*HEADER    HORMONE                                 05-MAR-15   2N0F              
*TITLE     NMR STRUCTURE OF NEUROMEDIN C IN 60% 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    19                                                                    
*AUTHOR    M.ADROVER, P.SANCHIS, B.VILANOVA, K.PAUWELS, G.MARTORELL, J.PEREZ     
*REVDAT   1   21-OCT-15 2N0F    0                                                


  7 GLY  H       7 GLY  QA      2.51 
  5 ALA  H       5 ALA  QB      3.11 
 10 MET  H      10 MET  HG2     4.52 
 10 MET  H      10 MET  HG3     4.52 
 10 MET  H      10 MET  HB2     3.91 
 10 MET  H      10 MET  HB3     3.91 
  6 VAL  H       6 VAL  HB      3.06 
  9 LEU  H       9 LEU  QD2     4.26 
  4 TRP  H       4 TRP  QB      2.94 
  8 HIS  H       8 HIS  HB2     3.61 
  8 HIS  H       8 HIS  HB3     3.70 
  9 LEU  H       9 LEU  HG      3.31 
 10 MET  H      10 MET  QE      3.76 
  6 VAL  H       6 VAL  QG2     3.08 
  9 LEU  H       9 LEU  QD1     4.20 
  4 TRP  QB      4 TRP  HE1     4.73 
  4 TRP  HZ2     5 ALA  QB      5.04 
  4 TRP  H       4 TRP  HD1     3.56 
  4 TRP  HD1     5 ALA  H       4.16 
  4 TRP  HH2     5 ALA  HA      4.85 
  4 TRP  QB      4 TRP  HD1     2.69 
  4 TRP  HD1     5 ALA  QB      4.69 
  4 TRP  HH2     5 ALA  QB      4.90 
  5 ALA  QB      6 VAL  H       3.40 
  4 TRP  HD1     6 VAL  QG2     5.50 
  4 TRP  HH2     9 LEU  QD1     5.21 
  4 TRP  H       5 ALA  H       3.56 
  7 GLY  H       8 HIS  H       3.81 
  4 TRP  HE3     5 ALA  H       4.24 
  6 VAL  HB      7 GLY  H       3.50 
  5 ALA  H       6 VAL  QG2     4.04 
  6 VAL  QG2     7 GLY  H       4.49 
  6 VAL  QG1     7 GLY  H       4.08 
  4 TRP  QB      5 ALA  H       3.64 
  4 TRP  HA      7 GLY  H       4.24 
  6 VAL  HA      9 LEU  H       5.19 
  7 GLY  QA      9 LEU  H       5.49 
  8 HIS  HB2     9 LEU  H       3.82 
  8 HIS  HB3     9 LEU  H       3.82 
  7 GLY  QA      8 HIS  H       3.26 
  3 HIS  HA      3 HIS  QB      2.78 
  3 HIS  QB      4 TRP  QB      4.50 
  6 VAL  HA      6 VAL  HB      3.02 
  5 ALA  QB      6 VAL  HA      4.19 
  6 VAL  HA      6 VAL  QG2     3.01 
  4 TRP  HA      5 ALA  HA      4.80 
  5 ALA  HA      6 VAL  HA      4.81 
  5 ALA  H       6 VAL  H       3.39 
  6 VAL  H       7 GLY  H       3.60 
  4 TRP  HE3     8 HIS  H       4.55 
  8 HIS  H       8 HIS  HD2     4.04 
  8 HIS  H       9 LEU  H       3.64 
  7 GLY  H      10 MET  H       4.76 
  7 GLY  H       9 LEU  H       4.42 
  4 TRP  H       6 VAL  H       4.77 
  6 VAL  H       8 HIS  H       5.41 
  5 ALA  QB      9 LEU  QD1     4.33 
  4 TRP  HA      4 TRP  HE3     4.34 
  4 TRP  QB      6 VAL  H       4.89 
  4 TRP  QB      4 TRP  HE3     3.05 
  4 TRP  HE3     5 ALA  HA      3.64 
  3 HIS  QB      4 TRP  H       3.72 
  4 TRP  H       5 ALA  QB      4.56 
  4 TRP  HE3     5 ALA  QB      4.31 
  4 TRP  HZ3     5 ALA  QB      4.25 
  4 TRP  HZ3     9 LEU  QD2     4.36 
  4 TRP  HZ3     9 LEU  HG      5.04 
  8 HIS  HB2     8 HIS  HD2     3.52 
  7 GLY  QA      8 HIS  HD2     4.30 
  4 TRP  HZ3     5 ALA  HA      4.13 
  3 HIS  HA      3 HIS  HD2     3.91 
  3 HIS  QB      3 HIS  HD2     3.22 
  8 HIS  HA      8 HIS  HD2     3.47 
  4 TRP  QB      7 GLY  QA      5.50 
  4 TRP  QB      5 ALA  HA      4.65 
  4 TRP  QB      4 TRP  HZ3     5.36 
  4 TRP  QB      8 HIS  HD2     5.50 
  4 TRP  QB      5 ALA  QB      4.63 
  5 ALA  HA      8 HIS  HB3     4.60 
  3 HIS  QB      5 ALA  H       4.68 
  5 ALA  HA      8 HIS  HB2     4.22 
  3 HIS  QB      6 VAL  HA      5.12 
  4 TRP  HA      4 TRP  QB      2.68 
  7 GLY  QA      8 HIS  HA      4.22 
  4 TRP  HZ3     8 HIS  HB2     4.53 
  4 TRP  HZ3     8 HIS  HB3     4.63 
  5 ALA  QB      6 VAL  HB      5.29 
  9 LEU  HB2     9 LEU  QD2     3.84 
  3 HIS  QB      6 VAL  HB      4.50 
  3 HIS  QB      6 VAL  QG2     4.28 
  9 LEU  HB3     9 LEU  QD2     3.84 
  9 LEU  HB3     9 LEU  QD1     3.51 
  9 LEU  HB2     9 LEU  QD1     3.51 
  9 LEU  HA      9 LEU  QD2     3.33 
  9 LEU  HA      9 LEU  QD1     4.14 
  5 ALA  QB      6 VAL  QG2     4.11 
  6 VAL  HA      6 VAL  QG1     3.09 
  6 VAL  HA     10 MET  H       4.47 
  7 GLY  QA     10 MET  H       5.04 
  4 TRP  HA      5 ALA  QB      5.04 
  6 VAL  H       6 VAL  QG1     3.90 
  9 LEU  QD1    10 MET  H       5.43 
  4 TRP  HA      6 VAL  H       4.18 
  9 LEU  H       9 LEU  QB      3.15 
  9 LEU  QB      9 LEU  QD2     3.32 
 10 MET  H      10 MET  QB      3.21 
 10 MET  H      10 MET  QG      3.83 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  -6.734   0.088   4.688
    2    H2   GLY   1           HT2      GLY   1  -7.448   1.273   5.676
    3    H3   GLY   1           HT3      GLY   1  -5.762   1.237   5.468
    4    HA2  GLY   1           HA1      GLY   1  -7.857   2.111   3.641
    5    HA3  GLY   1           HA2      GLY   1  -6.346   2.919   4.100
    6    H    ASN   2           HN       ASN   2  -6.170   3.233   1.746
    7    HA   ASN   2           HA       ASN   2  -5.033   0.771   0.427
    8    HB2  ASN   2           HB2      ASN   2  -6.552   3.113  -0.739
    9    HB3  ASN   2           HB1      ASN   2  -5.619   1.964  -1.723
   10   HD21  ASN   2          HD21      ASN   2  -8.258   2.160   0.713
   11   HD22  ASN   2          HD22      ASN   2  -9.135   0.755   0.099
   12    H    HIS   3           HN       HIS   3  -3.289   1.963   2.011
   13    HA   HIS   3           HA       HIS   3  -1.920   4.234   0.952
   14    HB2  HIS   3           HB2      HIS   3  -1.264   2.021   2.849
   15    HB3  HIS   3           HB1      HIS   3   0.091   2.968   2.214
   16    HD1  HIS   3           HD1      HIS   3  -2.284   2.820   4.908
   17    HD2  HIS   3           HD2      HIS   3  -0.308   5.842   2.815
   18    HE1  HIS   3           HE1      HIS   3  -2.524   4.929   6.301
   19    H    TRP   4           HN       TRP   4   0.578   3.900   0.404
   20    HA   TRP   4           HA       TRP   4   0.545   2.623  -2.229
   21    HB2  TRP   4           HB2      TRP   4   2.778   3.533  -2.470
   22    HB3  TRP   4           HB1      TRP   4   1.704   4.763  -1.785
   23    HD1  TRP   4           HD1      TRP   4   2.111   5.434   0.819
   24    HE1  TRP   4           HE1      TRP   4   4.190   5.223   2.361
   25    HE3  TRP   4           HE3      TRP   4   4.774   2.076  -1.956
   26    HZ2  TRP   4           HZ2      TRP   4   6.606   3.801   2.349
   27    HZ3  TRP   4           HZ3      TRP   4   6.969   1.332  -1.129
   28    HH2  TRP   4           HH2      TRP   4   7.873   2.188   1.004
   29    H    ALA   5           HN       ALA   5   2.051   1.999   0.934
   30    HA   ALA   5           HA       ALA   5   3.692  -0.175   0.027
   31    HB1  ALA   5           HB1      ALA   5   4.387  -0.226   2.185
   32    HB2  ALA   5           HB2      ALA   5   2.731  -0.316   2.832
   33    HB3  ALA   5           HB3      ALA   5   3.420   1.246   2.353
   34    H    VAL   6           HN       VAL   6   0.319   0.114   0.489
   35    HA   VAL   6           HA       VAL   6  -0.254  -2.606   1.250
   36    HB   VAL   6           HB       VAL   6  -2.091  -0.805  -0.348
   37   HG11  VAL   6          HG11      VAL   6  -2.571  -2.983   1.702
   38   HG12  VAL   6          HG12      VAL   6  -2.864  -3.095  -0.051
   39   HG13  VAL   6          HG13      VAL   6  -3.839  -1.990   0.947
   40   HG21  VAL   6          HG21      VAL   6  -1.598  -0.792   2.650
   41   HG22  VAL   6          HG22      VAL   6  -2.871   0.124   1.801
   42   HG23  VAL   6          HG23      VAL   6  -1.159   0.476   1.485
   43    H    GLY   7           HN       GLY   7   0.559  -1.047  -1.761
   44    HA2  GLY   7           HA2      GLY   7  -0.503  -3.262  -3.399
   45    HA3  GLY   7           HA1      GLY   7   0.396  -1.841  -3.961
   46    H    HIS   8           HN       HIS   8   2.747  -1.868  -2.737
   47    HA   HIS   8           HA       HIS   8   4.129  -4.016  -4.074
   48    HB2  HIS   8           HB2      HIS   8   4.823  -1.680  -2.390
   49    HB3  HIS   8           HB1      HIS   8   5.996  -3.007  -2.329
   50    HD1  HIS   8           HD1      HIS   8   7.813  -2.726  -3.966
   51    HD2  HIS   8           HD2      HIS   8   4.161  -1.334  -5.436
   52    HE1  HIS   8           HE1      HIS   8   8.287  -1.761  -6.265
   53    H    LEU   9           HN       LEU   9   4.050  -3.223  -0.571
   54    HA   LEU   9           HA       LEU   9   5.140  -5.699   0.277
   55    HB2  LEU   9           HB2      LEU   9   3.129  -4.118   1.884
   56    HB3  LEU   9           HB1      LEU   9   4.476  -5.104   2.459
   57    HG   LEU   9           HG       LEU   9   4.663  -2.428   1.064
   58   HD11  LEU   9          HD11      LEU   9   5.203  -3.346   3.893
   59   HD12  LEU   9          HD12      LEU   9   3.967  -2.190   3.365
   60   HD13  LEU   9          HD13      LEU   9   5.693  -1.759   3.266
   61   HD21  LEU   9          HD21      LEU   9   7.116  -2.644   1.601
   62   HD22  LEU   9          HD22      LEU   9   6.539  -3.777   0.356
   63   HD23  LEU   9          HD23      LEU   9   6.808  -4.345   2.021
   64    H    MET  10           HN       MET  10   1.701  -4.676   0.542
   65    HA   MET  10           HA       MET  10   0.933  -7.551   0.671
   66    HB2  MET  10           HB2      MET  10  -0.328  -4.948   1.399
   67    HB3  MET  10           HB1      MET  10  -1.416  -6.269   0.949
   68    HG2  MET  10           HG2      MET  10  -1.190  -6.344   3.306
   69    HG3  MET  10           HG1      MET  10  -0.208  -7.677   2.677
   70    HE1  MET  10           HE1      MET  10   2.460  -7.628   2.555
   71    HE2  MET  10           HE2      MET  10   3.152  -7.143   4.122
   72    HE3  MET  10           HE3      MET  10   1.728  -8.211   4.069
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  -5.312   1.239   5.158
    2    H2   GLY   1           HT2      GLY   1  -4.794   2.808   5.556
    3    H3   GLY   1           HT3      GLY   1  -4.189   2.034   4.168
    4    HA2  GLY   1           HA1      GLY   1  -6.970   2.056   4.056
    5    HA3  GLY   1           HA2      GLY   1  -6.379   3.691   4.404
    6    H    ASN   2           HN       ASN   2  -5.744   0.879   2.276
    7    HA   ASN   2           HA       ASN   2  -5.116   0.787   0.059
    8    HB2  ASN   2           HB2      ASN   2  -7.310   2.252   0.076
    9    HB3  ASN   2           HB1      ASN   2  -6.215   3.557  -0.419
   10   HD21  ASN   2          HD21      ASN   2  -6.288   3.860  -2.569
   11   HD22  ASN   2          HD22      ASN   2  -6.391   2.567  -3.770
   12    H    HIS   3           HN       HIS   3  -3.275   1.947   2.014
   13    HA   HIS   3           HA       HIS   3  -1.926   4.226   0.948
   14    HB2  HIS   3           HB2      HIS   3  -1.265   2.033   2.861
   15    HB3  HIS   3           HB1      HIS   3   0.097   2.958   2.208
   16    HD1  HIS   3           HD1      HIS   3   0.738   4.471   4.072
   17    HD2  HIS   3           HD2      HIS   3  -3.374   4.474   3.344
   18    HE1  HIS   3           HE1      HIS   3  -0.270   6.179   5.658
   19    H    TRP   4           HN       TRP   4   0.578   3.900   0.401
   20    HA   TRP   4           HA       TRP   4   0.547   2.627  -2.230
   21    HB2  TRP   4           HB2      TRP   4   2.781   3.533  -2.471
   22    HB3  TRP   4           HB1      TRP   4   1.707   4.765  -1.786
   23    HD1  TRP   4           HD1      TRP   4   2.113   5.432   0.820
   24    HE1  TRP   4           HE1      TRP   4   4.193   5.218   2.361
   25    HE3  TRP   4           HE3      TRP   4   4.776   2.077  -1.961
   26    HZ2  TRP   4           HZ2      TRP   4   6.609   3.798   2.347
   27    HZ3  TRP   4           HZ3      TRP   4   6.971   1.334  -1.134
   28    HH2  TRP   4           HH2      TRP   4   7.876   2.186   1.001
   29    H    ALA   5           HN       ALA   5   2.051   1.997   0.931
   30    HA   ALA   5           HA       ALA   5   3.692  -0.176   0.022
   31    HB1  ALA   5           HB1      ALA   5   4.406  -0.187   2.169
   32    HB2  ALA   5           HB2      ALA   5   2.759  -0.355   2.824
   33    HB3  ALA   5           HB3      ALA   5   3.382   1.240   2.366
   34    H    VAL   6           HN       VAL   6   0.322   0.112   0.491
   35    HA   VAL   6           HA       VAL   6  -0.246  -2.584   1.251
   36    HB   VAL   6           HB       VAL   6  -2.090  -0.803  -0.343
   37   HG11  VAL   6          HG11      VAL   6  -2.819  -3.129  -0.020
   38   HG12  VAL   6          HG12      VAL   6  -3.846  -1.995   0.891
   39   HG13  VAL   6          HG13      VAL   6  -2.602  -2.947   1.737
   40   HG21  VAL   6          HG21      VAL   6  -2.865   0.122   1.807
   41   HG22  VAL   6          HG22      VAL   6  -1.152   0.471   1.495
   42   HG23  VAL   6          HG23      VAL   6  -1.595  -0.800   2.653
   43    H    GLY   7           HN       GLY   7   0.556  -1.043  -1.764
   44    HA2  GLY   7           HA2      GLY   7  -0.508  -3.257  -3.402
   45    HA3  GLY   7           HA1      GLY   7   0.389  -1.834  -3.965
   46    H    HIS   8           HN       HIS   8   2.739  -1.874  -2.707
   47    HA   HIS   8           HA       HIS   8   4.115  -4.024  -4.060
   48    HB2  HIS   8           HB2      HIS   8   4.825  -1.679  -2.388
   49    HB3  HIS   8           HB1      HIS   8   6.002  -3.003  -2.355
   50    HD1  HIS   8           HD1      HIS   8   7.794  -2.675  -4.010
   51    HD2  HIS   8           HD2      HIS   8   4.187  -0.984  -5.260
   52    HE1  HIS   8           HE1      HIS   8   8.219  -1.705  -6.317
   53    H    LEU   9           HN       LEU   9   3.878  -3.214  -0.566
   54    HA   LEU   9           HA       LEU   9   5.011  -5.718   0.274
   55    HB2  LEU   9           HB2      LEU   9   3.126  -4.079   1.963
   56    HB3  LEU   9           HB1      LEU   9   4.515  -5.050   2.461
   57    HG   LEU   9           HG       LEU   9   4.577  -2.379   1.042
   58   HD11  LEU   9          HD11      LEU   9   4.080  -2.146   3.391
   59   HD12  LEU   9          HD12      LEU   9   5.790  -1.710   3.144
   60   HD13  LEU   9          HD13      LEU   9   5.361  -3.298   3.809
   61   HD21  LEU   9          HD21      LEU   9   6.825  -4.248   1.822
   62   HD22  LEU   9          HD22      LEU   9   7.050  -2.555   1.318
   63   HD23  LEU   9          HD23      LEU   9   6.382  -3.744   0.174
   64    H    MET  10           HN       MET  10   1.645  -4.545   0.735
   65    HA   MET  10           HA       MET  10   0.732  -7.345   0.988
   66    HB2  MET  10           HB2      MET  10  -0.509  -4.651   1.383
   67    HB3  MET  10           HB1      MET  10  -1.549  -6.055   1.199
   68    HG2  MET  10           HG2      MET  10  -0.463  -7.133   3.099
   69    HG3  MET  10           HG1      MET  10   0.616  -5.735   3.278
   70    HE1  MET  10           HE1      MET  10  -0.041  -3.443   3.828
   71    HE2  MET  10           HE2      MET  10  -1.307  -3.090   5.029
   72    HE3  MET  10           HE3      MET  10   0.021  -4.205   5.436
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  -7.231   0.550   5.225
    2    H2   GLY   1           HT2      GLY   1  -6.358   1.853   5.878
    3    H3   GLY   1           HT3      GLY   1  -5.565   0.677   4.943
    4    HA2  GLY   1           HA1      GLY   1  -7.782   2.002   3.678
    5    HA3  GLY   1           HA2      GLY   1  -6.365   3.011   4.026
    6    H    ASN   2           HN       ASN   2  -6.269   3.183   1.660
    7    HA   ASN   2           HA       ASN   2  -5.025   0.739   0.412
    8    HB2  ASN   2           HB2      ASN   2  -6.205   3.119  -1.030
    9    HB3  ASN   2           HB1      ASN   2  -5.756   1.539  -1.705
   10   HD21  ASN   2          HD21      ASN   2  -6.874  -0.300  -0.069
   11   HD22  ASN   2          HD22      ASN   2  -8.627  -0.087   0.000
   12    H    HIS   3           HN       HIS   3  -3.300   1.969   2.006
   13    HA   HIS   3           HA       HIS   3  -1.927   4.229   0.944
   14    HB2  HIS   3           HB2      HIS   3  -1.288   2.028   2.854
   15    HB3  HIS   3           HB1      HIS   3   0.085   2.943   2.209
   16    HD1  HIS   3           HD1      HIS   3   0.700   4.310   4.215
   17    HD2  HIS   3           HD2      HIS   3  -3.410   4.316   3.496
   18    HE1  HIS   3           HE1      HIS   3  -0.295   6.057   5.766
   19    H    TRP   4           HN       TRP   4   0.575   3.898   0.405
   20    HA   TRP   4           HA       TRP   4   0.554   2.627  -2.230
   21    HB2  TRP   4           HB2      TRP   4   2.786   3.536  -2.463
   22    HB3  TRP   4           HB1      TRP   4   1.710   4.768  -1.779
   23    HD1  TRP   4           HD1      TRP   4   2.111   5.433   0.828
   24    HE1  TRP   4           HE1      TRP   4   4.188   5.218   2.374
   25    HE3  TRP   4           HE3      TRP   4   4.780   2.080  -1.949
   26    HZ2  TRP   4           HZ2      TRP   4   6.603   3.800   2.363
   27    HZ3  TRP   4           HZ3      TRP   4   6.974   1.336  -1.118
   28    HH2  TRP   4           HH2      TRP   4   7.874   2.189   1.017
   29    H    ALA   5           HN       ALA   5   2.047   1.999   0.939
   30    HA   ALA   5           HA       ALA   5   3.694  -0.172   0.032
   31    HB1  ALA   5           HB1      ALA   5   2.742  -0.333   2.835
   32    HB2  ALA   5           HB2      ALA   5   3.409   1.246   2.370
   33    HB3  ALA   5           HB3      ALA   5   4.395  -0.216   2.188
   34    H    VAL   6           HN       VAL   6   0.319   0.112   0.498
   35    HA   VAL   6           HA       VAL   6  -0.241  -2.603   1.252
   36    HB   VAL   6           HB       VAL   6  -2.086  -0.803  -0.337
   37   HG11  VAL   6          HG11      VAL   6  -2.463  -3.125   1.549
   38   HG12  VAL   6          HG12      VAL   6  -3.029  -2.954  -0.119
   39   HG13  VAL   6          HG13      VAL   6  -3.781  -1.999   1.179
   40   HG21  VAL   6          HG21      VAL   6  -1.151   0.471   1.499
   41   HG22  VAL   6          HG22      VAL   6  -1.595  -0.800   2.659
   42   HG23  VAL   6          HG23      VAL   6  -2.864   0.124   1.811
   43    H    GLY   7           HN       GLY   7   0.558  -1.044  -1.757
   44    HA2  GLY   7           HA2      GLY   7  -0.506  -3.253  -3.396
   45    HA3  GLY   7           HA1      GLY   7   0.397  -1.833  -3.957
   46    H    HIS   8           HN       HIS   8   2.748  -1.866  -2.746
   47    HA   HIS   8           HA       HIS   8   4.119  -4.023  -4.078
   48    HB2  HIS   8           HB2      HIS   8   4.819  -1.668  -2.437
   49    HB3  HIS   8           HB1      HIS   8   5.984  -2.998  -2.321
   50    HD1  HIS   8           HD1      HIS   8   7.793  -2.883  -3.987
   51    HD2  HIS   8           HD2      HIS   8   4.339  -0.929  -5.284
   52    HE1  HIS   8           HE1      HIS   8   8.319  -1.951  -6.290
   53    H    LEU   9           HN       LEU   9   4.078  -3.211  -0.579
   54    HA   LEU   9           HA       LEU   9   5.151  -5.698   0.265
   55    HB2  LEU   9           HB2      LEU   9   3.187  -4.083   1.896
   56    HB3  LEU   9           HB1      LEU   9   4.532  -5.082   2.453
   57    HG   LEU   9           HG       LEU   9   4.712  -2.407   1.060
   58   HD11  LEU   9          HD11      LEU   9   5.375  -3.355   3.859
   59   HD12  LEU   9          HD12      LEU   9   4.103  -2.204   3.394
   60   HD13  LEU   9          HD13      LEU   9   5.819  -1.757   3.217
   61   HD21  LEU   9          HD21      LEU   9   6.872  -4.357   1.912
   62   HD22  LEU   9          HD22      LEU   9   7.180  -2.653   1.498
   63   HD23  LEU   9          HD23      LEU   9   6.546  -3.767   0.265
   64    H    MET  10           HN       MET  10   1.737  -4.636   0.646
   65    HA   MET  10           HA       MET  10   0.936  -7.503   0.740
   66    HB2  MET  10           HB2      MET  10  -0.446  -4.915   1.392
   67    HB3  MET  10           HB1      MET  10  -1.337  -6.434   1.282
   68    HG2  MET  10           HG2      MET  10   0.330  -7.368   2.982
   69    HG3  MET  10           HG1      MET  10   0.809  -5.681   3.253
   70    HE1  MET  10           HE1      MET  10  -0.940  -3.897   3.272
   71    HE2  MET  10           HE2      MET  10  -2.678  -4.192   3.518
   72    HE3  MET  10           HE3      MET  10  -1.618  -3.904   4.906
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  -5.357  -0.424   5.314
    2    H2   GLY   1           HT2      GLY   1  -6.090  -1.174   3.976
    3    H3   GLY   1           HT3      GLY   1  -7.047  -0.508   5.213
    4    HA2  GLY   1           HA1      GLY   1  -7.198   1.282   4.010
    5    HA3  GLY   1           HA2      GLY   1  -5.502   1.556   4.454
    6    H    ASN   2           HN       ASN   2  -5.816   2.751   2.293
    7    HA   ASN   2           HA       ASN   2  -5.114   0.833   0.074
    8    HB2  ASN   2           HB2      ASN   2  -5.981   2.693  -1.435
    9    HB3  ASN   2           HB1      ASN   2  -7.195   1.785  -0.516
   10   HD21  ASN   2          HD21      ASN   2  -8.782   3.040   0.248
   11   HD22  ASN   2          HD22      ASN   2  -8.570   4.691   0.840
   12    H    HIS   3           HN       HIS   3  -3.263   1.916   1.989
   13    HA   HIS   3           HA       HIS   3  -1.924   4.229   0.943
   14    HB2  HIS   3           HB2      HIS   3  -1.256   2.027   2.847
   15    HB3  HIS   3           HB1      HIS   3   0.093   2.980   2.207
   16    HD1  HIS   3           HD1      HIS   3  -1.372   2.805   5.192
   17    HD2  HIS   3           HD2      HIS   3  -1.182   5.945   2.451
   18    HE1  HIS   3           HE1      HIS   3  -1.861   4.925   6.498
   19    H    TRP   4           HN       TRP   4   0.580   3.896   0.403
   20    HA   TRP   4           HA       TRP   4   0.551   2.625  -2.230
   21    HB2  TRP   4           HB2      TRP   4   2.781   3.534  -2.470
   22    HB3  TRP   4           HB1      TRP   4   1.708   4.764  -1.783
   23    HD1  TRP   4           HD1      TRP   4   2.114   5.430   0.821
   24    HE1  TRP   4           HE1      TRP   4   4.192   5.216   2.365
   25    HE3  TRP   4           HE3      TRP   4   4.778   2.077  -1.956
   26    HZ2  TRP   4           HZ2      TRP   4   6.609   3.795   2.352
   27    HZ3  TRP   4           HZ3      TRP   4   6.974   1.331  -1.129
   28    HH2  TRP   4           HH2      TRP   4   7.876   2.182   1.005
   29    H    ALA   5           HN       ALA   5   2.048   1.998   0.935
   30    HA   ALA   5           HA       ALA   5   3.693  -0.177   0.029
   31    HB1  ALA   5           HB1      ALA   5   3.393   1.243   2.369
   32    HB2  ALA   5           HB2      ALA   5   4.400  -0.203   2.181
   33    HB3  ALA   5           HB3      ALA   5   2.749  -0.347   2.832
   34    H    VAL   6           HN       VAL   6   0.318   0.112   0.494
   35    HA   VAL   6           HA       VAL   6  -0.253  -2.612   1.249
   36    HB   VAL   6           HB       VAL   6  -2.091  -0.805  -0.342
   37   HG11  VAL   6          HG11      VAL   6  -2.601  -2.948   1.738
   38   HG12  VAL   6          HG12      VAL   6  -2.824  -3.129  -0.019
   39   HG13  VAL   6          HG13      VAL   6  -3.846  -1.995   0.897
   40   HG21  VAL   6          HG21      VAL   6  -2.871   0.114   1.815
   41   HG22  VAL   6          HG22      VAL   6  -1.162   0.478   1.486
   42   HG23  VAL   6          HG23      VAL   6  -1.584  -0.794   2.652
   43    H    GLY   7           HN       GLY   7   0.556  -1.046  -1.760
   44    HA2  GLY   7           HA2      GLY   7  -0.507  -3.258  -3.397
   45    HA3  GLY   7           HA1      GLY   7   0.391  -1.837  -3.960
   46    H    HIS   8           HN       HIS   8   2.742  -1.868  -2.730
   47    HA   HIS   8           HA       HIS   8   4.120  -4.019  -4.072
   48    HB2  HIS   8           HB2      HIS   8   4.825  -1.678  -2.393
   49    HB3  HIS   8           HB1      HIS   8   6.001  -3.004  -2.353
   50    HD1  HIS   8           HD1      HIS   8   7.800  -2.690  -4.000
   51    HD2  HIS   8           HD2      HIS   8   4.119  -1.348  -5.442
   52    HE1  HIS   8           HE1      HIS   8   8.243  -1.722  -6.305
   53    H    LEU   9           HN       LEU   9   4.142  -3.199  -0.576
   54    HA   LEU   9           HA       LEU   9   5.204  -5.677   0.275
   55    HB2  LEU   9           HB2      LEU   9   3.231  -4.066   1.898
   56    HB3  LEU   9           HB1      LEU   9   4.570  -5.066   2.463
   57    HG   LEU   9           HG       LEU   9   4.769  -2.399   1.057
   58   HD11  LEU   9          HD11      LEU   9   4.119  -2.188   3.386
   59   HD12  LEU   9          HD12      LEU   9   5.831  -1.720   3.220
   60   HD13  LEU   9          HD13      LEU   9   5.402  -3.317   3.873
   61   HD21  LEU   9          HD21      LEU   9   6.615  -3.755   0.301
   62   HD22  LEU   9          HD22      LEU   9   6.905  -4.355   1.952
   63   HD23  LEU   9          HD23      LEU   9   7.234  -2.652   1.551
   64    H    MET  10           HN       MET  10   1.778  -4.633   0.600
   65    HA   MET  10           HA       MET  10   1.001  -7.518   0.693
   66    HB2  MET  10           HB2      MET  10  -0.716  -5.071   1.180
   67    HB3  MET  10           HB1      MET  10  -1.103  -6.759   1.563
   68    HG2  MET  10           HG2      MET  10   1.193  -5.238   2.799
   69    HG3  MET  10           HG1      MET  10  -0.418  -5.351   3.533
   70    HE1  MET  10           HE1      MET  10   2.667  -6.326   4.555
   71    HE2  MET  10           HE2      MET  10   2.958  -8.069   4.345
   72    HE3  MET  10           HE3      MET  10   3.004  -6.985   2.936
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  -7.295   1.159   4.674
    2    H2   GLY   1           HT2      GLY   1  -8.649   1.740   3.829
    3    H3   GLY   1           HT3      GLY   1  -8.136   2.510   5.254
    4    HA2  GLY   1           HA1      GLY   1  -7.582   3.555   3.034
    5    HA3  GLY   1           HA2      GLY   1  -6.341   3.464   4.298
    6    H    ASN   2           HN       ASN   2  -6.663   3.267   1.123
    7    HA   ASN   2           HA       ASN   2  -5.013   0.809   0.734
    8    HB2  ASN   2           HB2      ASN   2  -7.013   1.350  -0.725
    9    HB3  ASN   2           HB1      ASN   2  -6.070   2.710  -1.368
   10   HD21  ASN   2          HD21      ASN   2  -5.193  -0.682  -0.492
   11   HD22  ASN   2          HD22      ASN   2  -4.525  -1.072  -2.080
   12    H    HIS   3           HN       HIS   3  -3.277   1.958   2.010
   13    HA   HIS   3           HA       HIS   3  -1.925   4.234   0.936
   14    HB2  HIS   3           HB2      HIS   3  -1.238   2.033   2.840
   15    HB3  HIS   3           HB1      HIS   3   0.095   3.010   2.206
   16    HD1  HIS   3           HD1      HIS   3  -2.594   2.898   4.713
   17    HD2  HIS   3           HD2      HIS   3  -0.077   5.759   3.008
   18    HE1  HIS   3           HE1      HIS   3  -2.795   4.978   6.155
   19    H    TRP   4           HN       TRP   4   0.578   3.899   0.397
   20    HA   TRP   4           HA       TRP   4   0.552   2.620  -2.232
   21    HB2  TRP   4           HB2      TRP   4   2.786   3.524  -2.471
   22    HB3  TRP   4           HB1      TRP   4   1.713   4.759  -1.791
   23    HD1  TRP   4           HD1      TRP   4   2.115   5.433   0.813
   24    HE1  TRP   4           HE1      TRP   4   4.190   5.221   2.358
   25    HE3  TRP   4           HE3      TRP   4   4.778   2.067  -1.952
   26    HZ2  TRP   4           HZ2      TRP   4   6.605   3.798   2.352
   27    HZ3  TRP   4           HZ3      TRP   4   6.973   1.322  -1.120
   28    HH2  TRP   4           HH2      TRP   4   7.873   2.181   1.013
   29    H    ALA   5           HN       ALA   5   2.050   1.998   0.934
   30    HA   ALA   5           HA       ALA   5   3.691  -0.178   0.036
   31    HB1  ALA   5           HB1      ALA   5   4.363  -0.274   2.208
   32    HB2  ALA   5           HB2      ALA   5   2.700  -0.279   2.843
   33    HB3  ALA   5           HB3      ALA   5   3.463   1.247   2.344
   34    H    VAL   6           HN       VAL   6   0.316   0.114   0.493
   35    HA   VAL   6           HA       VAL   6  -0.261  -2.609   1.253
   36    HB   VAL   6           HB       VAL   6  -2.092  -0.803  -0.347
   37   HG11  VAL   6          HG11      VAL   6  -2.804  -3.148   0.004
   38   HG12  VAL   6          HG12      VAL   6  -3.855  -1.991   0.855
   39   HG13  VAL   6          HG13      VAL   6  -2.632  -2.912   1.755
   40   HG21  VAL   6          HG21      VAL   6  -1.168   0.483   1.480
   41   HG22  VAL   6          HG22      VAL   6  -1.589  -0.786   2.649
   42   HG23  VAL   6          HG23      VAL   6  -2.875   0.121   1.809
   43    H    GLY   7           HN       GLY   7   0.557  -1.049  -1.759
   44    HA2  GLY   7           HA2      GLY   7  -0.505  -3.269  -3.391
   45    HA3  GLY   7           HA1      GLY   7   0.388  -1.846  -3.959
   46    H    HIS   8           HN       HIS   8   2.743  -1.859  -2.742
   47    HA   HIS   8           HA       HIS   8   4.137  -3.990  -4.081
   48    HB2  HIS   8           HB2      HIS   8   4.829  -1.696  -2.322
   49    HB3  HIS   8           HB1      HIS   8   6.013  -3.014  -2.361
   50    HD1  HIS   8           HD1      HIS   8   7.821  -2.444  -3.935
   51    HD2  HIS   8           HD2      HIS   8   4.059  -1.406  -5.419
   52    HE1  HIS   8           HE1      HIS   8   8.213  -1.411  -6.220
   53    H    LEU   9           HN       LEU   9   4.058  -3.236  -0.570
   54    HA   LEU   9           HA       LEU   9   5.155  -5.703   0.268
   55    HB2  LEU   9           HB2      LEU   9   3.086  -4.170   1.849
   56    HB3  LEU   9           HB1      LEU   9   4.426  -5.156   2.444
   57    HG   LEU   9           HG       LEU   9   4.615  -2.450   1.109
   58   HD11  LEU   9          HD11      LEU   9   3.915  -2.250   3.399
   59   HD12  LEU   9          HD12      LEU   9   5.651  -1.853   3.339
   60   HD13  LEU   9          HD13      LEU   9   5.122  -3.446   3.921
   61   HD21  LEU   9          HD21      LEU   9   6.504  -3.752   0.365
   62   HD22  LEU   9          HD22      LEU   9   6.771  -4.377   2.010
   63   HD23  LEU   9          HD23      LEU   9   7.067  -2.660   1.650
   64    H    MET  10           HN       MET  10   1.694  -4.753   0.491
   65    HA   MET  10           HA       MET  10   0.999  -7.668   0.440
   66    HB2  MET  10           HB2      MET  10  -0.557  -5.217   1.281
   67    HB3  MET  10           HB1      MET  10  -1.245  -6.847   1.191
   68    HG2  MET  10           HG2      MET  10   0.565  -7.586   2.794
   69    HG3  MET  10           HG1      MET  10   0.954  -5.868   3.014
   70    HE1  MET  10           HE1      MET  10  -2.467  -4.545   3.388
   71    HE2  MET  10           HE2      MET  10  -1.587  -4.265   4.904
   72    HE3  MET  10           HE3      MET  10  -0.727  -4.167   3.352
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  -6.747   5.577  -1.053
    2    H2   GLY   1           HT2      GLY   1  -8.297   6.130  -0.628
    3    H3   GLY   1           HT3      GLY   1  -8.015   5.478  -2.171
    4    HA2  GLY   1           HA1      GLY   1  -9.009   4.161  -0.066
    5    HA3  GLY   1           HA2      GLY   1  -8.289   3.432  -1.513
    6    H    ASN   2           HN       ASN   2  -6.576   2.153  -1.284
    7    HA   ASN   2           HA       ASN   2  -5.473   1.808   1.433
    8    HB2  ASN   2           HB2      ASN   2  -5.033   0.369  -1.189
    9    HB3  ASN   2           HB1      ASN   2  -4.207  -0.050   0.297
   10   HD21  ASN   2          HD21      ASN   2  -7.366   0.187  -1.301
   11   HD22  ASN   2          HD22      ASN   2  -8.187  -0.963  -0.240
   12    H    HIS   3           HN       HIS   3  -3.300   1.975   2.005
   13    HA   HIS   3           HA       HIS   3  -1.922   4.230   0.940
   14    HB2  HIS   3           HB2      HIS   3  -1.299   2.039   2.865
   15    HB3  HIS   3           HB1      HIS   3   0.086   2.926   2.206
   16    HD1  HIS   3           HD1      HIS   3  -2.296   2.924   4.902
   17    HD2  HIS   3           HD2      HIS   3  -0.201   5.819   2.743
   18    HE1  HIS   3           HE1      HIS   3  -2.454   5.073   6.246
   19    H    TRP   4           HN       TRP   4   0.578   3.896   0.401
   20    HA   TRP   4           HA       TRP   4   0.555   2.621  -2.232
   21    HB2  TRP   4           HB2      TRP   4   2.788   3.527  -2.467
   22    HB3  TRP   4           HB1      TRP   4   1.713   4.762  -1.788
   23    HD1  TRP   4           HD1      TRP   4   2.112   5.431   0.821
   24    HE1  TRP   4           HE1      TRP   4   4.187   5.220   2.366
   25    HE3  TRP   4           HE3      TRP   4   4.781   2.072  -1.950
   26    HZ2  TRP   4           HZ2      TRP   4   6.605   3.799   2.361
   27    HZ3  TRP   4           HZ3      TRP   4   6.974   1.328  -1.116
   28    HH2  TRP   4           HH2      TRP   4   7.875   2.185   1.017
   29    H    ALA   5           HN       ALA   5   2.050   1.998   0.938
   30    HA   ALA   5           HA       ALA   5   3.696  -0.181   0.038
   31    HB1  ALA   5           HB1      ALA   5   4.419   0.528   2.096
   32    HB2  ALA   5           HB2      ALA   5   3.331  -0.760   2.659
   33    HB3  ALA   5           HB3      ALA   5   2.775   0.924   2.639
   34    H    VAL   6           HN       VAL   6   0.317   0.113   0.497
   35    HA   VAL   6           HA       VAL   6  -0.243  -2.603   1.256
   36    HB   VAL   6           HB       VAL   6  -2.087  -0.804  -0.340
   37   HG11  VAL   6          HG11      VAL   6  -3.053  -2.935  -0.121
   38   HG12  VAL   6          HG12      VAL   6  -3.777  -2.024   1.218
   39   HG13  VAL   6          HG13      VAL   6  -2.447  -3.144   1.533
   40   HG21  VAL   6          HG21      VAL   6  -1.352  -0.723   2.590
   41   HG22  VAL   6          HG22      VAL   6  -2.884  -0.048   2.010
   42   HG23  VAL   6          HG23      VAL   6  -1.351   0.574   1.391
   43    H    GLY   7           HN       GLY   7   0.556  -1.046  -1.756
   44    HA2  GLY   7           HA2      GLY   7  -0.508  -3.261  -3.392
   45    HA3  GLY   7           HA1      GLY   7   0.389  -1.838  -3.956
   46    H    HIS   8           HN       HIS   8   2.742  -1.862  -2.741
   47    HA   HIS   8           HA       HIS   8   4.128  -4.000  -4.081
   48    HB2  HIS   8           HB2      HIS   8   4.822  -1.680  -2.370
   49    HB3  HIS   8           HB1      HIS   8   5.999  -3.005  -2.343
   50    HD1  HIS   8           HD1      HIS   8   7.816  -2.623  -3.956
   51    HD2  HIS   8           HD2      HIS   8   4.125  -1.359  -5.439
   52    HE1  HIS   8           HE1      HIS   8   8.265  -1.635  -6.250
   53    H    LEU   9           HN       LEU   9   4.147  -3.222  -0.578
   54    HA   LEU   9           HA       LEU   9   5.198  -5.715   0.244
   55    HB2  LEU   9           HB2      LEU   9   3.230  -4.107   1.879
   56    HB3  LEU   9           HB1      LEU   9   4.558  -5.128   2.442
   57    HG   LEU   9           HG       LEU   9   4.778  -2.442   1.075
   58   HD11  LEU   9          HD11      LEU   9   5.473  -1.592   3.149
   59   HD12  LEU   9          HD12      LEU   9   5.827  -3.211   3.796
   60   HD13  LEU   9          HD13      LEU   9   4.142  -2.689   3.588
   61   HD21  LEU   9          HD21      LEU   9   6.608  -3.788   0.276
   62   HD22  LEU   9          HD22      LEU   9   6.907  -4.433   1.908
   63   HD23  LEU   9          HD23      LEU   9   7.244  -2.721   1.551
   64    H    MET  10           HN       MET  10   1.788  -4.680   0.710
   65    HA   MET  10           HA       MET  10   0.977  -7.516   0.860
   66    HB2  MET  10           HB2      MET  10  -0.527  -4.909   1.154
   67    HB3  MET  10           HB1      MET  10  -1.299  -6.499   1.241
   68    HG2  MET  10           HG2      MET  10   1.037  -5.938   3.019
   69    HG3  MET  10           HG1      MET  10  -0.540  -5.262   3.433
   70    HE1  MET  10           HE1      MET  10   1.099  -9.265   4.196
   71    HE2  MET  10           HE2      MET  10   0.791  -9.251   2.447
   72    HE3  MET  10           HE3      MET  10   1.798  -7.988   3.183
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  -7.254   4.677   5.449
    2    H2   GLY   1           HT2      GLY   1  -8.500   5.210   4.423
    3    H3   GLY   1           HT3      GLY   1  -6.967   4.847   3.787
    4    HA2  GLY   1           HA1      GLY   1  -8.110   2.694   5.248
    5    HA3  GLY   1           HA2      GLY   1  -9.088   3.205   3.860
    6    H    ASN   2           HN       ASN   2  -6.522   4.221   2.553
    7    HA   ASN   2           HA       ASN   2  -5.308   1.566   1.857
    8    HB2  ASN   2           HB2      ASN   2  -7.033   2.090   0.179
    9    HB3  ASN   2           HB1      ASN   2  -6.262   3.660  -0.119
   10   HD21  ASN   2          HD21      ASN   2  -5.704   3.347  -2.268
   11   HD22  ASN   2          HD22      ASN   2  -4.530   2.127  -2.773
   12    H    HIS   3           HN       HIS   3  -3.235   1.700   0.822
   13    HA   HIS   3           HA       HIS   3  -1.862   4.331   0.973
   14    HB2  HIS   3           HB2      HIS   3  -1.397   2.047   2.835
   15    HB3  HIS   3           HB1      HIS   3   0.043   2.882   2.226
   16    HD1  HIS   3           HD1      HIS   3   0.592   5.107   3.283
   17    HD2  HIS   3           HD2      HIS   3  -3.271   3.809   4.187
   18    HE1  HIS   3           HE1      HIS   3  -0.262   6.630   5.126
   19    H    TRP   4           HN       TRP   4   0.610   3.858   0.451
   20    HA   TRP   4           HA       TRP   4   0.524   2.597  -2.203
   21    HB2  TRP   4           HB2      TRP   4   2.774   3.473  -2.459
   22    HB3  TRP   4           HB1      TRP   4   1.706   4.727  -1.806
   23    HD1  TRP   4           HD1      TRP   4   2.108   5.447   0.789
   24    HE1  TRP   4           HE1      TRP   4   4.180   5.252   2.340
   25    HE3  TRP   4           HE3      TRP   4   4.760   2.020  -1.912
   26    HZ2  TRP   4           HZ2      TRP   4   6.590   3.821   2.362
   27    HZ3  TRP   4           HZ3      TRP   4   6.951   1.281  -1.064
   28    HH2  TRP   4           HH2      TRP   4   7.853   2.176   1.054
   29    H    ALA   5           HN       ALA   5   2.060   2.000   0.954
   30    HA   ALA   5           HA       ALA   5   3.677  -0.194   0.073
   31    HB1  ALA   5           HB1      ALA   5   3.536   1.235   2.344
   32    HB2  ALA   5           HB2      ALA   5   4.299  -0.364   2.269
   33    HB3  ALA   5           HB3      ALA   5   2.635  -0.200   2.879
   34    H    VAL   6           HN       VAL   6   0.306   0.114   0.489
   35    HA   VAL   6           HA       VAL   6  -0.299  -2.576   1.287
   36    HB   VAL   6           HB       VAL   6  -2.094  -0.803  -0.377
   37   HG11  VAL   6          HG11      VAL   6  -2.637  -2.931   1.710
   38   HG12  VAL   6          HG12      VAL   6  -2.871  -3.097  -0.047
   39   HG13  VAL   6          HG13      VAL   6  -3.875  -1.958   0.883
   40   HG21  VAL   6          HG21      VAL   6  -1.191   0.503   1.452
   41   HG22  VAL   6          HG22      VAL   6  -1.649  -0.749   2.627
   42   HG23  VAL   6          HG23      VAL   6  -2.909   0.158   1.749
   43    H    GLY   7           HN       GLY   7   0.582  -1.089  -1.739
   44    HA2  GLY   7           HA2      GLY   7  -0.459  -3.336  -3.351
   45    HA3  GLY   7           HA1      GLY   7   0.439  -1.921  -3.930
   46    H    HIS   8           HN       HIS   8   2.795  -1.842  -3.013
   47    HA   HIS   8           HA       HIS   8   4.211  -3.974  -4.199
   48    HB2  HIS   8           HB2      HIS   8   4.860  -1.717  -2.381
   49    HB3  HIS   8           HB1      HIS   8   6.048  -3.032  -2.414
   50    HD1  HIS   8           HD1      HIS   8   7.890  -2.431  -3.935
   51    HD2  HIS   8           HD2      HIS   8   4.163  -1.373  -5.489
   52    HE1  HIS   8           HE1      HIS   8   8.334  -1.357  -6.191
   53    H    LEU   9           HN       LEU   9   4.116  -3.303  -0.673
   54    HA   LEU   9           HA       LEU   9   5.208  -5.748   0.157
   55    HB2  LEU   9           HB2      LEU   9   3.000  -4.329   1.654
   56    HB3  LEU   9           HB1      LEU   9   4.320  -5.304   2.304
   57    HG   LEU   9           HG       LEU   9   4.541  -2.554   1.065
   58   HD11  LEU   9          HD11      LEU   9   3.700  -2.396   3.291
   59   HD12  LEU   9          HD12      LEU   9   5.441  -2.035   3.389
   60   HD13  LEU   9          HD13      LEU   9   4.836  -3.633   3.872
   61   HD21  LEU   9          HD21      LEU   9   6.494  -3.781   0.402
   62   HD22  LEU   9          HD22      LEU   9   6.666  -4.470   2.035
   63   HD23  LEU   9          HD23      LEU   9   6.953  -2.734   1.763
   64    H    MET  10           HN       MET  10   1.705  -4.942   0.130
   65    HA   MET  10           HA       MET  10   1.177  -7.879  -0.308
   66    HB2  MET  10           HB2      MET  10  -0.897  -7.586   0.956
   67    HB3  MET  10           HB1      MET  10   0.520  -7.190   1.945
   68    HG2  MET  10           HG2      MET  10   0.064  -4.769   1.232
   69    HG3  MET  10           HG1      MET  10  -1.548  -5.333   0.757
   70    HE1  MET  10           HE1      MET  10   0.420  -3.967   4.136
   71    HE2  MET  10           HE2      MET  10   0.401  -5.584   4.880
   72    HE3  MET  10           HE3      MET  10   1.159  -5.346   3.286
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  -6.264   2.700  -3.285
    2    H2   GLY   1           HT2      GLY   1  -7.462   3.462  -2.350
    3    H3   GLY   1           HT3      GLY   1  -7.880   2.202  -3.413
    4    HA2  GLY   1           HA1      GLY   1  -7.793   0.915  -1.662
    5    HA3  GLY   1           HA2      GLY   1  -6.041   1.017  -1.918
    6    H    ASN   2           HN       ASN   2  -5.062   1.211  -0.024
    7    HA   ASN   2           HA       ASN   2  -6.242   3.155   1.960
    8    HB2  ASN   2           HB2      ASN   2  -4.823   0.530   2.364
    9    HB3  ASN   2           HB1      ASN   2  -4.979   1.725   3.660
   10   HD21  ASN   2          HD21      ASN   2  -7.518   2.684   3.371
   11   HD22  ASN   2          HD22      ASN   2  -8.683   1.367   3.545
   12    H    HIS   3           HN       HIS   3  -3.213   1.668   0.752
   13    HA   HIS   3           HA       HIS   3  -1.882   4.292   0.956
   14    HB2  HIS   3           HB2      HIS   3  -1.367   2.050   2.846
   15    HB3  HIS   3           HB1      HIS   3   0.061   2.889   2.218
   16    HD1  HIS   3           HD1      HIS   3   0.349   5.388   2.928
   17    HD2  HIS   3           HD2      HIS   3  -2.804   3.349   4.756
   18    HE1  HIS   3           HE1      HIS   3  -0.453   6.866   4.830
   19    H    TRP   4           HN       TRP   4   0.600   3.874   0.428
   20    HA   TRP   4           HA       TRP   4   0.538   2.605  -2.214
   21    HB2  TRP   4           HB2      TRP   4   2.784   3.491  -2.462
   22    HB3  TRP   4           HB1      TRP   4   1.713   4.738  -1.798
   23    HD1  TRP   4           HD1      TRP   4   2.112   5.439   0.800
   24    HE1  TRP   4           HE1      TRP   4   4.185   5.237   2.351
   25    HE3  TRP   4           HE3      TRP   4   4.770   2.035  -1.924
   26    HZ2  TRP   4           HZ2      TRP   4   6.595   3.809   2.364
   27    HZ3  TRP   4           HZ3      TRP   4   6.960   1.292  -1.080
   28    HH2  TRP   4           HH2      TRP   4   7.861   2.173   1.046
   29    H    ALA   5           HN       ALA   5   2.057   1.997   0.947
   30    HA   ALA   5           HA       ALA   5   3.684  -0.191   0.058
   31    HB1  ALA   5           HB1      ALA   5   4.374  -0.217   2.217
   32    HB2  ALA   5           HB2      ALA   5   2.715  -0.316   2.861
   33    HB3  ALA   5           HB3      ALA   5   3.399   1.241   2.372
   34    H    VAL   6           HN       VAL   6   0.312   0.112   0.492
   35    HA   VAL   6           HA       VAL   6  -0.279  -2.585   1.277
   36    HB   VAL   6           HB       VAL   6  -2.093  -0.802  -0.359
   37   HG11  VAL   6          HG11      VAL   6  -2.912  -3.061  -0.067
   38   HG12  VAL   6          HG12      VAL   6  -3.854  -1.963   0.972
   39   HG13  VAL   6          HG13      VAL   6  -2.582  -2.989   1.679
   40   HG21  VAL   6          HG21      VAL   6  -1.846  -0.799   2.658
   41   HG22  VAL   6          HG22      VAL   6  -2.801   0.278   1.638
   42   HG23  VAL   6          HG23      VAL   6  -1.051   0.385   1.603
   43    H    GLY   7           HN       GLY   7   0.570  -1.073  -1.745
   44    HA2  GLY   7           HA2      GLY   7  -0.480  -3.308  -3.366
   45    HA3  GLY   7           HA1      GLY   7   0.416  -1.890  -3.939
   46    H    HIS   8           HN       HIS   8   2.775  -1.843  -2.908
   47    HA   HIS   8           HA       HIS   8   4.178  -3.984  -4.153
   48    HB2  HIS   8           HB2      HIS   8   4.852  -1.708  -2.362
   49    HB3  HIS   8           HB1      HIS   8   6.041  -3.021  -2.415
   50    HD1  HIS   8           HD1      HIS   8   7.853  -2.406  -3.966
   51    HD2  HIS   8           HD2      HIS   8   4.143  -1.019  -5.283
   52    HE1  HIS   8           HE1      HIS   8   8.250  -1.346  -6.237
   53    H    LEU   9           HN       LEU   9   3.745  -3.301  -0.653
   54    HA   LEU   9           HA       LEU   9   4.914  -5.824   0.139
   55    HB2  LEU   9           HB2      LEU   9   2.991  -4.229   1.830
   56    HB3  LEU   9           HB1      LEU   9   4.354  -5.229   2.336
   57    HG   LEU   9           HG       LEU   9   4.565  -2.562   0.918
   58   HD11  LEU   9          HD11      LEU   9   4.952  -3.400   3.788
   59   HD12  LEU   9          HD12      LEU   9   3.782  -2.230   3.173
   60   HD13  LEU   9          HD13      LEU   9   5.525  -1.850   3.147
   61   HD21  LEU   9          HD21      LEU   9   6.438  -4.003   0.346
   62   HD22  LEU   9          HD22      LEU   9   6.663  -4.420   2.061
   63   HD23  LEU   9          HD23      LEU   9   6.975  -2.761   1.499
   64    H    MET  10           HN       MET  10   1.540  -4.673   0.590
   65    HA   MET  10           HA       MET  10   0.635  -7.490   0.670
   66    HB2  MET  10           HB2      MET  10  -0.567  -4.819   1.280
   67    HB3  MET  10           HB1      MET  10  -1.655  -6.165   0.935
   68    HG2  MET  10           HG2      MET  10  -1.493  -6.360   3.213
   69    HG3  MET  10           HG1      MET  10  -0.122  -7.378   2.754
   70    HE1  MET  10           HE1      MET  10   1.265  -7.287   4.825
   71    HE2  MET  10           HE2      MET  10   2.315  -6.918   3.437
   72    HE3  MET  10           HE3      MET  10   2.492  -6.005   4.955
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -10.092   3.257   2.163
    2    H2   GLY   1           HT2      GLY   1  -9.507   4.852   2.215
    3    H3   GLY   1           HT3      GLY   1  -8.645   3.601   2.976
    4    HA2  GLY   1           HA1      GLY   1  -9.180   3.268   0.163
    5    HA3  GLY   1           HA2      GLY   1  -8.046   4.557   0.611
    6    H    ASN   2           HN       ASN   2  -6.317   3.467  -0.373
    7    HA   ASN   2           HA       ASN   2  -5.188   1.326   1.373
    8    HB2  ASN   2           HB2      ASN   2  -4.435   0.129  -0.757
    9    HB3  ASN   2           HB1      ASN   2  -6.149  -0.013  -0.323
   10   HD21  ASN   2          HD21      ASN   2  -3.943   0.734  -2.796
   11   HD22  ASN   2          HD22      ASN   2  -5.079   1.500  -3.910
   12    H    HIS   3           HN       HIS   3  -3.306   2.018   2.047
   13    HA   HIS   3           HA       HIS   3  -1.907   4.228   0.954
   14    HB2  HIS   3           HB2      HIS   3  -1.260   2.026   2.862
   15    HB3  HIS   3           HB1      HIS   3   0.103   2.958   2.219
   16    HD1  HIS   3           HD1      HIS   3  -3.126   3.307   4.206
   17    HD2  HIS   3           HD2      HIS   3   0.471   5.320   3.539
   18    HE1  HIS   3           HE1      HIS   3  -3.123   5.307   5.772
   19    H    TRP   4           HN       TRP   4   0.575   3.913   0.383
   20    HA   TRP   4           HA       TRP   4   0.542   2.622  -2.235
   21    HB2  TRP   4           HB2      TRP   4   2.778   3.521  -2.482
   22    HB3  TRP   4           HB1      TRP   4   1.708   4.758  -1.800
   23    HD1  TRP   4           HD1      TRP   4   2.118   5.433   0.802
   24    HE1  TRP   4           HE1      TRP   4   4.198   5.222   2.343
   25    HE3  TRP   4           HE3      TRP   4   4.773   2.066  -1.967
   26    HZ2  TRP   4           HZ2      TRP   4   6.613   3.799   2.332
   27    HZ3  TRP   4           HZ3      TRP   4   6.968   1.320  -1.139
   28    HH2  TRP   4           HH2      TRP   4   7.875   2.180   0.990
   29    H    ALA   5           HN       ALA   5   2.052   2.001   0.926
   30    HA   ALA   5           HA       ALA   5   3.689  -0.179   0.025
   31    HB1  ALA   5           HB1      ALA   5   3.432   1.246   2.346
   32    HB2  ALA   5           HB2      ALA   5   4.378  -0.244   2.189
   33    HB3  ALA   5           HB3      ALA   5   2.718  -0.306   2.831
   34    H    VAL   6           HN       VAL   6   0.317   0.115   0.481
   35    HA   VAL   6           HA       VAL   6  -0.255  -2.581   1.246
   36    HB   VAL   6           HB       VAL   6  -2.094  -0.799  -0.355
   37   HG11  VAL   6          HG11      VAL   6  -2.640  -2.915   1.739
   38   HG12  VAL   6          HG12      VAL   6  -2.808  -3.139  -0.011
   39   HG13  VAL   6          HG13      VAL   6  -3.856  -1.987   0.845
   40   HG21  VAL   6          HG21      VAL   6  -1.166   0.483   1.476
   41   HG22  VAL   6          HG22      VAL   6  -1.600  -0.785   2.641
   42   HG23  VAL   6          HG23      VAL   6  -2.878   0.127   1.793
   43    H    GLY   7           HN       GLY   7   0.555  -1.049  -1.769
   44    HA2  GLY   7           HA2      GLY   7  -0.502  -3.272  -3.397
   45    HA3  GLY   7           HA1      GLY   7   0.386  -1.846  -3.966
   46    H    HIS   8           HN       HIS   8   2.736  -1.866  -2.706
   47    HA   HIS   8           HA       HIS   8   4.139  -3.990  -4.062
   48    HB2  HIS   8           HB2      HIS   8   4.838  -1.713  -2.267
   49    HB3  HIS   8           HB1      HIS   8   6.030  -3.019  -2.385
   50    HD1  HIS   8           HD1      HIS   8   7.799  -2.248  -3.931
   51    HD2  HIS   8           HD2      HIS   8   3.966  -1.456  -5.388
   52    HE1  HIS   8           HE1      HIS   8   8.107  -1.174  -6.209
   53    H    LEU   9           HN       LEU   9   3.784  -3.259  -0.560
   54    HA   LEU   9           HA       LEU   9   4.943  -5.775   0.246
   55    HB2  LEU   9           HB2      LEU   9   3.042  -4.144   1.932
   56    HB3  LEU   9           HB1      LEU   9   4.399  -5.153   2.444
   57    HG   LEU   9           HG       LEU   9   4.562  -2.470   1.055
   58   HD11  LEU   9          HD11      LEU   9   5.704  -1.841   3.213
   59   HD12  LEU   9          HD12      LEU   9   5.190  -3.415   3.856
   60   HD13  LEU   9          HD13      LEU   9   3.970  -2.217   3.372
   61   HD21  LEU   9          HD21      LEU   9   7.017  -2.698   1.433
   62   HD22  LEU   9          HD22      LEU   9   6.376  -3.874   0.263
   63   HD23  LEU   9          HD23      LEU   9   6.739  -4.384   1.929
   64    H    MET  10           HN       MET  10   1.576  -4.615   0.736
   65    HA   MET  10           HA       MET  10   0.646  -7.392   0.967
   66    HB2  MET  10           HB2      MET  10  -0.600  -4.681   1.206
   67    HB3  MET  10           HB1      MET  10  -1.645  -6.079   1.006
   68    HG2  MET  10           HG2      MET  10  -1.555  -5.979   3.299
   69    HG3  MET  10           HG1      MET  10  -0.162  -7.017   3.007
   70    HE1  MET  10           HE1      MET  10  -1.639  -3.752   3.607
   71    HE2  MET  10           HE2      MET  10  -0.767  -3.373   5.099
   72    HE3  MET  10           HE3      MET  10  -0.306  -2.583   3.579
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  -7.411   1.453   5.434
    2    H2   GLY   1           HT2      GLY   1  -6.005   2.349   5.760
    3    H3   GLY   1           HT3      GLY   1  -5.901   0.868   4.934
    4    HA2  GLY   1           HA1      GLY   1  -7.675   2.422   3.529
    5    HA3  GLY   1           HA2      GLY   1  -6.285   3.447   3.932
    6    H    ASN   2           HN       ASN   2  -6.547   3.126   1.366
    7    HA   ASN   2           HA       ASN   2  -4.994   0.728   0.512
    8    HB2  ASN   2           HB2      ASN   2  -5.521   1.508  -1.772
    9    HB3  ASN   2           HB1      ASN   2  -6.977   1.276  -0.785
   10   HD21  ASN   2          HD21      ASN   2  -5.609   3.257  -3.044
   11   HD22  ASN   2          HD22      ASN   2  -6.407   4.775  -2.618
   12    H    HIS   3           HN       HIS   3  -3.305   2.002   1.997
   13    HA   HIS   3           HA       HIS   3  -1.923   4.234   0.902
   14    HB2  HIS   3           HB2      HIS   3  -1.289   2.062   2.844
   15    HB3  HIS   3           HB1      HIS   3   0.085   2.971   2.194
   16    HD1  HIS   3           HD1      HIS   3  -1.975   2.877   5.024
   17    HD2  HIS   3           HD2      HIS   3  -0.988   5.972   2.406
   18    HE1  HIS   3           HE1      HIS   3  -2.277   5.037   6.322
   19    H    TRP   4           HN       TRP   4   0.582   3.900   0.380
   20    HA   TRP   4           HA       TRP   4   0.574   2.604  -2.239
   21    HB2  TRP   4           HB2      TRP   4   2.811   3.505  -2.468
   22    HB3  TRP   4           HB1      TRP   4   1.735   4.744  -1.797
   23    HD1  TRP   4           HD1      TRP   4   2.122   5.427   0.805
   24    HE1  TRP   4           HE1      TRP   4   4.186   5.216   2.365
   25    HE3  TRP   4           HE3      TRP   4   4.797   2.043  -1.926
   26    HZ2  TRP   4           HZ2      TRP   4   6.598   3.787   2.385
   27    HZ3  TRP   4           HZ3      TRP   4   6.982   1.295  -1.074
   28    HH2  TRP   4           HH2      TRP   4   7.870   2.161   1.060
   29    H    ALA   5           HN       ALA   5   2.043   1.994   0.942
   30    HA   ALA   5           HA       ALA   5   3.689  -0.191   0.068
   31    HB1  ALA   5           HB1      ALA   5   4.294  -0.368   2.273
   32    HB2  ALA   5           HB2      ALA   5   2.628  -0.176   2.871
   33    HB3  ALA   5           HB3      ALA   5   3.552   1.242   2.328
   34    H    VAL   6           HN       VAL   6   0.311   0.113   0.508
   35    HA   VAL   6           HA       VAL   6  -0.274  -2.606   1.275
   36    HB   VAL   6           HB       VAL   6  -2.099  -0.799  -0.332
   37   HG11  VAL   6          HG11      VAL   6  -2.624  -2.932   1.758
   38   HG12  VAL   6          HG12      VAL   6  -2.842  -3.120  -0.000
   39   HG13  VAL   6          HG13      VAL   6  -3.863  -1.979   0.909
   40   HG21  VAL   6          HG21      VAL   6  -1.629  -0.782   2.670
   41   HG22  VAL   6          HG22      VAL   6  -2.877   0.151   1.801
   42   HG23  VAL   6          HG23      VAL   6  -1.156   0.477   1.511
   43    H    GLY   7           HN       GLY   7   0.556  -1.055  -1.737
   44    HA2  GLY   7           HA2      GLY   7  -0.502  -3.284  -3.365
   45    HA3  GLY   7           HA1      GLY   7   0.379  -1.855  -3.938
   46    H    HIS   8           HN       HIS   8   2.740  -1.830  -2.797
   47    HA   HIS   8           HA       HIS   8   4.157  -3.932  -4.121
   48    HB2  HIS   8           HB2      HIS   8   4.842  -1.721  -2.233
   49    HB3  HIS   8           HB1      HIS   8   6.041  -3.012  -2.433
   50    HD1  HIS   8           HD1      HIS   8   7.793  -1.996  -3.873
   51    HD2  HIS   8           HD2      HIS   8   3.944  -1.476  -5.405
   52    HE1  HIS   8           HE1      HIS   8   8.065  -0.843  -6.119
   53    H    LEU   9           HN       LEU   9   3.928  -3.278  -0.595
   54    HA   LEU   9           HA       LEU   9   5.047  -5.798   0.159
   55    HB2  LEU   9           HB2      LEU   9   3.077  -4.255   1.846
   56    HB3  LEU   9           HB1      LEU   9   4.442  -5.253   2.365
   57    HG   LEU   9           HG       LEU   9   4.561  -2.519   1.073
   58   HD11  LEU   9          HD11      LEU   9   3.975  -2.391   3.405
   59   HD12  LEU   9          HD12      LEU   9   5.695  -1.953   3.249
   60   HD13  LEU   9          HD13      LEU   9   5.236  -3.569   3.828
   61   HD21  LEU   9          HD21      LEU   9   7.022  -2.706   1.435
   62   HD22  LEU   9          HD22      LEU   9   6.401  -3.838   0.209
   63   HD23  LEU   9          HD23      LEU   9   6.783  -4.421   1.848
   64    H    MET  10           HN       MET  10   1.637  -4.717   0.524
   65    HA   MET  10           HA       MET  10   0.810  -7.581   0.510
   66    HB2  MET  10           HB2      MET  10  -0.397  -4.995   1.415
   67    HB3  MET  10           HB1      MET  10  -1.497  -6.311   0.961
   68    HG2  MET  10           HG2      MET  10  -1.236  -6.631   3.242
   69    HG3  MET  10           HG1      MET  10  -0.025  -7.741   2.587
   70    HE1  MET  10           HE1      MET  10  -0.592  -5.063   5.295
   71    HE2  MET  10           HE2      MET  10   0.618  -3.821   4.895
   72    HE3  MET  10           HE3      MET  10  -0.719  -4.156   3.769
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1  -8.712   2.463   2.612
    2    H2   GLY   1           HT2      GLY   1  -8.290   3.867   3.471
    3    H3   GLY   1           HT3      GLY   1  -9.095   2.594   4.257
    4    HA2  GLY   1           HA1      GLY   1  -6.461   3.016   4.269
    5    HA3  GLY   1           HA2      GLY   1  -7.272   1.481   4.638
    6    H    ASN   2           HN       ASN   2  -6.035   3.430   1.899
    7    HA   ASN   2           HA       ASN   2  -5.035   0.869   0.689
    8    HB2  ASN   2           HB2      ASN   2  -6.486   3.121  -0.731
    9    HB3  ASN   2           HB1      ASN   2  -5.617   1.807  -1.550
   10   HD21  ASN   2          HD21      ASN   2  -6.383  -0.239   0.446
   11   HD22  ASN   2          HD22      ASN   2  -8.090  -0.566   0.147
   12    H    HIS   3           HN       HIS   3  -3.221   1.934   2.083
   13    HA   HIS   3           HA       HIS   3  -1.888   4.246   1.025
   14    HB2  HIS   3           HB2      HIS   3  -1.208   2.027   2.901
   15    HB3  HIS   3           HB1      HIS   3   0.145   2.955   2.233
   16    HD1  HIS   3           HD1      HIS   3  -2.843   3.155   4.515
   17    HD2  HIS   3           HD2      HIS   3   0.413   5.484   3.335
   18    HE1  HIS   3           HE1      HIS   3  -2.836   5.194   6.028
   19    H    TRP   4           HN       TRP   4   0.592   3.904   0.413
   20    HA   TRP   4           HA       TRP   4   0.490   2.638  -2.222
   21    HB2  TRP   4           HB2      TRP   4   2.731   3.524  -2.505
   22    HB3  TRP   4           HB1      TRP   4   1.674   4.764  -1.808
   23    HD1  TRP   4           HD1      TRP   4   2.121   5.435   0.792
   24    HE1  TRP   4           HE1      TRP   4   4.226   5.222   2.297
   25    HE3  TRP   4           HE3      TRP   4   4.732   2.069  -2.024
   26    HZ2  TRP   4           HZ2      TRP   4   6.639   3.798   2.247
   27    HZ3  TRP   4           HZ3      TRP   4   6.940   1.320  -1.233
   28    HH2  TRP   4           HH2      TRP   4   7.881   2.178   0.883
   29    H    ALA   5           HN       ALA   5   2.078   1.995   0.900
   30    HA   ALA   5           HA       ALA   5   3.687  -0.183  -0.046
   31    HB1  ALA   5           HB1      ALA   5   4.483   0.019   2.047
   32    HB2  ALA   5           HB2      ALA   5   2.945  -0.568   2.723
   33    HB3  ALA   5           HB3      ALA   5   3.182   1.160   2.410
   34    H    VAL   6           HN       VAL   6   0.321   0.111   0.438
   35    HA   VAL   6           HA       VAL   6  -0.246  -2.581   1.180
   36    HB   VAL   6           HB       VAL   6  -2.075  -0.790  -0.406
   37   HG11  VAL   6          HG11      VAL   6  -2.510  -3.361   0.351
   38   HG12  VAL   6          HG12      VAL   6  -3.782  -2.147   0.241
   39   HG13  VAL   6          HG13      VAL   6  -3.071  -2.529   1.807
   40   HG21  VAL   6          HG21      VAL   6  -2.870   0.128   1.739
   41   HG22  VAL   6          HG22      VAL   6  -1.158   0.479   1.433
   42   HG23  VAL   6          HG23      VAL   6  -1.602  -0.778   2.596
   43    H    GLY   7           HN       GLY   7   0.563  -1.056  -1.816
   44    HA2  GLY   7           HA2      GLY   7  -0.500  -3.278  -3.446
   45    HA3  GLY   7           HA1      GLY   7   0.386  -1.853  -4.016
   46    H    HIS   8           HN       HIS   8   2.715  -1.931  -2.592
   47    HA   HIS   8           HA       HIS   8   4.091  -4.126  -3.959
   48    HB2  HIS   8           HB2      HIS   8   4.872  -1.713  -2.377
   49    HB3  HIS   8           HB1      HIS   8   6.059  -3.022  -2.514
   50    HD1  HIS   8           HD1      HIS   8   7.678  -2.487  -4.291
   51    HD2  HIS   8           HD2      HIS   8   3.847  -1.106  -5.212
   52    HE1  HIS   8           HE1      HIS   8   7.813  -1.505  -6.628
   53    H    LEU   9           HN       LEU   9   4.283  -3.028  -0.549
   54    HA   LEU   9           HA       LEU   9   5.328  -5.489   0.419
   55    HB2  LEU   9           HB2      LEU   9   3.612  -3.596   2.035
   56    HB3  LEU   9           HB1      LEU   9   4.901  -4.663   2.596
   57    HG   LEU   9           HG       LEU   9   5.240  -2.176   0.913
   58   HD11  LEU   9          HD11      LEU   9   6.230  -1.190   2.866
   59   HD12  LEU   9          HD12      LEU   9   6.188  -2.743   3.723
   60   HD13  LEU   9          HD13      LEU   9   4.675  -1.893   3.369
   61   HD21  LEU   9          HD21      LEU   9   7.228  -4.222   1.938
   62   HD22  LEU   9          HD22      LEU   9   7.698  -2.598   1.380
   63   HD23  LEU   9          HD23      LEU   9   6.938  -3.743   0.249
   64    H    MET  10           HN       MET  10   2.033  -4.213   1.078
   65    HA   MET  10           HA       MET  10   1.074  -6.863   1.776
   66    HB2  MET  10           HB2      MET  10   0.289  -4.389   2.394
   67    HB3  MET  10           HB1      MET  10  -0.865  -4.697   1.087
   68    HG2  MET  10           HG2      MET  10  -1.423  -6.855   2.302
   69    HG3  MET  10           HG1      MET  10  -0.507  -6.201   3.674
   70    HE1  MET  10           HE1      MET  10  -1.283  -3.009   3.031
   71    HE2  MET  10           HE2      MET  10  -2.575  -2.794   4.202
   72    HE3  MET  10           HE3      MET  10  -1.096  -3.674   4.647
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1  -9.552   3.808   4.202
    2    H2   GLY   1           HT2      GLY   1  -8.765   3.202   2.823
    3    H3   GLY   1           HT3      GLY   1  -9.435   4.764   2.809
    4    HA2  GLY   1           HA1      GLY   1  -7.566   5.599   3.470
    5    HA3  GLY   1           HA2      GLY   1  -7.723   4.649   4.959
    6    H    ASN   2           HN       ASN   2  -7.315   3.484   1.614
    7    HA   ASN   2           HA       ASN   2  -5.339   1.564   2.338
    8    HB2  ASN   2           HB2      ASN   2  -5.924   2.847  -0.349
    9    HB3  ASN   2           HB1      ASN   2  -4.910   1.411  -0.103
   10   HD21  ASN   2          HD21      ASN   2  -8.065   2.567  -0.686
   11   HD22  ASN   2          HD22      ASN   2  -8.933   1.060  -0.371
   12    H    HIS   3           HN       HIS   3  -3.206   1.653   0.767
   13    HA   HIS   3           HA       HIS   3  -1.882   4.284   0.963
   14    HB2  HIS   3           HB2      HIS   3  -1.356   2.043   2.852
   15    HB3  HIS   3           HB1      HIS   3   0.070   2.885   2.218
   16    HD1  HIS   3           HD1      HIS   3  -2.918   3.215   4.465
   17    HD2  HIS   3           HD2      HIS   3   0.141   5.651   3.003
   18    HE1  HIS   3           HE1      HIS   3  -2.856   5.263   5.965
   19    H    TRP   4           HN       TRP   4   0.600   3.873   0.428
   20    HA   TRP   4           HA       TRP   4   0.535   2.607  -2.217
   21    HB2  TRP   4           HB2      TRP   4   2.777   3.495  -2.470
   22    HB3  TRP   4           HB1      TRP   4   1.709   4.741  -1.799
   23    HD1  TRP   4           HD1      TRP   4   2.115   5.434   0.799
   24    HE1  TRP   4           HE1      TRP   4   4.193   5.230   2.344
   25    HE3  TRP   4           HE3      TRP   4   4.768   2.039  -1.941
   26    HZ2  TRP   4           HZ2      TRP   4   6.605   3.804   2.345
   27    HZ3  TRP   4           HZ3      TRP   4   6.961   1.297  -1.106
   28    HH2  TRP   4           HH2      TRP   4   7.867   2.173   1.018
   29    H    ALA   5           HN       ALA   5   2.061   1.995   0.941
   30    HA   ALA   5           HA       ALA   5   3.688  -0.191   0.045
   31    HB1  ALA   5           HB1      ALA   5   3.503   1.236   2.336
   32    HB2  ALA   5           HB2      ALA   5   4.340  -0.323   2.227
   33    HB3  ALA   5           HB3      ALA   5   2.675  -0.247   2.855
   34    H    VAL   6           HN       VAL   6   0.315   0.109   0.491
   35    HA   VAL   6           HA       VAL   6  -0.273  -2.606   1.265
   36    HB   VAL   6           HB       VAL   6  -2.092  -0.806  -0.356
   37   HG11  VAL   6          HG11      VAL   6  -2.580  -2.986   1.690
   38   HG12  VAL   6          HG12      VAL   6  -2.898  -3.074  -0.059
   39   HG13  VAL   6          HG13      VAL   6  -3.848  -1.970   0.964
   40   HG21  VAL   6          HG21      VAL   6  -2.880   0.147   1.774
   41   HG22  VAL   6          HG22      VAL   6  -1.159   0.480   1.483
   42   HG23  VAL   6          HG23      VAL   6  -1.631  -0.779   2.646
   43    H    GLY   7           HN       GLY   7   0.570  -1.072  -1.749
   44    HA2  GLY   7           HA2      GLY   7  -0.487  -3.307  -3.371
   45    HA3  GLY   7           HA1      GLY   7   0.401  -1.883  -3.946
   46    H    HIS   8           HN       HIS   8   2.762  -1.847  -2.841
   47    HA   HIS   8           HA       HIS   8   4.174  -3.968  -4.129
   48    HB2  HIS   8           HB2      HIS   8   4.856  -1.727  -2.282
   49    HB3  HIS   8           HB1      HIS   8   6.052  -3.026  -2.433
   50    HD1  HIS   8           HD1      HIS   8   7.823  -2.158  -3.930
   51    HD2  HIS   8           HD2      HIS   8   4.009  -1.074  -5.233
   52    HE1  HIS   8           HE1      HIS   8   8.128  -1.044  -6.191
   53    H    LEU   9           HN       LEU   9   4.110  -3.260  -0.608
   54    HA   LEU   9           HA       LEU   9   5.217  -5.696   0.239
   55    HB2  LEU   9           HB2      LEU   9   3.018  -4.266   1.741
   56    HB3  LEU   9           HB1      LEU   9   4.349  -5.227   2.388
   57    HG   LEU   9           HG       LEU   9   4.544  -2.492   1.115
   58   HD11  LEU   9          HD11      LEU   9   3.726  -2.307   3.346
   59   HD12  LEU   9          HD12      LEU   9   5.468  -1.944   3.428
   60   HD13  LEU   9          HD13      LEU   9   4.866  -3.537   3.932
   61   HD21  LEU   9          HD21      LEU   9   6.691  -4.385   2.091
   62   HD22  LEU   9          HD22      LEU   9   6.967  -2.652   1.791
   63   HD23  LEU   9          HD23      LEU   9   6.500  -3.723   0.452
   64    H    MET  10           HN       MET  10   1.712  -4.926   0.418
   65    HA   MET  10           HA       MET  10   1.188  -7.860  -0.022
   66    HB2  MET  10           HB2      MET  10  -0.998  -7.356   1.155
   67    HB3  MET  10           HB1      MET  10   0.460  -7.308   2.161
   68    HG2  MET  10           HG2      MET  10   0.478  -4.826   1.906
   69    HG3  MET  10           HG1      MET  10  -1.065  -4.948   1.041
   70    HE1  MET  10           HE1      MET  10  -0.182  -5.654   5.468
   71    HE2  MET  10           HE2      MET  10   0.949  -5.621   4.094
   72    HE3  MET  10           HE3      MET  10   0.220  -4.108   4.684
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1  -8.350   3.294   3.319
    2    H2   GLY   1           HT2      GLY   1  -7.530   4.782   3.370
    3    H3   GLY   1           HT3      GLY   1  -7.839   3.928   4.806
    4    HA2  GLY   1           HA1      GLY   1  -5.591   3.640   4.280
    5    HA3  GLY   1           HA2      GLY   1  -6.456   2.117   3.997
    6    H    ASN   2           HN       ASN   2  -5.909   1.102   2.207
    7    HA   ASN   2           HA       ASN   2  -5.061   0.727   0.088
    8    HB2  ASN   2           HB2      ASN   2  -6.693   3.232  -0.284
    9    HB3  ASN   2           HB1      ASN   2  -5.798   2.542  -1.651
   10   HD21  ASN   2          HD21      ASN   2  -8.067   2.415  -2.522
   11   HD22  ASN   2          HD22      ASN   2  -8.975   0.948  -2.145
   12    H    HIS   3           HN       HIS   3  -3.326   2.031   1.973
   13    HA   HIS   3           HA       HIS   3  -1.928   4.245   0.876
   14    HB2  HIS   3           HB2      HIS   3  -1.329   2.089   2.841
   15    HB3  HIS   3           HB1      HIS   3   0.067   2.964   2.189
   16    HD1  HIS   3           HD1      HIS   3  -2.826   3.182   4.520
   17    HD2  HIS   3           HD2      HIS   3   0.191   5.652   3.036
   18    HE1  HIS   3           HE1      HIS   3  -2.886   5.301   5.917
   19    H    TRP   4           HN       TRP   4   0.581   3.904   0.375
   20    HA   TRP   4           HA       TRP   4   0.593   2.599  -2.239
   21    HB2  TRP   4           HB2      TRP   4   2.841   3.484  -2.443
   22    HB3  TRP   4           HB1      TRP   4   1.758   4.733  -1.801
   23    HD1  TRP   4           HD1      TRP   4   2.111   5.440   0.800
   24    HE1  TRP   4           HE1      TRP   4   4.151   5.238   2.393
   25    HE3  TRP   4           HE3      TRP   4   4.813   2.023  -1.861
   26    HZ2  TRP   4           HZ2      TRP   4   6.557   3.800   2.458
   27    HZ3  TRP   4           HZ3      TRP   4   6.982   1.275  -0.972
   28    HH2  TRP   4           HH2      TRP   4   7.843   2.157   1.169
   29    H    ALA   5           HN       ALA   5   2.042   1.999   0.956
   30    HA   ALA   5           HA       ALA   5   3.682  -0.199   0.102
   31    HB1  ALA   5           HB1      ALA   5   3.496   1.248   2.369
   32    HB2  ALA   5           HB2      ALA   5   4.293  -0.334   2.300
   33    HB3  ALA   5           HB3      ALA   5   2.621  -0.204   2.897
   34    H    VAL   6           HN       VAL   6   0.302   0.121   0.524
   35    HA   VAL   6           HA       VAL   6  -0.297  -2.575   1.303
   36    HB   VAL   6           HB       VAL   6  -2.107  -0.785  -0.327
   37   HG11  VAL   6          HG11      VAL   6  -2.599  -2.973   1.711
   38   HG12  VAL   6          HG12      VAL   6  -2.930  -3.043  -0.037
   39   HG13  VAL   6          HG13      VAL   6  -3.867  -1.946   1.005
   40   HG21  VAL   6          HG21      VAL   6  -2.892   0.179   1.795
   41   HG22  VAL   6          HG22      VAL   6  -1.166   0.492   1.519
   42   HG23  VAL   6          HG23      VAL   6  -1.658  -0.761   2.676
   43    H    GLY   7           HN       GLY   7   0.573  -1.066  -1.713
   44    HA2  GLY   7           HA2      GLY   7  -0.493  -3.296  -3.338
   45    HA3  GLY   7           HA1      GLY   7   0.395  -1.872  -3.912
   46    H    HIS   8           HN       HIS   8   2.761  -1.811  -2.931
   47    HA   HIS   8           HA       HIS   8   4.171  -3.929  -4.181
   48    HB2  HIS   8           HB2      HIS   8   4.834  -1.685  -2.348
   49    HB3  HIS   8           HB1      HIS   8   6.025  -2.996  -2.415
   50    HD1  HIS   8           HD1      HIS   8   7.855  -2.276  -3.908
   51    HD2  HIS   8           HD2      HIS   8   4.090  -1.394  -5.484
   52    HE1  HIS   8           HE1      HIS   8   8.258  -1.197  -6.171
   53    H    LEU   9           HN       LEU   9   4.092  -3.276  -0.651
   54    HA   LEU   9           HA       LEU   9   5.201  -5.722   0.163
   55    HB2  LEU   9           HB2      LEU   9   2.990  -4.319   1.673
   56    HB3  LEU   9           HB1      LEU   9   4.316  -5.292   2.314
   57    HG   LEU   9           HG       LEU   9   4.531  -2.540   1.080
   58   HD11  LEU   9          HD11      LEU   9   5.417  -2.023   3.417
   59   HD12  LEU   9          HD12      LEU   9   4.797  -3.617   3.892
   60   HD13  LEU   9          HD13      LEU   9   3.676  -2.371   3.297
   61   HD21  LEU   9          HD21      LEU   9   6.940  -2.717   1.801
   62   HD22  LEU   9          HD22      LEU   9   6.494  -3.764   0.438
   63   HD23  LEU   9          HD23      LEU   9   6.653  -4.452   2.073
   64    H    MET  10           HN       MET  10   1.698  -4.923   0.056
   65    HA   MET  10           HA       MET  10   1.183  -7.859  -0.389
   66    HB2  MET  10           HB2      MET  10  -0.802  -7.699   0.958
   67    HB3  MET  10           HB1      MET  10   0.577  -7.120   1.909
   68    HG2  MET  10           HG2      MET  10  -0.134  -4.788   1.116
   69    HG3  MET  10           HG1      MET  10  -1.680  -5.534   0.677
   70    HE1  MET  10           HE1      MET  10   0.079  -4.685   4.823
   71    HE2  MET  10           HE2      MET  10   0.964  -4.860   3.289
   72    HE3  MET  10           HE3      MET  10  -0.112  -3.464   3.543
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1  -7.851   1.180   3.743
    2    H2   GLY   1           HT2      GLY   1  -8.239   2.810   3.460
    3    H3   GLY   1           HT3      GLY   1  -8.165   2.214   5.049
    4    HA2  GLY   1           HA1      GLY   1  -6.242   3.582   4.143
    5    HA3  GLY   1           HA2      GLY   1  -5.923   2.120   5.094
    6    H    ASN   2           HN       ASN   2  -6.715   2.929   1.680
    7    HA   ASN   2           HA       ASN   2  -4.980   0.749   0.743
    8    HB2  ASN   2           HB2      ASN   2  -7.173   1.526  -0.325
    9    HB3  ASN   2           HB1      ASN   2  -6.254   2.913  -0.945
   10   HD21  ASN   2          HD21      ASN   2  -3.766   1.150  -1.119
   11   HD22  ASN   2          HD22      ASN   2  -4.024   0.215  -2.592
   12    H    HIS   3           HN       HIS   3  -3.179   1.922   2.064
   13    HA   HIS   3           HA       HIS   3  -1.978   4.273   0.929
   14    HB2  HIS   3           HB2      HIS   3  -0.485   2.117   2.458
   15    HB3  HIS   3           HB1      HIS   3  -0.135   3.835   2.337
   16    HD1  HIS   3           HD1      HIS   3  -2.340   1.369   4.121
   17    HD2  HIS   3           HD2      HIS   3  -1.830   5.508   3.890
   18    HE1  HIS   3           HE1      HIS   3  -3.532   2.352   6.133
   19    H    TRP   4           HN       TRP   4   0.610   3.862   0.436
   20    HA   TRP   4           HA       TRP   4   0.524   2.617  -2.223
   21    HB2  TRP   4           HB2      TRP   4   2.764   3.506  -2.485
   22    HB3  TRP   4           HB1      TRP   4   1.700   4.748  -1.802
   23    HD1  TRP   4           HD1      TRP   4   2.123   5.430   0.798
   24    HE1  TRP   4           HE1      TRP   4   4.212   5.218   2.328
   25    HE3  TRP   4           HE3      TRP   4   4.759   2.051  -1.979
   26    HZ2  TRP   4           HZ2      TRP   4   6.625   3.791   2.305
   27    HZ3  TRP   4           HZ3      TRP   4   6.957   1.303  -1.162
   28    HH2  TRP   4           HH2      TRP   4   7.878   2.168   0.962
   29    H    ALA   5           HN       ALA   5   2.064   1.993   0.925
   30    HA   ALA   5           HA       ALA   5   3.687  -0.188   0.017
   31    HB1  ALA   5           HB1      ALA   5   3.566   1.224   2.297
   32    HB2  ALA   5           HB2      ALA   5   4.319  -0.379   2.211
   33    HB3  ALA   5           HB3      ALA   5   2.659  -0.208   2.830
   34    H    VAL   6           HN       VAL   6   0.317   0.110   0.471
   35    HA   VAL   6           HA       VAL   6  -0.265  -2.578   1.243
   36    HB   VAL   6           HB       VAL   6  -2.094  -0.807  -0.378
   37   HG11  VAL   6          HG11      VAL   6  -3.860  -1.983   0.856
   38   HG12  VAL   6          HG12      VAL   6  -2.623  -2.934   1.714
   39   HG13  VAL   6          HG13      VAL   6  -2.833  -3.125  -0.044
   40   HG21  VAL   6          HG21      VAL   6  -1.429   0.613   1.348
   41   HG22  VAL   6          HG22      VAL   6  -1.333  -0.683   2.547
   42   HG23  VAL   6          HG23      VAL   6  -2.916  -0.100   1.971
   43    H    GLY   7           HN       GLY   7   0.562  -1.063  -1.777
   44    HA2  GLY   7           HA2      GLY   7  -0.491  -3.295  -3.400
   45    HA3  GLY   7           HA1      GLY   7   0.391  -1.868  -3.975
   46    H    HIS   8           HN       HIS   8   2.741  -1.874  -2.712
   47    HA   HIS   8           HA       HIS   8   4.162  -3.984  -4.061
   48    HB2  HIS   8           HB2      HIS   8   4.865  -1.760  -2.187
   49    HB3  HIS   8           HB1      HIS   8   6.064  -3.040  -2.441
   50    HD1  HIS   8           HD1      HIS   8   7.763  -1.944  -3.901
   51    HD2  HIS   8           HD2      HIS   8   3.859  -1.150  -5.153
   52    HE1  HIS   8           HE1      HIS   8   7.955  -0.779  -6.148
   53    H    LEU   9           HN       LEU   9   3.957  -3.252  -0.548
   54    HA   LEU   9           HA       LEU   9   5.043  -5.798   0.221
   55    HB2  LEU   9           HB2      LEU   9   3.217  -4.140   1.958
   56    HB3  LEU   9           HB1      LEU   9   4.577  -5.167   2.433
   57    HG   LEU   9           HG       LEU   9   4.699  -2.473   1.067
   58   HD11  LEU   9          HD11      LEU   9   5.899  -1.827   3.147
   59   HD12  LEU   9          HD12      LEU   9   5.583  -3.453   3.795
   60   HD13  LEU   9          HD13      LEU   9   4.226  -2.353   3.458
   61   HD21  LEU   9          HD21      LEU   9   7.195  -2.751   1.374
   62   HD22  LEU   9          HD22      LEU   9   6.475  -3.800   0.130
   63   HD23  LEU   9          HD23      LEU   9   6.882  -4.466   1.729
   64    H    MET  10           HN       MET  10   1.711  -4.566   0.783
   65    HA   MET  10           HA       MET  10   0.739  -7.336   1.016
   66    HB2  MET  10           HB2      MET  10  -0.375  -4.609   1.432
   67    HB3  MET  10           HB1      MET  10  -1.528  -5.898   1.121
   68    HG2  MET  10           HG2      MET  10  -1.404  -5.865   3.436
   69    HG3  MET  10           HG1      MET  10  -0.236  -7.132   3.030
   70    HE1  MET  10           HE1      MET  10   1.757  -7.247   4.553
   71    HE2  MET  10           HE2      MET  10   2.366  -6.758   2.953
   72    HE3  MET  10           HE3      MET  10   3.007  -5.986   4.423
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1  -6.917   6.126  -0.445
    2    H2   GLY   1           HT2      GLY   1  -8.616   6.099  -0.412
    3    H3   GLY   1           HT3      GLY   1  -7.790   6.102  -1.898
    4    HA2  GLY   1           HA1      GLY   1  -8.673   3.946  -0.461
    5    HA3  GLY   1           HA2      GLY   1  -7.679   3.951  -1.930
    6    H    ASN   2           HN       ASN   2  -6.917   1.906  -0.882
    7    HA   ASN   2           HA       ASN   2  -5.456   1.811   1.512
    8    HB2  ASN   2           HB2      ASN   2  -4.178  -0.042   0.367
    9    HB3  ASN   2           HB1      ASN   2  -5.928  -0.226   0.367
   10   HD21  ASN   2          HD21      ASN   2  -3.026   0.428  -1.544
   11   HD22  ASN   2          HD22      ASN   2  -3.797   0.230  -3.121
   12    H    HIS   3           HN       HIS   3  -3.260   1.957   2.052
   13    HA   HIS   3           HA       HIS   3  -1.909   4.220   0.964
   14    HB2  HIS   3           HB2      HIS   3  -1.236   2.030   2.880
   15    HB3  HIS   3           HB1      HIS   3   0.118   2.952   2.209
   16    HD1  HIS   3           HD1      HIS   3   0.789   4.622   3.898
   17    HD2  HIS   3           HD2      HIS   3  -3.359   4.335   3.523
   18    HE1  HIS   3           HE1      HIS   3  -0.194   6.304   5.525
   19    H    TRP   4           HN       TRP   4   0.580   3.905   0.386
   20    HA   TRP   4           HA       TRP   4   0.533   2.622  -2.238
   21    HB2  TRP   4           HB2      TRP   4   2.770   3.522  -2.492
   22    HB3  TRP   4           HB1      TRP   4   1.701   4.759  -1.805
   23    HD1  TRP   4           HD1      TRP   4   2.117   5.434   0.795
   24    HE1  TRP   4           HE1      TRP   4   4.199   5.222   2.332
   25    HE3  TRP   4           HE3      TRP   4   4.767   2.065  -1.980
   26    HZ2  TRP   4           HZ2      TRP   4   6.614   3.799   2.315
   27    HZ3  TRP   4           HZ3      TRP   4   6.964   1.321  -1.158
   28    HH2  TRP   4           HH2      TRP   4   7.875   2.182   0.970
   29    H    ALA   5           HN       ALA   5   2.063   1.994   0.913
   30    HA   ALA   5           HA       ALA   5   3.695  -0.182  -0.002
   31    HB1  ALA   5           HB1      ALA   5   3.505   1.236   2.294
   32    HB2  ALA   5           HB2      ALA   5   4.365  -0.300   2.175
   33    HB3  ALA   5           HB3      ALA   5   2.703  -0.258   2.810
   34    H    VAL   6           HN       VAL   6   0.322   0.110   0.475
   35    HA   VAL   6           HA       VAL   6  -0.242  -2.584   1.233
   36    HB   VAL   6           HB       VAL   6  -2.090  -0.801  -0.354
   37   HG11  VAL   6          HG11      VAL   6  -2.443  -3.139   1.515
   38   HG12  VAL   6          HG12      VAL   6  -3.051  -2.935  -0.135
   39   HG13  VAL   6          HG13      VAL   6  -3.777  -2.028   1.201
   40   HG21  VAL   6          HG21      VAL   6  -1.409   0.596   1.362
   41   HG22  VAL   6          HG22      VAL   6  -1.277  -0.698   2.546
   42   HG23  VAL   6          HG23      VAL   6  -2.869  -0.105   2.054
   43    H    GLY   7           HN       GLY   7   0.557  -1.048  -1.780
   44    HA2  GLY   7           HA2      GLY   7  -0.507  -3.275  -3.407
   45    HA3  GLY   7           HA1      GLY   7   0.357  -1.837  -3.982
   46    H    HIS   8           HN       HIS   8   2.702  -1.892  -2.583
   47    HA   HIS   8           HA       HIS   8   4.125  -3.980  -4.015
   48    HB2  HIS   8           HB2      HIS   8   4.848  -1.743  -2.155
   49    HB3  HIS   8           HB1      HIS   8   6.048  -3.017  -2.445
   50    HD1  HIS   8           HD1      HIS   8   7.705  -1.920  -3.947
   51    HD2  HIS   8           HD2      HIS   8   3.770  -1.118  -5.089
   52    HE1  HIS   8           HE1      HIS   8   7.835  -0.742  -6.192
   53    H    LEU   9           HN       LEU   9   4.069  -3.205  -0.508
   54    HA   LEU   9           HA       LEU   9   5.223  -5.604   0.381
   55    HB2  LEU   9           HB2      LEU   9   3.006  -4.173   1.856
   56    HB3  LEU   9           HB1      LEU   9   4.338  -5.117   2.526
   57    HG   LEU   9           HG       LEU   9   4.532  -2.407   1.201
   58   HD11  LEU   9          HD11      LEU   9   4.855  -3.387   4.037
   59   HD12  LEU   9          HD12      LEU   9   3.681  -2.207   3.432
   60   HD13  LEU   9          HD13      LEU   9   5.409  -1.789   3.505
   61   HD21  LEU   9          HD21      LEU   9   6.946  -2.549   1.925
   62   HD22  LEU   9          HD22      LEU   9   6.500  -3.625   0.583
   63   HD23  LEU   9          HD23      LEU   9   6.667  -4.279   2.230
   64    H    MET  10           HN       MET  10   1.709  -4.901   0.610
   65    HA   MET  10           HA       MET  10   1.231  -7.857   0.317
   66    HB2  MET  10           HB2      MET  10  -0.922  -7.429   1.398
   67    HB3  MET  10           HB1      MET  10   0.430  -6.900   2.417
   68    HG2  MET  10           HG2      MET  10   0.043  -4.607   1.504
   69    HG3  MET  10           HG1      MET  10  -1.474  -5.184   0.794
   70    HE1  MET  10           HE1      MET  10  -0.121  -3.187   3.525
   71    HE2  MET  10           HE2      MET  10  -0.658  -3.887   5.071
   72    HE3  MET  10           HE3      MET  10   0.601  -4.703   4.115
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1  -7.903   5.821   2.871
    2    H2   GLY   1           HT2      GLY   1  -6.319   5.318   2.516
    3    H3   GLY   1           HT3      GLY   1  -7.011   4.962   4.028
    4    HA2  GLY   1           HA1      GLY   1  -8.369   3.362   3.221
    5    HA3  GLY   1           HA2      GLY   1  -8.288   4.027   1.579
    6    H    ASN   2           HN       ASN   2  -6.782   3.306   0.167
    7    HA   ASN   2           HA       ASN   2  -5.072   1.057   1.152
    8    HB2  ASN   2           HB2      ASN   2  -5.839   1.897  -1.658
    9    HB3  ASN   2           HB1      ASN   2  -4.858   0.482  -1.230
   10   HD21  ASN   2          HD21      ASN   2  -7.394   0.540  -2.702
   11   HD22  ASN   2          HD22      ASN   2  -8.533  -0.408  -1.740
   12    H    HIS   3           HN       HIS   3  -3.267   1.973   2.003
   13    HA   HIS   3           HA       HIS   3  -1.916   4.241   0.907
   14    HB2  HIS   3           HB2      HIS   3  -1.251   2.071   2.851
   15    HB3  HIS   3           HB1      HIS   3   0.101   3.007   2.192
   16    HD1  HIS   3           HD1      HIS   3   0.272   5.486   2.911
   17    HD2  HIS   3           HD2      HIS   3  -2.830   3.337   4.696
   18    HE1  HIS   3           HE1      HIS   3  -0.634   6.951   4.775
   19    H    TRP   4           HN       TRP   4   0.585   3.906   0.371
   20    HA   TRP   4           HA       TRP   4   0.565   2.601  -2.242
   21    HB2  TRP   4           HB2      TRP   4   2.803   3.494  -2.483
   22    HB3  TRP   4           HB1      TRP   4   1.735   4.738  -1.810
   23    HD1  TRP   4           HD1      TRP   4   2.137   5.419   0.794
   24    HE1  TRP   4           HE1      TRP   4   4.211   5.204   2.343
   25    HE3  TRP   4           HE3      TRP   4   4.789   2.035  -1.957
   26    HZ2  TRP   4           HZ2      TRP   4   6.620   3.772   2.343
   27    HZ3  TRP   4           HZ3      TRP   4   6.979   1.281  -1.121
   28    HH2  TRP   4           HH2      TRP   4   7.882   2.144   1.009
   29    H    ALA   5           HN       ALA   5   2.046   1.996   0.936
   30    HA   ALA   5           HA       ALA   5   3.682  -0.196   0.060
   31    HB1  ALA   5           HB1      ALA   5   3.416   1.245   2.366
   32    HB2  ALA   5           HB2      ALA   5   4.355  -0.248   2.226
   33    HB3  ALA   5           HB3      ALA   5   2.691  -0.298   2.860
   34    H    VAL   6           HN       VAL   6   0.307   0.115   0.495
   35    HA   VAL   6           HA       VAL   6  -0.285  -2.603   1.267
   36    HB   VAL   6           HB       VAL   6  -2.103  -0.799  -0.348
   37   HG11  VAL   6          HG11      VAL   6  -2.848  -3.116  -0.009
   38   HG12  VAL   6          HG12      VAL   6  -3.871  -1.969   0.888
   39   HG13  VAL   6          HG13      VAL   6  -2.638  -2.923   1.747
   40   HG21  VAL   6          HG21      VAL   6  -1.184   0.500   1.474
   41   HG22  VAL   6          HG22      VAL   6  -1.605  -0.765   2.649
   42   HG23  VAL   6          HG23      VAL   6  -2.892   0.136   1.802
   43    H    GLY   7           HN       GLY   7   0.557  -1.061  -1.746
   44    HA2  GLY   7           HA2      GLY   7  -0.499  -3.297  -3.369
   45    HA3  GLY   7           HA1      GLY   7   0.374  -1.866  -3.946
   46    H    HIS   8           HN       HIS   8   2.734  -1.833  -2.784
   47    HA   HIS   8           HA       HIS   8   4.164  -3.932  -4.109
   48    HB2  HIS   8           HB2      HIS   8   4.886  -1.776  -2.142
   49    HB3  HIS   8           HB1      HIS   8   6.082  -3.021  -2.548
   50    HD1  HIS   8           HD1      HIS   8   7.678  -1.567  -3.870
   51    HD2  HIS   8           HD2      HIS   8   3.774  -1.558  -5.354
   52    HE1  HIS   8           HE1      HIS   8   7.751  -0.305  -6.070
   53    H    LEU   9           HN       LEU   9   3.848  -3.266  -0.591
   54    HA   LEU   9           HA       LEU   9   5.007  -5.778   0.181
   55    HB2  LEU   9           HB2      LEU   9   3.038  -4.225   1.863
   56    HB3  LEU   9           HB1      LEU   9   4.406  -5.216   2.383
   57    HG   LEU   9           HG       LEU   9   4.564  -2.517   1.022
   58   HD11  LEU   9          HD11      LEU   9   3.856  -2.256   3.301
   59   HD12  LEU   9          HD12      LEU   9   5.598  -1.879   3.246
   60   HD13  LEU   9          HD13      LEU   9   5.044  -3.453   3.852
   61   HD21  LEU   9          HD21      LEU   9   6.440  -3.886   0.328
   62   HD22  LEU   9          HD22      LEU   9   6.727  -4.387   2.012
   63   HD23  LEU   9          HD23      LEU   9   6.998  -2.696   1.525
   64    H    MET  10           HN       MET  10   1.605  -4.712   0.637
   65    HA   MET  10           HA       MET  10   0.780  -7.569   0.612
   66    HB2  MET  10           HB2      MET  10  -0.417  -4.974   1.496
   67    HB3  MET  10           HB1      MET  10  -1.531  -6.275   1.037
   68    HG2  MET  10           HG2      MET  10  -1.313  -6.701   3.280
   69    HG3  MET  10           HG1      MET  10   0.029  -7.687   2.688
   70    HE1  MET  10           HE1      MET  10  -0.164  -3.905   5.065
   71    HE2  MET  10           HE2      MET  10   0.310  -3.405   3.426
   72    HE3  MET  10           HE3      MET  10  -1.177  -4.351   3.672
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1  -8.715   0.347   4.183
    2    H2   GLY   1           HT2      GLY   1  -8.870   1.232   5.625
    3    H3   GLY   1           HT3      GLY   1  -8.425  -0.407   5.672
    4    HA2  GLY   1           HA1      GLY   1  -6.825   1.875   5.433
    5    HA3  GLY   1           HA2      GLY   1  -6.353   0.185   5.684
    6    H    ASN   2           HN       ASN   2  -5.792   2.734   3.775
    7    HA   ASN   2           HA       ASN   2  -4.994   0.978   1.506
    8    HB2  ASN   2           HB2      ASN   2  -7.067   1.715   0.653
    9    HB3  ASN   2           HB1      ASN   2  -6.858   3.350   1.310
   10   HD21  ASN   2          HD21      ASN   2  -5.614   4.880   0.191
   11   HD22  ASN   2          HD22      ASN   2  -5.024   4.580  -1.448
   12    H    HIS   3           HN       HIS   3  -3.120   1.541   0.572
   13    HA   HIS   3           HA       HIS   3  -2.053   4.224   0.710
   14    HB2  HIS   3           HB2      HIS   3  -1.698   2.855   3.050
   15    HB3  HIS   3           HB1      HIS   3  -0.214   2.406   2.195
   16    HD1  HIS   3           HD1      HIS   3   1.413   3.786   3.542
   17    HD2  HIS   3           HD2      HIS   3  -1.866   6.003   2.240
   18    HE1  HIS   3           HE1      HIS   3   1.985   6.224   3.951
   19    H    TRP   4           HN       TRP   4   0.605   3.837   0.398
   20    HA   TRP   4           HA       TRP   4   0.670   2.567  -2.251
   21    HB2  TRP   4           HB2      TRP   4   2.902   3.477  -2.413
   22    HB3  TRP   4           HB1      TRP   4   1.808   4.713  -1.771
   23    HD1  TRP   4           HD1      TRP   4   2.133   5.404   0.837
   24    HE1  TRP   4           HE1      TRP   4   4.154   5.189   2.451
   25    HE3  TRP   4           HE3      TRP   4   4.865   2.001  -1.814
   26    HZ2  TRP   4           HZ2      TRP   4   6.557   3.751   2.539
   27    HZ3  TRP   4           HZ3      TRP   4   7.023   1.247  -0.901
   28    HH2  TRP   4           HH2      TRP   4   7.858   2.115   1.254
   29    H    ALA   5           HN       ALA   5   2.025   1.977   0.986
   30    HA   ALA   5           HA       ALA   5   3.690  -0.221   0.164
   31    HB1  ALA   5           HB1      ALA   5   4.354  -0.180   2.329
   32    HB2  ALA   5           HB2      ALA   5   2.692  -0.347   2.944
   33    HB3  ALA   5           HB3      ALA   5   3.317   1.247   2.475
   34    H    VAL   6           HN       VAL   6   0.305   0.104   0.577
   35    HA   VAL   6           HA       VAL   6  -0.280  -2.596   1.351
   36    HB   VAL   6           HB       VAL   6  -2.115  -0.805  -0.248
   37   HG11  VAL   6          HG11      VAL   6  -2.867  -3.113   0.082
   38   HG12  VAL   6          HG12      VAL   6  -3.871  -1.980   1.019
   39   HG13  VAL   6          HG13      VAL   6  -2.618  -2.947   1.836
   40   HG21  VAL   6          HG21      VAL   6  -1.351  -0.697   2.676
   41   HG22  VAL   6          HG22      VAL   6  -2.917  -0.083   2.092
   42   HG23  VAL   6          HG23      VAL   6  -1.407   0.620   1.486
   43    H    GLY   7           HN       GLY   7   0.551  -1.059  -1.660
   44    HA2  GLY   7           HA2      GLY   7  -0.520  -3.281  -3.293
   45    HA3  GLY   7           HA1      GLY   7   0.346  -1.843  -3.865
   46    H    HIS   8           HN       HIS   8   2.724  -1.761  -2.960
   47    HA   HIS   8           HA       HIS   8   4.143  -3.838  -4.243
   48    HB2  HIS   8           HB2      HIS   8   4.823  -1.675  -2.299
   49    HB3  HIS   8           HB1      HIS   8   6.032  -2.950  -2.538
   50    HD1  HIS   8           HD1      HIS   8   7.606  -2.602  -4.414
   51    HD2  HIS   8           HD2      HIS   8   4.145  -0.301  -4.793
   52    HE1  HIS   8           HE1      HIS   8   7.905  -1.202  -6.511
   53    H    LEU   9           HN       LEU   9   3.727  -3.319  -0.713
   54    HA   LEU   9           HA       LEU   9   4.907  -5.891  -0.070
   55    HB2  LEU   9           HB2      LEU   9   3.092  -4.318   1.756
   56    HB3  LEU   9           HB1      LEU   9   4.444  -5.377   2.171
   57    HG   LEU   9           HG       LEU   9   4.704  -2.692   0.807
   58   HD11  LEU   9          HD11      LEU   9   3.899  -2.354   3.059
   59   HD12  LEU   9          HD12      LEU   9   5.642  -1.982   3.031
   60   HD13  LEU   9          HD13      LEU   9   5.070  -3.529   3.692
   61   HD21  LEU   9          HD21      LEU   9   6.551  -4.184   0.258
   62   HD22  LEU   9          HD22      LEU   9   6.742  -4.612   1.975
   63   HD23  LEU   9          HD23      LEU   9   7.109  -2.960   1.423
   64    H    MET  10           HN       MET  10   1.574  -4.667   0.510
   65    HA   MET  10           HA       MET  10   0.595  -7.450   0.604
   66    HB2  MET  10           HB2      MET  10  -0.495  -4.753   1.215
   67    HB3  MET  10           HB1      MET  10  -1.663  -6.006   0.815
   68    HG2  MET  10           HG2      MET  10  -1.497  -6.064   3.147
   69    HG3  MET  10           HG1      MET  10  -0.461  -7.400   2.621
   70    HE1  MET  10           HE1      MET  10  -0.686  -4.782   5.225
   71    HE2  MET  10           HE2      MET  10   0.670  -3.661   4.959
   72    HE3  MET  10           HE3      MET  10  -0.674  -3.723   3.794
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1  -8.101   5.747   1.335
    2    H2   GLY   1           HT2      GLY   1  -9.139   4.638   2.098
    3    H3   GLY   1           HT3      GLY   1  -9.674   5.521   0.748
    4    HA2  GLY   1           HA1      GLY   1  -9.200   3.315   0.095
    5    HA3  GLY   1           HA2      GLY   1  -8.035   4.443  -0.625
    6    H    ASN   2           HN       ASN   2  -6.524   2.769  -0.932
    7    HA   ASN   2           HA       ASN   2  -5.335   1.681   1.608
    8    HB2  ASN   2           HB2      ASN   2  -4.952   0.670  -1.216
    9    HB3  ASN   2           HB1      ASN   2  -4.454  -0.106   0.282
   10   HD21  ASN   2          HD21      ASN   2  -7.202   0.762  -1.771
   11   HD22  ASN   2          HD22      ASN   2  -8.338  -0.370  -1.031
   12    H    HIS   3           HN       HIS   3  -3.225   1.965   2.085
   13    HA   HIS   3           HA       HIS   3  -1.894   4.239   0.973
   14    HB2  HIS   3           HB2      HIS   3  -1.213   2.066   2.901
   15    HB3  HIS   3           HB1      HIS   3   0.146   2.965   2.208
   16    HD1  HIS   3           HD1      HIS   3  -0.918   2.966   5.251
   17    HD2  HIS   3           HD2      HIS   3  -1.263   5.961   2.384
   18    HE1  HIS   3           HE1      HIS   3  -1.392   5.119   6.510
   19    H    TRP   4           HN       TRP   4   0.595   3.904   0.385
   20    HA   TRP   4           HA       TRP   4   0.508   2.616  -2.236
   21    HB2  TRP   4           HB2      TRP   4   2.746   3.502  -2.519
   22    HB3  TRP   4           HB1      TRP   4   1.692   4.745  -1.825
   23    HD1  TRP   4           HD1      TRP   4   2.139   5.420   0.773
   24    HE1  TRP   4           HE1      TRP   4   4.242   5.206   2.281
   25    HE3  TRP   4           HE3      TRP   4   4.746   2.045  -2.035
   26    HZ2  TRP   4           HZ2      TRP   4   6.653   3.780   2.234
   27    HZ3  TRP   4           HZ3      TRP   4   6.954   1.296  -1.239
   28    HH2  TRP   4           HH2      TRP   4   7.893   2.158   0.875
   29    H    ALA   5           HN       ALA   5   2.070   1.991   0.899
   30    HA   ALA   5           HA       ALA   5   3.687  -0.194  -0.018
   31    HB1  ALA   5           HB1      ALA   5   2.729  -0.310   2.793
   32    HB2  ALA   5           HB2      ALA   5   3.450   1.227   2.297
   33    HB3  ALA   5           HB3      ALA   5   4.384  -0.259   2.146
   34    H    VAL   6           HN       VAL   6   0.315   0.107   0.451
   35    HA   VAL   6           HA       VAL   6  -0.269  -2.611   1.217
   36    HB   VAL   6           HB       VAL   6  -2.084  -0.794  -0.388
   37   HG11  VAL   6          HG11      VAL   6  -3.147  -2.449   1.830
   38   HG12  VAL   6          HG12      VAL   6  -2.452  -3.381   0.487
   39   HG13  VAL   6          HG13      VAL   6  -3.754  -2.238   0.178
   40   HG21  VAL   6          HG21      VAL   6  -2.873   0.102   1.819
   41   HG22  VAL   6          HG22      VAL   6  -1.195   0.503   1.422
   42   HG23  VAL   6          HG23      VAL   6  -1.542  -0.779   2.593
   43    H    GLY   7           HN       GLY   7   0.556  -1.063  -1.799
   44    HA2  GLY   7           HA2      GLY   7  -0.496  -3.308  -3.412
   45    HA3  GLY   7           HA1      GLY   7   0.352  -1.864  -3.998
   46    H    HIS   8           HN       HIS   8   2.690  -1.900  -2.562
   47    HA   HIS   8           HA       HIS   8   4.147  -3.971  -3.997
   48    HB2  HIS   8           HB2      HIS   8   4.955  -1.874  -1.975
   49    HB3  HIS   8           HB1      HIS   8   6.109  -3.022  -2.680
   50    HD1  HIS   8           HD1      HIS   8   7.474  -1.465  -4.114
   51    HD2  HIS   8           HD2      HIS   8   3.367  -0.928  -4.633
   52    HE1  HIS   8           HE1      HIS   8   7.201   0.057  -6.127
   53    H    LEU   9           HN       LEU   9   4.080  -3.177  -0.491
   54    HA   LEU   9           HA       LEU   9   5.257  -5.557   0.412
   55    HB2  LEU   9           HB2      LEU   9   3.030  -4.141   1.886
   56    HB3  LEU   9           HB1      LEU   9   4.383  -5.057   2.554
   57    HG   LEU   9           HG       LEU   9   4.517  -2.356   1.208
   58   HD11  LEU   9          HD11      LEU   9   3.687  -2.193   3.467
   59   HD12  LEU   9          HD12      LEU   9   5.395  -1.693   3.494
   60   HD13  LEU   9          HD13      LEU   9   4.930  -3.310   4.042
   61   HD21  LEU   9          HD21      LEU   9   6.700  -4.186   2.217
   62   HD22  LEU   9          HD22      LEU   9   6.944  -2.451   1.901
   63   HD23  LEU   9          HD23      LEU   9   6.499  -3.544   0.572
   64    H    MET  10           HN       MET  10   1.737  -4.882   0.640
   65    HA   MET  10           HA       MET  10   1.117  -7.679   0.996
   66    HB2  MET  10           HB2      MET  10  -0.190  -5.358   1.471
   67    HB3  MET  10           HB1      MET  10  -1.021  -5.857  -0.007
   68    HG2  MET  10           HG2      MET  10  -1.456  -8.072   1.062
   69    HG3  MET  10           HG1      MET  10  -0.785  -7.417   2.569
   70    HE1  MET  10           HE1      MET  10  -1.932  -4.319   2.500
   71    HE2  MET  10           HE2      MET  10  -3.297  -4.652   3.576
   72    HE3  MET  10           HE3      MET  10  -1.726  -5.437   3.856
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1  -6.314   3.232   5.305
    2    H2   GLY   1           HT2      GLY   1  -6.454   4.074   3.836
    3    H3   GLY   1           HT3      GLY   1  -5.122   3.057   4.116
    4    HA2  GLY   1           HA1      GLY   1  -6.991   1.304   4.472
    5    HA3  GLY   1           HA2      GLY   1  -7.850   2.421   3.395
    6    H    ASN   2           HN       ASN   2  -6.198   3.265   1.567
    7    HA   ASN   2           HA       ASN   2  -5.004   0.763   0.381
    8    HB2  ASN   2           HB2      ASN   2  -5.575   1.761  -1.824
    9    HB3  ASN   2           HB1      ASN   2  -6.991   1.353  -0.838
   10   HD21  ASN   2          HD21      ASN   2  -8.044   2.874  -2.418
   11   HD22  ASN   2          HD22      ASN   2  -8.007   4.594  -2.021
   12    H    HIS   3           HN       HIS   3  -3.295   1.993   1.936
   13    HA   HIS   3           HA       HIS   3  -1.919   4.243   0.834
   14    HB2  HIS   3           HB2      HIS   3  -1.317   2.114   2.835
   15    HB3  HIS   3           HB1      HIS   3   0.070   2.999   2.178
   16    HD1  HIS   3           HD1      HIS   3   0.517   5.259   3.168
   17    HD2  HIS   3           HD2      HIS   3  -3.342   3.899   3.991
   18    HE1  HIS   3           HE1      HIS   3  -0.452   6.856   4.889
   19    H    TRP   4           HN       TRP   4   0.580   3.921   0.333
   20    HA   TRP   4           HA       TRP   4   0.614   2.575  -2.252
   21    HB2  TRP   4           HB2      TRP   4   2.865   3.452  -2.454
   22    HB3  TRP   4           HB1      TRP   4   1.785   4.709  -1.825
   23    HD1  TRP   4           HD1      TRP   4   2.130   5.435   0.772
   24    HE1  TRP   4           HE1      TRP   4   4.163   5.234   2.375
   25    HE3  TRP   4           HE3      TRP   4   4.828   1.985  -1.852
   26    HZ2  TRP   4           HZ2      TRP   4   6.561   3.789   2.461
   27    HZ3  TRP   4           HZ3      TRP   4   6.991   1.237  -0.948
   28    HH2  TRP   4           HH2      TRP   4   7.846   2.133   1.188
   29    H    ALA   5           HN       ALA   5   2.032   2.000   0.958
   30    HA   ALA   5           HA       ALA   5   3.673  -0.215   0.140
   31    HB1  ALA   5           HB1      ALA   5   4.365   0.511   2.200
   32    HB2  ALA   5           HB2      ALA   5   3.228  -0.731   2.775
   33    HB3  ALA   5           HB3      ALA   5   2.722   0.968   2.692
   34    H    VAL   6           HN       VAL   6   0.291   0.124   0.521
   35    HA   VAL   6           HA       VAL   6  -0.322  -2.584   1.316
   36    HB   VAL   6           HB       VAL   6  -2.113  -0.780  -0.329
   37   HG11  VAL   6          HG11      VAL   6  -2.991  -2.566   1.922
   38   HG12  VAL   6          HG12      VAL   6  -2.627  -3.295   0.346
   39   HG13  VAL   6          HG13      VAL   6  -3.878  -2.048   0.476
   40   HG21  VAL   6          HG21      VAL   6  -1.202   0.526   1.485
   41   HG22  VAL   6          HG22      VAL   6  -1.644  -0.720   2.672
   42   HG23  VAL   6          HG23      VAL   6  -2.916   0.180   1.804
   43    H    GLY   7           HN       GLY   7   0.567  -1.075  -1.698
   44    HA2  GLY   7           HA2      GLY   7  -0.486  -3.325  -3.309
   45    HA3  GLY   7           HA1      GLY   7   0.380  -1.892  -3.895
   46    H    HIS   8           HN       HIS   8   2.745  -1.783  -2.977
   47    HA   HIS   8           HA       HIS   8   4.203  -3.845  -4.217
   48    HB2  HIS   8           HB2      HIS   8   4.868  -1.768  -2.154
   49    HB3  HIS   8           HB1      HIS   8   6.082  -2.993  -2.562
   50    HD1  HIS   8           HD1      HIS   8   7.734  -1.787  -3.972
   51    HD2  HIS   8           HD2      HIS   8   3.801  -0.814  -4.981
   52    HE1  HIS   8           HE1      HIS   8   7.863  -0.375  -6.078
   53    H    LEU   9           HN       LEU   9   4.068  -3.319  -0.666
   54    HA   LEU   9           HA       LEU   9   5.194  -5.780   0.075
   55    HB2  LEU   9           HB2      LEU   9   2.962  -4.428   1.600
   56    HB3  LEU   9           HB1      LEU   9   4.268  -5.433   2.238
   57    HG   LEU   9           HG       LEU   9   4.506  -2.638   1.107
   58   HD11  LEU   9          HD11      LEU   9   5.135  -3.695   3.870
   59   HD12  LEU   9          HD12      LEU   9   3.586  -2.936   3.440
   60   HD13  LEU   9          HD13      LEU   9   5.098  -1.996   3.348
   61   HD21  LEU   9          HD21      LEU   9   6.617  -4.611   1.989
   62   HD22  LEU   9          HD22      LEU   9   6.912  -2.859   1.857
   63   HD23  LEU   9          HD23      LEU   9   6.476  -3.801   0.411
   64    H    MET  10           HN       MET  10   1.679  -5.067   0.291
   65    HA   MET  10           HA       MET  10   1.026  -7.885   0.393
   66    HB2  MET  10           HB2      MET  10  -0.261  -5.547   1.041
   67    HB3  MET  10           HB1      MET  10  -1.130  -6.019  -0.427
   68    HG2  MET  10           HG2      MET  10  -1.507  -8.265   0.580
   69    HG3  MET  10           HG1      MET  10  -0.774  -7.664   2.081
   70    HE1  MET  10           HE1      MET  10  -1.649  -5.833   3.520
   71    HE2  MET  10           HE2      MET  10  -1.968  -4.595   2.288
   72    HE3  MET  10           HE3      MET  10  -3.252  -5.067   3.421