2.111   2.776
   30    HA   ALA   5           HA       ALA   5   1.773   1.661   0.427
   31    HB1  ALA   5           HB1      ALA   5   2.904   2.018   2.623
   32    HB2  ALA   5           HB2      ALA   5   3.223   0.428   1.892
   33    HB3  ALA   5           HB3      ALA   5   2.063   0.574   3.237
   34    H    VAL   6           HN       VAL   6   0.337   0.583  -0.878
   35    HA   VAL   6           HA       VAL   6  -0.509  -2.109   0.177
   36    HB   VAL   6           HB       VAL   6  -2.447  -0.581  -0.147
   37   HG11  VAL   6          HG11      VAL   6  -3.096  -0.034  -2.495
   38   HG12  VAL   6          HG12      VAL   6  -1.498  -0.571  -3.034
   39   HG13  VAL   6          HG13      VAL   6  -1.642   0.824  -1.939
   40   HG21  VAL   6          HG21      VAL   6  -2.629  -3.045  -0.412
   41   HG22  VAL   6          HG22      VAL   6  -2.314  -2.853  -2.154
   42   HG23  VAL   6          HG23      VAL   6  -3.787  -2.158  -1.434
   43    H    GLY   7           HN       GLY   7  -0.379  -3.858  -1.193
   44    HA2  GLY   7           HA2      GLY   7   0.152  -4.935  -3.228
   45    HA3  GLY   7           HA1      GLY   7   0.750  -3.410  -3.905
   46    H    HIS   8           HN       HIS   8   1.472  -5.769  -1.295
   47    HA   HIS   8           HA       HIS   8   4.396  -5.352  -1.906
   48    HB2  HIS   8           HB2      HIS   8   3.103  -6.210   0.695
   49    HB3  HIS   8           HB1      HIS   8   4.840  -6.010   0.401
   50    HD1  HIS   8           HD1      HIS   8   4.472  -3.267  -1.276
   51    HD2  HIS   8           HD2      HIS   8   3.159  -4.155   2.624
   52    HE1  HIS   8           HE1      HIS   8   4.085  -1.051  -0.095
   53    H    LEU   9           HN       LEU   9   3.297  -7.016  -3.619
   54    HA   LEU   9           HA       LEU   9   3.507  -9.779  -2.501
   55    HB2  LEU   9           HB2      LEU   9   2.409  -8.579  -5.017
   56    HB3  LEU   9           HB1      LEU   9   2.851 -10.293  -4.985
   57    HG   LEU   9           HG       LEU   9   1.298 -10.548  -3.024
   58   HD11  LEU   9          HD11      LEU   9   0.519  -7.733  -3.829
   59   HD12  LEU   9          HD12      LEU   9   1.187  -8.245  -2.260
   60   HD13  LEU   9          HD13      LEU   9  -0.439  -8.776  -2.753
   61   HD21  LEU   9          HD21      LEU   9   0.076  -9.523  -5.605
   62   HD22  LEU   9          HD22      LEU   9  -0.729 -10.568  -4.410
   63   HD23  LEU   9          HD23      LEU   9   0.669 -11.177  -5.328
   64    H    MET  10           HN       MET  10   5.614 -10.287  -2.258
   65    HA   MET  10           HA       MET  10   7.727  -9.428  -3.960
   66    HB2  MET  10           HB2      MET  10   9.017 -11.282  -2.957
   67    HB3  MET  10           HB1      MET  10   8.138 -10.338  -1.740
   68    HG2  MET  10           HG2      MET  10   6.329 -12.116  -1.869
   69    HG3  MET  10           HG1      MET  10   7.482 -13.086  -2.807
   70    HE1  MET  10           HE1      MET  10   7.109 -14.972  -1.053
   71    HE2  MET  10           HE2      MET  10   6.117 -14.015   0.073
   72    HE3  MET  10           HE3      MET  10   7.554 -14.882   0.668
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  -9.587   2.366   2.230
    2    H2   GLY   1           HT2      GLY   1 -11.169   2.223   2.836
    3    H3   GLY   1           HT3      GLY   1  -9.835   1.953   3.854
    4    HA2  GLY   1           HA1      GLY   1 -10.998   4.426   2.897
    5    HA3  GLY   1           HA2      GLY   1 -10.342   4.013   4.492
    6    H    ASN   2           HN       ASN   2  -7.861   3.327   4.266
    7    HA   ASN   2           HA       ASN   2  -6.580   5.664   2.883
    8    HB2  ASN   2           HB2      ASN   2  -4.676   5.184   4.438
    9    HB3  ASN   2           HB1      ASN   2  -6.178   5.673   5.247
   10   HD21  ASN   2          HD21      ASN   2  -7.489   4.019   6.297
   11   HD22  ASN   2          HD22      ASN   2  -6.715   2.531   6.850
   12    H    HIS   3           HN       HIS   3  -5.097   5.419   1.340
   13    HA   HIS   3           HA       HIS   3  -4.233   2.601   0.704
   14    HB2  HIS   3           HB2      HIS   3  -4.899   4.882  -1.163
   15    HB3  HIS   3           HB1      HIS   3  -4.128   3.366  -1.662
   16    HD1  HIS   3           HD1      HIS   3  -7.290   4.893  -1.810
   17    HD2  HIS   3           HD2      HIS   3  -5.927   1.062  -0.720
   18    HE1  HIS   3           HE1      HIS   3  -9.294   3.333  -1.888
   19    H    TRP   4           HN       TRP   4  -2.545   3.416   2.355
   20    HA   TRP   4           HA       TRP   4  -0.575   5.253   1.196
   21    HB2  TRP   4           HB2      TRP   4  -1.190   4.166   3.800
   22    HB3  TRP   4           HB1      TRP   4   0.530   3.910   3.465
   23    HD1  TRP   4           HD1      TRP   4  -1.227   6.200   5.385
   24    HE1  TRP   4           HE1      TRP   4  -0.309   8.628   5.321
   25    HE3  TRP   4           HE3      TRP   4   1.576   5.850   1.121
   26    HZ2  TRP   4           HZ2      TRP   4   1.370  10.135   3.658
   27    HZ3  TRP   4           HZ3      TRP   4   2.799   7.829   0.347
   28    HH2  TRP   4           HH2      TRP   4   2.704   9.950   1.608
   29    H    ALA   5           HN       ALA   5  -0.230   1.955   2.572
   30    HA   ALA   5           HA       ALA   5   1.566   1.303   0.246
   31    HB1  ALA   5           HB1      ALA   5   2.884  -0.086   1.901
   32    HB2  ALA   5           HB2      ALA   5   1.999   0.768   3.188
   33    HB3  ALA   5           HB3      ALA   5   3.042   1.678   2.072
   34    H    VAL   6           HN       VAL   6   0.382  -0.030  -0.946
   35    HA   VAL   6           HA       VAL   6  -0.470  -2.573   0.336
   36    HB   VAL   6           HB       VAL   6  -2.373  -0.883  -1.314
   37   HG11  VAL   6          HG11      VAL   6  -2.749  -3.197  -1.791
   38   HG12  VAL   6          HG12      VAL   6  -4.003  -2.698  -0.633
   39   HG13  VAL   6          HG13      VAL   6  -2.596  -3.633  -0.073
   40   HG21  VAL   6          HG21      VAL   6  -2.312  -1.556   1.641
   41   HG22  VAL   6          HG22      VAL   6  -3.728  -0.869   0.810
   42   HG23  VAL   6          HG23      VAL   6  -2.215   0.059   0.900
   43    H    GLY   7           HN       GLY   7   0.086  -4.246  -0.865
   44    HA2  GLY   7           HA2      GLY   7  -0.018  -5.343  -3.044
   45    HA3  GLY   7           HA1      GLY   7   0.362  -3.805  -3.835
   46    H    HIS   8           HN       HIS   8   1.967  -4.918  -0.894
   47    HA   HIS   8           HA       HIS   8   4.515  -5.069  -2.460
   48    HB2  HIS   8           HB2      HIS   8   3.945  -4.743   0.491
   49    HB3  HIS   8           HB1      HIS   8   5.568  -4.977  -0.182
   50    HD1  HIS   8           HD1      HIS   8   2.844  -2.442   0.305
   51    HD2  HIS   8           HD2      HIS   8   6.634  -2.744  -1.499
   52    HE1  HIS   8           HE1      HIS   8   3.541  -0.093  -0.368
   53    H    LEU   9           HN       LEU   9   2.519  -7.206  -2.535
   54    HA   LEU   9           HA       LEU   9   3.314  -9.333  -0.775
   55    HB2  LEU   9           HB2      LEU   9   1.227  -8.991  -2.349
   56    HB3  LEU   9           HB1      LEU   9   2.218  -9.869  -3.517
   57    HG   LEU   9           HG       LEU   9   0.682 -11.364  -2.373
   58   HD11  LEU   9          HD11      LEU   9   2.922 -12.182  -3.039
   59   HD12  LEU   9          HD12      LEU   9   2.254 -13.055  -1.641
   60   HD13  LEU   9          HD13      LEU   9   3.518 -11.825  -1.403
   61   HD21  LEU   9          HD21      LEU   9   2.095 -10.978   0.261
   62   HD22  LEU   9          HD22      LEU   9   0.459 -11.570  -0.081
   63   HD23  LEU   9          HD23      LEU   9   0.814  -9.834  -0.206
   64    H    MET  10           HN       MET  10   5.417  -9.878  -0.675
   65    HA   MET  10           HA       MET  10   6.889 -10.257  -3.236
   66    HB2  MET  10           HB2      MET  10   7.714  -9.011  -1.051
   67    HB3  MET  10           HB1      MET  10   8.132 -10.647  -0.518
   68    HG2  MET  10           HG2      MET  10   9.039  -9.731  -3.237
   69    HG3  MET  10           HG1      MET  10   9.882  -9.147  -1.798
   70    HE1  MET  10           HE1      MET  10   8.966 -12.271  -4.004
   71    HE2  MET  10           HE2      MET  10  10.395 -11.326  -4.485
   72    HE3  MET  10           HE3      MET  10  10.586 -13.005  -3.925
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1 -11.542   4.241   4.849
    2    H2   GLY   1           HT2      GLY   1 -11.464   2.623   4.335
    3    H3   GLY   1           HT3      GLY   1 -11.160   3.884   3.236
    4    HA2  GLY   1           HA1      GLY   1  -9.498   4.013   5.528
    5    HA3  GLY   1           HA2      GLY   1  -9.330   2.489   4.636
    6    H    ASN   2           HN       ASN   2  -7.103   3.673   4.544
    7    HA   ASN   2           HA       ASN   2  -7.073   5.401   2.077
    8    HB2  ASN   2           HB2      ASN   2  -4.922   6.233   2.864
    9    HB3  ASN   2           HB1      ASN   2  -6.179   6.498   4.087
   10   HD21  ASN   2          HD21      ASN   2  -5.490   6.147   6.111
   11   HD22  ASN   2          HD22      ASN   2  -4.311   4.916   6.578
   12    H    HIS   3           HN       HIS   3  -4.932   5.214   0.864
   13    HA   HIS   3           HA       HIS   3  -4.226   2.292   0.628
   14    HB2  HIS   3           HB2      HIS   3  -4.547   4.382  -1.541
   15    HB3  HIS   3           HB1      HIS   3  -3.862   2.766  -1.789
   16    HD1  HIS   3           HD1      HIS   3  -5.663   0.779  -0.711
   17    HD2  HIS   3           HD2      HIS   3  -7.088   4.348  -2.427
   18    HE1  HIS   3           HE1      HIS   3  -8.112   0.410  -1.275
   19    H    TRP   4           HN       TRP   4  -2.863   4.046   2.359
   20    HA   TRP   4           HA       TRP   4  -0.637   5.371   1.268
   21    HB2  TRP   4           HB2      TRP   4  -1.339   4.126   3.854
   22    HB3  TRP   4           HB1      TRP   4   0.405   4.278   3.578
   23    HD1  TRP   4           HD1      TRP   4  -2.174   6.110   5.244
   24    HE1  TRP   4           HE1      TRP   4  -1.711   8.663   5.358
   25    HE3  TRP   4           HE3      TRP   4   1.443   6.391   1.649
   26    HZ2  TRP   4           HZ2      TRP   4  -0.025  10.494   4.068
   27    HZ3  TRP   4           HZ3      TRP   4   2.436   8.580   1.137
   28    HH2  TRP   4           HH2      TRP   4   1.710  10.612   2.340
   29    H    ALA   5           HN       ALA   5  -0.354   2.153   2.818
   30    HA   ALA   5           HA       ALA   5   1.654   1.454   0.682
   31    HB1  ALA   5           HB1      ALA   5   2.739   1.720   2.830
   32    HB2  ALA   5           HB2      ALA   5   2.694  -0.006   2.394
   33    HB3  ALA   5           HB3      ALA   5   1.552   0.639   3.597
   34    H    VAL   6           HN       VAL   6   0.414   0.374  -0.755
   35    HA   VAL   6           HA       VAL   6  -0.843  -2.150   0.290
   36    HB   VAL   6           HB       VAL   6  -2.607  -0.497  -0.258
   37   HG11  VAL   6          HG11      VAL   6  -2.929   0.353  -2.463
   38   HG12  VAL   6          HG12      VAL   6  -1.649  -0.697  -3.120
   39   HG13  VAL   6          HG13      VAL   6  -1.226   0.660  -2.046
   40   HG21  VAL   6          HG21      VAL   6  -2.933  -2.955  -0.556
   41   HG22  VAL   6          HG22      VAL   6  -2.462  -2.768  -2.261
   42   HG23  VAL   6          HG23      VAL   6  -3.934  -1.973  -1.653
   43    H    GLY   7           HN       GLY   7  -0.605  -3.970  -0.916
   44    HA2  GLY   7           HA2      GLY   7   0.164  -5.296  -2.667
   45    HA3  GLY   7           HA1      GLY   7   0.484  -3.838  -3.624
   46    H    HIS   8           HN       HIS   8   1.821  -6.402  -1.845
   47    HA   HIS   8           HA       HIS   8   4.520  -5.064  -1.936
   48    HB2  HIS   8           HB2      HIS   8   3.467  -7.016   0.128
   49    HB3  HIS   8           HB1      HIS   8   5.137  -6.431   0.022
   50    HD1  HIS   8           HD1      HIS   8   5.339  -3.649   0.176
   51    HD2  HIS   8           HD2      HIS   8   1.802  -5.437   1.593
   52    HE1  HIS   8           HE1      HIS   8   4.259  -2.001   1.777
   53    H    LEU   9           HN       LEU   9   3.514  -6.410  -4.130
   54    HA   LEU   9           HA       LEU   9   5.027  -9.008  -4.023
   55    HB2  LEU   9           HB2      LEU   9   2.507  -9.055  -4.437
   56    HB3  LEU   9           HB1      LEU   9   2.860  -8.292  -5.991
   57    HG   LEU   9           HG       LEU   9   4.309 -10.241  -6.556
   58   HD11  LEU   9          HD11      LEU   9   3.356 -11.134  -3.841
   59   HD12  LEU   9          HD12      LEU   9   4.981 -11.245  -4.560
   60   HD13  LEU   9          HD13      LEU   9   3.697 -12.340  -5.102
   61   HD21  LEU   9          HD21      LEU   9   2.468 -11.742  -7.079
   62   HD22  LEU   9          HD22      LEU   9   1.928 -10.057  -7.272
   63   HD23  LEU   9          HD23      LEU   9   1.459 -10.983  -5.827
   64    H    MET  10           HN       MET  10   4.300  -6.073  -5.882
   65    HA   MET  10           HA       MET  10   6.871  -6.517  -7.366
   66    HB2  MET  10           HB2      MET  10   5.800  -5.638  -9.411
   67    HB3  MET  10           HB1      MET  10   5.095  -7.177  -8.884
   68    HG2  MET  10           HG2      MET  10   3.150  -6.076  -8.030
   69    HG3  MET  10           HG1      MET  10   3.889  -4.476  -8.243
   70    HE1  MET  10           HE1      MET  10   0.879  -4.624 -10.697
   71    HE2  MET  10           HE2      MET  10   1.258  -4.738  -8.963
   72    HE3  MET  10           HE3      MET  10   0.911  -6.213  -9.896