*HEADER    SIGNALING PROTEIN                       11-APR-11   2RRS              
*TITLE     NMR STRUCTURE OF LC4 TRANSMEMBRANE SEGMENT OF CCR5                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: C-C CHEMOKINE RECEPTOR TYPE 5;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: LC4 TRANSMEMBRANE SEGMENT, UNP RESIDUES 157-174;           
*COMPND   5 SYNONYM: C-C CKR-5, CC-CKR-5, CCR-5, CCR5, CHEMR13, HIV-1 FUSION     
*COMPND   6 CORECEPTOR;                                                          
*COMPND   7 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;                                                
*SOURCE   6 OTHER_DETAILS: SYNTHETIC PEPTIDE                                     
*KEYWDS    LC4, CCR5, HIV, TRANSMEMBRANE PROTEIN, GPCR, SIGNALING PROTEIN        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    K.MIYAMOTO                                                            
*REVDAT   1   11-APR-12 2RRS    0                                                


  2 PHE  HD2    10 PHE  H       4.88    
  9 ILE  QD1    10 PHE  H       4.37  
 15 LYS  HD2    16 GLU  H       5.50   
 15 LYS  HD3    16 GLU  H       5.50  
 15 LYS  HG2    16 GLU  H       5.50  
 15 LYS  HG3    16 GLU  H       5.50     
 12 ARG  HG2    13 SER  H       5.50    
 12 ARG  HG3    13 SER  H       5.50  
  9 ILE  H       9 ILE  HG12    4.13        
  9 ILE  H       9 ILE  HG13    4.13      
  2 PHE  HD2    11 THR  H       4.18   
  1 VAL  H       1 VAL  HB      2.97          
  8 ILE  H       8 ILE  QG2     5.00        
  8 ILE  H       8 ILE  QD1     5.50       
  1 VAL  H       1 VAL  QG2     3.85      
 11 THR  H      11 THR  QG2     3.95          
 11 THR  QG2    12 ARG  H       4.45         
 12 ARG  H      12 ARG  HG2     4.37        
 12 ARG  H      12 ARG  HG3     4.37         
  2 PHE  H       2 PHE  HD1     4.16        
  2 PHE  H       2 PHE  HB2     3.81       
  2 PHE  H       2 PHE  HB3     3.81      
  1 VAL  QG1     2 PHE  H       4.25        
  1 VAL  QG2     2 PHE  H       4.25          
  1 VAL  HB      2 PHE  H       3.51          
 15 LYS  H      15 LYS  HG2     5.23          
 15 LYS  H      15 LYS  HG3     5.23            
  5 LEU  H       5 LEU  QD1     4.85        
  5 LEU  H       5 LEU  QD2     4.85    
  4 SER  H       4 SER  HB2     3.71    
  4 SER  H       4 SER  HB3     3.71          
  1 VAL  HA      4 SER  H       4.54        
  3 ALA  QB      4 SER  H       3.60        
  1 VAL  HA      3 ALA  H       4.71        
  2 PHE  HB2     3 ALA  H       4.35        
  2 PHE  HB3     3 ALA  H       4.35     
  1 VAL  HB      3 ALA  H       5.06      
  3 ALA  H       3 ALA  QB      3.18       
  2 PHE  HA      2 PHE  HD1     3.33     
  5 LEU  HA      5 LEU  QD1     4.64         
  5 LEU  HA      5 LEU  QD2     4.64         
  3 ALA  QB     12 ARG  HD2     5.50        
  3 ALA  QB     12 ARG  HD3     5.50      
 10 PHE  HB2    11 THR  QG2     5.50        
 10 PHE  HB3    11 THR  QG2     5.50       
  9 ILE  QD1    10 PHE  HB2     5.50        
  9 ILE  QD1    10 PHE  HB3     5.50           
  2 PHE  HD2     8 ILE  HB      5.29         
  8 ILE  HB     10 PHE  H       3.83          
  2 PHE  HD2     9 ILE  QG2     5.50          
  1 VAL  H       1 VAL  QG1     3.85          
  9 ILE  QD1    13 SER  H       4.84         
  9 ILE  H       9 ILE  HB      3.89        
  9 ILE  HA     13 SER  H       4.89        
  1 VAL  H       1 VAL  QQG     3.22      
  1 VAL  QQG     2 PHE  H       3.71    
  2 PHE  QB      3 ALA  H       3.74     
  3 ALA  H       4 SER  QB      5.32  
  3 ALA  HA     12 ARG  QG      4.21         
  3 ALA  HA     12 ARG  QD      4.22         
  4 SER  H       4 SER  QB      3.12       
  5 LEU  H       5 LEU  QB      3.18      
  5 LEU  H       5 LEU  QQD     3.97         
  5 LEU  HA      5 LEU  QQD     4.01        
  5 LEU  QB      6 PRO  QD      4.20           
  5 LEU  QB      7 GLY  H       5.06           
  5 LEU  QQD     7 GLY  H       4.45       
  6 PRO  QD      7 GLY  H       4.63         
  8 ILE  H       8 ILE  QG1     3.95         
  8 ILE  HA      8 ILE  QG1     3.71          
  8 ILE  HB     10 PHE  QB      3.66         
  8 ILE  QG1    10 PHE  QB      3.31           
  8 ILE  QG1    10 PHE  HD1     5.12           
  8 ILE  QG1    10 PHE  HD2     5.34           
  8 ILE  QD1    10 PHE  QB      4.95          
  9 ILE  H       9 ILE  QG1     3.63           
  9 ILE  HA     10 PHE  QB      5.32         
  9 ILE  QG2     9 ILE  QG1     3.35       
  9 ILE  QG1    10 PHE  H       4.49          
 10 PHE  H      10 PHE  QB      3.69         
 10 PHE  QB     11 THR  H       3.84          
 12 ARG  H      12 ARG  QG      3.79         
 12 ARG  QB     13 SER  H       3.62          
 12 ARG  QG     13 SER  H       4.73          
 12 ARG  QD     13 SER  H       5.18           
 14 GLN  H      14 GLN  QB      3.53         
 14 GLN  HA     14 GLN  QE2     4.91         
 15 LYS  H      15 LYS  QB      3.22        
 15 LYS  H      15 LYS  QG      4.47      
 16 GLU  H      16 GLU  QB      3.63       
 16 GLU  H      16 GLU  QG      3.78          

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H        VAL   1   1.807   0.001   0.856
    2    HA   VAL   1           HA       VAL   1   1.763   0.836  -1.838
    3    HB   VAL   1           HB       VAL   1   3.940  -0.693  -0.404
    4   HG11  VAL   1          1HG1      VAL   1   3.898   0.887  -2.962
    5   HG12  VAL   1          2HG1      VAL   1   5.389   0.524  -2.091
    6   HG13  VAL   1          3HG1      VAL   1   4.391  -0.788  -2.719
    7   HG21  VAL   1          3HG2      VAL   1   3.358   2.255  -0.605
    8   HG22  VAL   1          1HG2      VAL   1   3.493   1.271   0.852
    9   HG23  VAL   1          2HG2      VAL   1   4.926   1.609  -0.119
   10    H    PHE   2           H        PHE   2   2.238  -2.383  -0.395
   11    HA   PHE   2           HA       PHE   2   2.549  -3.822  -2.758
   12    HB2  PHE   2           2HB      PHE   2   1.744  -4.479   0.024
   13    HB3  PHE   2           3HB      PHE   2   1.364  -5.672  -1.215
   14    HD1  PHE   2           HD1      PHE   2   4.249  -3.478  -0.312
   15    HD2  PHE   2           HD2      PHE   2   2.900  -7.346  -1.464
   16    HE1  PHE   2           HE1      PHE   2   6.562  -4.312  -0.208
   17    HE2  PHE   2           HE2      PHE   2   5.210  -8.187  -1.361
   18    HZ   PHE   2           HZ       PHE   2   7.044  -6.669  -0.731
   19    H    ALA   3           H        ALA   3  -0.392  -2.941  -1.003
   20    HA   ALA   3           HA       ALA   3  -2.251  -4.406  -2.456
   21    HB1  ALA   3           1HB      ALA   3  -3.558  -3.448  -0.943
   22    HB2  ALA   3           2HB      ALA   3  -2.301  -2.272  -0.557
   23    HB3  ALA   3           3HB      ALA   3  -3.457  -1.935  -1.845
   24    H    SER   4           H        SER   4  -0.977  -1.151  -3.087
   25    HA   SER   4           HA       SER   4  -2.550  -0.642  -5.373
   26    HB2  SER   4           2HB      SER   4   0.194   0.498  -4.820
   27    HB3  SER   4           3HB      SER   4  -1.100   1.226  -5.771
   28    HG   SER   4           HG       SER   4  -0.930   2.092  -3.634
   29    H    LEU   5           H        LEU   5   0.679  -2.028  -4.967
   30    HA   LEU   5           HA       LEU   5   1.170  -2.285  -7.771
   31    HB2  LEU   5           2HB      LEU   5   2.522  -3.057  -5.264
   32    HB3  LEU   5           3HB      LEU   5   2.883  -4.051  -6.674
   33    HG   LEU   5           HG       LEU   5   3.135  -1.368  -7.498
   34   HD11  LEU   5          1HD1      LEU   5   4.269  -0.219  -5.923
   35   HD12  LEU   5          2HD1      LEU   5   5.018  -1.666  -5.247
   36   HD13  LEU   5          3HD1      LEU   5   3.355  -1.255  -4.826
   37   HD21  LEU   5          3HD2      LEU   5   4.931  -3.703  -7.042
   38   HD22  LEU   5          1HD2      LEU   5   5.641  -2.132  -7.414
   39   HD23  LEU   5          2HD2      LEU   5   4.511  -2.879  -8.544
   40    HA   PRO   6           HA       PRO   6  -0.761  -6.105  -8.736
   41    HB2  PRO   6           2HB      PRO   6   1.076  -7.305 -10.335
   42    HB3  PRO   6           3HB      PRO   6   0.119  -5.910 -10.849
   43    HG2  PRO   6           2HG      PRO   6   2.932  -6.006  -9.829
   44    HG3  PRO   6           3HG      PRO   6   2.264  -5.076 -11.183
   45    HD2  PRO   6           2HD      PRO   6   2.741  -3.976  -8.755
   46    HD3  PRO   6           3HD      PRO   6   1.413  -3.438  -9.803
   47    H    GLY   7           H        GLY   7   2.277  -6.105  -7.104
   48    HA2  GLY   7           2HA      GLY   7   2.859  -8.789  -6.797
   49    HA3  GLY   7           3HA      GLY   7   3.178  -7.565  -5.577
   50    H    ILE   8           H        ILE   8   2.654 -10.021  -4.675
   51    HA   ILE   8           HA       ILE   8  -0.001 -10.765  -4.283
   52    HB   ILE   8           HB       ILE   8   0.751 -12.084  -2.405
   53   HG12  ILE   8          2HG1      ILE   8   3.321 -10.497  -2.587
   54   HG13  ILE   8          3HG1      ILE   8   2.128 -10.378  -1.298
   55   HG21  ILE   8          1HG2      ILE   8   1.333 -12.807  -4.700
   56   HG22  ILE   8          2HG2      ILE   8   2.907 -12.036  -4.510
   57   HG23  ILE   8          3HG2      ILE   8   2.462 -13.396  -3.480
   58   HD11  ILE   8          3HD1      ILE   8   2.592 -12.934  -1.042
   59   HD12  ILE   8          1HD1      ILE   8   4.096 -12.533  -1.870
   60   HD13  ILE   8          2HD1      ILE   8   3.692 -11.746  -0.344
   61    H    ILE   9           H        ILE   9  -1.485 -10.404  -2.633
   62    HA   ILE   9           HA       ILE   9  -1.168  -7.839  -1.270
   63    HB   ILE   9           HB       ILE   9  -3.568  -7.975  -0.815
   64   HG12  ILE   9          2HG1      ILE   9  -4.564 -10.000  -2.374
   65   HG13  ILE   9          3HG1      ILE   9  -3.140 -10.755  -1.666
   66   HG21  ILE   9          1HG2      ILE   9  -4.338  -7.617  -3.036
   67   HG22  ILE   9          2HG2      ILE   9  -2.662  -7.074  -2.974
   68   HG23  ILE   9          3HG2      ILE   9  -3.058  -8.627  -3.709
   69   HD11  ILE   9          3HD1      ILE   9  -5.037  -9.283   0.094
   70   HD12  ILE   9          1HD1      ILE   9  -5.449 -10.900  -0.475
   71   HD13  ILE   9          2HD1      ILE   9  -3.979 -10.644   0.464
   72    H    PHE  10           H        PHE  10   0.108 -10.433  -0.423
   73    HA   PHE  10           HA       PHE  10  -1.120 -11.456   1.870
   74    HB2  PHE  10           2HB      PHE  10   0.797 -12.529   0.748
   75    HB3  PHE  10           3HB      PHE  10   1.841 -11.221   1.294
   76    HD1  PHE  10           HD1      PHE  10   2.269 -10.935   3.733
   77    HD2  PHE  10           HD2      PHE  10   0.264 -14.341   2.153
   78    HE1  PHE  10           HE1      PHE  10   2.717 -12.162   5.818
   79    HE2  PHE  10           HE2      PHE  10   0.708 -15.572   4.236
   80    HZ   PHE  10           HZ       PHE  10   1.935 -14.483   6.072
   81    H    THR  11           H        THR  11   1.295  -8.868   1.548
   82    HA   THR  11           HA       THR  11   1.621  -8.258   4.237
   83    HB   THR  11           HB       THR  11   2.075  -5.867   3.351
   84    HG1  THR  11           HG1      THR  11   0.949  -6.036   1.391
   85   HG21  THR  11          3HG2      THR  11   3.673  -7.953   3.694
   86   HG22  THR  11          1HG2      THR  11   4.248  -6.465   2.942
   87   HG23  THR  11          2HG2      THR  11   3.794  -7.843   1.939
   88    H    ARG  12           H        ARG  12  -0.802  -7.077   1.941
   89    HA   ARG  12           HA       ARG  12  -2.003  -5.139   3.539
   90    HB2  ARG  12           2HB      ARG  12  -2.419  -6.003   1.028
   91    HB3  ARG  12           3HB      ARG  12  -3.779  -6.784   1.824
   92    HG2  ARG  12           2HG      ARG  12  -4.053  -4.321   2.827
   93    HG3  ARG  12           3HG      ARG  12  -3.275  -3.926   1.293
   94    HD2  ARG  12           2HD      ARG  12  -5.004  -5.296   0.139
   95    HD3  ARG  12           3HD      ARG  12  -5.814  -5.501   1.692
   96    HE   ARG  12           HE       ARG  12  -5.447  -2.764   1.236
   97   HH11  ARG  12          1HH1      ARG  12  -7.258  -5.452  -0.037
   98   HH12  ARG  12          2HH1      ARG  12  -8.575  -4.471  -0.590
   99   HH21  ARG  12          1HH2      ARG  12  -7.175  -1.462   0.513
  100   HH22  ARG  12          2HH2      ARG  12  -8.526  -2.202  -0.277
  101    H    SER  13           H        SER  13  -2.682  -8.611   3.293
  102    HA   SER  13           HA       SER  13  -4.899  -8.701   4.989
  103    HB2  SER  13           2HB      SER  13  -3.855 -10.550   3.486
  104    HB3  SER  13           3HB      SER  13  -2.882 -10.929   4.907
  105    HG   SER  13           HG       SER  13  -4.727 -12.170   4.990
  106    H    GLN  14           H        GLN  14  -1.444  -8.867   5.706
  107    HA   GLN  14           HA       GLN  14  -1.693  -9.470   8.451
  108    HB2  GLN  14           2HB      GLN  14   0.409  -9.805   7.312
  109    HB3  GLN  14           3HB      GLN  14   0.516  -8.094   6.918
  110    HG2  GLN  14           2HG      GLN  14   0.920  -7.501   9.165
  111    HG3  GLN  14           3HG      GLN  14   0.469  -9.104   9.744
  112   HE21  GLN  14          1HE2      GLN  14   2.250  -9.919  10.610
  113   HE22  GLN  14          2HE2      GLN  14   3.793 -10.012   9.839
  114    H    LYS  15           H        LYS  15  -1.539  -6.419   6.682
  115    HA   LYS  15           HA       LYS  15  -1.259  -4.652   8.803
  116    HB2  LYS  15           2HB      LYS  15  -1.172  -4.030   6.400
  117    HB3  LYS  15           3HB      LYS  15  -2.917  -4.231   6.309
  118    HG2  LYS  15           2HG      LYS  15  -3.049  -2.479   8.153
  119    HG3  LYS  15           3HG      LYS  15  -1.352  -2.150   7.797
  120    HD2  LYS  15           2HD      LYS  15  -1.952  -1.699   5.453
  121    HD3  LYS  15           3HD      LYS  15  -3.650  -1.984   5.845
  122    HE2  LYS  15           2HE      LYS  15  -3.227   0.387   5.823
  123    HE3  LYS  15           3HE      LYS  15  -3.540  -0.130   7.479
  124    HZ1  LYS  15           3HZ      LYS  15  -1.336   1.258   6.532
  125    HZ2  LYS  15           1HZ      LYS  15  -0.776  -0.287   6.931
  126    HZ3  LYS  15           2HZ      LYS  15  -1.575   0.648   8.091
  127    H    GLU  16           H        GLU  16  -4.168  -6.194   7.525
  128    HA   GLU  16           HA       GLU  16  -5.857  -4.824   9.450
  129    HB2  GLU  16           2HB      GLU  16  -6.912  -5.092   7.369
  130    HB3  GLU  16           3HB      GLU  16  -6.370  -6.756   7.207
  131    HG2  GLU  16           2HG      GLU  16  -8.755  -6.633   7.662
  132    HG3  GLU  16           3HG      GLU  16  -7.893  -7.449   8.964
  133    H    GLY  17           H        GLY  17  -4.234  -7.863   9.075
  134    HA2  GLY  17           2HA      GLY  17  -4.036  -8.788  11.517
  135    HA3  GLY  17           3HA      GLY  17  -5.756  -9.059  11.277
  136    H    LEU  18           H        LEU  18  -6.413 -10.861  10.250
  137    HA   LEU  18           HA       LEU  18  -4.318 -12.564   9.068
  138    HB2  LEU  18           2HB      LEU  18  -5.587 -13.228  11.258
  139    HB3  LEU  18           3HB      LEU  18  -6.873 -13.675  10.140
  140    HG   LEU  18           HG       LEU  18  -4.077 -14.779   9.959
  141   HD11  LEU  18          1HD1      LEU  18  -4.596 -16.516  11.342
  142   HD12  LEU  18          2HD1      LEU  18  -6.330 -16.375  11.056
  143   HD13  LEU  18          3HD1      LEU  18  -5.517 -15.230  12.122
  144   HD21  LEU  18          3HD2      LEU  18  -5.277 -16.563   8.686
  145   HD22  LEU  18          1HD2      LEU  18  -5.280 -14.981   7.906
  146   HD23  LEU  18          2HD2      LEU  18  -6.723 -15.554   8.743
  Start of MODEL    2
    1    H1   VAL   1           H        VAL   1  -1.355   0.218   0.634
    2    HA   VAL   1           HA       VAL   1  -0.819   1.067  -1.955
    3    HB   VAL   1           HB       VAL   1   1.259   0.381   0.127
    4   HG11  VAL   1          1HG1      VAL   1   2.476   2.280  -1.004
    5   HG12  VAL   1          2HG1      VAL   1   2.316   0.800  -1.954
    6   HG13  VAL   1          3HG1      VAL   1   1.269   2.181  -2.286
    7   HG21  VAL   1          3HG2      VAL   1   0.395   1.986   1.398
    8   HG22  VAL   1          1HG2      VAL   1   0.726   3.143   0.108
    9   HG23  VAL   1          2HG2      VAL   1  -0.838   2.333   0.186
   10    H    PHE   2           H        PHE   2   0.222  -1.890  -0.300
   11    HA   PHE   2           HA       PHE   2   1.867  -2.872  -2.361
   12    HB2  PHE   2           2HB      PHE   2   1.448  -3.653   0.157
   13    HB3  PHE   2           3HB      PHE   2   0.380  -4.799  -0.646
   14    HD1  PHE   2           HD1      PHE   2   3.851  -3.463  -0.911
   15    HD2  PHE   2           HD2      PHE   2   1.254  -6.810  -1.329
   16    HE1  PHE   2           HE1      PHE   2   5.785  -4.895  -1.425
   17    HE2  PHE   2           HE2      PHE   2   3.184  -8.247  -1.842
   18    HZ   PHE   2           HZ       PHE   2   5.453  -7.291  -1.890
   19    H    ALA   3           H        ALA   3  -1.576  -3.272  -1.692
   20    HA   ALA   3           HA       ALA   3  -2.196  -5.250  -3.538
   21    HB1  ALA   3           1HB      ALA   3  -4.038  -4.847  -2.308
   22    HB2  ALA   3           2HB      ALA   3  -3.684  -3.127  -2.146
   23    HB3  ALA   3           3HB      ALA   3  -4.431  -3.738  -3.622
   24    H    SER   4           H        SER   4  -1.973  -1.742  -3.996
   25    HA   SER   4           HA       SER   4  -2.871  -1.658  -6.651
   26    HB2  SER   4           2HB      SER   4  -1.199   0.146  -4.942
   27    HB3  SER   4           3HB      SER   4  -1.319   0.472  -6.671
   28    HG   SER   4           HG       SER   4  -3.082   1.466  -6.073
   29    H    LEU   5           H        LEU   5   0.391  -2.022  -5.312
   30    HA   LEU   5           HA       LEU   5   1.878  -1.907  -7.638
   31    HB2  LEU   5           2HB      LEU   5   2.217  -3.359  -5.052
   32    HB3  LEU   5           3HB      LEU   5   3.347  -3.661  -6.370
   33    HG   LEU   5           HG       LEU   5   2.820  -0.954  -5.146
   34   HD11  LEU   5          1HD1      LEU   5   4.707  -3.130  -4.462
   35   HD12  LEU   5          2HD1      LEU   5   3.962  -1.906  -3.434
   36   HD13  LEU   5          3HD1      LEU   5   5.334  -1.481  -4.457
   37   HD21  LEU   5          3HD2      LEU   5   4.911  -1.911  -7.099
   38   HD22  LEU   5          1HD2      LEU   5   4.841  -0.305  -6.374
   39   HD23  LEU   5          2HD2      LEU   5   3.557  -0.839  -7.460
   40    HA   PRO   6           HA       PRO   6   0.998  -5.483 -10.024
   41    HB2  PRO   6           2HB      PRO   6   3.454  -6.170 -10.955
   42    HB3  PRO   6           3HB      PRO   6   2.574  -4.748 -11.525
   43    HG2  PRO   6           2HG      PRO   6   4.775  -4.929  -9.504
   44    HG3  PRO   6           3HG      PRO   6   4.543  -3.743 -10.802
   45    HD2  PRO   6           2HD      PRO   6   3.904  -3.223  -8.223
   46    HD3  PRO   6           3HD      PRO   6   3.008  -2.526  -9.588
   47    H    GLY   7           H        GLY   7   3.168  -5.704  -7.351
   48    HA2  GLY   7           2HA      GLY   7   3.771  -8.465  -7.458
   49    HA3  GLY   7           3HA      GLY   7   3.836  -7.454  -6.022
   50    H    ILE   8           H        ILE   8   3.005  -9.158  -4.754
   51    HA   ILE   8           HA       ILE   8   0.312 -10.102  -5.345
   52    HB   ILE   8           HB       ILE   8   0.607 -11.597  -3.427
   53   HG12  ILE   8          2HG1      ILE   8   3.324 -10.288  -3.171
   54   HG13  ILE   8          3HG1      ILE   8   1.991 -10.120  -2.034
   55   HG21  ILE   8          1HG2      ILE   8   1.813 -11.783  -5.862
   56   HG22  ILE   8          2HG2      ILE   8   3.171 -12.043  -4.769
   57   HG23  ILE   8          3HG2      ILE   8   1.747 -13.078  -4.667
   58   HD11  ILE   8          3HD1      ILE   8   3.151 -11.728  -0.960
   59   HD12  ILE   8          1HD1      ILE   8   2.207 -12.772  -2.023
   60   HD13  ILE   8          2HD1      ILE   8   3.870 -12.358  -2.442
   61    H    ILE   9           H        ILE   9  -0.921 -10.445  -3.043
   62    HA   ILE   9           HA       ILE   9  -1.041  -7.773  -1.805
   63    HB   ILE   9           HB       ILE   9  -3.459  -8.095  -1.502
   64   HG12  ILE   9          2HG1      ILE   9  -4.242 -10.016  -3.277
   65   HG13  ILE   9          3HG1      ILE   9  -2.793 -10.750  -2.597
   66   HG21  ILE   9          1HG2      ILE   9  -3.437  -8.495  -4.356
   67   HG22  ILE   9          2HG2      ILE   9  -3.764  -7.031  -3.429
   68   HG23  ILE   9          3HG2      ILE   9  -2.105  -7.454  -3.853
   69   HD11  ILE   9          3HD1      ILE   9  -4.903  -9.612  -0.813
   70   HD12  ILE   9          1HD1      ILE   9  -5.071 -11.226  -1.504
   71   HD13  ILE   9          2HD1      ILE   9  -3.693 -10.849  -0.469
   72    H    PHE  10           H        PHE  10   0.338 -10.328  -1.020
   73    HA   PHE  10           HA       PHE  10  -0.970 -11.562   1.120
   74    HB2  PHE  10           2HB      PHE  10   1.185 -12.284  -0.043
   75    HB3  PHE  10           3HB      PHE  10   2.011 -11.120   0.987
   76    HD1  PHE  10           HD2      PHE  10  -0.365 -13.981   1.228
   77    HD2  PHE  10           HD1      PHE  10   2.852 -11.833   3.002
   78    HE1  PHE  10           HE2      PHE  10  -0.230 -15.667   3.016
   79    HE2  PHE  10           HE1      PHE  10   2.993 -13.516   4.792
   80    HZ   PHE  10           HZ       PHE  10   1.450 -15.435   4.801
   81    H    THR  11           H        THR  11   1.299  -8.825   1.114
   82    HA   THR  11           HA       THR  11   1.402  -8.364   3.852
   83    HB   THR  11           HB       THR  11   2.138  -6.122   3.355
   84    HG1  THR  11           HG1      THR  11   1.167  -5.122   1.771
   85   HG21  THR  11          3HG2      THR  11   3.247  -7.434   0.962
   86   HG22  THR  11          1HG2      THR  11   3.379  -8.356   2.458
   87   HG23  THR  11          2HG2      THR  11   4.070  -6.736   2.356
   88    H    ARG  12           H        ARG  12  -0.942  -7.237   1.459
   89    HA   ARG  12           HA       ARG  12  -2.357  -5.469   3.121
   90    HB2  ARG  12           2HB      ARG  12  -3.319  -7.082   0.752
   91    HB3  ARG  12           3HB      ARG  12  -4.212  -5.761   1.493
   92    HG2  ARG  12           2HG      ARG  12  -1.490  -5.501   0.232
   93    HG3  ARG  12           3HG      ARG  12  -3.017  -5.100  -0.557
   94    HD2  ARG  12           2HD      ARG  12  -2.430  -3.036   0.225
   95    HD3  ARG  12           3HD      ARG  12  -3.349  -3.629   1.607
   96    HE   ARG  12           HE       ARG  12  -0.664  -4.345   1.949
   97   HH11  ARG  12          1HH1      ARG  12  -2.673  -1.502   1.880
   98   HH12  ARG  12          2HH1      ARG  12  -1.656  -0.599   2.954
   99   HH21  ARG  12          1HH2      ARG  12   0.682  -3.166   3.364
  100   HH22  ARG  12          2HH2      ARG  12   0.252  -1.546   3.797
  101    H    SER  13           H        SER  13  -2.806  -8.921   2.456
  102    HA   SER  13           HA       SER  13  -5.165  -9.252   3.954
  103    HB2  SER  13           2HB      SER  13  -4.175 -10.875   2.267
  104    HB3  SER  13           3HB      SER  13  -3.057 -11.375   3.536
  105    HG   SER  13           HG       SER  13  -5.793 -11.820   3.289
  106    H    GLN  14           H        GLN  14  -1.751  -9.551   4.827
  107    HA   GLN  14           HA       GLN  14  -2.077 -10.574   7.406
  108    HB2  GLN  14           2HB      GLN  14   0.083 -10.395   6.149
  109    HB3  GLN  14           3HB      GLN  14   0.087  -8.671   6.499
  110    HG2  GLN  14           2HG      GLN  14   1.507  -9.694   8.079
  111    HG3  GLN  14           3HG      GLN  14   0.027  -9.261   8.933
  112   HE21  GLN  14          1HE2      GLN  14  -0.470 -10.741  10.369
  113   HE22  GLN  14          2HE2      GLN  14  -0.332 -12.451  10.166
  114    H    LYS  15           H        LYS  15  -2.093  -7.248   6.224
  115    HA   LYS  15           HA       LYS  15  -2.072  -5.895   8.653
  116    HB2  LYS  15           2HB      LYS  15  -3.159  -5.277   5.937
  117    HB3  LYS  15           3HB      LYS  15  -3.557  -4.207   7.275
  118    HG2  LYS  15           2HG      LYS  15  -0.958  -4.270   7.667
  119    HG3  LYS  15           3HG      LYS  15  -0.941  -4.710   5.958
  120    HD2  LYS  15           2HD      LYS  15  -2.024  -2.697   5.335
  121    HD3  LYS  15           3HD      LYS  15  -2.438  -2.319   7.009
  122    HE2  LYS  15           2HE      LYS  15   0.393  -2.512   5.998
  123    HE3  LYS  15           3HE      LYS  15  -0.522  -1.005   6.041
  124    HZ1  LYS  15           3HZ      LYS  15   0.375  -0.829   8.072
  125    HZ2  LYS  15           1HZ      LYS  15   0.703  -2.484   8.204
  126    HZ3  LYS  15           2HZ      LYS  15  -0.848  -1.900   8.540
  127    H    GLU  16           H        GLU  16  -4.860  -7.073   6.783
  128    HA   GLU  16           HA       GLU  16  -6.643  -6.423   8.996
  129    HB2  GLU  16           2HB      GLU  16  -7.588  -5.827   6.931
  130    HB3  GLU  16           3HB      GLU  16  -7.068  -7.318   6.160
  131    HG2  GLU  16           2HG      GLU  16  -9.473  -7.289   6.522
  132    HG3  GLU  16           3HG      GLU  16  -8.698  -8.578   7.441
  133    H    GLY  17           H        GLY  17  -6.709  -7.856  10.603
  134    HA2  GLY  17           2HA      GLY  17  -7.634  -9.948  11.367
  135    HA3  GLY  17           3HA      GLY  17  -7.043 -10.696   9.891
  136    H    LEU  18           H        LEU  18  -6.429 -12.084  11.995
  137    HA   LEU  18           HA       LEU  18  -3.726 -11.283  12.832
  138    HB2  LEU  18           2HB      LEU  18  -5.825 -13.018  14.069
  139    HB3  LEU  18           3HB      LEU  18  -4.131 -13.222  14.510
  140    HG   LEU  18           HG       LEU  18  -4.219 -10.686  15.043
  141   HD11  LEU  18          1HD1      LEU  18  -6.351 -10.162  14.089
  142   HD12  LEU  18          2HD1      LEU  18  -6.469  -9.986  15.839
  143   HD13  LEU  18          3HD1      LEU  18  -7.143 -11.411  15.049
  144   HD21  LEU  18          3HD2      LEU  18  -5.802 -11.838  17.131
  145   HD22  LEU  18          1HD2      LEU  18  -4.080 -11.460  17.117
  146   HD23  LEU  18          2HD2      LEU  18  -4.642 -13.029  16.540
  Start of MODEL    3
    1    H1   VAL   1           H        VAL   1   0.851   0.389   0.158
    2    HA   VAL   1           HA       VAL   1   0.568   0.868  -2.583
    3    HB   VAL   1           HB       VAL   1   3.026  -0.220  -1.207
    4   HG11  VAL   1          1HG1      VAL   1   2.468   0.917  -3.883
    5   HG12  VAL   1          2HG1      VAL   1   3.973   1.403  -3.100
    6   HG13  VAL   1          3HG1      VAL   1   3.640  -0.305  -3.391
    7   HG21  VAL   1          3HG2      VAL   1   2.568   1.670   0.044
    8   HG22  VAL   1          1HG2      VAL   1   3.596   2.318  -1.234
    9   HG23  VAL   1          2HG2      VAL   1   1.847   2.525  -1.319
   10    H    PHE   2           H        PHE   2   1.456  -2.106  -0.857
   11    HA   PHE   2           HA       PHE   2   1.921  -3.717  -3.092
   12    HB2  PHE   2           2HB      PHE   2   1.343  -4.165  -0.228
   13    HB3  PHE   2           3HB      PHE   2   0.973  -5.515  -1.296
   14    HD1  PHE   2           HD1      PHE   2   3.728  -3.009  -0.997
   15    HD2  PHE   2           HD2      PHE   2   2.615  -7.101  -1.373
   16    HE1  PHE   2           HE1      PHE   2   6.103  -3.651  -1.000
   17    HE2  PHE   2           HE2      PHE   2   4.988  -7.749  -1.376
   18    HZ   PHE   2           HZ       PHE   2   6.736  -6.024  -1.188
   19    H    ALA   3           H        ALA   3  -1.064  -2.991  -1.353
   20    HA   ALA   3           HA       ALA   3  -2.770  -4.830  -2.540
   21    HB1  ALA   3           1HB      ALA   3  -3.122  -2.974  -0.676
   22    HB2  ALA   3           2HB      ALA   3  -3.820  -2.101  -2.041
   23    HB3  ALA   3           3HB      ALA   3  -4.472  -3.671  -1.573
   24    H    SER   4           H        SER   4  -2.012  -1.517  -3.604
   25    HA   SER   4           HA       SER   4  -3.622  -1.588  -5.920
   26    HB2  SER   4           2HB      SER   4  -1.325   0.130  -5.026
   27    HB3  SER   4           3HB      SER   4  -1.989   0.305  -6.650
   28    HG   SER   4           HG       SER   4  -4.096   0.433  -5.419
   29    H    LEU   5           H        LEU   5  -0.224  -2.368  -5.354
   30    HA   LEU   5           HA       LEU   5   0.398  -2.830  -8.097
   31    HB2  LEU   5           2HB      LEU   5   1.738  -3.249  -5.488
   32    HB3  LEU   5           3HB      LEU   5   2.307  -4.214  -6.848
   33    HG   LEU   5           HG       LEU   5   2.461  -1.884  -8.041
   34   HD11  LEU   5          1HD1      LEU   5   2.666  -1.121  -5.132
   35   HD12  LEU   5          2HD1      LEU   5   1.402  -0.614  -6.252
   36   HD13  LEU   5          3HD1      LEU   5   3.066  -0.087  -6.504
   37   HD21  LEU   5          3HD2      LEU   5   4.277  -3.429  -6.379
   38   HD22  LEU   5          1HD2      LEU   5   4.734  -1.729  -6.489
   39   HD23  LEU   5          2HD2      LEU   5   4.540  -2.687  -7.958
   40    HA   PRO   6           HA       PRO   6  -0.966  -6.949  -8.753
   41    HB2  PRO   6           2HB      PRO   6   1.077  -8.024 -10.181
   42    HB3  PRO   6           3HB      PRO   6  -0.035  -6.824 -10.850
   43    HG2  PRO   6           2HG      PRO   6   2.722  -6.444  -9.747
   44    HG3  PRO   6           3HG      PRO   6   1.991  -5.738 -11.201
   45    HD2  PRO   6           2HD      PRO   6   2.219  -4.372  -8.874
   46    HD3  PRO   6           3HD      PRO   6   0.874  -4.116 -10.004
   47    H    GLY   7           H        GLY   7   1.980  -6.390  -7.048
   48    HA2  GLY   7           2HA      GLY   7   2.897  -8.933  -6.474
   49    HA3  GLY   7           3HA      GLY   7   3.007  -7.572  -5.367
   50    H    ILE   8           H        ILE   8   2.780  -9.966  -4.233
   51    HA   ILE   8           HA       ILE   8   0.162 -10.933  -3.835
   52    HB   ILE   8           HB       ILE   8   1.049 -12.114  -1.894
   53   HG12  ILE   8          2HG1      ILE   8   3.546 -10.465  -2.348
   54   HG13  ILE   8          3HG1      ILE   8   2.445 -10.310  -0.984
   55   HG21  ILE   8          1HG2      ILE   8   1.706 -12.559  -4.454
   56   HG22  ILE   8          2HG2      ILE   8   3.317 -12.354  -3.770
   57   HG23  ILE   8          3HG2      ILE   8   2.238 -13.592  -3.127
   58   HD11  ILE   8          3HD1      ILE   8   4.468 -12.399  -1.566
   59   HD12  ILE   8          1HD1      ILE   8   4.080 -11.585  -0.050
   60   HD13  ILE   8          2HD1      ILE   8   3.022 -12.855  -0.667
   61    H    ILE   9           H        ILE   9  -0.528 -11.058  -1.311
   62    HA   ILE   9           HA       ILE   9  -0.706  -8.265  -0.384
   63    HB   ILE   9           HB       ILE   9  -2.954  -9.148   0.640
   64   HG12  ILE   9          2HG1      ILE   9  -4.080 -10.766  -0.839
   65   HG13  ILE   9          3HG1      ILE   9  -2.594 -10.950  -1.765
   66   HG21  ILE   9          1HG2      ILE   9  -3.531  -8.766  -2.148
   67   HG22  ILE   9          2HG2      ILE   9  -3.795  -7.673  -0.790
   68   HG23  ILE   9          3HG2      ILE   9  -2.246  -7.675  -1.632
   69   HD11  ILE   9          3HD1      ILE   9  -2.951 -12.795  -0.208
   70   HD12  ILE   9          1HD1      ILE   9  -1.482 -11.894   0.169
   71   HD13  ILE   9          2HD1      ILE   9  -2.936 -11.657   1.139
   72    H    PHE  10           H        PHE  10   1.052 -10.624   0.356
   73    HA   PHE  10           HA       PHE  10   0.383 -11.678   2.834
   74    HB2  PHE  10           2HB      PHE  10   2.377 -12.244   1.319
   75    HB3  PHE  10           3HB      PHE  10   3.199 -10.898   2.101
   76    HD1  PHE  10           HD1      PHE  10   1.766 -14.242   2.597
   77    HD2  PHE  10           HD2      PHE  10   4.003 -11.068   4.342
   78    HE1  PHE  10           HE1      PHE  10   2.430 -15.729   4.442
   79    HE2  PHE  10           HE2      PHE  10   4.671 -12.550   6.189
   80    HZ   PHE  10           HZ       PHE  10   3.885 -14.884   6.240
   81    H    THR  11           H        THR  11   2.055  -8.651   2.064
   82    HA   THR  11           HA       THR  11   2.700  -7.838   4.643
   83    HB   THR  11           HB       THR  11   3.583  -6.635   2.754
   84    HG1  THR  11           HG1      THR  11   3.548  -4.803   3.828
   85   HG21  THR  11          3HG2      THR  11   2.236  -5.279   1.286
   86   HG22  THR  11          1HG2      THR  11   0.781  -5.653   2.208
   87   HG23  THR  11          2HG2      THR  11   1.592  -6.920   1.287
   88    H    ARG  12           H        ARG  12  -0.307  -7.442   2.829
   89    HA   ARG  12           HA       ARG  12  -1.606  -5.758   4.683
   90    HB2  ARG  12           2HB      ARG  12  -2.660  -7.650   2.583
   91    HB3  ARG  12           3HB      ARG  12  -3.709  -6.627   3.555
   92    HG2  ARG  12           2HG      ARG  12  -2.336  -4.668   2.707
   93    HG3  ARG  12           3HG      ARG  12  -1.653  -5.797   1.535
   94    HD2  ARG  12           2HD      ARG  12  -3.398  -4.975   0.312
   95    HD3  ARG  12           3HD      ARG  12  -4.196  -6.339   1.095
   96    HE   ARG  12           HE       ARG  12  -4.483  -4.077   2.722
   97   HH11  ARG  12          1HH1      ARG  12  -5.549  -5.296  -0.360
   98   HH12  ARG  12          2HH1      ARG  12  -7.045  -4.423  -0.335
   99   HH21  ARG  12          1HH2      ARG  12  -6.450  -2.922   2.767
  100   HH22  ARG  12          2HH2      ARG  12  -7.556  -3.073   1.444
  101    H    SER  13           H        SER  13  -1.492  -9.274   4.328
  102    HA   SER  13           HA       SER  13  -3.419  -9.992   6.191
  103    HB2  SER  13           2HB      SER  13  -1.876 -11.423   4.581
  104    HB3  SER  13           3HB      SER  13  -0.899 -11.593   6.039
  105    HG   SER  13           HG       SER  13  -2.440 -13.263   5.870
  106    H    GLN  14           H        GLN  14   0.062  -9.466   6.708
  107    HA   GLN  14           HA       GLN  14   0.067  -9.976   9.467
  108    HB2  GLN  14           2HB      GLN  14   2.036  -9.669   7.782
  109    HB3  GLN  14           3HB      GLN  14   1.921  -7.972   8.228
  110    HG2  GLN  14           2HG      GLN  14   2.400  -8.459  10.508
  111    HG3  GLN  14           3HG      GLN  14   2.272 -10.194  10.221
  112   HE21  GLN  14          1HE2      GLN  14   3.786 -10.922   8.358
  113   HE22  GLN  14          2HE2      GLN  14   5.413 -10.354   8.479
  114    H    LYS  15           H        LYS  15  -0.449  -6.996   7.641
  115    HA   LYS  15           HA       LYS  15  -0.454  -5.188   9.768
  116    HB2  LYS  15           2HB      LYS  15  -0.645  -4.871   7.144
  117    HB3  LYS  15           3HB      LYS  15  -2.365  -4.805   7.507
  118    HG2  LYS  15           2HG      LYS  15  -0.423  -3.088   9.000
  119    HG3  LYS  15           3HG      LYS  15  -1.023  -2.612   7.410
  120    HD2  LYS  15           2HD      LYS  15  -3.330  -2.793   8.249
  121    HD3  LYS  15           3HD      LYS  15  -2.703  -3.216   9.844
  122    HE2  LYS  15           2HE      LYS  15  -1.875  -1.086  10.223
  123    HE3  LYS  15           3HE      LYS  15  -1.812  -0.695   8.505
  124    HZ1  LYS  15           3HZ      LYS  15  -4.195  -0.538   8.455
  125    HZ2  LYS  15           1HZ      LYS  15  -3.609   0.460   9.689
  126    HZ3  LYS  15           2HZ      LYS  15  -4.315  -1.029  10.069
  127    H    GLU  16           H        GLU  16  -3.180  -6.938   8.291
  128    HA   GLU  16           HA       GLU  16  -4.650  -6.588  10.813
  129    HB2  GLU  16           2HB      GLU  16  -5.615  -6.064   8.015
  130    HB3  GLU  16           3HB      GLU  16  -6.743  -6.490   9.295
  131    HG2  GLU  16           2HG      GLU  16  -6.220  -4.547  10.533
  132    HG3  GLU  16           3HG      GLU  16  -4.819  -4.196   9.523
  133    H    GLY  17           H        GLY  17  -5.332  -8.181   7.698
  134    HA2  GLY  17           2HA      GLY  17  -5.091 -10.570   7.406
  135    HA3  GLY  17           3HA      GLY  17  -5.384 -10.759   9.129
  136    H    LEU  18           H        LEU  18  -6.739 -12.062   6.916
  137    HA   LEU  18           HA       LEU  18  -9.468 -11.054   7.388
  138    HB2  LEU  18           2HB      LEU  18  -8.136 -12.031   4.915
  139    HB3  LEU  18           3HB      LEU  18  -9.847 -12.388   5.136
  140    HG   LEU  18           HG       LEU  18  -9.437 -10.382   3.756
  141   HD11  LEU  18          1HD1      LEU  18 -11.112 -10.566   6.104
  142   HD12  LEU  18          2HD1      LEU  18 -11.480  -9.930   4.501
  143   HD13  LEU  18          3HD1      LEU  18 -10.726  -8.891   5.710
  144   HD21  LEU  18          3HD2      LEU  18  -8.429  -8.444   4.583
  145   HD22  LEU  18          1HD2      LEU  18  -7.371  -9.744   5.133
  146   HD23  LEU  18          2HD2      LEU  18  -8.511  -9.001   6.255
  Start of MODEL    4
    1    H1   VAL   1           H        VAL   1  -0.507   0.455  -0.437
    2    HA   VAL   1           HA       VAL   1   0.224   0.865  -3.112
    3    HB   VAL   1           HB       VAL   1   2.067   0.109  -0.841
    4   HG11  VAL   1          1HG1      VAL   1   3.554   0.112  -2.523
    5   HG12  VAL   1          2HG1      VAL   1   2.469   0.977  -3.614
    6   HG13  VAL   1          3HG1      VAL   1   3.414   1.866  -2.419
    7   HG21  VAL   1          3HG2      VAL   1   2.290   2.780  -1.010
    8   HG22  VAL   1          1HG2      VAL   1   0.594   2.594  -1.457
    9   HG23  VAL   1          2HG2      VAL   1   1.173   1.970   0.088
   10    H    PHE   2           H        PHE   2   0.744  -1.937  -0.986
   11    HA   PHE   2           HA       PHE   2   2.162  -3.519  -2.802
   12    HB2  PHE   2           2HB      PHE   2   0.690  -3.959  -0.287
   13    HB3  PHE   2           3HB      PHE   2   0.817  -5.375  -1.325
   14    HD1  PHE   2           HD1      PHE   2   2.853  -2.714   0.275
   15    HD2  PHE   2           HD2      PHE   2   2.754  -6.655  -1.330
   16    HE1  PHE   2           HE1      PHE   2   5.139  -3.103   1.099
   17    HE2  PHE   2           HE2      PHE   2   5.038  -7.051  -0.508
   18    HZ   PHE   2           HZ       PHE   2   6.234  -5.275   0.709
   19    H    ALA   3           H        ALA   3  -1.316  -3.218  -2.233
   20    HA   ALA   3           HA       ALA   3  -2.181  -5.275  -3.922
   21    HB1  ALA   3           1HB      ALA   3  -3.906  -2.904  -3.847
   22    HB2  ALA   3           2HB      ALA   3  -4.248  -4.575  -3.398
   23    HB3  ALA   3           3HB      ALA   3  -3.414  -3.511  -2.266
   24    H    SER   4           H        SER   4  -1.762  -1.804  -4.600
   25    HA   SER   4           HA       SER   4  -2.504  -1.955  -7.318
   26    HB2  SER   4           2HB      SER   4  -2.497   0.169  -6.116
   27    HB3  SER   4           3HB      SER   4  -0.750   0.063  -5.895
   28    HG   SER   4           HG       SER   4  -0.585   0.991  -7.760
   29    H    LEU   5           H        LEU   5   0.612  -2.203  -5.679
   30    HA   LEU   5           HA       LEU   5   2.280  -2.164  -7.916
   31    HB2  LEU   5           2HB      LEU   5   2.493  -3.334  -5.178
   32    HB3  LEU   5           3HB      LEU   5   3.729  -3.707  -6.379
   33    HG   LEU   5           HG       LEU   5   2.995  -0.923  -5.476
   34   HD11  LEU   5          1HD1      LEU   5   5.057  -0.950  -4.215
   35   HD12  LEU   5          2HD1      LEU   5   5.381  -2.607  -4.726
   36   HD13  LEU   5          3HD1      LEU   5   4.008  -2.261  -3.674
   37   HD21  LEU   5          3HD2      LEU   5   5.263  -1.960  -7.174
   38   HD22  LEU   5          1HD2      LEU   5   5.070  -0.296  -6.623
   39   HD23  LEU   5          2HD2      LEU   5   3.894  -0.998  -7.734
   40    HA   PRO   6           HA       PRO   6   1.735  -5.998  -9.979
   41    HB2  PRO   6           2HB      PRO   6   4.280  -6.647 -10.667
   42    HB3  PRO   6           3HB      PRO   6   3.381  -5.334 -11.438
   43    HG2  PRO   6           2HG      PRO   6   5.436  -5.202  -9.264
   44    HG3  PRO   6           3HG      PRO   6   5.246  -4.164 -10.689
   45    HD2  PRO   6           2HD      PRO   6   4.400  -3.425  -8.226
   46    HD3  PRO   6           3HD      PRO   6   3.575  -2.914  -9.712
   47    H    GLY   7           H        GLY   7   3.442  -5.828  -7.054
   48    HA2  GLY   7           2HA      GLY   7   4.388  -8.479  -6.810
   49    HA3  GLY   7           3HA      GLY   7   4.035  -7.389  -5.478
   50    H    ILE   8           H        ILE   8   2.382  -7.883  -4.189
   51    HA   ILE   8           HA       ILE   8   0.064  -9.290  -5.175
   52    HB   ILE   8           HB       ILE   8   0.393 -11.002  -3.204
   53   HG12  ILE   8          2HG1      ILE   8   2.735 -11.704  -2.965
   54   HG13  ILE   8          3HG1      ILE   8   3.244 -10.380  -4.007
   55   HG21  ILE   8          1HG2      ILE   8   0.284 -11.291  -5.791
   56   HG22  ILE   8          2HG2      ILE   8   2.017 -11.580  -5.641
   57   HG23  ILE   8          3HG2      ILE   8   0.873 -12.612  -4.783
   58   HD11  ILE   8          3HD1      ILE   8   1.901 -10.082  -1.332
   59   HD12  ILE   8          1HD1      ILE   8   3.624  -9.890  -1.651
   60   HD13  ILE   8          2HD1      ILE   8   2.464  -8.771  -2.367
   61    H    ILE   9           H        ILE   9  -1.376  -9.885  -3.159
   62    HA   ILE   9           HA       ILE   9  -1.364  -7.513  -1.418
   63    HB   ILE   9           HB       ILE   9  -3.759  -7.864  -1.114
   64   HG12  ILE   9          2HG1      ILE   9  -4.621  -9.603  -3.022
   65   HG13  ILE   9          3HG1      ILE   9  -3.137 -10.395  -2.502
   66   HG21  ILE   9          1HG2      ILE   9  -4.087  -7.896  -3.886
   67   HG22  ILE   9          2HG2      ILE   9  -3.884  -6.484  -2.850
   68   HG23  ILE   9          3HG2      ILE   9  -2.478  -7.227  -3.613
   69   HD11  ILE   9          3HD1      ILE   9  -3.999 -10.984  -0.523
   70   HD12  ILE   9          1HD1      ILE   9  -4.869  -9.462  -0.329
   71   HD13  ILE   9          2HD1      ILE   9  -5.544 -10.741  -1.339
   72    H    PHE  10           H        PHE  10  -0.029 -10.255  -1.121
   73    HA   PHE  10           HA       PHE  10  -1.255 -11.719   0.910
   74    HB2  PHE  10           2HB      PHE  10   0.965 -12.094  -0.523
   75    HB3  PHE  10           3HB      PHE  10   1.712 -11.469   0.943
   76    HD1  PHE  10           HD1      PHE  10  -0.999 -13.887   0.073
   77    HD2  PHE  10           HD2      PHE  10   2.466 -13.058   2.402
   78    HE1  PHE  10           HE1      PHE  10  -1.158 -16.118   1.098
   79    HE2  PHE  10           HE2      PHE  10   2.313 -15.288   3.430
   80    HZ   PHE  10           HZ       PHE  10   0.499 -16.822   2.778
   81    H    THR  11           H        THR  11   1.120  -9.085   1.151
   82    HA   THR  11           HA       THR  11   1.312  -9.038   3.946
   83    HB   THR  11           HB       THR  11   2.231  -6.797   3.721
   84    HG1  THR  11           HG1      THR  11   0.932  -5.815   2.227
   85   HG21  THR  11          3HG2      THR  11   4.129  -7.364   2.527
   86   HG22  THR  11          1HG2      THR  11   3.218  -8.204   1.273
   87   HG23  THR  11          2HG2      THR  11   3.435  -8.951   2.857
   88    H    ARG  12           H        ARG  12  -0.857  -7.313   1.739
   89    HA   ARG  12           HA       ARG  12  -2.096  -5.630   3.576
   90    HB2  ARG  12           2HB      ARG  12  -3.119  -6.921   1.051
   91    HB3  ARG  12           3HB      ARG  12  -4.073  -5.769   1.976
   92    HG2  ARG  12           2HG      ARG  12  -1.848  -4.332   1.718
   93    HG3  ARG  12           3HG      ARG  12  -1.693  -5.337   0.276
   94    HD2  ARG  12           2HD      ARG  12  -2.856  -3.336  -0.331
   95    HD3  ARG  12           3HD      ARG  12  -4.009  -4.669  -0.353
   96    HE   ARG  12           HE       ARG  12  -5.184  -3.604   1.283
   97   HH11  ARG  12          1HH1      ARG  12  -1.932  -2.362   1.263
   98   HH12  ARG  12          2HH1      ARG  12  -2.252  -1.140   2.449
   99   HH21  ARG  12          1HH2      ARG  12  -5.618  -1.999   2.845
  100   HH22  ARG  12          2HH2      ARG  12  -4.349  -0.935   3.349
  101    H    SER  13           H        SER  13  -2.808  -8.985   2.727
  102    HA   SER  13           HA       SER  13  -5.191  -9.235   4.201
  103    HB2  SER  13           2HB      SER  13  -4.561 -10.878   2.513
  104    HB3  SER  13           3HB      SER  13  -3.145 -11.340   3.456
  105    HG   SER  13           HG       SER  13  -4.577 -12.052   5.097
  106    H    GLN  14           H        GLN  14  -1.809  -9.779   5.076
  107    HA   GLN  14           HA       GLN  14  -2.251 -10.870   7.624
  108    HB2  GLN  14           2HB      GLN  14   0.057  -9.415   6.369
  109    HB3  GLN  14           3HB      GLN  14   0.106  -9.881   8.064
  110    HG2  GLN  14           2HG      GLN  14  -0.553 -11.914   5.983
  111    HG3  GLN  14           3HG      GLN  14   1.122 -11.437   6.255
  112   HE21  GLN  14          1HE2      GLN  14   0.064 -14.023   6.671
  113   HE22  GLN  14          2HE2      GLN  14   0.202 -14.388   8.354
  114    H    LYS  15           H        LYS  15  -1.879  -7.526   6.541
  115    HA   LYS  15           HA       LYS  15  -1.780  -6.281   9.037
  116    HB2  LYS  15           2HB      LYS  15  -1.508  -5.334   6.606
  117    HB3  LYS  15           3HB      LYS  15  -3.231  -5.008   6.747
  118    HG2  LYS  15           2HG      LYS  15  -1.441  -4.101   8.938
  119    HG3  LYS  15           3HG      LYS  15  -1.431  -3.212   7.413
  120    HD2  LYS  15           2HD      LYS  15  -4.019  -3.253   7.681
  121    HD3  LYS  15           3HD      LYS  15  -3.658  -3.588   9.376
  122    HE2  LYS  15           2HE      LYS  15  -2.408  -1.285   7.909
  123    HE3  LYS  15           3HE      LYS  15  -3.983  -1.145   8.687
  124    HZ1  LYS  15           3HZ      LYS  15  -1.523  -0.822   9.872
  125    HZ2  LYS  15           1HZ      LYS  15  -2.078  -2.316  10.439
  126    HZ3  LYS  15           2HZ      LYS  15  -3.018  -0.927  10.656
  127    H    GLU  16           H        GLU  16  -4.582  -7.077   7.003
  128    HA   GLU  16           HA       GLU  16  -6.592  -5.936   8.514
  129    HB2  GLU  16           2HB      GLU  16  -6.611  -7.319   6.255
  130    HB3  GLU  16           3HB      GLU  16  -7.065  -8.634   7.330
  131    HG2  GLU  16           2HG      GLU  16  -8.874  -7.037   8.195
  132    HG3  GLU  16           3HG      GLU  16  -8.540  -6.098   6.742
  133    H    GLY  17           H        GLY  17  -5.418  -9.301   8.746
  134    HA2  GLY  17           2HA      GLY  17  -6.954  -9.883  11.072
  135    HA3  GLY  17           3HA      GLY  17  -5.636 -10.853  10.431
  136    H    LEU  18           H        LEU  18  -4.443 -11.271  12.202
  137    HA   LEU  18           HA       LEU  18  -3.711  -9.037  13.957
  138    HB2  LEU  18           2HB      LEU  18  -3.515 -12.020  14.318
  139    HB3  LEU  18           3HB      LEU  18  -2.870 -10.848  15.465
  140    HG   LEU  18           HG       LEU  18  -5.784 -11.052  14.715
  141   HD11  LEU  18          1HD1      LEU  18  -5.569 -11.858  17.317
  142   HD12  LEU  18          2HD1      LEU  18  -4.157 -12.610  16.574
  143   HD13  LEU  18          3HD1      LEU  18  -5.767 -12.928  15.928
  144   HD21  LEU  18          3HD2      LEU  18  -5.378  -8.890  15.522
  145   HD22  LEU  18          1HD2      LEU  18  -4.235  -9.463  16.737
  146   HD23  LEU  18          2HD2      LEU  18  -5.958  -9.786  16.927
  Start of MODEL    5
    1    H1   VAL   1           H        VAL   1   0.583  -0.032   0.823
    2    HA   VAL   1           HA       VAL   1   0.698   1.117  -1.720
    3    HB   VAL   1           HB       VAL   1   2.982   0.011  -0.081
    4   HG11  VAL   1          1HG1      VAL   1   4.186   1.905  -1.405
    5   HG12  VAL   1          2HG1      VAL   1   3.933   0.330  -2.160
    6   HG13  VAL   1          3HG1      VAL   1   2.869   1.680  -2.555
    7   HG21  VAL   1          3HG2      VAL   1   1.535   2.633  -0.080
    8   HG22  VAL   1          1HG2      VAL   1   1.984   1.607   1.282
    9   HG23  VAL   1          2HG2      VAL   1   3.220   2.534   0.431
   10    H    PHE   2           H        PHE   2   1.752  -2.091  -0.619
   11    HA   PHE   2           HA       PHE   2   2.884  -3.010  -2.978
   12    HB2  PHE   2           2HB      PHE   2   2.270  -4.096  -0.484
   13    HB3  PHE   2           3HB      PHE   2   1.382  -5.098  -1.627
   14    HD1  PHE   2           HD1      PHE   2   4.734  -3.454  -1.670
   15    HD2  PHE   2           HD2      PHE   2   2.492  -7.052  -2.061
   16    HE1  PHE   2           HE1      PHE   2   6.802  -4.682  -2.190
   17    HE2  PHE   2           HE2      PHE   2   4.557  -8.285  -2.580
   18    HZ   PHE   2           HZ       PHE   2   6.715  -7.101  -2.645
   19    H    ALA   3           H        ALA   3  -0.496  -2.981  -1.967
   20    HA   ALA   3           HA       ALA   3  -1.614  -4.549  -3.964
   21    HB1  ALA   3           1HB      ALA   3  -2.781  -3.605  -1.953
   22    HB2  ALA   3           2HB      ALA   3  -2.900  -2.077  -2.826
   23    HB3  ALA   3           3HB      ALA   3  -3.695  -3.518  -3.459
   24    H    SER   4           H        SER   4  -0.716  -1.134  -4.021
   25    HA   SER   4           HA       SER   4  -1.897  -0.364  -6.408
   26    HB2  SER   4           2HB      SER   4  -0.690   1.129  -4.771
   27    HB3  SER   4           3HB      SER   4   0.827   0.551  -5.461
   28    HG   SER   4           HG       SER   4   0.413   2.308  -6.642
   29    H    LEU   5           H        LEU   5   1.216  -1.956  -5.861
   30    HA   LEU   5           HA       LEU   5   1.660  -2.141  -8.743
   31    HB2  LEU   5           2HB      LEU   5   3.555  -3.379  -6.842
   32    HB3  LEU   5           3HB      LEU   5   3.864  -2.444  -8.304
   33    HG   LEU   5           HG       LEU   5   2.937  -0.490  -6.713
   34   HD11  LEU   5          1HD1      LEU   5   2.852  -2.386  -4.893
   35   HD12  LEU   5          2HD1      LEU   5   3.372  -0.752  -4.484
   36   HD13  LEU   5          3HD1      LEU   5   4.571  -2.017  -4.751
   37   HD21  LEU   5          3HD2      LEU   5   5.229   0.161  -6.388
   38   HD22  LEU   5          1HD2      LEU   5   5.064  -0.573  -7.983
   39   HD23  LEU   5          2HD2      LEU   5   5.780  -1.492  -6.659
   40    HA   PRO   6           HA       PRO   6   0.398  -6.326  -9.139
   41    HB2  PRO   6           2HB      PRO   6   2.199  -7.276 -10.934
   42    HB3  PRO   6           3HB      PRO   6   0.907  -6.153 -11.373
   43    HG2  PRO   6           2HG      PRO   6   3.792  -5.592 -10.807
   44    HG3  PRO   6           3HG      PRO   6   2.757  -4.942 -12.092
   45    HD2  PRO   6           2HD      PRO   6   3.332  -3.551  -9.840
   46    HD3  PRO   6           3HD      PRO   6   1.784  -3.388 -10.694
   47    H    GLY   7           H        GLY   7   1.196  -6.598  -6.815
   48    HA2  GLY   7           2HA      GLY   7   3.478  -8.477  -6.788
   49    HA3  GLY   7           3HA      GLY   7   3.115  -7.387  -5.458
   50    H    ILE   8           H        ILE   8   1.886  -8.123  -3.843
   51    HA   ILE   8           HA       ILE   8  -0.005 -10.287  -4.308
   52    HB   ILE   8           HB       ILE   8   0.891 -11.557  -2.328
   53   HG12  ILE   8          2HG1      ILE   8   3.342  -9.854  -2.829
   54   HG13  ILE   8          3HG1      ILE   8   2.289  -9.726  -1.424
   55   HG21  ILE   8          1HG2      ILE   8   2.968 -11.507  -4.475
   56   HG22  ILE   8          2HG2      ILE   8   2.240 -12.885  -3.650
   57   HG23  ILE   8          3HG2      ILE   8   1.316 -11.992  -4.857
   58   HD11  ILE   8          3HD1      ILE   8   4.252 -11.846  -2.137
   59   HD12  ILE   8          1HD1      ILE   8   4.008 -11.001  -0.608
   60   HD13  ILE   8          2HD1      ILE   8   2.867 -12.246  -1.120
   61    H    ILE   9           H        ILE   9  -1.445 -10.646  -2.489
   62    HA   ILE   9           HA       ILE   9  -1.897  -8.168  -1.009
   63    HB   ILE   9           HB       ILE   9  -4.113  -9.069  -0.504
   64   HG12  ILE   9          2HG1      ILE   9  -4.487 -11.246  -2.127
   65   HG13  ILE   9          3HG1      ILE   9  -2.868 -11.540  -1.501
   66   HG21  ILE   9          1HG2      ILE   9  -4.421  -7.915  -2.411
   67   HG22  ILE   9          2HG2      ILE   9  -3.099  -8.734  -3.242
   68   HG23  ILE   9          3HG2      ILE   9  -4.675  -9.514  -3.111
   69   HD11  ILE   9          3HD1      ILE   9  -3.600 -11.804   0.646
   70   HD12  ILE   9          1HD1      ILE   9  -5.028 -10.799   0.402
   71   HD13  ILE   9          2HD1      ILE   9  -4.979 -12.437  -0.253
   72    H    PHE  10           H        PHE  10   0.155 -10.277  -0.330
   73    HA   PHE  10           HA       PHE  10  -0.663 -11.643   1.999
   74    HB2  PHE  10           2HB      PHE  10   1.398 -12.104   0.584
   75    HB3  PHE  10           3HB      PHE  10   2.154 -10.741   1.402
   76    HD1  PHE  10           HD2      PHE  10   2.147 -10.835   4.002
   77    HD2  PHE  10           HD1      PHE  10   1.595 -14.218   1.478
   78    HE1  PHE  10           HE2      PHE  10   2.825 -12.317   5.845
   79    HE2  PHE  10           HE1      PHE  10   2.271 -15.705   3.318
   80    HZ   PHE  10           HZ       PHE  10   2.888 -14.756   5.504
   81    H    THR  11           H        THR  11   1.132  -8.601   1.576
   82    HA   THR  11           HA       THR  11   1.391  -7.996   4.308
   83    HB   THR  11           HB       THR  11   2.757  -6.848   2.674
   84    HG1  THR  11           HG1      THR  11   2.549  -5.555   4.416
   85   HG21  THR  11          3HG2      THR  11   0.241  -5.480   1.722
   86   HG22  THR  11          1HG2      THR  11   1.042  -6.797   0.868
   87   HG23  THR  11          2HG2      THR  11   1.873  -5.259   1.094
   88    H    ARG  12           H        ARG  12  -1.124  -7.212   1.955
   89    HA   ARG  12           HA       ARG  12  -2.596  -5.396   3.473
   90    HB2  ARG  12           2HB      ARG  12  -3.315  -7.315   1.282
   91    HB3  ARG  12           3HB      ARG  12  -4.572  -6.386   2.090
   92    HG2  ARG  12           2HG      ARG  12  -2.833  -4.416   1.519
   93    HG3  ARG  12           3HG      ARG  12  -2.505  -5.522   0.183
   94    HD2  ARG  12           2HD      ARG  12  -4.480  -5.109  -0.797
   95    HD3  ARG  12           3HD      ARG  12  -5.350  -5.135   0.736
   96    HE   ARG  12           HE       ARG  12  -4.433  -2.835  -0.666
   97   HH11  ARG  12          1HH1      ARG  12  -4.987  -4.118   2.522
   98   HH12  ARG  12          2HH1      ARG  12  -5.230  -2.563   3.247
   99   HH21  ARG  12          1HH2      ARG  12  -4.750  -0.782   0.277
  100   HH22  ARG  12          2HH2      ARG  12  -5.096  -0.667   1.969
  101    H    SER  13           H        SER  13  -2.891  -8.932   3.271
  102    HA   SER  13           HA       SER  13  -5.055  -9.190   5.041
  103    HB2  SER  13           2HB      SER  13  -4.461 -11.039   3.620
  104    HB3  SER  13           3HB      SER  13  -2.844 -11.123   4.319
  105    HG   SER  13           HG       SER  13  -4.946 -12.442   5.102
  106    H    GLN  14           H        GLN  14  -1.559  -9.258   5.599
  107    HA   GLN  14           HA       GLN  14  -1.632  -9.910   8.326
  108    HB2  GLN  14           2HB      GLN  14   0.359  -8.615   6.519
  109    HB3  GLN  14           3HB      GLN  14   0.627  -8.528   8.255
  110    HG2  GLN  14           2HG      GLN  14   0.412 -11.020   8.323
  111    HG3  GLN  14           3HG      GLN  14   0.398 -10.999   6.561
  112   HE21  GLN  14          1HE2      GLN  14   2.308 -11.777   8.935
  113   HE22  GLN  14          2HE2      GLN  14   3.846 -11.257   8.343
  114    H    LYS  15           H        LYS  15  -1.782  -6.801   6.661
  115    HA   LYS  15           HA       LYS  15  -1.522  -5.087   8.827
  116    HB2  LYS  15           2HB      LYS  15  -1.537  -4.221   6.584
  117    HB3  LYS  15           3HB      LYS  15  -3.171  -4.812   6.312
  118    HG2  LYS  15           2HG      LYS  15  -3.246  -2.445   6.658
  119    HG3  LYS  15           3HG      LYS  15  -3.980  -3.245   8.050
  120    HD2  LYS  15           2HD      LYS  15  -2.647  -1.810   9.189
  121    HD3  LYS  15           3HD      LYS  15  -1.452  -3.082   8.923
  122    HE2  LYS  15           2HE      LYS  15  -0.291  -1.227   8.219
  123    HE3  LYS  15           3HE      LYS  15  -0.996  -1.782   6.702
  124    HZ1  LYS  15           3HZ      LYS  15  -1.217   0.720   7.726
  125    HZ2  LYS  15           1HZ      LYS  15  -2.701   0.022   8.142
  126    HZ3  LYS  15           2HZ      LYS  15  -2.208   0.062   6.524
  127    H    GLU  16           H        GLU  16  -4.375  -6.794   7.635
  128    HA   GLU  16           HA       GLU  16  -6.070  -5.603   9.664
  129    HB2  GLU  16           2HB      GLU  16  -7.173  -5.947   7.607
  130    HB3  GLU  16           3HB      GLU  16  -6.538  -7.578   7.443
  131    HG2  GLU  16           2HG      GLU  16  -8.159  -8.483   8.707
  132    HG3  GLU  16           3HG      GLU  16  -8.213  -7.111   9.812
  133    H    GLY  17           H        GLY  17  -4.263  -8.526   9.146
  134    HA2  GLY  17           2HA      GLY  17  -3.588  -9.938  10.927
  135    HA3  GLY  17           3HA      GLY  17  -4.980  -9.394  11.851
  136    H    LEU  18           H        LEU  18  -6.872 -10.510  11.737
  137    HA   LEU  18           HA       LEU  18  -6.823 -12.955  10.099
  138    HB2  LEU  18           2HB      LEU  18  -7.973 -12.312  12.778
  139    HB3  LEU  18           3HB      LEU  18  -8.692 -13.596  11.809
  140    HG   LEU  18           HG       LEU  18  -6.423 -14.679  11.744
  141   HD11  LEU  18          1HD1      LEU  18  -4.754 -13.289  12.316
  142   HD12  LEU  18          2HD1      LEU  18  -5.160 -13.781  13.960
  143   HD13  LEU  18          3HD1      LEU  18  -5.799 -12.271  13.309
  144   HD21  LEU  18          3HD2      LEU  18  -8.272 -15.339  13.281
  145   HD22  LEU  18          1HD2      LEU  18  -7.558 -14.294  14.510
  146   HD23  LEU  18          2HD2      LEU  18  -6.658 -15.684  13.903
  Start of MODEL    6
    1    H1   VAL   1           H        VAL   1   0.363  -0.009   0.448
    2    HA   VAL   1           HA       VAL   1   0.016   0.868  -2.204
    3    HB   VAL   1           HB       VAL   1   2.611  -0.010  -0.933
    4   HG11  VAL   1          1HG1      VAL   1   3.287   2.033  -2.502
    5   HG12  VAL   1          2HG1      VAL   1   3.223   0.370  -3.090
    6   HG13  VAL   1          3HG1      VAL   1   1.876   1.467  -3.396
    7   HG21  VAL   1          3HG2      VAL   1   0.859   2.239  -0.344
    8   HG22  VAL   1          1HG2      VAL   1   2.236   1.609   0.560
    9   HG23  VAL   1          2HG2      VAL   1   2.496   2.738  -0.770
   10    H    PHE   2           H        PHE   2   1.363  -2.144  -0.890
   11    HA   PHE   2           HA       PHE   2   2.159  -3.335  -3.266
   12    HB2  PHE   2           2HB      PHE   2   1.427  -4.291  -0.565
   13    HB3  PHE   2           3HB      PHE   2   1.344  -5.494  -1.848
   14    HD1  PHE   2           HD1      PHE   2   3.689  -2.687  -1.108
   15    HD2  PHE   2           HD2      PHE   2   3.184  -6.857  -1.792
   16    HE1  PHE   2           HE1      PHE   2   6.125  -3.002  -0.963
   17    HE2  PHE   2           HE2      PHE   2   5.619  -7.179  -1.647
   18    HZ   PHE   2           HZ       PHE   2   7.092  -5.251  -1.231
   19    H    ALA   3           H        ALA   3  -1.023  -3.260  -1.740
   20    HA   ALA   3           HA       ALA   3  -2.314  -5.082  -3.443
   21    HB1  ALA   3           1HB      ALA   3  -3.030  -3.555  -1.250
   22    HB2  ALA   3           2HB      ALA   3  -4.048  -2.937  -2.551
   23    HB3  ALA   3           3HB      ALA   3  -4.076  -4.654  -2.150
   24    H    SER   4           H        SER   4  -1.807  -1.593  -3.689
   25    HA   SER   4           HA       SER   4  -3.449  -1.132  -5.922
   26    HB2  SER   4           2HB      SER   4  -2.752   0.783  -4.731
   27    HB3  SER   4           3HB      SER   4  -1.053   0.314  -4.802
   28    HG   SER   4           HG       SER   4  -2.623   1.018  -7.059
   29    H    LEU   5           H        LEU   5   0.049  -1.755  -5.720
   30    HA   LEU   5           HA       LEU   5   0.328  -1.871  -8.580
   31    HB2  LEU   5           2HB      LEU   5   2.649  -2.670  -8.002
   32    HB3  LEU   5           3HB      LEU   5   2.207  -1.066  -7.420
   33    HG   LEU   5           HG       LEU   5   1.592  -2.888  -5.352
   34   HD11  LEU   5          1HD1      LEU   5   3.367  -4.201  -6.856
   35   HD12  LEU   5          2HD1      LEU   5   3.337  -4.303  -5.096
   36   HD13  LEU   5          3HD1      LEU   5   4.477  -3.222  -5.897
   37   HD21  LEU   5          3HD2      LEU   5   2.468  -0.434  -5.438
   38   HD22  LEU   5          1HD2      LEU   5   4.055  -1.201  -5.379
   39   HD23  LEU   5          2HD2      LEU   5   2.895  -1.475  -4.080
   40    HA   PRO   6           HA       PRO   6  -0.452  -6.131  -9.290
   41    HB2  PRO   6           2HB      PRO   6   1.349  -6.691 -11.242
   42    HB3  PRO   6           3HB      PRO   6  -0.093  -5.708 -11.519
   43    HG2  PRO   6           2HG      PRO   6   2.729  -4.836 -11.034
   44    HG3  PRO   6           3HG      PRO   6   1.553  -4.216 -12.207
   45    HD2  PRO   6           2HD      PRO   6   2.077  -2.959  -9.867
   46    HD3  PRO   6           3HD      PRO   6   0.476  -2.921 -10.634
   47    H    GLY   7           H        GLY   7   0.248  -6.940  -7.237
   48    HA2  GLY   7           2HA      GLY   7   2.644  -8.582  -7.462
   49    HA3  GLY   7           3HA      GLY   7   2.631  -7.409  -6.153
   50    H    ILE   8           H        ILE   8   2.569  -8.801  -4.447
   51    HA   ILE   8           HA       ILE   8   0.359 -10.736  -4.350
   52    HB   ILE   8           HB       ILE   8   1.553 -11.833  -2.541
   53   HG12  ILE   8          2HG1      ILE   8   3.639  -9.675  -2.926
   54   HG13  ILE   8          3HG1      ILE   8   2.583  -9.849  -1.529
   55   HG21  ILE   8          1HG2      ILE   8   2.721 -12.995  -4.034
   56   HG22  ILE   8          2HG2      ILE   8   2.349 -11.731  -5.206
   57   HG23  ILE   8          3HG2      ILE   8   3.848 -11.660  -4.279
   58   HD11  ILE   8          3HD1      ILE   8   3.717 -12.265  -1.514
   59   HD12  ILE   8          1HD1      ILE   8   5.014 -11.341  -2.272
   60   HD13  ILE   8          2HD1      ILE   8   4.405 -10.869  -0.685
   61    H    ILE   9           H        ILE   9  -0.200 -11.124  -1.837
   62    HA   ILE   9           HA       ILE   9  -0.839  -8.474  -0.715
   63    HB   ILE   9           HB       ILE   9  -2.849  -9.816   0.308
   64   HG12  ILE   9          2HG1      ILE   9  -3.726 -11.512  -1.248
   65   HG13  ILE   9          3HG1      ILE   9  -2.277 -11.356  -2.235
   66   HG21  ILE   9          1HG2      ILE   9  -4.016  -8.446  -0.996
   67   HG22  ILE   9          2HG2      ILE   9  -2.515  -8.075  -1.844
   68   HG23  ILE   9          3HG2      ILE   9  -3.573  -9.352  -2.442
   69   HD11  ILE   9          3HD1      ILE   9  -2.588 -13.264  -0.414
   70   HD12  ILE   9          1HD1      ILE   9  -1.015 -12.574  -0.811
   71   HD13  ILE   9          2HD1      ILE   9  -1.887 -12.017   0.617
   72    H    PHE  10           H        PHE  10   1.338 -10.524  -0.189
   73    HA   PHE  10           HA       PHE  10   0.960 -11.825   2.236
   74    HB2  PHE  10           2HB      PHE  10   2.966 -11.892   0.592
   75    HB3  PHE  10           3HB      PHE  10   3.584 -10.539   1.533
   76    HD1  PHE  10           HD1      PHE  10   2.491 -14.067   1.768
   77    HD2  PHE  10           HD2      PHE  10   4.666 -10.888   3.579
   78    HE1  PHE  10           HE1      PHE  10   3.419 -15.644   3.412
   79    HE2  PHE  10           HE2      PHE  10   5.598 -12.461   5.226
   80    HZ   PHE  10           HZ       PHE  10   4.976 -14.842   5.143
   81    H    THR  11           H        THR  11   2.249  -8.561   1.652
   82    HA   THR  11           HA       THR  11   2.703  -7.849   4.309
   83    HB   THR  11           HB       THR  11   3.579  -6.477   2.530
   84    HG1  THR  11           HG1      THR  11   3.348  -4.729   3.712
   85   HG21  THR  11          3HG2      THR  11   2.196  -5.148   1.070
   86   HG22  THR  11          1HG2      THR  11   0.734  -5.690   1.893
   87   HG23  THR  11          2HG2      THR  11   1.689  -6.833   0.948
   88    H    ARG  12           H        ARG  12  -0.224  -7.610   2.344
   89    HA   ARG  12           HA       ARG  12  -1.790  -6.099   4.090
   90    HB2  ARG  12           2HB      ARG  12  -2.538  -8.223   2.082
   91    HB3  ARG  12           3HB      ARG  12  -3.732  -7.275   2.958
   92    HG2  ARG  12           2HG      ARG  12  -2.118  -5.326   1.961
   93    HG3  ARG  12           3HG      ARG  12  -2.043  -6.544   0.686
   94    HD2  ARG  12           2HD      ARG  12  -3.908  -5.451  -0.007
   95    HD3  ARG  12           3HD      ARG  12  -4.670  -6.576   1.118
   96    HE   ARG  12           HE       ARG  12  -3.919  -4.193   2.449
   97   HH11  ARG  12          1HH1      ARG  12  -6.276  -5.472   0.230
   98   HH12  ARG  12          2HH1      ARG  12  -7.508  -4.340   0.682
   99   HH21  ARG  12          1HH2      ARG  12  -5.532  -2.697   3.053
  100   HH22  ARG  12          2HH2      ARG  12  -7.083  -2.762   2.287
  101    H    SER  13           H        SER  13  -1.247  -9.591   3.935
  102    HA   SER  13           HA       SER  13  -3.127 -10.358   5.869
  103    HB2  SER  13           2HB      SER  13  -2.049 -11.974   4.378
  104    HB3  SER  13           3HB      SER  13  -0.493 -11.668   5.149
  105    HG   SER  13           HG       SER  13  -1.080 -12.828   6.832
  106    H    GLN  14           H        GLN  14   0.341  -9.640   6.199
  107    HA   GLN  14           HA       GLN  14   0.527 -10.085   8.957
  108    HB2  GLN  14           2HB      GLN  14   2.450  -9.821   7.372
  109    HB3  GLN  14           3HB      GLN  14   2.130  -8.092   7.349
  110    HG2  GLN  14           2HG      GLN  14   3.838  -8.299   8.892
  111    HG3  GLN  14           3HG      GLN  14   2.394  -8.217   9.898
  112   HE21  GLN  14          1HE2      GLN  14   2.032  -9.798  11.309
  113   HE22  GLN  14          2HE2      GLN  14   2.912 -11.282  11.394
  114    H    LYS  15           H        LYS  15  -0.220  -7.145   7.131
  115    HA   LYS  15           HA       LYS  15  -0.297  -5.363   9.292
  116    HB2  LYS  15           2HB      LYS  15  -0.268  -4.624   6.955
  117    HB3  LYS  15           3HB      LYS  15  -1.875  -5.297   6.712
  118    HG2  LYS  15           2HG      LYS  15  -2.251  -3.022   6.999
  119    HG3  LYS  15           3HG      LYS  15  -2.616  -3.713   8.582
  120    HD2  LYS  15           2HD      LYS  15  -0.763  -2.795   9.561
  121    HD3  LYS  15           3HD      LYS  15   0.166  -2.798   8.060
  122    HE2  LYS  15           2HE      LYS  15  -0.337  -0.526   8.654
  123    HE3  LYS  15           3HE      LYS  15  -1.276  -0.959   7.227
  124    HZ1  LYS  15           3HZ      LYS  15  -2.622   0.250   8.815
  125    HZ2  LYS  15           1HZ      LYS  15  -2.291  -0.895  10.017
  126    HZ3  LYS  15           2HZ      LYS  15  -3.195  -1.334   8.656
  127    H    GLU  16           H        GLU  16  -2.885  -7.285   7.796
  128    HA   GLU  16           HA       GLU  16  -4.314  -7.336  10.311
  129    HB2  GLU  16           2HB      GLU  16  -6.440  -6.531   9.254
  130    HB3  GLU  16           3HB      GLU  16  -5.212  -5.290   9.459
  131    HG2  GLU  16           2HG      GLU  16  -4.634  -5.401   7.131
  132    HG3  GLU  16           3HG      GLU  16  -5.724  -6.765   6.888
  133    H    GLY  17           H        GLY  17  -5.942  -8.948  10.396
  134    HA2  GLY  17           2HA      GLY  17  -5.716 -10.920   8.211
  135    HA3  GLY  17           3HA      GLY  17  -5.991 -11.332   9.897
  136    H    LEU  18           H        LEU  18  -8.037  -9.934  10.736
  137    HA   LEU  18           HA       LEU  18 -10.186 -10.352   8.767
  138    HB2  LEU  18           2HB      LEU  18  -9.865 -12.023  10.781
  139    HB3  LEU  18           3HB      LEU  18 -10.701 -10.753  11.672
  140    HG   LEU  18           HG       LEU  18 -12.291 -12.420  10.995
  141   HD11  LEU  18          1HD1      LEU  18 -13.875 -11.056   9.809
  142   HD12  LEU  18          2HD1      LEU  18 -12.587 -10.015   9.202
  143   HD13  LEU  18          3HD1      LEU  18 -12.965 -10.038  10.925
  144   HD21  LEU  18          3HD2      LEU  18 -10.678 -12.741   8.777
  145   HD22  LEU  18          1HD2      LEU  18 -12.146 -12.013   8.123
  146   HD23  LEU  18          2HD2      LEU  18 -12.242 -13.510   9.051
  Start of MODEL    7
    1    H1   VAL   1           H        VAL   1   3.187  -1.112   0.911
    2    HA   VAL   1           HA       VAL   1   3.447  -0.269  -1.758
    3    HB   VAL   1           HB       VAL   1   5.200  -2.244  -0.289
    4   HG11  VAL   1          1HG1      VAL   1   5.612  -0.566  -2.751
    5   HG12  VAL   1          2HG1      VAL   1   6.949  -1.267  -1.837
    6   HG13  VAL   1          3HG1      VAL   1   5.746  -2.317  -2.587
    7   HG21  VAL   1          3HG2      VAL   1   5.149   0.760  -0.313
    8   HG22  VAL   1          1HG2      VAL   1   5.133  -0.330   1.073
    9   HG23  VAL   1          2HG2      VAL   1   6.599  -0.150   0.109
   10    H    PHE   2           H        PHE   2   3.190  -3.544  -0.385
   11    HA   PHE   2           HA       PHE   2   3.353  -4.994  -2.744
   12    HB2  PHE   2           2HB      PHE   2   2.423  -5.475  -0.021
   13    HB3  PHE   2           3HB      PHE   2   1.529  -6.413  -1.212
   14    HD1  PHE   2           HD1      PHE   2   5.103  -5.388  -1.178
   15    HD2  PHE   2           HD2      PHE   2   2.298  -8.584  -0.998
   16    HE1  PHE   2           HE1      PHE   2   6.950  -7.010  -1.279
   17    HE2  PHE   2           HE2      PHE   2   4.140 -10.211  -1.098
   18    HZ   PHE   2           HZ       PHE   2   6.470  -9.425  -1.238
   19    H    ALA   3           H        ALA   3   0.443  -3.744  -1.123
   20    HA   ALA   3           HA       ALA   3  -1.401  -4.667  -3.039
   21    HB1  ALA   3           1HB      ALA   3  -1.984  -2.165  -1.551
   22    HB2  ALA   3           2HB      ALA   3  -2.993  -3.587  -1.818
   23    HB3  ALA   3           3HB      ALA   3  -1.700  -3.635  -0.618
   24    H    SER   4           H        SER   4   0.393  -1.637  -2.749
   25    HA   SER   4           HA       SER   4  -0.894  -0.208  -4.783
   26    HB2  SER   4           2HB      SER   4   0.536   1.013  -3.337
   27    HB3  SER   4           3HB      SER   4   1.902  -0.056  -3.658
   28    HG   SER   4           HG       SER   4   2.167   1.829  -4.837
   29    H    LEU   5           H        LEU   5   1.969  -2.304  -4.904
   30    HA   LEU   5           HA       LEU   5   2.291  -1.989  -7.738
   31    HB2  LEU   5           2HB      LEU   5   3.572  -3.655  -5.619
   32    HB3  LEU   5           3HB      LEU   5   3.826  -4.065  -7.315
   33    HG   LEU   5           HG       LEU   5   5.663  -2.727  -6.400
   34   HD11  LEU   5          1HD1      LEU   5   5.735  -1.042  -8.158
   35   HD12  LEU   5          2HD1      LEU   5   4.007  -1.251  -8.443
   36   HD13  LEU   5          3HD1      LEU   5   5.123  -2.576  -8.777
   37   HD21  LEU   5          3HD2      LEU   5   5.284  -0.369  -5.831
   38   HD22  LEU   5          1HD2      LEU   5   4.436  -1.458  -4.734
   39   HD23  LEU   5          2HD2      LEU   5   3.545  -0.615  -6.001
   40    HA   PRO   6           HA       PRO   6  -0.325  -5.162  -9.270
   41    HB2  PRO   6           2HB      PRO   6   1.157  -6.184 -11.302
   42    HB3  PRO   6           3HB      PRO   6   0.392  -4.592 -11.377
   43    HG2  PRO   6           2HG      PRO   6   3.231  -5.300 -10.746
   44    HG3  PRO   6           3HG      PRO   6   2.605  -3.997 -11.772
   45    HD2  PRO   6           2HD      PRO   6   3.454  -3.574  -9.236
   46    HD3  PRO   6           3HD      PRO   6   2.141  -2.633  -9.973
   47    H    GLY   7           H        GLY   7   2.626  -5.896  -7.789
   48    HA2  GLY   7           2HA      GLY   7   3.039  -8.588  -8.217
   49    HA3  GLY   7           3HA      GLY   7   3.349  -7.779  -6.688
   50    H    ILE   8           H        ILE   8   1.776  -7.837  -5.049
   51    HA   ILE   8           HA       ILE   8  -0.642  -9.380  -5.477
   52    HB   ILE   8           HB       ILE   8  -0.114 -10.901  -3.541
   53   HG12  ILE   8          2HG1      ILE   8   2.700  -9.926  -4.079
   54   HG13  ILE   8          3HG1      ILE   8   1.768  -9.631  -2.615
   55   HG21  ILE   8          1HG2      ILE   8   0.071 -11.416  -6.064
   56   HG22  ILE   8          2HG2      ILE   8   1.811 -11.386  -5.782
   57   HG23  ILE   8          3HG2      ILE   8   0.797 -12.539  -4.914
   58   HD11  ILE   8          3HD1      ILE   8   3.386 -11.899  -3.347
   59   HD12  ILE   8          1HD1      ILE   8   2.721 -11.445  -1.778
   60   HD13  ILE   8          2HD1      ILE   8   1.749 -12.388  -2.909
   61    H    ILE   9           H        ILE   9  -1.626  -9.762  -3.089
   62    HA   ILE   9           HA       ILE   9  -1.448  -7.151  -1.732
   63    HB   ILE   9           HB       ILE   9  -3.853  -7.748  -0.980
   64   HG12  ILE   9          2HG1      ILE   9  -5.084  -9.058  -2.727
   65   HG13  ILE   9          3HG1      ILE   9  -3.529  -9.506  -3.420
   66   HG21  ILE   9          1HG2      ILE   9  -4.465  -6.145  -2.404
   67   HG22  ILE   9          2HG2      ILE   9  -2.811  -6.203  -3.011
   68   HG23  ILE   9          3HG2      ILE   9  -4.076  -7.134  -3.811
   69   HD11  ILE   9          3HD1      ILE   9  -2.945 -10.779  -1.530
   70   HD12  ILE   9          1HD1      ILE   9  -4.260 -10.100  -0.572
   71   HD13  ILE   9          2HD1      ILE   9  -4.616 -11.198  -1.905
   72    H    PHE  10           H        PHE  10   0.203  -9.346  -1.060
   73    HA   PHE  10           HA       PHE  10  -0.703 -10.988   0.983
   74    HB2  PHE  10           2HB      PHE  10   1.550 -11.065  -0.171
   75    HB3  PHE  10           3HB      PHE  10   2.050  -9.752   0.890
   76    HD1  PHE  10           HD2      PHE  10  -0.007 -12.764   1.619
   77    HD2  PHE  10           HD1      PHE  10   3.629 -10.663   2.311
   78    HE1  PHE  10           HE2      PHE  10   0.606 -14.402   3.349
   79    HE2  PHE  10           HE1      PHE  10   4.249 -12.298   4.041
   80    HZ   PHE  10           HZ       PHE  10   2.736 -14.170   4.563
   81    H    THR  11           H        THR  11   0.707  -7.737   1.208
   82    HA   THR  11           HA       THR  11   0.679  -7.496   3.991
   83    HB   THR  11           HB       THR  11   1.884  -5.889   2.654
   84    HG1  THR  11           HG1      THR  11   1.097  -3.977   3.666
   85   HG21  THR  11          3HG2      THR  11   0.310  -5.892   0.726
   86   HG22  THR  11          1HG2      THR  11   0.806  -4.275   1.223
   87   HG23  THR  11          2HG2      THR  11  -0.787  -4.885   1.669
   88    H    ARG  12           H        ARG  12  -1.830  -6.818   1.598
   89    HA   ARG  12           HA       ARG  12  -3.675  -5.563   3.289
   90    HB2  ARG  12           2HB      ARG  12  -4.304  -7.337   0.924
   91    HB3  ARG  12           3HB      ARG  12  -5.343  -6.097   1.613
   92    HG2  ARG  12           2HG      ARG  12  -2.649  -5.498   0.426
   93    HG3  ARG  12           3HG      ARG  12  -4.145  -5.483  -0.510
   94    HD2  ARG  12           2HD      ARG  12  -4.190  -3.949   2.006
   95    HD3  ARG  12           3HD      ARG  12  -3.122  -3.323   0.749
   96    HE   ARG  12           HE       ARG  12  -5.442  -3.761  -0.571
   97   HH11  ARG  12          1HH1      ARG  12  -4.637  -2.041   2.346
   98   HH12  ARG  12          2HH1      ARG  12  -5.912  -0.882   2.170
   99   HH21  ARG  12          1HH2      ARG  12  -7.124  -2.241  -0.815
  100   HH22  ARG  12          2HH2      ARG  12  -7.327  -0.996   0.371
  101    H    SER  13           H        SER  13  -3.389  -8.991   2.374
  102    HA   SER  13           HA       SER  13  -5.538  -9.919   3.924
  103    HB2  SER  13           2HB      SER  13  -4.733 -11.395   2.265
  104    HB3  SER  13           3HB      SER  13  -3.069 -11.260   2.833
  105    HG   SER  13           HG       SER  13  -4.749 -13.122   3.464
  106    H    GLN  14           H        GLN  14  -2.109  -9.520   4.673
  107    HA   GLN  14           HA       GLN  14  -2.077 -10.783   7.165
  108    HB2  GLN  14           2HB      GLN  14  -0.109  -9.910   5.775
  109    HB3  GLN  14           3HB      GLN  14  -0.434  -8.346   6.510
  110    HG2  GLN  14           2HG      GLN  14   0.024 -10.803   8.163
  111    HG3  GLN  14           3HG      GLN  14   1.356  -9.812   7.571
  112   HE21  GLN  14          1HE2      GLN  14   0.848 -10.232  10.274
  113   HE22  GLN  14          2HE2      GLN  14   0.378  -8.732  10.990
  114    H    LYS  15           H        LYS  15  -2.889  -7.465   6.271
  115    HA   LYS  15           HA       LYS  15  -3.058  -6.326   8.798
  116    HB2  LYS  15           2HB      LYS  15  -3.341  -5.278   6.430
  117    HB3  LYS  15           3HB      LYS  15  -5.046  -5.649   6.653
  118    HG2  LYS  15           2HG      LYS  15  -3.625  -4.171   8.806
  119    HG3  LYS  15           3HG      LYS  15  -4.052  -3.313   7.324
  120    HD2  LYS  15           2HD      LYS  15  -6.402  -4.205   7.649
  121    HD3  LYS  15           3HD      LYS  15  -5.888  -4.705   9.262
  122    HE2  LYS  15           2HE      LYS  15  -5.752  -1.888   8.192
  123    HE3  LYS  15           3HE      LYS  15  -7.023  -2.509   9.244
  124    HZ1  LYS  15           3HZ      LYS  15  -5.098  -3.102  10.801
  125    HZ2  LYS  15           1HZ      LYS  15  -5.559  -1.477  10.691
  126    HZ3  LYS  15           2HZ      LYS  15  -4.182  -2.022   9.874
  127    H    GLU  16           H        GLU  16  -5.511  -8.126   6.978
  128    HA   GLU  16           HA       GLU  16  -7.352  -7.973   9.233
  129    HB2  GLU  16           2HB      GLU  16  -8.469  -7.653   7.192
  130    HB3  GLU  16           3HB      GLU  16  -7.586  -8.952   6.402
  131    HG2  GLU  16           2HG      GLU  16  -9.903  -9.565   6.816
  132    HG3  GLU  16           3HG      GLU  16  -8.791 -10.600   7.711
  133    H    GLY  17           H        GLY  17  -6.895  -9.348  10.839
  134    HA2  GLY  17           2HA      GLY  17  -7.263 -11.634  11.589
  135    HA3  GLY  17           3HA      GLY  17  -6.477 -12.179  10.114
  136    H    LEU  18           H        LEU  18  -5.888 -10.412  13.131
  137    HA   LEU  18           HA       LEU  18  -3.079 -11.288  12.996
  138    HB2  LEU  18           2HB      LEU  18  -3.804  -8.769  13.099
  139    HB3  LEU  18           3HB      LEU  18  -3.998  -9.111  14.817
  140    HG   LEU  18           HG       LEU  18  -1.430  -9.533  13.294
  141   HD11  LEU  18          1HD1      LEU  18  -2.632  -7.099  14.086
  142   HD12  LEU  18          2HD1      LEU  18  -1.016  -7.362  13.434
  143   HD13  LEU  18          3HD1      LEU  18  -1.281  -7.407  15.177
  144   HD21  LEU  18          3HD2      LEU  18  -1.556 -10.907  15.254
  145   HD22  LEU  18          1HD2      LEU  18  -2.125  -9.551  16.227
  146   HD23  LEU  18          2HD2      LEU  18  -0.479  -9.552  15.595
  Start of MODEL    8
    1    H1   VAL   1           H        VAL   1   0.218  -0.210   0.493
    2    HA   VAL   1           HA       VAL   1   0.337   0.703  -2.170
    3    HB   VAL   1           HB       VAL   1   2.603  -0.467  -0.552
    4   HG11  VAL   1          1HG1      VAL   1   4.053   0.808  -1.967
    5   HG12  VAL   1          2HG1      VAL   1   2.991  -0.153  -2.997
    6   HG13  VAL   1          3HG1      VAL   1   2.682   1.569  -2.772
    7   HG21  VAL   1          3HG2      VAL   1   3.030   2.031  -0.097
    8   HG22  VAL   1          1HG2      VAL   1   1.339   2.251  -0.545
    9   HG23  VAL   1          2HG2      VAL   1   1.761   1.220   0.822
   10    H    PHE   2           H        PHE   2   1.081  -2.449  -0.721
   11    HA   PHE   2           HA       PHE   2   2.022  -3.718  -3.028
   12    HB2  PHE   2           2HB      PHE   2   0.824  -4.661  -0.456
   13    HB3  PHE   2           3HB      PHE   2   1.038  -5.819  -1.765
   14    HD1  PHE   2           HD1      PHE   2   3.131  -2.995  -0.517
   15    HD2  PHE   2           HD2      PHE   2   2.839  -7.166  -1.311
   16    HE1  PHE   2           HE1      PHE   2   5.488  -3.279   0.127
   17    HE2  PHE   2           HE2      PHE   2   5.195  -7.458  -0.667
   18    HZ   PHE   2           HZ       PHE   2   6.523  -5.513   0.053
   19    H    ALA   3           H        ALA   3  -1.261  -3.426  -1.736
   20    HA   ALA   3           HA       ALA   3  -2.558  -5.090  -3.577
   21    HB1  ALA   3           1HB      ALA   3  -4.454  -3.222  -3.004
   22    HB2  ALA   3           2HB      ALA   3  -4.066  -4.612  -1.989
   23    HB3  ALA   3           3HB      ALA   3  -3.348  -3.038  -1.642
   24    H    SER   4           H        SER   4  -1.855  -1.616  -3.694
   25    HA   SER   4           HA       SER   4  -3.216  -1.086  -6.105
   26    HB2  SER   4           2HB      SER   4  -0.819   0.359  -4.948
   27    HB3  SER   4           3HB      SER   4  -1.928   0.994  -6.164
   28    HG   SER   4           HG       SER   4  -3.565   0.980  -4.639
   29    H    LEU   5           H        LEU   5   0.145  -1.968  -5.427
   30    HA   LEU   5           HA       LEU   5   0.970  -1.822  -8.159
   31    HB2  LEU   5           2HB      LEU   5   2.163  -2.679  -5.592
   32    HB3  LEU   5           3HB      LEU   5   2.857  -3.369  -7.058
   33    HG   LEU   5           HG       LEU   5   3.412  -1.159  -7.876
   34   HD11  LEU   5          1HD1      LEU   5   3.123   0.723  -6.076
   35   HD12  LEU   5          2HD1      LEU   5   1.785  -0.291  -5.537
   36   HD13  LEU   5          3HD1      LEU   5   1.811   0.329  -7.188
   37   HD21  LEU   5          3HD2      LEU   5   5.089  -2.184  -6.522
   38   HD22  LEU   5          1HD2      LEU   5   4.271  -1.692  -5.038
   39   HD23  LEU   5          2HD2      LEU   5   5.013  -0.477  -6.080
   40    HA   PRO   6           HA       PRO   6  -0.138  -5.774  -9.709
   41    HB2  PRO   6           2HB      PRO   6   2.042  -6.464 -11.172
   42    HB3  PRO   6           3HB      PRO   6   0.913  -5.198 -11.669
   43    HG2  PRO   6           2HG      PRO   6   3.573  -4.942 -10.320
   44    HG3  PRO   6           3HG      PRO   6   2.899  -3.988 -11.654
   45    HD2  PRO   6           2HD      PRO   6   2.912  -3.106  -9.094
   46    HD3  PRO   6           3HD      PRO   6   1.628  -2.681 -10.244
   47    H    GLY   7           H        GLY   7   2.652  -5.455  -7.712
   48    HA2  GLY   7           2HA      GLY   7   3.589  -8.084  -7.602
   49    HA3  GLY   7           3HA      GLY   7   3.709  -6.916  -6.294
   50    H    ILE   8           H        ILE   8   3.479  -9.159  -5.210
   51    HA   ILE   8           HA       ILE   8   0.903 -10.353  -5.113
   52    HB   ILE   8           HB       ILE   8   1.733 -11.780  -3.473
   53   HG12  ILE   8          2HG1      ILE   8   2.334 -10.171  -1.780
   54   HG13  ILE   8          3HG1      ILE   8   3.721 -11.218  -2.061
   55   HG21  ILE   8          1HG2      ILE   8   3.204 -11.366  -5.711
   56   HG22  ILE   8          2HG2      ILE   8   4.434 -11.192  -4.461
   57   HG23  ILE   8          3HG2      ILE   8   3.484 -12.674  -4.563
   58   HD11  ILE   8          3HD1      ILE   8   4.575  -9.409  -3.618
   59   HD12  ILE   8          1HD1      ILE   8   3.329  -8.375  -2.921
   60   HD13  ILE   8          2HD1      ILE   8   4.589  -9.053  -1.891
   61    H    ILE   9           H        ILE   9  -0.083 -10.649  -2.771
   62    HA   ILE   9           HA       ILE   9  -0.165  -8.094  -1.349
   63    HB   ILE   9           HB       ILE   9  -2.623  -8.099  -1.296
   64   HG12  ILE   9          2HG1      ILE   9  -3.467  -9.603  -3.414
   65   HG13  ILE   9          3HG1      ILE   9  -2.208 -10.633  -2.742
   66   HG21  ILE   9          1HG2      ILE   9  -1.465  -8.074  -4.081
   67   HG22  ILE   9          2HG2      ILE   9  -2.985  -7.327  -3.592
   68   HG23  ILE   9          3HG2      ILE   9  -1.460  -6.729  -2.940
   69   HD11  ILE   9          3HD1      ILE   9  -4.327  -9.469  -0.986
   70   HD12  ILE   9          1HD1      ILE   9  -4.624 -10.930  -1.929
   71   HD13  ILE   9          2HD1      ILE   9  -3.328 -10.900  -0.733
   72    H    PHE  10           H        PHE  10   0.777 -10.907  -0.867
   73    HA   PHE  10           HA       PHE  10  -0.861 -12.289   0.896
   74    HB2  PHE  10           2HB      PHE  10   1.319 -13.094  -0.060
   75    HB3  PHE  10           3HB      PHE  10   2.146 -12.074   1.113
   76    HD1  PHE  10           HD2      PHE  10   1.700 -12.502   3.581
   77    HD2  PHE  10           HD1      PHE  10   0.633 -15.243   0.505
   78    HE1  PHE  10           HE2      PHE  10   1.580 -14.313   5.242
   79    HE2  PHE  10           HE1      PHE  10   0.510 -17.059   2.161
   80    HZ   PHE  10           HZ       PHE  10   0.985 -16.595   4.532
   81    H    THR  11           H        THR  11   1.545  -9.773   1.607
   82    HA   THR  11           HA       THR  11   1.317  -9.745   4.376
   83    HB   THR  11           HB       THR  11   3.077  -8.498   3.306
   84    HG1  THR  11           HG1      THR  11   2.750  -6.451   4.403
   85   HG21  THR  11          3HG2      THR  11   2.701  -6.531   1.971
   86   HG22  THR  11          1HG2      THR  11   0.963  -6.618   2.252
   87   HG23  THR  11          2HG2      THR  11   1.763  -7.857   1.285
   88    H    ARG  12           H        ARG  12  -0.629  -8.096   1.930
   89    HA   ARG  12           HA       ARG  12  -2.135  -6.465   3.630
   90    HB2  ARG  12           2HB      ARG  12  -3.012  -7.758   1.041
   91    HB3  ARG  12           3HB      ARG  12  -3.776  -6.375   1.812
   92    HG2  ARG  12           2HG      ARG  12  -0.889  -6.263   1.055
   93    HG3  ARG  12           3HG      ARG  12  -2.144  -6.002  -0.158
   94    HD2  ARG  12           2HD      ARG  12  -1.875  -3.853   0.531
   95    HD3  ARG  12           3HD      ARG  12  -3.074  -4.368   1.717
   96    HE   ARG  12           HE       ARG  12  -0.410  -4.822   2.626
   97   HH11  ARG  12          1HH1      ARG  12  -2.857  -2.377   2.235
   98   HH12  ARG  12          2HH1      ARG  12  -2.253  -1.383   3.519
   99   HH21  ARG  12          1HH2      ARG  12   0.395  -3.521   4.318
  100   HH22  ARG  12          2HH2      ARG  12  -0.403  -2.034   4.702
  101    H    SER  13           H        SER  13  -2.848  -9.727   2.399
  102    HA   SER  13           HA       SER  13  -5.307 -10.050   3.702
  103    HB2  SER  13           2HB      SER  13  -4.967 -11.656   2.073
  104    HB3  SER  13           3HB      SER  13  -3.284 -11.917   2.533
  105    HG   SER  13           HG       SER  13  -5.606 -13.048   3.549
  106    H    GLN  14           H        GLN  14  -2.008 -10.747   4.747
  107    HA   GLN  14           HA       GLN  14  -2.621 -12.113   7.115
  108    HB2  GLN  14           2HB      GLN  14  -0.351 -11.829   5.942
  109    HB3  GLN  14           3HB      GLN  14  -0.236 -10.303   6.809
  110    HG2  GLN  14           2HG      GLN  14  -0.420 -11.487   8.932
  111    HG3  GLN  14           3HG      GLN  14  -0.550 -13.018   8.069
  112   HE21  GLN  14          1HE2      GLN  14   1.427 -12.172  10.018
  113   HE22  GLN  14          2HE2      GLN  14   2.962 -12.285   9.234
  114    H    LYS  15           H        LYS  15  -2.178  -8.662   6.469
  115    HA   LYS  15           HA       LYS  15  -2.350  -7.765   9.125
  116    HB2  LYS  15           2HB      LYS  15  -1.583  -6.423   7.142
  117    HB3  LYS  15           3HB      LYS  15  -3.268  -6.270   6.665
  118    HG2  LYS  15           2HG      LYS  15  -3.588  -5.316   9.060
  119    HG3  LYS  15           3HG      LYS  15  -1.843  -5.059   8.990
  120    HD2  LYS  15           2HD      LYS  15  -2.343  -3.938   6.711
  121    HD3  LYS  15           3HD      LYS  15  -4.004  -3.849   7.302
  122    HE2  LYS  15           2HE      LYS  15  -3.017  -1.796   7.893
  123    HE3  LYS  15           3HE      LYS  15  -3.049  -2.746   9.378
  124    HZ1  LYS  15           3HZ      LYS  15  -0.927  -1.659   9.121
  125    HZ2  LYS  15           1HZ      LYS  15  -0.703  -2.361   7.598
  126    HZ3  LYS  15           2HZ      LYS  15  -0.722  -3.333   8.982
  127    H    GLU  16           H        GLU  16  -4.834  -8.367   6.686
  128    HA   GLU  16           HA       GLU  16  -7.038  -7.256   7.929
  129    HB2  GLU  16           2HB      GLU  16  -6.733  -8.565   5.644
  130    HB3  GLU  16           3HB      GLU  16  -7.349  -9.907   6.597
  131    HG2  GLU  16           2HG      GLU  16  -9.247  -8.296   7.244
  132    HG3  GLU  16           3HG      GLU  16  -8.702  -7.344   5.864
  133    H    GLY  17           H        GLY  17  -7.715  -7.531   9.947
  134    HA2  GLY  17           2HA      GLY  17  -8.871  -9.656  11.083
  135    HA3  GLY  17           3HA      GLY  17  -7.173 -10.017  11.357
  136    H    LEU  18           H        LEU  18  -6.449  -7.195  11.673
  137    HA   LEU  18           HA       LEU  18  -7.407  -6.878  14.425
  138    HB2  LEU  18           2HB      LEU  18  -4.966  -5.937  12.963
  139    HB3  LEU  18           3HB      LEU  18  -5.454  -5.202  14.489
  140    HG   LEU  18           HG       LEU  18  -5.370  -7.590  15.435
  141   HD11  LEU  18          1HD1      LEU  18  -3.627  -8.971  14.212
  142   HD12  LEU  18          2HD1      LEU  18  -3.939  -7.938  12.817
  143   HD13  LEU  18          3HD1      LEU  18  -5.239  -8.916  13.498
  144   HD21  LEU  18          3HD2      LEU  18  -2.690  -7.344  15.288
  145   HD22  LEU  18          1HD2      LEU  18  -3.708  -6.373  16.351
  146   HD23  LEU  18          2HD2      LEU  18  -3.182  -5.722  14.799
  Start of MODEL    9
    1    H1   VAL   1           H        VAL   1   0.781   0.837  -0.114
    2    HA   VAL   1           HA       VAL   1   0.906   1.337  -2.885
    3    HB   VAL   1           HB       VAL   1   3.107   0.170  -1.180
    4   HG11  VAL   1          1HG1      VAL   1   2.979   1.466  -3.861
    5   HG12  VAL   1          2HG1      VAL   1   4.415   1.704  -2.862
    6   HG13  VAL   1          3HG1      VAL   1   3.920   0.075  -3.325
    7   HG21  VAL   1          3HG2      VAL   1   2.943   2.038   0.036
    8   HG22  VAL   1          1HG2      VAL   1   3.565   2.879  -1.384
    9   HG23  VAL   1          2HG2      VAL   1   1.826   2.783  -1.107
   10    H    PHE   2           H        PHE   2   1.545  -1.625  -1.017
   11    HA   PHE   2           HA       PHE   2   2.180  -3.279  -3.179
   12    HB2  PHE   2           2HB      PHE   2   1.123  -3.797  -0.418
   13    HB3  PHE   2           3HB      PHE   2   1.290  -5.123  -1.564
   14    HD1  PHE   2           HD1      PHE   2   3.364  -2.184  -0.558
   15    HD2  PHE   2           HD2      PHE   2   3.167  -6.381  -1.232
   16    HE1  PHE   2           HE1      PHE   2   5.744  -2.386   0.031
   17    HE2  PHE   2           HE2      PHE   2   5.547  -6.591  -0.644
   18    HZ   PHE   2           HZ       PHE   2   6.839  -4.592  -0.010
   19    H    ALA   3           H        ALA   3  -0.936  -2.546  -1.675
   20    HA   ALA   3           HA       ALA   3  -2.475  -4.375  -3.177
   21    HB1  ALA   3           1HB      ALA   3  -3.469  -1.771  -2.043
   22    HB2  ALA   3           2HB      ALA   3  -4.384  -3.251  -2.334
   23    HB3  ALA   3           3HB      ALA   3  -3.168  -3.202  -1.058
   24    H    SER   4           H        SER   4  -1.807  -0.913  -3.642
   25    HA   SER   4           HA       SER   4  -3.356  -0.592  -5.966
   26    HB2  SER   4           2HB      SER   4  -2.169   1.167  -4.402
   27    HB3  SER   4           3HB      SER   4  -0.854   1.004  -5.565
   28    HG   SER   4           HG       SER   4  -3.398   2.090  -5.887
   29    H    LEU   5           H        LEU   5   0.126  -1.212  -5.574
   30    HA   LEU   5           HA       LEU   5   0.623  -1.410  -8.372
   31    HB2  LEU   5           2HB      LEU   5   2.147  -1.897  -5.877
   32    HB3  LEU   5           3HB      LEU   5   2.722  -2.694  -7.340
   33    HG   LEU   5           HG       LEU   5   2.236   0.073  -7.896
   34   HD11  LEU   5          1HD1      LEU   5   2.714  -0.014  -5.302
   35   HD12  LEU   5          2HD1      LEU   5   3.422   1.230  -6.331
   36   HD13  LEU   5          3HD1      LEU   5   4.381  -0.172  -5.856
   37   HD21  LEU   5          3HD2      LEU   5   4.550  -1.822  -7.938
   38   HD22  LEU   5          1HD2      LEU   5   4.800  -0.102  -8.240
   39   HD23  LEU   5          2HD2      LEU   5   3.723  -1.033  -9.282
   40    HA   PRO   6           HA       PRO   6  -0.396  -5.578  -9.287
   41    HB2  PRO   6           2HB      PRO   6   1.648  -6.342 -10.902
   42    HB3  PRO   6           3HB      PRO   6   0.393  -5.207 -11.413
   43    HG2  PRO   6           2HG      PRO   6   3.164  -4.649 -10.428
   44    HG3  PRO   6           3HG      PRO   6   2.287  -3.908 -11.780
   45    HD2  PRO   6           2HD      PRO   6   2.527  -2.706  -9.365
   46    HD3  PRO   6           3HD      PRO   6   1.099  -2.496 -10.399
   47    H    GLY   7           H        GLY   7   2.388  -4.838  -7.496
   48    HA2  GLY   7           2HA      GLY   7   3.714  -7.261  -7.235
   49    HA3  GLY   7           3HA      GLY   7   3.602  -6.047  -5.969
   50    H    ILE   8           H        ILE   8   3.753  -8.466  -5.018
   51    HA   ILE   8           HA       ILE   8   1.383  -9.976  -4.857
   52    HB   ILE   8           HB       ILE   8   2.411 -11.242  -3.182
   53   HG12  ILE   8          2HG1      ILE   8   2.821  -9.504  -1.548
   54   HG13  ILE   8          3HG1      ILE   8   4.316 -10.395  -1.817
   55   HG21  ILE   8          1HG2      ILE   8   3.791 -10.626  -5.461
   56   HG22  ILE   8          2HG2      ILE   8   5.001 -10.363  -4.207
   57   HG23  ILE   8          3HG2      ILE   8   4.198 -11.927  -4.343
   58   HD11  ILE   8          3HD1      ILE   8   3.589  -7.638  -2.730
   59   HD12  ILE   8          1HD1      ILE   8   4.952  -8.154  -1.738
   60   HD13  ILE   8          2HD1      ILE   8   4.916  -8.542  -3.459
   61    H    ILE   9           H        ILE   9   0.284 -10.388  -2.672
   62    HA   ILE   9           HA       ILE   9  -0.184  -7.851  -1.257
   63    HB   ILE   9           HB       ILE   9  -2.585  -8.365  -1.135
   64   HG12  ILE   9          2HG1      ILE   9  -3.149 -10.115  -3.145
   65   HG13  ILE   9          3HG1      ILE   9  -1.676 -10.823  -2.491
   66   HG21  ILE   9          1HG2      ILE   9  -3.136  -7.536  -3.247
   67   HG22  ILE   9          2HG2      ILE   9  -1.479  -6.992  -2.993
   68   HG23  ILE   9          3HG2      ILE   9  -1.801  -8.382  -4.029
   69   HD11  ILE   9          3HD1      ILE   9  -2.660 -11.403  -0.538
   70   HD12  ILE   9          1HD1      ILE   9  -3.774 -10.036  -0.561
   71   HD13  ILE   9          2HD1      ILE   9  -4.082 -11.442  -1.580
   72    H    PHE  10           H        PHE  10   1.321 -10.402  -0.687
   73    HA   PHE  10           HA       PHE  10   0.025 -11.975   1.203
   74    HB2  PHE  10           2HB      PHE  10   2.331 -12.317   0.148
   75    HB3  PHE  10           3HB      PHE  10   2.940 -11.227   1.390
   76    HD1  PHE  10           HD2      PHE  10   2.897 -11.882   3.747
   77    HD2  PHE  10           HD1      PHE  10   1.674 -14.553   0.667
   78    HE1  PHE  10           HE2      PHE  10   3.077 -13.769   5.316
   79    HE2  PHE  10           HE1      PHE  10   1.852 -16.444   2.231
   80    HZ   PHE  10           HZ       PHE  10   2.555 -16.054   4.558
   81    H    THR  11           H        THR  11   1.783  -8.934   1.611
   82    HA   THR  11           HA       THR  11   1.779  -8.798   4.395
   83    HB   THR  11           HB       THR  11   3.091  -7.231   3.119
   84    HG1  THR  11           HG1      THR  11   2.048  -6.577   5.197
   85   HG21  THR  11          3HG2      THR  11   2.131  -5.491   1.753
   86   HG22  THR  11          1HG2      THR  11   0.498  -5.998   2.182
   87   HG23  THR  11          2HG2      THR  11   1.518  -7.048   1.198
   88    H    ARG  12           H        ARG  12  -0.690  -7.834   2.057
   89    HA   ARG  12           HA       ARG  12  -2.423  -6.560   3.877
   90    HB2  ARG  12           2HB      ARG  12  -3.243  -8.018   1.364
   91    HB3  ARG  12           3HB      ARG  12  -4.087  -6.693   2.154
   92    HG2  ARG  12           2HG      ARG  12  -2.163  -5.221   1.634
   93    HG3  ARG  12           3HG      ARG  12  -1.439  -6.554   0.732
   94    HD2  ARG  12           2HD      ARG  12  -2.574  -5.095  -0.806
   95    HD3  ARG  12           3HD      ARG  12  -3.457  -6.618  -0.703
   96    HE   ARG  12           HE       ARG  12  -4.424  -4.562   1.069
   97   HH11  ARG  12          1HH1      ARG  12  -4.639  -5.967  -2.109
   98   HH12  ARG  12          2HH1      ARG  12  -6.238  -5.372  -2.407
   99   HH21  ARG  12          1HH2      ARG  12  -6.530  -3.772   0.689
  100   HH22  ARG  12          2HH2      ARG  12  -7.313  -4.122  -0.815
  101    H    SER  13           H        SER  13  -2.421  -9.879   2.592
  102    HA   SER  13           HA       SER  13  -4.663 -10.809   3.968
  103    HB2  SER  13           2HB      SER  13  -3.714 -12.112   2.173
  104    HB3  SER  13           3HB      SER  13  -2.190 -12.287   3.043
  105    HG   SER  13           HG       SER  13  -4.505 -13.714   3.275
  106    H    GLN  14           H        GLN  14  -1.234 -10.907   4.895
  107    HA   GLN  14           HA       GLN  14  -1.629 -12.213   7.364
  108    HB2  GLN  14           2HB      GLN  14   0.555 -12.013   6.165
  109    HB3  GLN  14           3HB      GLN  14   0.607 -10.318   6.631
  110    HG2  GLN  14           2HG      GLN  14   0.460 -11.102   9.025
  111    HG3  GLN  14           3HG      GLN  14   0.740 -12.731   8.412
  112   HE21  GLN  14          1HE2      GLN  14   2.765 -13.377   8.205
  113   HE22  GLN  14          2HE2      GLN  14   4.159 -12.356   8.218
  114    H    LYS  15           H        LYS  15  -1.266  -8.773   6.551
  115    HA   LYS  15           HA       LYS  15  -1.408  -7.730   9.127
  116    HB2  LYS  15           2HB      LYS  15  -2.185  -6.628   6.440
  117    HB3  LYS  15           3HB      LYS  15  -2.415  -5.685   7.906
  118    HG2  LYS  15           2HG      LYS  15   0.245  -6.872   7.192
  119    HG3  LYS  15           3HG      LYS  15  -0.279  -5.302   6.576
  120    HD2  LYS  15           2HD      LYS  15  -0.716  -4.679   9.009
  121    HD3  LYS  15           3HD      LYS  15   0.200  -6.128   9.428
  122    HE2  LYS  15           2HE      LYS  15   1.788  -4.416   9.477
  123    HE3  LYS  15           3HE      LYS  15   2.029  -5.178   7.906
  124    HZ1  LYS  15           3HZ      LYS  15   2.040  -2.809   7.652
  125    HZ2  LYS  15           1HZ      LYS  15   0.550  -2.660   8.439
  126    HZ3  LYS  15           2HZ      LYS  15   0.637  -3.417   6.929
  127    H    GLU  16           H        GLU  16  -4.020  -8.462   6.840
  128    HA   GLU  16           HA       GLU  16  -6.177  -7.452   8.235
  129    HB2  GLU  16           2HB      GLU  16  -5.980  -8.725   5.923
  130    HB3  GLU  16           3HB      GLU  16  -6.464 -10.106   6.898
  131    HG2  GLU  16           2HG      GLU  16  -8.342  -8.444   7.704
  132    HG3  GLU  16           3HG      GLU  16  -7.994  -7.672   6.158
  133    H    GLY  17           H        GLY  17  -6.779  -7.782  10.266
  134    HA2  GLY  17           2HA      GLY  17  -6.840 -10.531  11.289
  135    HA3  GLY  17           3HA      GLY  17  -5.962  -9.320  12.212
  136    H    LEU  18           H        LEU  18  -7.268  -9.402  14.014
  137    HA   LEU  18           HA       LEU  18 -10.039  -9.445  14.088
  138    HB2  LEU  18           2HB      LEU  18  -8.243  -9.607  15.972
  139    HB3  LEU  18           3HB      LEU  18  -8.491  -7.867  16.099
  140    HG   LEU  18           HG       LEU  18 -10.725  -9.871  16.353
  141   HD11  LEU  18          1HD1      LEU  18 -10.253 -10.242  18.504
  142   HD12  LEU  18          2HD1      LEU  18  -9.807  -8.560  18.792
  143   HD13  LEU  18          3HD1      LEU  18  -8.629  -9.680  18.106
  144   HD21  LEU  18          3HD2      LEU  18 -11.518  -7.688  15.815
  145   HD22  LEU  18          1HD2      LEU  18 -10.445  -6.943  17.000
  146   HD23  LEU  18          2HD2      LEU  18 -11.794  -7.944  17.539
  Start of MODEL   10
    1    H1   VAL   1           H        VAL   1  -0.495   0.649  -0.385
    2    HA   VAL   1           HA       VAL   1  -0.271   0.959  -3.148
    3    HB   VAL   1           HB       VAL   1   1.972   0.512  -1.172
    4   HG11  VAL   1          1HG1      VAL   1   1.885   1.326  -4.031
    5   HG12  VAL   1          2HG1      VAL   1   3.085   2.080  -2.980
    6   HG13  VAL   1          3HG1      VAL   1   3.059   0.327  -3.175
    7   HG21  VAL   1          3HG2      VAL   1   0.525   2.359  -0.507
    8   HG22  VAL   1          1HG2      VAL   1   2.088   2.957  -1.064
    9   HG23  VAL   1          2HG2      VAL   1   0.675   3.070  -2.114
   10    H    PHE   2           H        PHE   2   0.746  -1.723  -1.065
   11    HA   PHE   2           HA       PHE   2   2.063  -3.252  -2.994
   12    HB2  PHE   2           2HB      PHE   2   1.005  -3.664  -0.309
   13    HB3  PHE   2           3HB      PHE   2   0.889  -5.113  -1.303
   14    HD1  PHE   2           HD1      PHE   2   3.381  -2.406  -0.658
   15    HD2  PHE   2           HD2      PHE   2   2.642  -6.570  -1.137
   16    HE1  PHE   2           HE1      PHE   2   5.761  -2.873  -0.244
   17    HE2  PHE   2           HE2      PHE   2   5.020  -7.043  -0.723
   18    HZ   PHE   2           HZ       PHE   2   6.584  -5.194  -0.275
   19    H    ALA   3           H        ALA   3  -1.352  -3.097  -2.117
   20    HA   ALA   3           HA       ALA   3  -2.318  -5.266  -3.555
   21    HB1  ALA   3           1HB      ALA   3  -3.465  -3.409  -1.999
   22    HB2  ALA   3           2HB      ALA   3  -3.986  -2.828  -3.582
   23    HB3  ALA   3           3HB      ALA   3  -4.379  -4.470  -3.072
   24    H    SER   4           H        SER   4  -1.937  -1.894  -4.637
   25    HA   SER   4           HA       SER   4  -2.846  -2.338  -7.271
   26    HB2  SER   4           2HB      SER   4  -2.635  -0.100  -6.118
   27    HB3  SER   4           3HB      SER   4  -0.896  -0.198  -6.396
   28    HG   SER   4           HG       SER   4  -1.323   0.600  -8.283
   29    H    LEU   5           H        LEU   5   0.365  -2.430  -5.808
   30    HA   LEU   5           HA       LEU   5   1.892  -2.654  -8.134
   31    HB2  LEU   5           2HB      LEU   5   2.272  -3.515  -5.302
   32    HB3  LEU   5           3HB      LEU   5   3.430  -4.029  -6.527
   33    HG   LEU   5           HG       LEU   5   2.759  -1.156  -5.896
   34   HD11  LEU   5          1HD1      LEU   5   4.358  -1.113  -4.336
   35   HD12  LEU   5          2HD1      LEU   5   5.436  -2.145  -5.276
   36   HD13  LEU   5          3HD1      LEU   5   4.164  -2.866  -4.290
   37   HD21  LEU   5          3HD2      LEU   5   4.915  -2.394  -7.604
   38   HD22  LEU   5          1HD2      LEU   5   4.760  -0.678  -7.231
   39   HD23  LEU   5          2HD2      LEU   5   3.516  -1.489  -8.182
   40    HA   PRO   6           HA       PRO   6   1.213  -6.687  -9.722
   41    HB2  PRO   6           2HB      PRO   6   3.710  -7.431 -10.487
   42    HB3  PRO   6           3HB      PRO   6   2.768  -6.204 -11.343
   43    HG2  PRO   6           2HG      PRO   6   4.953  -5.850  -9.327
   44    HG3  PRO   6           3HG      PRO   6   4.678  -4.974 -10.844
   45    HD2  PRO   6           2HD      PRO   6   3.986  -3.960  -8.430
   46    HD3  PRO   6           3HD      PRO   6   3.072  -3.609  -9.911
   47    H    GLY   7           H        GLY   7   3.147  -6.213  -6.963
   48    HA2  GLY   7           2HA      GLY   7   4.026  -8.870  -6.499
   49    HA3  GLY   7           3HA      GLY   7   3.884  -7.604  -5.288
   50    H    ILE   8           H        ILE   8   2.917  -8.688  -3.654
   51    HA   ILE   8           HA       ILE   8   0.318  -9.947  -4.247
   52    HB   ILE   8           HB       ILE   8   0.653 -11.345  -2.245
   53   HG12  ILE   8          2HG1      ILE   8   2.387  -9.583  -1.335
   54   HG13  ILE   8          3HG1      ILE   8   2.543 -11.286  -0.917
   55   HG21  ILE   8          1HG2      ILE   8   2.666 -11.471  -4.466
   56   HG22  ILE   8          2HG2      ILE   8   2.593 -12.707  -3.211
   57   HG23  ILE   8          3HG2      ILE   8   1.197 -12.422  -4.250
   58   HD11  ILE   8          3HD1      ILE   8   3.952 -10.310  -3.337
   59   HD12  ILE   8          1HD1      ILE   8   4.592  -9.863  -1.755
   60   HD13  ILE   8          2HD1      ILE   8   4.409 -11.564  -2.185
   61    H    ILE   9           H        ILE   9  -0.926 -10.139  -1.980
   62    HA   ILE   9           HA       ILE   9  -0.935  -7.427  -0.823
   63    HB   ILE   9           HB       ILE   9  -3.347  -7.679  -0.455
   64   HG12  ILE   9          2HG1      ILE   9  -4.210  -9.685  -2.099
   65   HG13  ILE   9          3HG1      ILE   9  -2.766 -10.407  -1.398
   66   HG21  ILE   9          1HG2      ILE   9  -3.621  -6.679  -2.416
   67   HG22  ILE   9          2HG2      ILE   9  -2.035  -7.270  -2.908
   68   HG23  ILE   9          3HG2      ILE   9  -3.478  -8.220  -3.260
   69   HD11  ILE   9          3HD1      ILE   9  -4.814  -9.111   0.347
   70   HD12  ILE   9          1HD1      ILE   9  -5.037 -10.758  -0.242
   71   HD13  ILE   9          2HD1      ILE   9  -3.631 -10.357   0.745
   72    H    PHE  10           H        PHE  10   0.408  -9.987   0.032
   73    HA   PHE  10           HA       PHE  10  -0.869 -11.086   2.264
   74    HB2  PHE  10           2HB      PHE  10   1.914 -10.978   1.247
   75    HB3  PHE  10           3HB      PHE  10   1.721 -11.358   2.955
   76    HD1  PHE  10           HD2      PHE  10  -0.078 -12.304  -0.178
   77    HD2  PHE  10           HD1      PHE  10   1.874 -13.599   3.375
   78    HE1  PHE  10           HE2      PHE  10  -0.578 -14.642  -0.760
   79    HE2  PHE  10           HE1      PHE  10   1.378 -15.939   2.799
   80    HZ   PHE  10           HZ       PHE  10   0.150 -16.463   0.730
   81    H    THR  11           H        THR  11   1.395  -8.366   2.021
   82    HA   THR  11           HA       THR  11   1.664  -7.797   4.732
   83    HB   THR  11           HB       THR  11   3.098  -6.709   3.131
   84    HG1  THR  11           HG1      THR  11   3.093  -5.285   4.713
   85   HG21  THR  11          3HG2      THR  11   0.677  -5.188   2.161
   86   HG22  THR  11          1HG2      THR  11   1.404  -6.550   1.310
   87   HG23  THR  11          2HG2      THR  11   2.326  -5.066   1.547
   88    H    ARG  12           H        ARG  12  -0.813  -6.774   2.429
   89    HA   ARG  12           HA       ARG  12  -2.130  -4.908   4.042
   90    HB2  ARG  12           2HB      ARG  12  -3.075  -6.675   1.795
   91    HB3  ARG  12           3HB      ARG  12  -4.158  -5.552   2.607
   92    HG2  ARG  12           2HG      ARG  12  -2.187  -3.859   2.044
   93    HG3  ARG  12           3HG      ARG  12  -1.919  -5.025   0.747
   94    HD2  ARG  12           2HD      ARG  12  -4.550  -3.680   1.348
   95    HD3  ARG  12           3HD      ARG  12  -3.419  -3.167   0.097
   96    HE   ARG  12           HE       ARG  12  -3.858  -5.746  -0.534
   97   HH11  ARG  12          1HH1      ARG  12  -6.002  -3.096   0.176
   98   HH12  ARG  12          2HH1      ARG  12  -7.275  -3.683  -0.842
   99   HH21  ARG  12          1HH2      ARG  12  -5.527  -6.529  -1.878
  100   HH22  ARG  12          2HH2      ARG  12  -7.005  -5.636  -2.009
  101    H    SER  13           H        SER  13  -2.774  -8.380   3.597
  102    HA   SER  13           HA       SER  13  -4.931  -8.550   5.381
  103    HB2  SER  13           2HB      SER  13  -4.068 -10.282   3.658
  104    HB3  SER  13           3HB      SER  13  -3.000 -10.819   4.954
  105    HG   SER  13           HG       SER  13  -4.634 -11.782   5.842
  106    H    GLN  14           H        GLN  14  -1.459  -9.087   5.886
  107    HA   GLN  14           HA       GLN  14  -1.554  -9.910   8.545
  108    HB2  GLN  14           2HB      GLN  14   0.518  -8.570   6.855
  109    HB3  GLN  14           3HB      GLN  14   0.799  -8.733   8.583
  110    HG2  GLN  14           2HG      GLN  14   0.880 -11.044   8.486
  111    HG3  GLN  14           3HG      GLN  14   0.014 -11.108   6.952
  112   HE21  GLN  14          1HE2      GLN  14   2.265 -12.563   7.229
  113   HE22  GLN  14          2HE2      GLN  14   3.548 -11.881   6.295
  114    H    LYS  15           H        LYS  15  -1.321  -6.640   7.193
  115    HA   LYS  15           HA       LYS  15  -1.069  -5.252   9.613
  116    HB2  LYS  15           2HB      LYS  15  -0.738  -4.336   7.278
  117    HB3  LYS  15           3HB      LYS  15  -2.489  -4.235   7.150
  118    HG2  LYS  15           2HG      LYS  15  -1.555  -2.085   7.741
  119    HG3  LYS  15           3HG      LYS  15  -2.538  -2.712   9.066
  120    HD2  LYS  15           2HD      LYS  15  -0.705  -3.125  10.405
  121    HD3  LYS  15           3HD      LYS  15   0.398  -3.257   9.034
  122    HE2  LYS  15           2HE      LYS  15   0.368  -0.887   8.700
  123    HE3  LYS  15           3HE      LYS  15  -0.918  -0.685   9.889
  124    HZ1  LYS  15           3HZ      LYS  15   1.834  -1.641  10.471
  125    HZ2  LYS  15           1HZ      LYS  15   0.600  -1.432  11.610
  126    HZ3  LYS  15           2HZ      LYS  15   1.239  -0.092  10.801
  127    H    GLU  16           H        GLU  16  -3.952  -6.184   7.770
  128    HA   GLU  16           HA       GLU  16  -5.900  -4.895   9.245
  129    HB2  GLU  16           2HB      GLU  16  -6.011  -6.484   7.128
  130    HB3  GLU  16           3HB      GLU  16  -6.422  -7.690   8.339
  131    HG2  GLU  16           2HG      GLU  16  -7.879  -5.085   8.255
  132    HG3  GLU  16           3HG      GLU  16  -8.303  -6.384   7.141
  133    H    GLY  17           H        GLY  17  -4.790  -8.257   9.726
  134    HA2  GLY  17           2HA      GLY  17  -4.372  -8.309  12.393
  135    HA3  GLY  17           3HA      GLY  17  -6.125  -8.391  12.290
  136    H    LEU  18           H        LEU  18  -7.103 -10.281  11.708
  137    HA   LEU  18           HA       LEU  18  -5.559 -12.667  11.954
  138    HB2  LEU  18           2HB      LEU  18  -8.073 -12.124  12.542
  139    HB3  LEU  18           3HB      LEU  18  -8.343 -12.707  10.900
  140    HG   LEU  18           HG       LEU  18  -8.729 -14.495  12.464
  141   HD11  LEU  18          1HD1      LEU  18  -7.451 -16.155  11.447
  142   HD12  LEU  18          2HD1      LEU  18  -6.051 -15.099  11.262
  143   HD13  LEU  18          3HD1      LEU  18  -7.477 -14.857  10.253
  144   HD21  LEU  18          3HD2      LEU  18  -6.988 -13.367  14.110
  145   HD22  LEU  18          1HD2      LEU  18  -5.902 -14.544  13.371
  146   HD23  LEU  18          2HD2      LEU  18  -7.365 -15.088  14.191
  Start of MODEL   11
    1    H1   VAL   1           H        VAL   1   1.058   0.371   0.255
    2    HA   VAL   1           HA       VAL   1   1.599   1.007  -2.418
    3    HB   VAL   1           HB       VAL   1   3.443  -0.414  -0.493
    4   HG11  VAL   1          1HG1      VAL   1   4.402  -0.525  -2.638
    5   HG12  VAL   1          2HG1      VAL   1   3.900   1.119  -3.037
    6   HG13  VAL   1          3HG1      VAL   1   5.180   0.849  -1.853
    7   HG21  VAL   1          3HG2      VAL   1   2.804   2.504  -0.855
    8   HG22  VAL   1          1HG2      VAL   1   2.707   1.538   0.618
    9   HG23  VAL   1          2HG2      VAL   1   4.280   1.940  -0.072
   10    H    PHE   2           H        PHE   2   1.558  -2.115  -0.744
   11    HA   PHE   2           HA       PHE   2   2.483  -3.676  -2.893
   12    HB2  PHE   2           2HB      PHE   2   1.170  -4.164  -0.301
   13    HB3  PHE   2           3HB      PHE   2   0.881  -5.404  -1.517
   14    HD1  PHE   2           HD1      PHE   2   3.796  -3.350  -0.403
   15    HD2  PHE   2           HD2      PHE   2   2.271  -7.209  -1.352
   16    HE1  PHE   2           HE1      PHE   2   5.996  -4.337   0.090
   17    HE2  PHE   2           HE2      PHE   2   4.468  -8.202  -0.860
   18    HZ   PHE   2           HZ       PHE   2   6.333  -6.766  -0.137
   19    H    ALA   3           H        ALA   3  -0.787  -2.769  -1.884
   20    HA   ALA   3           HA       ALA   3  -2.189  -4.312  -3.770
   21    HB1  ALA   3           1HB      ALA   3  -3.456  -3.484  -1.990
   22    HB2  ALA   3           2HB      ALA   3  -2.886  -1.832  -2.232
   23    HB3  ALA   3           3HB      ALA   3  -4.009  -2.555  -3.384
   24    H    SER   4           H        SER   4  -0.992  -0.976  -3.897
   25    HA   SER   4           HA       SER   4  -2.089  -0.329  -6.411
   26    HB2  SER   4           2HB      SER   4   0.498   0.889  -5.539
   27    HB3  SER   4           3HB      SER   4  -0.924   1.658  -6.244
   28    HG   SER   4           HG       SER   4  -0.275   1.526  -3.702
   29    H    LEU   5           H        LEU   5   1.125  -1.528  -5.487
   30    HA   LEU   5           HA       LEU   5   2.081  -1.644  -8.177
   31    HB2  LEU   5           2HB      LEU   5   3.139  -1.988  -5.563
   32    HB3  LEU   5           3HB      LEU   5   3.529  -3.427  -6.503
   33    HG   LEU   5           HG       LEU   5   4.143  -1.191  -8.119
   34   HD11  LEU   5          1HD1      LEU   5   4.109  -0.089  -5.764
   35   HD12  LEU   5          2HD1      LEU   5   5.460   0.218  -6.856
   36   HD13  LEU   5          3HD1      LEU   5   5.635  -0.947  -5.543
   37   HD21  LEU   5          3HD2      LEU   5   6.536  -2.160  -7.262
   38   HD22  LEU   5          1HD2      LEU   5   5.564  -2.871  -8.551
   39   HD23  LEU   5          2HD2      LEU   5   5.461  -3.515  -6.912
   40    HA   PRO   6           HA       PRO   6   0.484  -5.514  -9.508
   41    HB2  PRO   6           2HB      PRO   6   2.473  -6.330 -11.165
   42    HB3  PRO   6           3HB      PRO   6   1.361  -5.018 -11.573
   43    HG2  PRO   6           2HG      PRO   6   4.151  -4.871 -10.498
   44    HG3  PRO   6           3HG      PRO   6   3.393  -3.906 -11.777
   45    HD2  PRO   6           2HD      PRO   6   3.701  -2.988  -9.249
   46    HD3  PRO   6           3HD      PRO   6   2.330  -2.518 -10.275
   47    H    GLY   7           H        GLY   7   1.053  -6.092  -7.079
   48    HA2  GLY   7           2HA      GLY   7   2.870  -8.417  -7.200
   49    HA3  GLY   7           3HA      GLY   7   2.850  -7.340  -5.812
   50    H    ILE   8           H        ILE   8   2.222  -8.831  -4.300
   51    HA   ILE   8           HA       ILE   8  -0.324 -10.225  -4.749
   52    HB   ILE   8           HB       ILE   8   0.287 -11.606  -2.799
   53   HG12  ILE   8          2HG1      ILE   8   2.878 -10.044  -2.893
   54   HG13  ILE   8          3HG1      ILE   8   1.671  -9.961  -1.615
   55   HG21  ILE   8          1HG2      ILE   8   2.396 -11.482  -4.950
   56   HG22  ILE   8          2HG2      ILE   8   2.100 -12.851  -3.881
   57   HG23  ILE   8          3HG2      ILE   8   0.867 -12.355  -5.039
   58   HD11  ILE   8          3HD1      ILE   8   3.615 -12.122  -2.249
   59   HD12  ILE   8          1HD1      ILE   8   3.225 -11.372  -0.701
   60   HD13  ILE   8          2HD1      ILE   8   2.104 -12.522  -1.432
   61    H    ILE   9           H        ILE   9  -1.354 -10.646  -2.371
   62    HA   ILE   9           HA       ILE   9  -1.675  -7.979  -1.157
   63    HB   ILE   9           HB       ILE   9  -4.031  -8.959  -0.550
   64   HG12  ILE   9          2HG1      ILE   9  -4.935 -10.391  -2.341
   65   HG13  ILE   9          3HG1      ILE   9  -3.338 -10.476  -3.077
   66   HG21  ILE   9          1HG2      ILE   9  -3.162  -7.095  -2.278
   67   HG22  ILE   9          2HG2      ILE   9  -3.937  -8.212  -3.401
   68   HG23  ILE   9          3HG2      ILE   9  -4.863  -7.513  -2.073
   69   HD11  ILE   9          3HD1      ILE   9  -2.483 -11.636  -1.128
   70   HD12  ILE   9          1HD1      ILE   9  -4.058 -11.512  -0.345
   71   HD13  ILE   9          2HD1      ILE   9  -3.872 -12.486  -1.804
   72    H    PHE  10           H        PHE  10  -0.006 -10.412  -0.463
   73    HA   PHE  10           HA       PHE  10  -0.985 -11.747   1.762
   74    HB2  PHE  10           2HB      PHE  10   1.675 -11.176   0.636
   75    HB3  PHE  10           3HB      PHE  10   1.667 -11.508   2.364
   76    HD1  PHE  10           HD1      PHE  10  -0.437 -12.930  -0.352
   77    HD2  PHE  10           HD2      PHE  10   2.550 -13.632   2.598
   78    HE1  PHE  10           HE1      PHE  10  -0.545 -15.343  -0.821
   79    HE2  PHE  10           HE2      PHE  10   2.447 -16.046   2.134
   80    HZ   PHE  10           HZ       PHE  10   0.899 -16.904   0.422
   81    H    THR  11           H        THR  11   0.892  -8.727   1.652
   82    HA   THR  11           HA       THR  11   1.022  -8.240   4.388
   83    HB   THR  11           HB       THR  11   2.352  -6.923   2.872
   84    HG1  THR  11           HG1      THR  11   1.663  -4.763   3.637
   85   HG21  THR  11          3HG2      THR  11  -0.211  -5.669   1.888
   86   HG22  THR  11          1HG2      THR  11   0.700  -6.896   1.008
   87   HG23  THR  11          2HG2      THR  11   1.425  -5.320   1.330
   88    H    ARG  12           H        ARG  12  -1.503  -7.429   2.054
   89    HA   ARG  12           HA       ARG  12  -3.078  -5.784   3.659
   90    HB2  ARG  12           2HB      ARG  12  -4.052  -7.748   1.577
   91    HB3  ARG  12           3HB      ARG  12  -4.917  -6.334   2.163
   92    HG2  ARG  12           2HG      ARG  12  -2.308  -6.272   0.661
   93    HG3  ARG  12           3HG      ARG  12  -3.901  -5.974  -0.039
   94    HD2  ARG  12           2HD      ARG  12  -2.631  -4.369   2.177
   95    HD3  ARG  12           3HD      ARG  12  -2.702  -3.890   0.482
   96    HE   ARG  12           HE       ARG  12  -5.306  -4.410   1.345
   97   HH11  ARG  12          1HH1      ARG  12  -2.733  -2.141   1.938
   98   HH12  ARG  12          2HH1      ARG  12  -3.800  -0.844   2.364
   99   HH21  ARG  12          1HH2      ARG  12  -6.720  -2.710   1.904
  100   HH22  ARG  12          2HH2      ARG  12  -6.068  -1.169   2.345
  101    H    SER  13           H        SER  13  -3.102  -9.312   3.309
  102    HA   SER  13           HA       SER  13  -5.314  -9.881   4.899
  103    HB2  SER  13           2HB      SER  13  -4.377 -11.650   3.611
  104    HB3  SER  13           3HB      SER  13  -2.791 -11.450   4.357
  105    HG   SER  13           HG       SER  13  -5.043 -12.763   5.290
  106    H    GLN  14           H        GLN  14  -1.940  -9.352   5.803
  107    HA   GLN  14           HA       GLN  14  -2.108 -10.073   8.495
  108    HB2  GLN  14           2HB      GLN  14  -0.041  -9.471   7.073
  109    HB3  GLN  14           3HB      GLN  14  -0.387  -7.807   7.522
  110    HG2  GLN  14           2HG      GLN  14  -0.088  -9.950   9.591
  111    HG3  GLN  14           3HG      GLN  14   1.309  -9.114   8.917
  112   HE21  GLN  14          1HE2      GLN  14  -0.057  -9.173  11.621
  113   HE22  GLN  14          2HE2      GLN  14  -0.242  -7.505  12.032
  114    H    LYS  15           H        LYS  15  -2.658  -6.938   6.930
  115    HA   LYS  15           HA       LYS  15  -3.100  -5.418   9.230
  116    HB2  LYS  15           2HB      LYS  15  -3.900  -5.176   6.365
  117    HB3  LYS  15           3HB      LYS  15  -4.670  -4.115   7.537
  118    HG2  LYS  15           2HG      LYS  15  -2.866  -2.879   6.747
  119    HG3  LYS  15           3HG      LYS  15  -2.297  -3.526   8.288
  120    HD2  LYS  15           2HD      LYS  15  -1.097  -5.292   7.134
  121    HD3  LYS  15           3HD      LYS  15  -1.723  -4.733   5.581
  122    HE2  LYS  15           2HE      LYS  15   0.484  -3.890   5.766
  123    HE3  LYS  15           3HE      LYS  15  -0.600  -2.529   6.049
  124    HZ1  LYS  15           3HZ      LYS  15   0.844  -2.270   7.771
  125    HZ2  LYS  15           1HZ      LYS  15   1.159  -3.926   7.927
  126    HZ3  LYS  15           2HZ      LYS  15  -0.285  -3.279   8.525
  127    H    GLU  16           H        GLU  16  -5.367  -7.301   7.259
  128    HA   GLU  16           HA       GLU  16  -7.640  -6.599   8.855
  129    HB2  GLU  16           2HB      GLU  16  -7.125  -8.498   6.603
  130    HB3  GLU  16           3HB      GLU  16  -8.592  -8.679   7.554
  131    HG2  GLU  16           2HG      GLU  16  -9.012  -6.215   7.075
  132    HG3  GLU  16           3HG      GLU  16  -7.745  -6.358   5.858
  133    H    GLY  17           H        GLY  17  -7.540  -7.198  10.951
  134    HA2  GLY  17           2HA      GLY  17  -8.152  -8.916  12.508
  135    HA3  GLY  17           3HA      GLY  17  -7.333 -10.085  11.482
  136    H    LEU  18           H        LEU  18  -6.058 -10.909  13.129
  137    HA   LEU  18           HA       LEU  18  -4.578  -9.441  14.977
  138    HB2  LEU  18           2HB      LEU  18  -3.472 -11.415  15.492
  139    HB3  LEU  18           3HB      LEU  18  -5.026 -11.959  14.864
  140    HG   LEU  18           HG       LEU  18  -2.459 -11.915  13.280
  141   HD11  LEU  18          1HD1      LEU  18  -2.084 -13.563  14.874
  142   HD12  LEU  18          2HD1      LEU  18  -2.776 -14.457  13.521
  143   HD13  LEU  18          3HD1      LEU  18  -3.779 -14.050  14.913
  144   HD21  LEU  18          3HD2      LEU  18  -3.997 -13.628  11.978
  145   HD22  LEU  18          1HD2      LEU  18  -4.061 -11.894  11.656
  146   HD23  LEU  18          2HD2      LEU  18  -5.278 -12.645  12.689
  Start of MODEL   12
    1    H1   VAL   1           H        VAL   1   1.104   0.742  -0.095
    2    HA   VAL   1           HA       VAL   1   1.019   1.142  -2.863
    3    HB   VAL   1           HB       VAL   1   3.311  -0.067  -1.312
    4   HG11  VAL   1          1HG1      VAL   1   2.956   0.863  -4.060
    5   HG12  VAL   1          2HG1      VAL   1   4.358   1.559  -3.245
    6   HG13  VAL   1          3HG1      VAL   1   4.188  -0.192  -3.368
    7   HG21  VAL   1          3HG2      VAL   1   2.418   2.783  -1.634
    8   HG22  VAL   1          1HG2      VAL   1   2.793   1.906  -0.151
    9   HG23  VAL   1          2HG2      VAL   1   4.089   2.365  -1.256
   10    H    PHE   2           H        PHE   2   1.677  -1.819  -1.006
   11    HA   PHE   2           HA       PHE   2   2.138  -3.541  -3.138
   12    HB2  PHE   2           2HB      PHE   2   1.407  -3.817  -0.306
   13    HB3  PHE   2           3HB      PHE   2   0.885  -5.162  -1.316
   14    HD1  PHE   2           HD1      PHE   2   3.921  -3.031  -0.880
   15    HD2  PHE   2           HD2      PHE   2   2.324  -6.932  -1.469
   16    HE1  PHE   2           HE1      PHE   2   6.193  -3.970  -0.794
   17    HE2  PHE   2           HE2      PHE   2   4.594  -7.878  -1.383
   18    HZ   PHE   2           HZ       PHE   2   6.532  -6.397  -1.044
   19    H    ALA   3           H        ALA   3  -0.908  -2.587  -1.620
   20    HA   ALA   3           HA       ALA   3  -2.594  -4.349  -3.014
   21    HB1  ALA   3           1HB      ALA   3  -3.803  -3.445  -1.347
   22    HB2  ALA   3           2HB      ALA   3  -2.927  -1.915  -1.399
   23    HB3  ALA   3           3HB      ALA   3  -4.216  -2.233  -2.560
   24    H    SER   4           H        SER   4  -1.700  -0.974  -3.709
   25    HA   SER   4           HA       SER   4  -3.207  -0.744  -6.077
   26    HB2  SER   4           2HB      SER   4  -0.701   0.740  -5.248
   27    HB3  SER   4           3HB      SER   4  -1.786   1.223  -6.551
   28    HG   SER   4           HG       SER   4  -3.381   1.618  -5.068
   29    H    LEU   5           H        LEU   5   0.233  -1.487  -5.565
   30    HA   LEU   5           HA       LEU   5   0.786  -1.878  -8.331
   31    HB2  LEU   5           2HB      LEU   5   2.245  -1.789  -5.904
   32    HB3  LEU   5           3HB      LEU   5   2.628  -3.313  -6.700
   33    HG   LEU   5           HG       LEU   5   2.784  -1.276  -8.660
   34   HD11  LEU   5          1HD1      LEU   5   3.003   0.380  -6.942
   35   HD12  LEU   5          2HD1      LEU   5   4.590   0.106  -7.659
   36   HD13  LEU   5          3HD1      LEU   5   4.200  -0.595  -6.089
   37   HD21  LEU   5          3HD2      LEU   5   5.354  -1.962  -8.099
   38   HD22  LEU   5          1HD2      LEU   5   4.260  -2.902  -9.114
   39   HD23  LEU   5          2HD2      LEU   5   4.470  -3.327  -7.415
   40    HA   PRO   6           HA       PRO   6  -0.601  -5.998  -8.964
   41    HB2  PRO   6           2HB      PRO   6   1.173  -6.829 -10.844
   42    HB3  PRO   6           3HB      PRO   6  -0.123  -5.677 -11.188
   43    HG2  PRO   6           2HG      PRO   6   2.772  -5.160 -10.626
   44    HG3  PRO   6           3HG      PRO   6   1.721  -4.423 -11.849
   45    HD2  PRO   6           2HD      PRO   6   2.331  -3.188  -9.518
   46    HD3  PRO   6           3HD      PRO   6   0.772  -2.965 -10.337
   47    H    GLY   7           H        GLY   7   0.373  -6.268  -6.629
   48    HA2  GLY   7           2HA      GLY   7   2.416  -8.392  -6.817
   49    HA3  GLY   7           3HA      GLY   7   2.463  -7.183  -5.543
   50    H    ILE   8           H        ILE   8   2.476  -9.203  -4.220
   51    HA   ILE   8           HA       ILE   8   0.035 -10.709  -4.044
   52    HB   ILE   8           HB       ILE   8   1.053 -11.871  -2.196
   53   HG12  ILE   8          2HG1      ILE   8   3.212  -9.755  -2.325
   54   HG13  ILE   8          3HG1      ILE   8   2.028  -9.945  -1.037
   55   HG21  ILE   8          1HG2      ILE   8   3.215 -11.342  -4.223
   56   HG22  ILE   8          2HG2      ILE   8   2.947 -12.813  -3.290
   57   HG23  ILE   8          3HG2      ILE   8   1.798 -12.342  -4.542
   58   HD11  ILE   8          3HD1      ILE   8   3.698 -11.054  -0.038
   59   HD12  ILE   8          1HD1      ILE   8   3.137 -12.396  -1.035
   60   HD13  ILE   8          2HD1      ILE   8   4.509 -11.421  -1.560
   61    H    ILE   9           H        ILE   9  -0.821 -11.017  -1.662
   62    HA   ILE   9           HA       ILE   9  -1.295  -8.333  -0.539
   63    HB   ILE   9           HB       ILE   9  -3.524  -9.473   0.246
   64   HG12  ILE   9          2HG1      ILE   9  -4.405 -11.050  -1.430
   65   HG13  ILE   9          3HG1      ILE   9  -2.851 -11.038  -2.256
   66   HG21  ILE   9          1HG2      ILE   9  -4.269  -8.902  -2.334
   67   HG22  ILE   9          2HG2      ILE   9  -4.093  -7.730  -1.029
   68   HG23  ILE   9          3HG2      ILE   9  -2.762  -8.005  -2.153
   69   HD11  ILE   9          3HD1      ILE   9  -3.142 -13.027  -0.879
   70   HD12  ILE   9          1HD1      ILE   9  -1.794 -12.039  -0.317
   71   HD13  ILE   9          2HD1      ILE   9  -3.331 -12.011   0.550
   72    H    PHE  10           H        PHE  10   0.606 -10.590   0.151
   73    HA   PHE  10           HA       PHE  10  -0.147 -11.885   2.494
   74    HB2  PHE  10           2HB      PHE  10   2.057 -11.970   0.992
   75    HB3  PHE  10           3HB      PHE  10   2.660 -10.916   2.267
   76    HD1  PHE  10           HD1      PHE  10   0.593 -14.022   2.076
   77    HD2  PHE  10           HD2      PHE  10   3.866 -11.989   3.883
   78    HE1  PHE  10           HE1      PHE  10   1.031 -15.990   3.486
   79    HE2  PHE  10           HE2      PHE  10   4.311 -13.954   5.295
   80    HZ   PHE  10           HZ       PHE  10   2.893 -15.958   5.098
   81    H    THR  11           H        THR  11   1.525  -8.768   2.114
   82    HA   THR  11           HA       THR  11   1.743  -8.157   4.840
   83    HB   THR  11           HB       THR  11   3.021  -6.915   3.202
   84    HG1  THR  11           HG1      THR  11   2.911  -5.161   4.398
   85   HG21  THR  11          3HG2      THR  11   2.100  -5.504   1.561
   86   HG22  THR  11          1HG2      THR  11   0.501  -5.543   2.302
   87   HG23  THR  11          2HG2      THR  11   1.128  -6.973   1.481
   88    H    ARG  12           H        ARG  12  -0.834  -7.516   2.510
   89    HA   ARG  12           HA       ARG  12  -2.409  -5.795   4.018
   90    HB2  ARG  12           2HB      ARG  12  -2.921  -7.720   1.809
   91    HB3  ARG  12           3HB      ARG  12  -4.316  -7.119   2.696
   92    HG2  ARG  12           2HG      ARG  12  -4.121  -5.645   0.918
   93    HG3  ARG  12           3HG      ARG  12  -3.341  -4.787   2.249
   94    HD2  ARG  12           2HD      ARG  12  -1.189  -5.975   1.324
   95    HD3  ARG  12           3HD      ARG  12  -2.137  -6.066  -0.160
   96    HE   ARG  12           HE       ARG  12  -1.739  -3.846  -0.465
   97   HH11  ARG  12          1HH1      ARG  12  -1.354  -4.577   2.917
   98   HH12  ARG  12          2HH1      ARG  12  -0.830  -2.980   3.336
   99   HH21  ARG  12          1HH2      ARG  12  -1.050  -1.740   0.074
  100   HH22  ARG  12          2HH2      ARG  12  -0.658  -1.367   1.719
  101    H    SER  13           H        SER  13  -2.339  -9.337   3.985
  102    HA   SER  13           HA       SER  13  -4.495  -9.725   5.762
  103    HB2  SER  13           2HB      SER  13  -3.237 -11.423   4.222
  104    HB3  SER  13           3HB      SER  13  -2.187 -11.640   5.622
  105    HG   SER  13           HG       SER  13  -3.721 -13.069   6.046
  106    H    GLN  14           H        GLN  14  -1.001  -9.470   6.293
  107    HA   GLN  14           HA       GLN  14  -1.028 -10.001   9.053
  108    HB2  GLN  14           2HB      GLN  14   0.955  -9.814   7.359
  109    HB3  GLN  14           3HB      GLN  14   0.957  -8.120   7.829
  110    HG2  GLN  14           2HG      GLN  14   2.488  -8.988   9.287
  111    HG3  GLN  14           3HG      GLN  14   1.013  -9.080  10.249
  112   HE21  GLN  14          1HE2      GLN  14   1.460 -10.791  11.508
  113   HE22  GLN  14          2HE2      GLN  14   1.774 -12.386  10.921
  114    H    LYS  15           H        LYS  15  -1.260  -6.967   7.241
  115    HA   LYS  15           HA       LYS  15  -1.207  -5.208   9.418
  116    HB2  LYS  15           2HB      LYS  15  -1.183  -4.796   6.814
  117    HB3  LYS  15           3HB      LYS  15  -2.919  -4.621   7.037
  118    HG2  LYS  15           2HG      LYS  15  -1.103  -3.093   8.826
  119    HG3  LYS  15           3HG      LYS  15  -1.302  -2.554   7.157
  120    HD2  LYS  15           2HD      LYS  15  -3.735  -3.195   8.754
  121    HD3  LYS  15           3HD      LYS  15  -2.887  -1.680   9.073
  122    HE2  LYS  15           2HE      LYS  15  -4.373  -1.010   7.457
  123    HE3  LYS  15           3HE      LYS  15  -2.980  -1.439   6.465
  124    HZ1  LYS  15           3HZ      LYS  15  -5.341  -2.317   5.872
  125    HZ2  LYS  15           1HZ      LYS  15  -5.000  -3.489   7.043
  126    HZ3  LYS  15           2HZ      LYS  15  -3.993  -3.323   5.694
  127    H    GLU  16           H        GLU  16  -3.970  -6.715   7.762
  128    HA   GLU  16           HA       GLU  16  -5.981  -5.536   9.323
  129    HB2  GLU  16           2HB      GLU  16  -5.824  -7.984   7.609
  130    HB3  GLU  16           3HB      GLU  16  -7.242  -7.731   8.618
  131    HG2  GLU  16           2HG      GLU  16  -6.253  -5.624   6.732
  132    HG3  GLU  16           3HG      GLU  16  -7.335  -6.913   6.209
  133    H    GLY  17           H        GLY  17  -4.322  -8.664   9.662
  134    HA2  GLY  17           2HA      GLY  17  -3.777  -9.065  12.131
  135    HA3  GLY  17           3HA      GLY  17  -5.516  -8.920  12.345
  136    H    LEU  18           H        LEU  18  -6.870 -10.474  11.123
  137    HA   LEU  18           HA       LEU  18  -6.262 -13.090  11.708
  138    HB2  LEU  18           2HB      LEU  18  -7.952 -13.595   9.802
  139    HB3  LEU  18           3HB      LEU  18  -8.485 -12.749  11.254
  140    HG   LEU  18           HG       LEU  18  -8.483 -10.641  10.083
  141   HD11  LEU  18          1HD1      LEU  18  -7.353 -12.224   7.785
  142   HD12  LEU  18          2HD1      LEU  18  -6.603 -10.875   8.637
  143   HD13  LEU  18          3HD1      LEU  18  -8.022 -10.600   7.628
  144   HD21  LEU  18          3HD2      LEU  18 -10.551 -11.646   9.832
  145   HD22  LEU  18          1HD2      LEU  18  -9.917 -12.937   8.811
  146   HD23  LEU  18          2HD2      LEU  18 -10.094 -11.307   8.162
  Start of MODEL   13
    1    H1   VAL   1           H        VAL   1  -0.238  -0.540   1.999
    2    HA   VAL   1           HA       VAL   1  -0.586   0.540  -0.578
    3    HB   VAL   1           HB       VAL   1   1.970  -0.485   0.666
    4   HG11  VAL   1          1HG1      VAL   1   2.568   1.667  -0.948
    5   HG12  VAL   1          2HG1      VAL   1   2.823  -0.033  -1.347
    6   HG13  VAL   1          3HG1      VAL   1   1.354   0.787  -1.876
    7   HG21  VAL   1          3HG2      VAL   1   2.263   2.007   1.164
    8   HG22  VAL   1          1HG2      VAL   1   0.527   2.139   0.882
    9   HG23  VAL   1          2HG2      VAL   1   1.135   1.104   2.174
   10    H    PHE   2           H        PHE   2   0.719  -2.589   0.491
   11    HA   PHE   2           HA       PHE   2   1.407  -3.615  -2.000
   12    HB2  PHE   2           2HB      PHE   2   0.831  -4.731   0.669
   13    HB3  PHE   2           3HB      PHE   2   0.614  -5.855  -0.669
   14    HD1  PHE   2           HD1      PHE   2   3.079  -3.342   0.564
   15    HD2  PHE   2           HD2      PHE   2   2.426  -7.088  -1.349
   16    HE1  PHE   2           HE1      PHE   2   5.508  -3.732   0.507
   17    HE2  PHE   2           HE2      PHE   2   4.854  -7.484  -1.408
   18    HZ   PHE   2           HZ       PHE   2   6.398  -5.805  -0.479
   19    H    ALA   3           H        ALA   3  -1.696  -3.625  -0.320
   20    HA   ALA   3           HA       ALA   3  -3.128  -5.347  -1.958
   21    HB1  ALA   3           1HB      ALA   3  -4.423  -2.880  -0.880
   22    HB2  ALA   3           2HB      ALA   3  -5.040  -4.531  -0.958
   23    HB3  ALA   3           3HB      ALA   3  -3.804  -4.107   0.226
   24    H    SER   4           H        SER   4  -2.747  -1.820  -2.268
   25    HA   SER   4           HA       SER   4  -4.259  -1.581  -4.638
   26    HB2  SER   4           2HB      SER   4  -2.316   0.151  -3.174
   27    HB3  SER   4           3HB      SER   4  -2.723   0.578  -4.836
   28    HG   SER   4           HG       SER   4  -4.724   1.039  -4.249
   29    H    LEU   5           H        LEU   5  -0.816  -2.084  -4.043
   30    HA   LEU   5           HA       LEU   5  -0.093  -1.913  -6.813
   31    HB2  LEU   5           2HB      LEU   5   1.272  -2.487  -4.258
   32    HB3  LEU   5           3HB      LEU   5   1.996  -3.192  -5.702
   33    HG   LEU   5           HG       LEU   5   1.464  -0.465  -6.261
   34   HD11  LEU   5          1HD1      LEU   5   3.134  -0.739  -3.780
   35   HD12  LEU   5          2HD1      LEU   5   1.420  -0.330  -3.722
   36   HD13  LEU   5          3HD1      LEU   5   2.552   0.732  -4.560
   37   HD21  LEU   5          3HD2      LEU   5   3.236  -1.363  -7.395
   38   HD22  LEU   5          1HD2      LEU   5   3.825  -2.257  -5.994
   39   HD23  LEU   5          2HD2      LEU   5   4.094  -0.517  -6.107
   40    HA   PRO   6           HA       PRO   6  -0.753  -6.030  -8.178
   41    HB2  PRO   6           2HB      PRO   6   1.452  -6.512  -9.686
   42    HB3  PRO   6           3HB      PRO   6   0.165  -5.412 -10.192
   43    HG2  PRO   6           2HG      PRO   6   2.811  -4.784  -8.941
   44    HG3  PRO   6           3HG      PRO   6   1.989  -3.973 -10.287
   45    HD2  PRO   6           2HD      PRO   6   1.967  -2.993  -7.763
   46    HD3  PRO   6           3HD      PRO   6   0.609  -2.772  -8.885
   47    H    GLY   7           H        GLY   7   1.824  -5.297  -6.103
   48    HA2  GLY   7           2HA      GLY   7   3.323  -7.610  -5.944
   49    HA3  GLY   7           3HA      GLY   7   2.960  -6.577  -4.570
   50    H    ILE   8           H        ILE   8   3.278  -9.175  -4.046
   51    HA   ILE   8           HA       ILE   8   0.963 -10.777  -4.257
   52    HB   ILE   8           HB       ILE   8   1.970 -12.215  -2.586
   53   HG12  ILE   8          2HG1      ILE   8   3.961  -9.972  -2.181
   54   HG13  ILE   8          3HG1      ILE   8   2.732 -10.477  -1.027
   55   HG21  ILE   8          1HG2      ILE   8   4.053 -11.090  -4.454
   56   HG22  ILE   8          2HG2      ILE   8   4.095 -12.677  -3.687
   57   HG23  ILE   8          3HG2      ILE   8   2.842 -12.302  -4.870
   58   HD11  ILE   8          3HD1      ILE   8   4.168 -12.788  -1.627
   59   HD12  ILE   8          1HD1      ILE   8   5.374 -11.512  -1.458
   60   HD13  ILE   8          2HD1      ILE   8   4.239 -11.832  -0.146
   61    H    ILE   9           H        ILE   9  -0.707 -11.172  -2.841
   62    HA   ILE   9           HA       ILE   9  -1.349  -9.010  -1.029
   63    HB   ILE   9           HB       ILE   9  -3.526  -9.798  -0.996
   64   HG12  ILE   9          2HG1      ILE   9  -3.081 -12.037  -0.160
   65   HG13  ILE   9          3HG1      ILE   9  -4.165 -12.131  -1.544
   66   HG21  ILE   9          1HG2      ILE   9  -4.135 -10.312  -3.274
   67   HG22  ILE   9          2HG2      ILE   9  -2.812  -9.146  -3.269
   68   HG23  ILE   9          3HG2      ILE   9  -2.491 -10.842  -3.628
   69   HD11  ILE   9          3HD1      ILE   9  -1.208 -12.686  -1.560
   70   HD12  ILE   9          1HD1      ILE   9  -2.502 -13.882  -1.633
   71   HD13  ILE   9          2HD1      ILE   9  -2.271 -12.749  -2.966
   72    H    PHE  10           H        PHE  10   0.582 -11.557  -0.670
   73    HA   PHE  10           HA       PHE  10  -0.318 -12.857   1.658
   74    HB2  PHE  10           2HB      PHE  10   1.607 -13.489   0.038
   75    HB3  PHE  10           3HB      PHE  10   2.596 -12.440   1.048
   76    HD1  PHE  10           HD1      PHE  10   2.299 -12.919   3.661
   77    HD2  PHE  10           HD2      PHE  10   1.599 -15.722   0.536
   78    HE1  PHE  10           HE1      PHE  10   2.643 -14.768   5.247
   79    HE2  PHE  10           HE2      PHE  10   1.941 -17.576   2.117
   80    HZ   PHE  10           HZ       PHE  10   2.463 -17.100   4.476
   81    H    THR  11           H        THR  11   1.655  -9.972   1.173
   82    HA   THR  11           HA       THR  11   2.387  -9.581   3.868
   83    HB   THR  11           HB       THR  11   2.987  -7.322   3.245
   84    HG1  THR  11           HG1      THR  11   1.481  -7.847   0.881
   85   HG21  THR  11          3HG2      THR  11   4.065  -9.561   2.145
   86   HG22  THR  11          1HG2      THR  11   4.727  -7.939   1.948
   87   HG23  THR  11          2HG2      THR  11   3.685  -8.623   0.701
   88    H    ARG  12           H        ARG  12  -0.235  -8.147   1.930
   89    HA   ARG  12           HA       ARG  12  -1.337  -6.623   4.035
   90    HB2  ARG  12           2HB      ARG  12  -3.340  -6.466   2.582
   91    HB3  ARG  12           3HB      ARG  12  -1.847  -6.092   1.731
   92    HG2  ARG  12           2HG      ARG  12  -1.842  -8.377   0.800
   93    HG3  ARG  12           3HG      ARG  12  -3.392  -8.671   1.592
   94    HD2  ARG  12           2HD      ARG  12  -3.226  -6.247  -0.082
   95    HD3  ARG  12           3HD      ARG  12  -3.144  -7.785  -0.939
   96    HE   ARG  12           HE       ARG  12  -5.300  -7.631   0.956
   97   HH11  ARG  12          1HH1      ARG  12  -4.296  -6.929  -2.303
   98   HH12  ARG  12          2HH1      ARG  12  -5.907  -6.937  -2.940
   99   HH21  ARG  12          1HH2      ARG  12  -7.426  -7.643   0.130
  100   HH22  ARG  12          2HH2      ARG  12  -7.687  -7.342  -1.555
  101    H    SER  13           H        SER  13  -1.998  -9.880   2.842
  102    HA   SER  13           HA       SER  13  -4.299 -10.419   4.331
  103    HB2  SER  13           2HB      SER  13  -3.394 -11.843   2.482
  104    HB3  SER  13           3HB      SER  13  -2.144 -12.410   3.589
  105    HG   SER  13           HG       SER  13  -4.830 -13.046   3.469
  106    H    GLN  14           H        GLN  14  -0.888 -11.034   5.127
  107    HA   GLN  14           HA       GLN  14  -1.267 -12.238   7.606
  108    HB2  GLN  14           2HB      GLN  14   0.896 -11.830   6.181
  109    HB3  GLN  14           3HB      GLN  14   1.036 -10.377   7.161
  110    HG2  GLN  14           2HG      GLN  14   1.095 -11.691   9.180
  111    HG3  GLN  14           3HG      GLN  14   0.823 -13.170   8.259
  112   HE21  GLN  14          1HE2      GLN  14   3.107 -10.776   9.226
  113   HE22  GLN  14          2HE2      GLN  14   4.513 -11.549   8.584
  114    H    LYS  15           H        LYS  15  -0.956  -8.807   6.781
  115    HA   LYS  15           HA       LYS  15  -1.002  -7.825   9.423
  116    HB2  LYS  15           2HB      LYS  15  -0.260  -6.499   7.476
  117    HB3  LYS  15           3HB      LYS  15  -1.916  -6.459   6.885
  118    HG2  LYS  15           2HG      LYS  15  -1.417  -4.378   7.959
  119    HG3  LYS  15           3HG      LYS  15  -2.581  -5.265   8.946
  120    HD2  LYS  15           2HD      LYS  15  -0.938  -5.853  10.533
  121    HD3  LYS  15           3HD      LYS  15   0.381  -5.389   9.456
  122    HE2  LYS  15           2HE      LYS  15  -0.619  -3.028   9.579
  123    HE3  LYS  15           3HE      LYS  15  -1.523  -3.629  10.968
  124    HZ1  LYS  15           3HZ      LYS  15   0.736  -2.500  11.352
  125    HZ2  LYS  15           1HZ      LYS  15   1.402  -3.967  10.835
  126    HZ3  LYS  15           2HZ      LYS  15   0.396  -3.927  12.194
  127    H    GLU  16           H        GLU  16  -3.597  -8.182   7.014
  128    HA   GLU  16           HA       GLU  16  -5.865  -8.204   7.209
  129    HB2  GLU  16           2HB      GLU  16  -4.896 -10.065   8.938
  130    HB3  GLU  16           3HB      GLU  16  -5.839  -9.062  10.032
  131    HG2  GLU  16           2HG      GLU  16  -7.818  -9.391   8.675
  132    HG3  GLU  16           3HG      GLU  16  -6.886 -10.332   7.512
  133    H    GLY  17           H        GLY  17  -4.586  -5.741   7.824
  134    HA2  GLY  17           2HA      GLY  17  -6.000  -4.659  10.133
  135    HA3  GLY  17           3HA      GLY  17  -4.819  -3.813   9.144
  136    H    LEU  18           H        LEU  18  -5.918  -2.005   8.602
  137    HA   LEU  18           HA       LEU  18  -8.632  -1.770   8.077
  138    HB2  LEU  18           2HB      LEU  18  -8.131   0.338   7.055
  139    HB3  LEU  18           3HB      LEU  18  -7.078   0.111   8.450
  140    HG   LEU  18           HG       LEU  18  -6.042  -0.613   5.752
  141   HD11  LEU  18          1HD1      LEU  18  -6.325   2.202   6.788
  142   HD12  LEU  18          2HD1      LEU  18  -7.021   1.534   5.311
  143   HD13  LEU  18          3HD1      LEU  18  -5.274   1.724   5.455
  144   HD21  LEU  18          3HD2      LEU  18  -4.217  -0.885   6.985
  145   HD22  LEU  18          1HD2      LEU  18  -5.039  -0.254   8.412
  146   HD23  LEU  18          2HD2      LEU  18  -4.217   0.850   7.309
  Start of MODEL   14
    1    H1   VAL   1           H        VAL   1   1.011   0.460   0.746
    2    HA   VAL   1           HA       VAL   1   1.063   1.313  -1.926
    3    HB   VAL   1           HB       VAL   1   3.332  -0.032  -0.457
    4   HG11  VAL   1          1HG1      VAL   1   3.595   0.340  -2.907
    5   HG12  VAL   1          2HG1      VAL   1   3.399   2.070  -2.617
    6   HG13  VAL   1          3HG1      VAL   1   4.770   1.207  -1.919
    7   HG21  VAL   1          3HG2      VAL   1   3.967   2.336   0.146
    8   HG22  VAL   1          1HG2      VAL   1   2.342   2.808  -0.351
    9   HG23  VAL   1          2HG2      VAL   1   2.562   1.683   0.989
   10    H    PHE   2           H        PHE   2   1.745  -1.877  -0.512
   11    HA   PHE   2           HA       PHE   2   2.400  -3.191  -2.895
   12    HB2  PHE   2           2HB      PHE   2   1.808  -3.932  -0.150
   13    HB3  PHE   2           3HB      PHE   2   1.170  -5.113  -1.289
   14    HD1  PHE   2           HD1      PHE   2   4.290  -3.100  -0.881
   15    HD2  PHE   2           HD2      PHE   2   2.542  -6.886  -1.735
   16    HE1  PHE   2           HE1      PHE   2   6.535  -4.081  -1.112
   17    HE2  PHE   2           HE2      PHE   2   4.784  -7.873  -1.965
   18    HZ   PHE   2           HZ       PHE   2   6.784  -6.471  -1.653
   19    H    ALA   3           H        ALA   3  -0.712  -2.656  -1.319
   20    HA   ALA   3           HA       ALA   3  -2.322  -4.318  -2.848
   21    HB1  ALA   3           1HB      ALA   3  -3.838  -2.012  -2.381
   22    HB2  ALA   3           2HB      ALA   3  -3.774  -3.474  -1.396
   23    HB3  ALA   3           3HB      ALA   3  -2.702  -2.121  -1.036
   24    H    SER   4           H        SER   4  -1.478  -0.910  -3.447
   25    HA   SER   4           HA       SER   4  -2.896  -0.692  -5.877
   26    HB2  SER   4           2HB      SER   4  -0.434   0.916  -5.218
   27    HB3  SER   4           3HB      SER   4  -1.856   1.412  -6.136
   28    HG   SER   4           HG       SER   4  -2.474   2.203  -4.288
   29    H    LEU   5           H        LEU   5   0.439  -1.575  -5.130
   30    HA   LEU   5           HA       LEU   5   1.275  -1.716  -7.857
   31    HB2  LEU   5           2HB      LEU   5   2.424  -2.359  -5.214
   32    HB3  LEU   5           3HB      LEU   5   3.082  -3.247  -6.586
   33    HG   LEU   5           HG       LEU   5   3.753  -1.177  -7.648
   34   HD11  LEU   5          1HD1      LEU   5   3.525   0.966  -6.408
   35   HD12  LEU   5          2HD1      LEU   5   2.455   0.144  -5.272
   36   HD13  LEU   5          3HD1      LEU   5   1.992   0.295  -6.967
   37   HD21  LEU   5          3HD2      LEU   5   5.134  -0.304  -5.499
   38   HD22  LEU   5          1HD2      LEU   5   5.565  -1.737  -6.433
   39   HD23  LEU   5          2HD2      LEU   5   4.644  -1.904  -4.937
   40    HA   PRO   6           HA       PRO   6   0.017  -5.746  -9.054
   41    HB2  PRO   6           2HB      PRO   6   2.180  -6.661 -10.417
   42    HB3  PRO   6           3HB      PRO   6   1.113  -5.398 -11.043
   43    HG2  PRO   6           2HG      PRO   6   3.768  -5.133  -9.686
   44    HG3  PRO   6           3HG      PRO   6   3.150  -4.279 -11.111
   45    HD2  PRO   6           2HD      PRO   6   3.175  -3.166  -8.643
   46    HD3  PRO   6           3HD      PRO   6   1.923  -2.794  -9.845
   47    H    GLY   7           H        GLY   7   2.583  -5.319  -6.882
   48    HA2  GLY   7           2HA      GLY   7   3.672  -7.834  -6.532
   49    HA3  GLY   7           3HA      GLY   7   3.431  -6.675  -5.233
   50    H    ILE   8           H        ILE   8   3.289  -9.237  -4.536
   51    HA   ILE   8           HA       ILE   8   0.781 -10.490  -4.794
   52    HB   ILE   8           HB       ILE   8   1.442 -11.919  -2.968
   53   HG12  ILE   8          2HG1      ILE   8   3.657  -9.914  -2.482
   54   HG13  ILE   8          3HG1      ILE   8   2.275 -10.205  -1.431
   55   HG21  ILE   8          1HG2      ILE   8   3.245 -12.926  -3.985
   56   HG22  ILE   8          2HG2      ILE   8   2.639 -11.904  -5.287
   57   HG23  ILE   8          3HG2      ILE   8   4.037 -11.392  -4.342
   58   HD11  ILE   8          3HD1      ILE   8   3.366 -12.698  -1.661
   59   HD12  ILE   8          1HD1      ILE   8   4.788 -11.655  -1.672
   60   HD13  ILE   8          2HD1      ILE   8   3.643 -11.573  -0.332
   61    H    ILE   9           H        ILE   9  -1.067 -10.402  -3.612
   62    HA   ILE   9           HA       ILE   9  -1.436  -8.078  -1.928
   63    HB   ILE   9           HB       ILE   9  -3.719  -8.394  -2.135
   64   HG12  ILE   9          2HG1      ILE   9  -3.855 -10.639  -1.214
   65   HG13  ILE   9          3HG1      ILE   9  -4.771 -10.565  -2.715
   66   HG21  ILE   9          1HG2      ILE   9  -4.167  -8.803  -4.449
   67   HG22  ILE   9          2HG2      ILE   9  -2.586  -8.032  -4.326
   68   HG23  ILE   9          3HG2      ILE   9  -2.700  -9.768  -4.614
   69   HD11  ILE   9          3HD1      ILE   9  -3.515 -12.625  -2.574
   70   HD12  ILE   9          1HD1      ILE   9  -2.906 -11.623  -3.891
   71   HD13  ILE   9          2HD1      ILE   9  -2.015 -11.720  -2.372
   72    H    PHE  10           H        PHE  10  -0.131 -10.947  -1.302
   73    HA   PHE  10           HA       PHE  10  -1.483 -12.063   0.847
   74    HB2  PHE  10           2HB      PHE  10   0.678 -12.831  -0.396
   75    HB3  PHE  10           3HB      PHE  10   1.513 -11.896   0.841
   76    HD1  PHE  10           HD2      PHE  10   0.451 -12.394   3.307
   77    HD2  PHE  10           HD1      PHE  10   0.560 -15.075   0.003
   78    HE1  PHE  10           HE2      PHE  10   0.297 -14.301   4.854
   79    HE2  PHE  10           HE1      PHE  10   0.405 -16.986   1.544
   80    HZ   PHE  10           HZ       PHE  10   0.274 -16.601   3.973
   81    H    THR  11           H        THR  11   0.976  -9.500   0.862
   82    HA   THR  11           HA       THR  11   1.181  -9.110   3.601
   83    HB   THR  11           HB       THR  11   2.716  -8.004   2.110
   84    HG1  THR  11           HG1      THR  11   2.364  -5.754   2.929
   85   HG21  THR  11          3HG2      THR  11   0.408  -6.289   1.190
   86   HG22  THR  11          1HG2      THR  11   1.089  -7.625   0.264
   87   HG23  THR  11          2HG2      THR  11   2.078  -6.211   0.629
   88    H    ARG  12           H        ARG  12  -1.171  -7.799   1.313
   89    HA   ARG  12           HA       ARG  12  -2.431  -6.013   3.093
   90    HB2  ARG  12           2HB      ARG  12  -3.395  -7.393   0.590
   91    HB3  ARG  12           3HB      ARG  12  -4.377  -6.232   1.472
   92    HG2  ARG  12           2HG      ARG  12  -1.687  -5.682   0.237
   93    HG3  ARG  12           3HG      ARG  12  -3.251  -5.196  -0.419
   94    HD2  ARG  12           2HD      ARG  12  -2.745  -3.271   0.666
   95    HD3  ARG  12           3HD      ARG  12  -3.477  -4.135   2.017
   96    HE   ARG  12           HE       ARG  12  -0.884  -4.824   2.221
   97   HH11  ARG  12          1HH1      ARG  12  -2.483  -1.752   1.867
   98   HH12  ARG  12          2HH1      ARG  12  -1.271  -0.873   2.740
   99   HH21  ARG  12          1HH2      ARG  12   0.718  -3.679   3.371
  100   HH22  ARG  12          2HH2      ARG  12   0.550  -1.970   3.594
  101    H    SER  13           H        SER  13  -3.234  -9.346   2.150
  102    HA   SER  13           HA       SER  13  -5.521  -9.576   3.783
  103    HB2  SER  13           2HB      SER  13  -4.964 -11.097   1.880
  104    HB3  SER  13           3HB      SER  13  -3.690 -11.807   2.871
  105    HG   SER  13           HG       SER  13  -5.188 -13.040   3.650
  106    H    GLN  14           H        GLN  14  -2.121 -10.387   4.331
  107    HA   GLN  14           HA       GLN  14  -2.389 -11.657   6.801
  108    HB2  GLN  14           2HB      GLN  14  -0.310 -11.669   5.498
  109    HB3  GLN  14           3HB      GLN  14  -0.101  -9.950   5.803
  110    HG2  GLN  14           2HG      GLN  14   1.333 -11.100   7.287
  111    HG3  GLN  14           3HG      GLN  14  -0.012 -10.484   8.245
  112   HE21  GLN  14          1HE2      GLN  14  -0.600 -11.863   9.743
  113   HE22  GLN  14          2HE2      GLN  14  -0.652 -13.583   9.590
  114    H    LYS  15           H        LYS  15  -1.791  -8.226   6.077
  115    HA   LYS  15           HA       LYS  15  -1.617  -7.276   8.680
  116    HB2  LYS  15           2HB      LYS  15  -1.111  -5.938   6.664
  117    HB3  LYS  15           3HB      LYS  15  -2.829  -5.868   6.293
  118    HG2  LYS  15           2HG      LYS  15  -2.956  -4.865   8.731
  119    HG3  LYS  15           3HG      LYS  15  -1.276  -4.448   8.386
  120    HD2  LYS  15           2HD      LYS  15  -2.415  -2.577   7.634
  121    HD3  LYS  15           3HD      LYS  15  -2.233  -3.523   6.155
  122    HE2  LYS  15           2HE      LYS  15  -4.457  -2.946   6.048
  123    HE3  LYS  15           3HE      LYS  15  -4.549  -4.512   6.853
  124    HZ1  LYS  15           3HZ      LYS  15  -5.787  -2.396   7.780
  125    HZ2  LYS  15           1HZ      LYS  15  -4.297  -2.140   8.540
  126    HZ3  LYS  15           2HZ      LYS  15  -5.150  -3.575   8.813
  127    H    GLU  16           H        GLU  16  -4.505  -7.555   6.617
  128    HA   GLU  16           HA       GLU  16  -6.374  -6.528   8.394
  129    HB2  GLU  16           2HB      GLU  16  -6.551  -7.414   5.895
  130    HB3  GLU  16           3HB      GLU  16  -7.149  -8.857   6.703
  131    HG2  GLU  16           2HG      GLU  16  -8.309  -6.210   7.416
  132    HG3  GLU  16           3HG      GLU  16  -8.788  -6.987   5.908
  133    H    GLY  17           H        GLY  17  -7.885  -7.541   9.806
  134    HA2  GLY  17           2HA      GLY  17  -8.679  -9.464  11.009
  135    HA3  GLY  17           3HA      GLY  17  -7.111 -10.217  10.760
  136    H    LEU  18           H        LEU  18  -5.249  -8.814  11.739
  137    HA   LEU  18           HA       LEU  18  -6.103  -7.920  14.414
  138    HB2  LEU  18           2HB      LEU  18  -4.845 -10.178  14.149
  139    HB3  LEU  18           3HB      LEU  18  -3.427  -9.159  13.908
  140    HG   LEU  18           HG       LEU  18  -5.128  -8.790  16.341
  141   HD11  LEU  18          1HD1      LEU  18  -4.091 -10.506  17.521
  142   HD12  LEU  18          2HD1      LEU  18  -2.838 -10.722  16.299
  143   HD13  LEU  18          3HD1      LEU  18  -4.488 -11.251  15.972
  144   HD21  LEU  18          3HD2      LEU  18  -2.375  -8.610  16.856
  145   HD22  LEU  18          1HD2      LEU  18  -3.543  -7.293  16.750
  146   HD23  LEU  18          2HD2      LEU  18  -2.643  -7.790  15.317
  Start of MODEL   15
    1    H1   VAL   1           H        VAL   1  -0.145  -0.068   1.159
    2    HA   VAL   1           HA       VAL   1   0.186   0.980  -1.425
    3    HB   VAL   1           HB       VAL   1   2.305  -0.413   0.214
    4   HG11  VAL   1          1HG1      VAL   1   3.837   0.418  -1.205
    5   HG12  VAL   1          2HG1      VAL   1   2.482   0.512  -2.331
    6   HG13  VAL   1          3HG1      VAL   1   2.968   1.938  -1.414
    7   HG21  VAL   1          3HG2      VAL   1   0.998   2.237   0.516
    8   HG22  VAL   1          1HG2      VAL   1   1.636   1.142   1.742
    9   HG23  VAL   1          2HG2      VAL   1   2.738   2.138   0.791
   10    H    PHE   2           H        PHE   2   0.834  -2.281  -0.157
   11    HA   PHE   2           HA       PHE   2   1.778  -3.409  -2.534
   12    HB2  PHE   2           2HB      PHE   2   0.671  -4.446   0.015
   13    HB3  PHE   2           3HB      PHE   2   0.658  -5.553  -1.353
   14    HD1  PHE   2           HD1      PHE   2   2.895  -3.327   0.603
   15    HD2  PHE   2           HD2      PHE   2   2.572  -6.736  -1.925
   16    HE1  PHE   2           HE1      PHE   2   5.264  -3.849   1.010
   17    HE2  PHE   2           HE2      PHE   2   4.940  -7.265  -1.520
   18    HZ   PHE   2           HZ       PHE   2   6.290  -5.821  -0.051
   19    H    ALA   3           H        ALA   3  -1.503  -3.073  -1.278
   20    HA   ALA   3           HA       ALA   3  -2.878  -4.667  -3.086
   21    HB1  ALA   3           1HB      ALA   3  -3.698  -2.135  -1.682
   22    HB2  ALA   3           2HB      ALA   3  -4.809  -3.106  -2.650
   23    HB3  ALA   3           3HB      ALA   3  -4.048  -3.800  -1.218
   24    H    SER   4           H        SER   4  -2.097  -1.202  -3.349
   25    HA   SER   4           HA       SER   4  -3.255  -0.843  -5.897
   26    HB2  SER   4           2HB      SER   4  -0.935   0.772  -4.848
   27    HB3  SER   4           3HB      SER   4  -2.249   1.299  -5.900
   28    HG   SER   4           HG       SER   4  -2.584   2.017  -3.775
   29    H    LEU   5           H        LEU   5   0.010  -1.692  -4.858
   30    HA   LEU   5           HA       LEU   5   1.093  -1.646  -7.515
   31    HB2  LEU   5           2HB      LEU   5   2.082  -2.481  -4.825
   32    HB3  LEU   5           3HB      LEU   5   2.963  -2.982  -6.267
   33    HG   LEU   5           HG       LEU   5   2.386  -0.117  -5.516
   34   HD11  LEU   5          1HD1      LEU   5   4.367  -1.954  -4.542
   35   HD12  LEU   5          2HD1      LEU   5   4.062  -0.282  -4.074
   36   HD13  LEU   5          3HD1      LEU   5   5.132  -0.636  -5.430
   37   HD21  LEU   5          3HD2      LEU   5   4.155  -1.327  -7.639
   38   HD22  LEU   5          1HD2      LEU   5   4.047   0.389  -7.246
   39   HD23  LEU   5          2HD2      LEU   5   2.647  -0.452  -7.909
   40    HA   PRO   6           HA       PRO   6   0.172  -5.702  -8.911
   41    HB2  PRO   6           2HB      PRO   6   2.464  -6.405 -10.186
   42    HB3  PRO   6           3HB      PRO   6   1.339  -5.201 -10.826
   43    HG2  PRO   6           2HG      PRO   6   3.894  -4.794  -9.319
   44    HG3  PRO   6           3HG      PRO   6   3.287  -3.933 -10.747
   45    HD2  PRO   6           2HD      PRO   6   3.103  -2.915  -8.244
   46    HD3  PRO   6           3HD      PRO   6   1.889  -2.591  -9.499
   47    H    GLY   7           H        GLY   7   2.637  -5.173  -6.626
   48    HA2  GLY   7           2HA      GLY   7   3.853  -7.633  -6.302
   49    HA3  GLY   7           3HA      GLY   7   3.509  -6.523  -4.984
   50    H    ILE   8           H        ILE   8   3.490  -9.111  -4.361
   51    HA   ILE   8           HA       ILE   8   1.046 -10.472  -4.720
   52    HB   ILE   8           HB       ILE   8   1.742 -11.883  -2.834
   53   HG12  ILE   8          2HG1      ILE   8   4.020  -9.908  -2.569
   54   HG13  ILE   8          3HG1      ILE   8   2.710 -10.128  -1.414
   55   HG21  ILE   8          1HG2      ILE   8   3.034 -12.969  -4.275
   56   HG22  ILE   8          2HG2      ILE   8   3.071 -11.518  -5.276
   57   HG23  ILE   8          3HG2      ILE   8   4.328 -11.788  -4.069
   58   HD11  ILE   8          3HD1      ILE   8   3.511 -12.532  -1.216
   59   HD12  ILE   8          1HD1      ILE   8   4.962 -11.994  -2.062
   60   HD13  ILE   8          2HD1      ILE   8   4.529 -11.277  -0.509
   61    H    ILE   9           H        ILE   9  -0.729 -10.724  -3.355
   62    HA   ILE   9           HA       ILE   9  -1.368  -8.388  -1.777
   63    HB   ILE   9           HB       ILE   9  -3.579  -9.072  -1.815
   64   HG12  ILE   9          2HG1      ILE   9  -3.292 -11.247  -0.762
   65   HG13  ILE   9          3HG1      ILE   9  -4.301 -11.412  -2.195
   66   HG21  ILE   9          1HG2      ILE   9  -4.072  -9.781  -4.077
   67   HG22  ILE   9          2HG2      ILE   9  -2.719  -8.650  -4.083
   68   HG23  ILE   9          3HG2      ILE   9  -2.424 -10.378  -4.275
   69   HD11  ILE   9          3HD1      ILE   9  -1.380 -12.102  -1.988
   70   HD12  ILE   9          1HD1      ILE   9  -2.728 -13.239  -2.038
   71   HD13  ILE   9          2HD1      ILE   9  -2.365 -12.238  -3.444
   72    H    PHE  10           H        PHE  10   0.398 -10.992  -1.081
   73    HA   PHE  10           HA       PHE  10  -0.641 -12.139   1.222
   74    HB2  PHE  10           2HB      PHE  10   1.927 -12.009  -0.095
   75    HB3  PHE  10           3HB      PHE  10   2.128 -11.929   1.652
   76    HD1  PHE  10           HD2      PHE  10  -0.373 -13.770  -0.398
   77    HD2  PHE  10           HD1      PHE  10   2.911 -14.002   2.301
   78    HE1  PHE  10           HE2      PHE  10  -0.665 -16.208  -0.257
   79    HE2  PHE  10           HE1      PHE  10   2.624 -16.442   2.445
   80    HZ   PHE  10           HZ       PHE  10   0.833 -17.548   1.166
   81    H    THR  11           H        THR  11   1.482  -9.299   0.938
   82    HA   THR  11           HA       THR  11   1.661  -8.714   3.669
   83    HB   THR  11           HB       THR  11   1.617  -6.350   1.932
   84    HG1  THR  11           HG1      THR  11   3.324  -8.556   1.348
   85   HG21  THR  11          3HG2      THR  11   3.350  -7.596   4.000
   86   HG22  THR  11          1HG2      THR  11   2.754  -5.941   3.872
   87   HG23  THR  11          2HG2      THR  11   4.103  -6.473   2.868
   88    H    ARG  12           H        ARG  12  -0.687  -7.689   1.230
   89    HA   ARG  12           HA       ARG  12  -2.083  -5.854   2.857
   90    HB2  ARG  12           2HB      ARG  12  -2.854  -7.409   0.395
   91    HB3  ARG  12           3HB      ARG  12  -3.974  -6.312   1.190
   92    HG2  ARG  12           2HG      ARG  12  -1.274  -5.529   0.112
   93    HG3  ARG  12           3HG      ARG  12  -2.811  -5.291  -0.724
   94    HD2  ARG  12           2HD      ARG  12  -2.688  -3.258   0.260
   95    HD3  ARG  12           3HD      ARG  12  -3.398  -4.131   1.618
   96    HE   ARG  12           HE       ARG  12  -0.601  -4.306   1.779
   97   HH11  ARG  12          1HH1      ARG  12  -3.164  -1.971   2.098
   98   HH12  ARG  12          2HH1      ARG  12  -2.297  -0.979   3.224
   99   HH21  ARG  12          1HH2      ARG  12   0.550  -3.009   3.261
  100   HH22  ARG  12          2HH2      ARG  12  -0.185  -1.570   3.884
  101    H    SER  13           H        SER  13  -2.644  -9.286   2.141
  102    HA   SER  13           HA       SER  13  -5.004  -9.550   3.655
  103    HB2  SER  13           2HB      SER  13  -3.905 -11.165   1.912
  104    HB3  SER  13           3HB      SER  13  -3.083 -11.831   3.323
  105    HG   SER  13           HG       SER  13  -4.882 -12.970   3.373
  106    H    GLN  14           H        GLN  14  -1.602 -10.113   4.477
  107    HA   GLN  14           HA       GLN  14  -1.932 -11.160   7.026
  108    HB2  GLN  14           2HB      GLN  14   0.253  -9.455   5.843
  109    HB3  GLN  14           3HB      GLN  14   0.350 -10.106   7.474
  110    HG2  GLN  14           2HG      GLN  14   0.537 -12.285   6.739
  111    HG3  GLN  14           3HG      GLN  14  -0.186 -11.927   5.172
  112   HE21  GLN  14          1HE2      GLN  14   1.869 -13.313   4.777
  113   HE22  GLN  14          2HE2      GLN  14   3.288 -12.412   4.377
  114    H    LYS  15           H        LYS  15  -1.777  -7.780   5.986
  115    HA   LYS  15           HA       LYS  15  -1.772  -6.572   8.502
  116    HB2  LYS  15           2HB      LYS  15  -1.554  -5.579   6.076
  117    HB3  LYS  15           3HB      LYS  15  -3.290  -5.344   6.233
  118    HG2  LYS  15           2HG      LYS  15  -1.528  -4.382   8.425
  119    HG3  LYS  15           3HG      LYS  15  -1.584  -3.467   6.916
  120    HD2  LYS  15           2HD      LYS  15  -4.145  -4.296   8.203
  121    HD3  LYS  15           3HD      LYS  15  -3.247  -2.936   8.882
  122    HE2  LYS  15           2HE      LYS  15  -4.097  -3.177   5.998
  123    HE3  LYS  15           3HE      LYS  15  -4.961  -2.255   7.227
  124    HZ1  LYS  15           3HZ      LYS  15  -3.640  -0.554   6.779
  125    HZ2  LYS  15           1HZ      LYS  15  -2.743  -1.475   5.678
  126    HZ3  LYS  15           2HZ      LYS  15  -2.304  -1.445   7.311
  127    H    GLU  16           H        GLU  16  -4.460  -7.698   6.502
  128    HA   GLU  16           HA       GLU  16  -6.446  -6.757   8.371
  129    HB2  GLU  16           2HB      GLU  16  -6.584  -8.417   5.859
  130    HB3  GLU  16           3HB      GLU  16  -7.997  -8.108   6.858
  131    HG2  GLU  16           2HG      GLU  16  -7.882  -5.775   6.452
  132    HG3  GLU  16           3HG      GLU  16  -6.294  -5.921   5.700
  133    H    GLY  17           H        GLY  17  -7.155  -7.808  10.106
  134    HA2  GLY  17           2HA      GLY  17  -7.879 -10.411  10.395
  135    HA3  GLY  17           3HA      GLY  17  -6.150 -10.442  10.708
  136    H    LEU  18           H        LEU  18  -5.330  -9.124  12.466
  137    HA   LEU  18           HA       LEU  18  -7.328  -8.850  14.605
  138    HB2  LEU  18           2HB      LEU  18  -5.206 -10.391  14.711
  139    HB3  LEU  18           3HB      LEU  18  -4.390  -8.883  15.118
  140    HG   LEU  18           HG       LEU  18  -4.961 -10.158  17.116
  141   HD11  LEU  18          1HD1      LEU  18  -5.735  -8.372  18.365
  142   HD12  LEU  18          2HD1      LEU  18  -6.822  -7.817  17.092
  143   HD13  LEU  18          3HD1      LEU  18  -5.082  -7.579  16.932
  144   HD21  LEU  18          3HD2      LEU  18  -7.254 -10.835  15.767
  145   HD22  LEU  18          1HD2      LEU  18  -7.835  -9.689  16.976
  146   HD23  LEU  18          2HD2      LEU  18  -6.943 -11.124  17.480
  Start of MODEL   16
    1    H1   VAL   1           H        VAL   1   0.146  -0.268   1.649
    2    HA   VAL   1           HA       VAL   1   0.394   0.910  -0.887
    3    HB   VAL   1           HB       VAL   1   2.555  -0.533   0.652
    4   HG11  VAL   1          1HG1      VAL   1   3.839  -0.006  -1.084
    5   HG12  VAL   1          2HG1      VAL   1   2.525   0.889  -1.850
    6   HG13  VAL   1          3HG1      VAL   1   3.582   1.694  -0.689
    7   HG21  VAL   1          3HG2      VAL   1   1.963   1.002   2.222
    8   HG22  VAL   1          1HG2      VAL   1   2.999   2.029   1.231
    9   HG23  VAL   1          2HG2      VAL   1   1.247   2.098   1.041
   10    H    PHE   2           H        PHE   2   1.099  -2.405   0.194
   11    HA   PHE   2           HA       PHE   2   1.999  -3.412  -2.248
   12    HB2  PHE   2           2HB      PHE   2   0.882  -4.590   0.243
   13    HB3  PHE   2           3HB      PHE   2   0.907  -5.618  -1.187
   14    HD1  PHE   2           HD1      PHE   2   3.190  -3.246   0.576
   15    HD2  PHE   2           HD2      PHE   2   2.736  -6.967  -1.440
   16    HE1  PHE   2           HE1      PHE   2   5.561  -3.756   0.991
   17    HE2  PHE   2           HE2      PHE   2   5.106  -7.484  -1.027
   18    HZ   PHE   2           HZ       PHE   2   6.522  -5.878   0.191
   19    H    ALA   3           H        ALA   3  -1.269  -3.130  -0.945
   20    HA   ALA   3           HA       ALA   3  -2.667  -4.620  -2.823
   21    HB1  ALA   3           1HB      ALA   3  -4.471  -3.872  -1.742
   22    HB2  ALA   3           2HB      ALA   3  -3.337  -3.035  -0.681
   23    HB3  ALA   3           3HB      ALA   3  -4.061  -2.184  -2.045
   24    H    SER   4           H        SER   4  -1.874  -1.149  -2.909
   25    HA   SER   4           HA       SER   4  -3.052  -0.652  -5.424
   26    HB2  SER   4           2HB      SER   4  -2.482   1.118  -3.772
   27    HB3  SER   4           3HB      SER   4  -0.772   0.850  -4.114
   28    HG   SER   4           HG       SER   4  -1.197   1.452  -6.281
   29    H    LEU   5           H        LEU   5   0.218  -1.566  -4.460
   30    HA   LEU   5           HA       LEU   5   1.276  -1.385  -7.122
   31    HB2  LEU   5           2HB      LEU   5   2.289  -2.358  -4.488
   32    HB3  LEU   5           3HB      LEU   5   3.155  -2.786  -5.962
   33    HG   LEU   5           HG       LEU   5   2.592   0.037  -5.060
   34   HD11  LEU   5          1HD1      LEU   5   4.148  -1.300  -3.591
   35   HD12  LEU   5          2HD1      LEU   5   4.825   0.164  -4.301
   36   HD13  LEU   5          3HD1      LEU   5   5.226  -1.412  -4.983
   37   HD21  LEU   5          3HD2      LEU   5   2.829  -0.177  -7.470
   38   HD22  LEU   5          1HD2      LEU   5   4.338  -1.067  -7.259
   39   HD23  LEU   5          2HD2      LEU   5   4.239   0.628  -6.779
   40    HA   PRO   6           HA       PRO   6   0.332  -5.363  -8.714
   41    HB2  PRO   6           2HB      PRO   6   2.610  -6.004 -10.045
   42    HB3  PRO   6           3HB      PRO   6   1.482  -4.767 -10.612
   43    HG2  PRO   6           2HG      PRO   6   4.052  -4.443  -9.111
   44    HG3  PRO   6           3HG      PRO   6   3.434  -3.510 -10.487
   45    HD2  PRO   6           2HD      PRO   6   3.275  -2.620  -7.934
   46    HD3  PRO   6           3HD      PRO   6   2.051  -2.230  -9.159
   47    H    GLY   7           H        GLY   7   2.776  -4.955  -6.399
   48    HA2  GLY   7           2HA      GLY   7   4.021  -7.416  -6.214
   49    HA3  GLY   7           3HA      GLY   7   3.653  -6.391  -4.835
   50    H    ILE   8           H        ILE   8   3.660  -9.009  -4.362
   51    HA   ILE   8           HA       ILE   8   1.236 -10.376  -4.825
   52    HB   ILE   8           HB       ILE   8   1.938 -11.928  -3.103
   53   HG12  ILE   8          2HG1      ILE   8   4.077  -9.890  -2.450
   54   HG13  ILE   8          3HG1      ILE   8   2.698 -10.296  -1.434
   55   HG21  ILE   8          1HG2      ILE   8   3.294 -11.392  -5.414
   56   HG22  ILE   8          2HG2      ILE   8   4.587 -11.405  -4.217
   57   HG23  ILE   8          3HG2      ILE   8   3.538 -12.811  -4.396
   58   HD11  ILE   8          3HD1      ILE   8   5.243 -11.687  -1.807
   59   HD12  ILE   8          1HD1      ILE   8   4.147 -11.664  -0.426
   60   HD13  ILE   8          2HD1      ILE   8   3.824 -12.733  -1.791
   61    H    ILE   9           H        ILE   9  -0.584 -10.654  -3.567
   62    HA   ILE   9           HA       ILE   9  -1.216  -8.457  -1.798
   63    HB   ILE   9           HB       ILE   9  -3.441  -9.074  -1.966
   64   HG12  ILE   9          2HG1      ILE   9  -3.242 -11.343  -1.112
   65   HG13  ILE   9          3HG1      ILE   9  -4.207 -11.348  -2.583
   66   HG21  ILE   9          1HG2      ILE   9  -3.882  -9.526  -4.291
   67   HG22  ILE   9          2HG2      ILE   9  -2.469  -8.479  -4.161
   68   HG23  ILE   9          3HG2      ILE   9  -2.265 -10.197  -4.503
   69   HD11  ILE   9          3HD1      ILE   9  -1.312 -12.133  -2.354
   70   HD12  ILE   9          1HD1      ILE   9  -2.684 -13.223  -2.549
   71   HD13  ILE   9          2HD1      ILE   9  -2.252 -12.108  -3.845
   72    H    PHE  10           H        PHE  10   0.463 -11.161  -1.295
   73    HA   PHE  10           HA       PHE  10  -0.677 -12.487   0.858
   74    HB2  PHE  10           2HB      PHE  10   1.866 -12.404  -0.422
   75    HB3  PHE  10           3HB      PHE  10   2.132 -12.293   1.315
   76    HD1  PHE  10           HD2      PHE  10  -0.375 -14.158  -0.719
   77    HD2  PHE  10           HD1      PHE  10   2.820 -14.344   2.087
   78    HE1  PHE  10           HE2      PHE  10  -0.696 -16.589  -0.520
   79    HE2  PHE  10           HE1      PHE  10   2.505 -16.776   2.290
   80    HZ   PHE  10           HZ       PHE  10   0.745 -17.901   0.987
   81    H    THR  11           H        THR  11   1.287  -9.549   0.814
   82    HA   THR  11           HA       THR  11   1.677  -9.200   3.538
   83    HB   THR  11           HB       THR  11   1.619  -6.681   2.945
   84    HG1  THR  11           HG1      THR  11   0.430  -6.757   1.049
   85   HG21  THR  11          3HG2      THR  11   3.522  -8.423   1.381
   86   HG22  THR  11          1HG2      THR  11   3.653  -8.143   3.117
   87   HG23  THR  11          2HG2      THR  11   3.811  -6.794   1.991
   88    H    ARG  12           H        ARG  12  -1.097  -8.319   1.533
   89    HA   ARG  12           HA       ARG  12  -2.506  -6.869   3.494
   90    HB2  ARG  12           2HB      ARG  12  -3.130  -8.098   0.877
   91    HB3  ARG  12           3HB      ARG  12  -4.500  -7.851   1.951
   92    HG2  ARG  12           2HG      ARG  12  -3.828  -5.466   2.160
   93    HG3  ARG  12           3HG      ARG  12  -2.589  -5.761   0.938
   94    HD2  ARG  12           2HD      ARG  12  -4.697  -4.775   0.044
   95    HD3  ARG  12           3HD      ARG  12  -4.240  -6.306  -0.702
   96    HE   ARG  12           HE       ARG  12  -6.151  -7.244   0.137
   97   HH11  ARG  12          1HH1      ARG  12  -5.537  -4.240   1.786
   98   HH12  ARG  12          2HH1      ARG  12  -7.053  -4.240   2.625
   99   HH21  ARG  12          1HH2      ARG  12  -8.150  -7.255   1.236
  100   HH22  ARG  12          2HH2      ARG  12  -8.538  -5.955   2.312
  101    H    SER  13           H        SER  13  -2.761 -10.269   2.474
  102    HA   SER  13           HA       SER  13  -4.772 -10.994   4.300
  103    HB2  SER  13           2HB      SER  13  -4.384 -12.461   2.472
  104    HB3  SER  13           3HB      SER  13  -2.668 -12.600   2.850
  105    HG   SER  13           HG       SER  13  -3.699 -14.437   3.585
  106    H    GLN  14           H        GLN  14  -1.249 -11.038   4.533
  107    HA   GLN  14           HA       GLN  14  -1.027 -12.404   6.968
  108    HB2  GLN  14           2HB      GLN  14   0.843 -11.857   5.374
  109    HB3  GLN  14           3HB      GLN  14   0.807 -10.212   5.994
  110    HG2  GLN  14           2HG      GLN  14   2.553 -11.325   7.120
  111    HG3  GLN  14           3HG      GLN  14   1.230 -11.167   8.273
  112   HE21  GLN  14          1HE2      GLN  14   2.950 -13.372   6.174
  113   HE22  GLN  14          2HE2      GLN  14   2.442 -14.823   6.961
  114    H    LYS  15           H        LYS  15  -1.485  -8.977   6.258
  115    HA   LYS  15           HA       LYS  15  -1.137  -7.962   8.839
  116    HB2  LYS  15           2HB      LYS  15  -1.273  -6.549   6.833
  117    HB3  LYS  15           3HB      LYS  15  -2.973  -6.960   6.654
  118    HG2  LYS  15           2HG      LYS  15  -3.155  -5.998   9.078
  119    HG3  LYS  15           3HG      LYS  15  -1.651  -5.183   8.644
  120    HD2  LYS  15           2HD      LYS  15  -4.092  -5.079   6.892
  121    HD3  LYS  15           3HD      LYS  15  -3.826  -3.926   8.202
  122    HE2  LYS  15           2HE      LYS  15  -1.689  -3.282   7.186
  123    HE3  LYS  15           3HE      LYS  15  -1.972  -4.426   5.874
  124    HZ1  LYS  15           3HZ      LYS  15  -3.773  -3.163   5.088
  125    HZ2  LYS  15           1HZ      LYS  15  -2.555  -2.036   5.415
  126    HZ3  LYS  15           2HZ      LYS  15  -3.848  -2.219   6.490
  127    H    GLU  16           H        GLU  16  -3.990  -9.313   7.255
  128    HA   GLU  16           HA       GLU  16  -5.991 -10.032   8.063
  129    HB2  GLU  16           2HB      GLU  16  -4.589 -10.042  10.741
  130    HB3  GLU  16           3HB      GLU  16  -6.066 -10.905  10.333
  131    HG2  GLU  16           2HG      GLU  16  -3.517 -11.412   8.849
  132    HG3  GLU  16           3HG      GLU  16  -3.858 -12.205  10.386
  133    H    GLY  17           H        GLY  17  -5.524  -7.211   7.849
  134    HA2  GLY  17           2HA      GLY  17  -6.776  -5.319   8.273
  135    HA3  GLY  17           3HA      GLY  17  -7.777  -6.279   9.351
  136    H    LEU  18           H        LEU  18  -7.814  -4.470  10.789
  137    HA   LEU  18           HA       LEU  18  -5.279  -3.877  12.137
  138    HB2  LEU  18           2HB      LEU  18  -7.049  -2.138  11.249
  139    HB3  LEU  18           3HB      LEU  18  -7.826  -2.479  12.794
  140    HG   LEU  18           HG       LEU  18  -4.970  -1.552  12.566
  141   HD11  LEU  18          1HD1      LEU  18  -7.519   0.000  12.603
  142   HD12  LEU  18          2HD1      LEU  18  -6.047   0.279  11.675
  143   HD13  LEU  18          3HD1      LEU  18  -6.084   0.647  13.399
  144   HD21  LEU  18          3HD2      LEU  18  -6.882  -2.100  14.768
  145   HD22  LEU  18          1HD2      LEU  18  -5.785  -0.732  14.954
  146   HD23  LEU  18          2HD2      LEU  18  -5.137  -2.351  14.690
  Start of MODEL   17
    1    H1   VAL   1           H        VAL   1   0.075   0.627   0.735
    2    HA   VAL   1           HA       VAL   1   0.305   1.550  -1.911
    3    HB   VAL   1           HB       VAL   1   2.520   0.332  -0.261
    4   HG11  VAL   1          1HG1      VAL   1   3.874   2.039  -1.546
    5   HG12  VAL   1          2HG1      VAL   1   3.261   0.673  -2.480
    6   HG13  VAL   1          3HG1      VAL   1   2.463   2.243  -2.583
    7   HG21  VAL   1          3HG2      VAL   1   1.003   2.815   0.086
    8   HG22  VAL   1          1HG2      VAL   1   2.016   1.933   1.229
    9   HG23  VAL   1          2HG2      VAL   1   2.753   3.028   0.059
   10    H    PHE   2           H        PHE   2   1.112  -1.606  -0.479
   11    HA   PHE   2           HA       PHE   2   2.070  -2.841  -2.785
   12    HB2  PHE   2           2HB      PHE   2   1.375  -3.626  -0.129
   13    HB3  PHE   2           3HB      PHE   2   0.671  -4.786  -1.251
   14    HD1  PHE   2           HD1      PHE   2   3.888  -2.976  -0.707
   15    HD2  PHE   2           HD2      PHE   2   1.951  -6.587  -1.858
   16    HE1  PHE   2           HE1      PHE   2   6.078  -4.074  -0.937
   17    HE2  PHE   2           HE2      PHE   2   4.138  -7.690  -2.089
   18    HZ   PHE   2           HZ       PHE   2   6.205  -6.434  -1.627
   19    H    ALA   3           H        ALA   3  -1.227  -2.514  -1.569
   20    HA   ALA   3           HA       ALA   3  -2.552  -4.233  -3.299
   21    HB1  ALA   3           1HB      ALA   3  -3.299  -1.871  -1.700
   22    HB2  ALA   3           2HB      ALA   3  -4.392  -2.293  -3.018
   23    HB3  ALA   3           3HB      ALA   3  -4.024  -3.477  -1.764
   24    H    SER   4           H        SER   4  -1.848  -0.770  -3.741
   25    HA   SER   4           HA       SER   4  -2.994  -0.574  -6.312
   26    HB2  SER   4           2HB      SER   4  -0.989   1.097  -4.811
   27    HB3  SER   4           3HB      SER   4  -1.453   1.490  -6.466
   28    HG   SER   4           HG       SER   4  -3.658   1.505  -5.684
   29    H    LEU   5           H        LEU   5   0.281  -1.291  -5.209
   30    HA   LEU   5           HA       LEU   5   1.452  -1.297  -7.802
   31    HB2  LEU   5           2HB      LEU   5   2.271  -2.073  -5.069
   32    HB3  LEU   5           3HB      LEU   5   3.140  -2.835  -6.399
   33    HG   LEU   5           HG       LEU   5   3.848  -0.670  -7.222
   34   HD11  LEU   5          1HD1      LEU   5   3.364   1.278  -5.522
   35   HD12  LEU   5          2HD1      LEU   5   1.930   0.313  -5.172
   36   HD13  LEU   5          3HD1      LEU   5   2.227   0.888  -6.813
   37   HD21  LEU   5          3HD2      LEU   5   5.575  -0.910  -5.851
   38   HD22  LEU   5          1HD2      LEU   5   4.568  -1.786  -4.698
   39   HD23  LEU   5          2HD2      LEU   5   4.691  -0.029  -4.603
   40    HA   PRO   6           HA       PRO   6   0.488  -5.285  -9.355
   41    HB2  PRO   6           2HB      PRO   6   2.832  -6.061 -10.483
   42    HB3  PRO   6           3HB      PRO   6   1.807  -4.796 -11.171
   43    HG2  PRO   6           2HG      PRO   6   4.264  -4.532  -9.481
   44    HG3  PRO   6           3HG      PRO   6   3.797  -3.617 -10.926
   45    HD2  PRO   6           2HD      PRO   6   3.479  -2.644  -8.419
   46    HD3  PRO   6           3HD      PRO   6   2.372  -2.241  -9.747
   47    H    GLY   7           H        GLY   7   2.884  -4.921  -6.939
   48    HA2  GLY   7           2HA      GLY   7   3.906  -7.466  -6.593
   49    HA3  GLY   7           3HA      GLY   7   3.600  -6.339  -5.280
   50    H    ILE   8           H        ILE   8   3.367  -8.913  -4.662
   51    HA   ILE   8           HA       ILE   8   0.859 -10.109  -5.122
   52    HB   ILE   8           HB       ILE   8   1.379 -11.618  -3.330
   53   HG12  ILE   8          2HG1      ILE   8   3.514  -9.620  -2.554
   54   HG13  ILE   8          3HG1      ILE   8   2.068 -10.016  -1.632
   55   HG21  ILE   8          1HG2      ILE   8   2.999 -11.189  -5.519
   56   HG22  ILE   8          2HG2      ILE   8   4.140 -11.323  -4.182
   57   HG23  ILE   8          3HG2      ILE   8   2.992 -12.625  -4.494
   58   HD11  ILE   8          3HD1      ILE   8   3.076 -12.438  -1.720
   59   HD12  ILE   8          1HD1      ILE   8   4.581 -11.555  -1.978
   60   HD13  ILE   8          2HD1      ILE   8   3.622 -11.259  -0.527
   61    H    ILE   9           H        ILE   9  -0.276 -10.772  -2.773
   62    HA   ILE   9           HA       ILE   9  -1.046  -8.208  -1.545
   63    HB   ILE   9           HB       ILE   9  -3.312  -8.684  -1.632
   64   HG12  ILE   9          2HG1      ILE   9  -3.250 -10.929  -0.710
   65   HG13  ILE   9          3HG1      ILE   9  -4.233 -10.927  -2.169
   66   HG21  ILE   9          1HG2      ILE   9  -3.836  -9.257  -3.943
   67   HG22  ILE   9          2HG2      ILE   9  -2.436  -8.189  -3.859
   68   HG23  ILE   9          3HG2      ILE   9  -2.213  -9.913  -4.157
   69   HD11  ILE   9          3HD1      ILE   9  -2.918 -12.876  -2.243
   70   HD12  ILE   9          1HD1      ILE   9  -2.198 -11.754  -3.396
   71   HD13  ILE   9          2HD1      ILE   9  -1.452 -11.994  -1.815
   72    H    PHE  10           H        PHE  10   0.506 -10.944  -0.956
   73    HA   PHE  10           HA       PHE  10  -0.657 -12.162   1.246
   74    HB2  PHE  10           2HB      PHE  10   1.681 -12.485  -0.114
   75    HB3  PHE  10           3HB      PHE  10   2.268 -11.827   1.410
   76    HD1  PHE  10           HD1      PHE  10  -0.408 -14.252   0.459
   77    HD2  PHE  10           HD2      PHE  10   3.057 -13.462   2.801
   78    HE1  PHE  10           HE1      PHE  10  -0.600 -16.479   1.488
   79    HE2  PHE  10           HE2      PHE  10   2.871 -15.688   3.833
   80    HZ   PHE  10           HZ       PHE  10   1.042 -17.200   3.176
   81    H    THR  11           H        THR  11   1.619  -9.428   1.191
   82    HA   THR  11           HA       THR  11   1.794  -9.008   3.938
   83    HB   THR  11           HB       THR  11   3.314  -7.874   2.453
   84    HG1  THR  11           HG1      THR  11   3.158  -6.644   4.232
   85   HG21  THR  11          3HG2      THR  11   1.705  -7.580   0.578
   86   HG22  THR  11          1HG2      THR  11   2.640  -6.128   0.933
   87   HG23  THR  11          2HG2      THR  11   0.965  -6.252   1.471
   88    H    ARG  12           H        ARG  12  -0.565  -7.811   1.597
   89    HA   ARG  12           HA       ARG  12  -1.905  -5.985   3.224
   90    HB2  ARG  12           2HB      ARG  12  -2.183  -6.833   0.652
   91    HB3  ARG  12           3HB      ARG  12  -3.602  -7.557   1.397
   92    HG2  ARG  12           2HG      ARG  12  -3.820  -5.088   2.390
   93    HG3  ARG  12           3HG      ARG  12  -2.959  -4.720   0.894
   94    HD2  ARG  12           2HD      ARG  12  -5.362  -4.587   0.553
   95    HD3  ARG  12           3HD      ARG  12  -4.675  -5.915  -0.381
   96    HE   ARG  12           HE       ARG  12  -5.607  -6.807   2.151
   97   HH11  ARG  12          1HH1      ARG  12  -6.676  -5.867  -1.026
   98   HH12  ARG  12          2HH1      ARG  12  -8.117  -6.827  -0.968
   99   HH21  ARG  12          1HH2      ARG  12  -7.501  -8.075   2.239
  100   HH22  ARG  12          2HH2      ARG  12  -8.586  -8.082   0.890
  101    H    SER  13           H        SER  13  -2.540  -9.446   2.713
  102    HA   SER  13           HA       SER  13  -4.791  -9.695   4.322
  103    HB2  SER  13           2HB      SER  13  -4.057 -11.499   2.862
  104    HB3  SER  13           3HB      SER  13  -2.587 -11.708   3.813
  105    HG   SER  13           HG       SER  13  -4.918 -12.868   4.188
  106    H    GLN  14           H        GLN  14  -1.365  -9.900   5.193
  107    HA   GLN  14           HA       GLN  14  -1.744 -10.613   7.891
  108    HB2  GLN  14           2HB      GLN  14   0.410 -10.855   6.749
  109    HB3  GLN  14           3HB      GLN  14   0.543  -9.107   6.609
  110    HG2  GLN  14           2HG      GLN  14   1.922  -9.769   8.409
  111    HG3  GLN  14           3HG      GLN  14   0.502  -8.992   9.106
  112   HE21  GLN  14          1HE2      GLN  14   1.038 -10.085  11.067
  113   HE22  GLN  14          2HE2      GLN  14   0.600 -11.741  11.290
  114    H    LYS  15           H        LYS  15  -1.193  -7.443   6.373
  115    HA   LYS  15           HA       LYS  15  -1.231  -5.880   8.669
  116    HB2  LYS  15           2HB      LYS  15  -2.021  -5.311   5.822
  117    HB3  LYS  15           3HB      LYS  15  -2.131  -4.073   7.066
  118    HG2  LYS  15           2HG      LYS  15   0.416  -5.570   6.561
  119    HG3  LYS  15           3HG      LYS  15  -0.025  -4.136   5.632
  120    HD2  LYS  15           2HD      LYS  15  -0.332  -2.974   7.878
  121    HD3  LYS  15           3HD      LYS  15   0.496  -4.363   8.586
  122    HE2  LYS  15           2HE      LYS  15   2.299  -3.875   6.781
  123    HE3  LYS  15           3HE      LYS  15   1.545  -2.283   6.707
  124    HZ1  LYS  15           3HZ      LYS  15   3.172  -3.467   8.796
  125    HZ2  LYS  15           1HZ      LYS  15   1.834  -2.583   9.336
  126    HZ3  LYS  15           2HZ      LYS  15   2.992  -1.845   8.350
  127    H    GLU  16           H        GLU  16  -3.944  -6.782   6.551
  128    HA   GLU  16           HA       GLU  16  -5.814  -5.742   8.553
  129    HB2  GLU  16           2HB      GLU  16  -6.130  -6.531   5.663
  130    HB3  GLU  16           3HB      GLU  16  -7.515  -6.245   6.707
  131    HG2  GLU  16           2HG      GLU  16  -5.358  -4.259   6.033
  132    HG3  GLU  16           3HG      GLU  16  -7.001  -4.278   5.394
  133    H    GLY  17           H        GLY  17  -5.525  -7.438  10.076
  134    HA2  GLY  17           2HA      GLY  17  -7.157  -9.777   9.450
  135    HA3  GLY  17           3HA      GLY  17  -5.498 -10.081   9.944
  136    H    LEU  18           H        LEU  18  -5.160 -10.395  12.039
  137    HA   LEU  18           HA       LEU  18  -6.850  -9.045  14.000
  138    HB2  LEU  18           2HB      LEU  18  -7.846 -11.284  13.463
  139    HB3  LEU  18           3HB      LEU  18  -6.374 -12.017  14.100
  140    HG   LEU  18           HG       LEU  18  -6.947 -10.736  16.270
  141   HD11  LEU  18          1HD1      LEU  18  -9.780 -10.981  15.508
  142   HD12  LEU  18          2HD1      LEU  18  -8.905  -9.628  14.793
  143   HD13  LEU  18          3HD1      LEU  18  -8.977  -9.803  16.546
  144   HD21  LEU  18          3HD2      LEU  18  -8.859 -12.617  16.593
  145   HD22  LEU  18          1HD2      LEU  18  -7.128 -12.947  16.651
  146   HD23  LEU  18          2HD2      LEU  18  -8.031 -13.239  15.164
  Start of MODEL   18
    1    H1   VAL   1           H        VAL   1  -0.607  -0.013   1.661
    2    HA   VAL   1           HA       VAL   1  -0.834   0.687  -1.044
    3    HB   VAL   1           HB       VAL   1   1.690  -0.018   0.459
    4   HG11  VAL   1          1HG1      VAL   1   1.313   1.711  -1.982
    5   HG12  VAL   1          2HG1      VAL   1   2.839   1.328  -1.184
    6   HG13  VAL   1          3HG1      VAL   1   1.926   0.058  -2.000
    7   HG21  VAL   1          3HG2      VAL   1  -0.044   2.390   0.437
    8   HG22  VAL   1          1HG2      VAL   1   0.925   1.702   1.740
    9   HG23  VAL   1          2HG2      VAL   1   1.702   2.638   0.464
   10    H    PHE   2           H        PHE   2   0.365  -2.257   0.508
   11    HA   PHE   2           HA       PHE   2   1.344  -3.525  -1.796
   12    HB2  PHE   2           2HB      PHE   2   0.744  -4.269   0.960
   13    HB3  PHE   2           3HB      PHE   2   0.442  -5.583  -0.172
   14    HD1  PHE   2           HD1      PHE   2   3.044  -3.000   0.524
   15    HD2  PHE   2           HD2      PHE   2   2.180  -7.005  -0.628
   16    HE1  PHE   2           HE1      PHE   2   5.452  -3.501   0.475
   17    HE2  PHE   2           HE2      PHE   2   4.587  -7.513  -0.678
   18    HZ   PHE   2           HZ       PHE   2   6.226  -5.761  -0.126
   19    H    ALA   3           H        ALA   3  -1.864  -3.511  -0.317
   20    HA   ALA   3           HA       ALA   3  -3.076  -5.469  -1.893
   21    HB1  ALA   3           1HB      ALA   3  -5.102  -4.727  -1.054
   22    HB2  ALA   3           2HB      ALA   3  -3.960  -4.191   0.179
   23    HB3  ALA   3           3HB      ALA   3  -4.582  -3.042  -1.006
   24    H    SER   4           H        SER   4  -2.936  -1.947  -2.396
   25    HA   SER   4           HA       SER   4  -4.340  -1.954  -4.843
   26    HB2  SER   4           2HB      SER   4  -4.002   0.067  -3.437
   27    HB3  SER   4           3HB      SER   4  -2.295   0.060  -3.879
   28    HG   SER   4           HG       SER   4  -4.461   0.931  -5.294
   29    H    LEU   5           H        LEU   5  -0.901  -2.157  -4.066
   30    HA   LEU   5           HA       LEU   5  -0.001  -2.031  -6.762
   31    HB2  LEU   5           2HB      LEU   5   1.223  -2.795  -4.149
   32    HB3  LEU   5           3HB      LEU   5   2.075  -3.166  -5.646
   33    HG   LEU   5           HG       LEU   5   1.218  -0.400  -4.798
   34   HD11  LEU   5          1HD1      LEU   5   3.183  -0.091  -3.760
   35   HD12  LEU   5          2HD1      LEU   5   4.071  -1.078  -4.920
   36   HD13  LEU   5          3HD1      LEU   5   3.176  -1.848  -3.610
   37   HD21  LEU   5          3HD2      LEU   5   2.716   0.323  -6.601
   38   HD22  LEU   5          1HD2      LEU   5   1.386  -0.663  -7.209
   39   HD23  LEU   5          2HD2      LEU   5   2.995  -1.363  -7.038
   40    HA   PRO   6           HA       PRO   6  -0.532  -6.142  -8.203
   41    HB2  PRO   6           2HB      PRO   6   1.751  -6.555  -9.613
   42    HB3  PRO   6           3HB      PRO   6   0.463  -5.477 -10.165
   43    HG2  PRO   6           2HG      PRO   6   3.035  -4.806  -8.786
   44    HG3  PRO   6           3HG      PRO   6   2.256  -3.996 -10.158
   45    HD2  PRO   6           2HD      PRO   6   2.096  -3.049  -7.626
   46    HD3  PRO   6           3HD      PRO   6   0.786  -2.845  -8.807
   47    H    GLY   7           H        GLY   7   1.995  -5.373  -6.051
   48    HA2  GLY   7           2HA      GLY   7   3.469  -7.711  -5.857
   49    HA3  GLY   7           3HA      GLY   7   3.131  -6.637  -4.507
   50    H    ILE   8           H        ILE   8   3.384  -9.150  -3.807
   51    HA   ILE   8           HA       ILE   8   1.171 -10.846  -4.035
   52    HB   ILE   8           HB       ILE   8   2.036 -12.060  -2.153
   53   HG12  ILE   8          2HG1      ILE   8   3.721  -9.605  -1.616
   54   HG13  ILE   8          3HG1      ILE   8   2.407 -10.210  -0.613
   55   HG21  ILE   8          1HG2      ILE   8   3.419 -11.601  -4.436
   56   HG22  ILE   8          2HG2      ILE   8   4.623 -11.172  -3.221
   57   HG23  ILE   8          3HG2      ILE   8   3.888 -12.775  -3.207
   58   HD11  ILE   8          3HD1      ILE   8   4.197 -12.341  -0.897
   59   HD12  ILE   8          1HD1      ILE   8   5.180 -10.909  -0.591
   60   HD13  ILE   8          2HD1      ILE   8   3.902 -11.358   0.538
   61    H    ILE   9           H        ILE   9   0.206 -11.551  -1.648
   62    HA   ILE   9           HA       ILE   9  -0.970  -9.123  -0.478
   63    HB   ILE   9           HB       ILE   9  -3.151  -9.893  -0.604
   64   HG12  ILE   9          2HG1      ILE   9  -2.839 -12.106   0.319
   65   HG13  ILE   9          3HG1      ILE   9  -3.746 -12.247  -1.183
   66   HG21  ILE   9          1HG2      ILE   9  -1.793  -9.609  -2.904
   67   HG22  ILE   9          2HG2      ILE   9  -2.409 -11.247  -3.117
   68   HG23  ILE   9          3HG2      ILE   9  -3.528  -9.914  -2.830
   69   HD11  ILE   9          3HD1      ILE   9  -1.330 -12.617  -2.181
   70   HD12  ILE   9          1HD1      ILE   9  -1.000 -13.141  -0.529
   71   HD13  ILE   9          2HD1      ILE   9  -2.262 -13.935  -1.472
   72    H    PHE  10           H        PHE  10   0.909 -11.657   0.113
   73    HA   PHE  10           HA       PHE  10  -0.206 -12.876   2.402
   74    HB2  PHE  10           2HB      PHE  10   2.697 -12.550   1.612
   75    HB3  PHE  10           3HB      PHE  10   2.102 -13.639   2.862
   76    HD1  PHE  10           HD2      PHE  10  -0.376 -14.593   1.426
   77    HD2  PHE  10           HD1      PHE  10   3.649 -14.103   0.131
   78    HE1  PHE  10           HE2      PHE  10  -0.710 -16.349  -0.265
   79    HE2  PHE  10           HE1      PHE  10   3.321 -15.858  -1.563
   80    HZ   PHE  10           HZ       PHE  10   1.140 -16.984  -1.761
   81    H    THR  11           H        THR  11   1.916 -10.083   1.980
   82    HA   THR  11           HA       THR  11   2.424  -9.619   4.716
   83    HB   THR  11           HB       THR  11   3.132  -7.376   4.051
   84    HG1  THR  11           HG1      THR  11   2.175  -8.031   1.448
   85   HG21  THR  11          3HG2      THR  11   5.026  -8.175   3.160
   86   HG22  THR  11          1HG2      THR  11   4.193  -8.790   1.733
   87   HG23  THR  11          2HG2      THR  11   4.244  -9.754   3.208
   88    H    ARG  12           H        ARG  12   0.063  -8.144   2.494
   89    HA   ARG  12           HA       ARG  12  -1.149  -6.489   4.433
   90    HB2  ARG  12           2HB      ARG  12  -2.969  -6.243   2.802
   91    HB3  ARG  12           3HB      ARG  12  -1.393  -6.068   2.043
   92    HG2  ARG  12           2HG      ARG  12  -1.563  -8.444   1.308
   93    HG3  ARG  12           3HG      ARG  12  -3.217  -8.456   1.923
   94    HD2  ARG  12           2HD      ARG  12  -2.906  -6.154   0.294
   95    HD3  ARG  12           3HD      ARG  12  -2.256  -7.534  -0.591
   96    HE   ARG  12           HE       ARG  12  -4.380  -8.392  -0.768
   97   HH11  ARG  12          1HH1      ARG  12  -4.361  -5.773   1.526
   98   HH12  ARG  12          2HH1      ARG  12  -6.087  -5.697   1.650
   99   HH21  ARG  12          1HH2      ARG  12  -6.654  -8.301  -0.613
  100   HH22  ARG  12          2HH2      ARG  12  -7.391  -7.136   0.434
  101    H    SER  13           H        SER  13  -1.857  -9.757   3.299
  102    HA   SER  13           HA       SER  13  -4.301 -10.096   4.650
  103    HB2  SER  13           2HB      SER  13  -3.523 -11.595   2.847
  104    HB3  SER  13           3HB      SER  13  -2.257 -12.205   3.912
  105    HG   SER  13           HG       SER  13  -4.981 -12.305   4.647
  106    H    GLN  14           H        GLN  14  -0.960 -10.681   5.630
  107    HA   GLN  14           HA       GLN  14  -1.416 -12.031   8.018
  108    HB2  GLN  14           2HB      GLN  14   0.805 -11.631   6.885
  109    HB3  GLN  14           3HB      GLN  14   0.781 -10.011   7.568
  110    HG2  GLN  14           2HG      GLN  14   1.109 -10.759   9.713
  111    HG3  GLN  14           3HG      GLN  14   0.444 -12.355   9.373
  112   HE21  GLN  14          1HE2      GLN  14   3.206 -10.720  10.012
  113   HE22  GLN  14          2HE2      GLN  14   4.359 -11.806   9.324
  114    H    LYS  15           H        LYS  15  -1.215  -8.542   7.405
  115    HA   LYS  15           HA       LYS  15  -1.541  -7.727  10.084
  116    HB2  LYS  15           2HB      LYS  15  -2.284  -6.245   7.554
  117    HB3  LYS  15           3HB      LYS  15  -2.092  -5.526   9.147
  118    HG2  LYS  15           2HG      LYS  15   0.181  -5.626   9.075
  119    HG3  LYS  15           3HG      LYS  15   0.197  -7.050   8.032
  120    HD2  LYS  15           2HD      LYS  15   0.844  -5.508   6.495
  121    HD3  LYS  15           3HD      LYS  15  -0.902  -5.307   6.334
  122    HE2  LYS  15           2HE      LYS  15  -0.234  -3.123   6.572
  123    HE3  LYS  15           3HE      LYS  15  -0.569  -3.552   8.249
  124    HZ1  LYS  15           3HZ      LYS  15   1.519  -2.414   8.122
  125    HZ2  LYS  15           1HZ      LYS  15   2.095  -3.478   6.939
  126    HZ3  LYS  15           2HZ      LYS  15   1.819  -4.032   8.513
  127    H    GLU  16           H        GLU  16  -3.888  -8.077   7.434
  128    HA   GLU  16           HA       GLU  16  -6.162  -8.199   7.417
  129    HB2  GLU  16           2HB      GLU  16  -5.267 -10.106   9.131
  130    HB3  GLU  16           3HB      GLU  16  -6.342  -9.200  10.188
  131    HG2  GLU  16           2HG      GLU  16  -8.176  -9.523   8.623
  132    HG3  GLU  16           3HG      GLU  16  -7.104 -10.403   7.536
  133    H    GLY  17           H        GLY  17  -5.080  -5.714   8.241
  134    HA2  GLY  17           2HA      GLY  17  -6.794  -4.824  10.441
  135    HA3  GLY  17           3HA      GLY  17  -5.508  -3.894   9.687
  136    H    LEU  18           H        LEU  18  -6.183  -2.230   8.526
  137    HA   LEU  18           HA       LEU  18  -8.830  -1.616   7.999
  138    HB2  LEU  18           2HB      LEU  18  -8.060   0.201   6.770
  139    HB3  LEU  18           3HB      LEU  18  -6.762  -0.121   7.919
  140    HG   LEU  18           HG       LEU  18  -6.744  -1.010   5.037
  141   HD11  LEU  18          1HD1      LEU  18  -6.205   1.070   4.494
  142   HD12  LEU  18          2HD1      LEU  18  -4.771   0.926   5.510
  143   HD13  LEU  18          3HD1      LEU  18  -6.266   1.573   6.183
  144   HD21  LEU  18          3HD2      LEU  18  -5.370  -2.405   6.443
  145   HD22  LEU  18          1HD2      LEU  18  -4.629  -0.988   7.186
  146   HD23  LEU  18          2HD2      LEU  18  -4.333  -1.347   5.485
  Start of MODEL   19
    1    H1   VAL   1           H        VAL   1   1.338   0.814   0.388
    2    HA   VAL   1           HA       VAL   1   1.674   1.649  -2.277
    3    HB   VAL   1           HB       VAL   1   3.680   0.157  -0.583
    4   HG11  VAL   1          1HG1      VAL   1   4.621   0.207  -2.684
    5   HG12  VAL   1          2HG1      VAL   1   3.842   1.731  -3.114
    6   HG13  VAL   1          3HG1      VAL   1   5.214   1.722  -2.005
    7   HG21  VAL   1          3HG2      VAL   1   3.285   1.928   0.793
    8   HG22  VAL   1          1HG2      VAL   1   4.436   2.690  -0.305
    9   HG23  VAL   1          2HG2      VAL   1   2.706   2.959  -0.516
   10    H    PHE   2           H        PHE   2   1.771  -1.559  -0.783
   11    HA   PHE   2           HA       PHE   2   2.592  -2.991  -3.057
   12    HB2  PHE   2           2HB      PHE   2   1.759  -3.590  -0.396
   13    HB3  PHE   2           3HB      PHE   2   0.852  -4.621  -1.497
   14    HD1  PHE   2           HD1      PHE   2   4.362  -3.381  -1.187
   15    HD2  PHE   2           HD2      PHE   2   1.764  -6.684  -1.859
   16    HE1  PHE   2           HE1      PHE   2   6.312  -4.869  -1.390
   17    HE2  PHE   2           HE2      PHE   2   3.708  -8.178  -2.062
   18    HZ   PHE   2           HZ       PHE   2   5.986  -7.271  -1.827
   19    H    ALA   3           H        ALA   3  -0.606  -2.062  -1.889
   20    HA   ALA   3           HA       ALA   3  -2.200  -3.555  -3.600
   21    HB1  ALA   3           1HB      ALA   3  -3.951  -2.220  -2.947
   22    HB2  ALA   3           2HB      ALA   3  -2.798  -1.919  -1.647
   23    HB3  ALA   3           3HB      ALA   3  -2.976  -0.750  -2.955
   24    H    SER   4           H        SER   4  -0.887  -0.284  -4.107
   25    HA   SER   4           HA       SER   4  -1.956   0.050  -6.697
   26    HB2  SER   4           2HB      SER   4   0.444   1.358  -5.395
   27    HB3  SER   4           3HB      SER   4  -0.298   1.895  -6.902
   28    HG   SER   4           HG       SER   4  -0.953   2.828  -4.691
   29    H    LEU   5           H        LEU   5   1.131  -1.205  -5.532
   30    HA   LEU   5           HA       LEU   5   2.295  -1.487  -8.118
   31    HB2  LEU   5           2HB      LEU   5   2.957  -2.453  -5.373
   32    HB3  LEU   5           3HB      LEU   5   3.793  -3.147  -6.760
   33    HG   LEU   5           HG       LEU   5   3.763  -0.211  -6.065
   34   HD11  LEU   5          1HD1      LEU   5   5.144  -2.273  -4.788
   35   HD12  LEU   5          2HD1      LEU   5   5.459  -0.542  -4.674
   36   HD13  LEU   5          3HD1      LEU   5   6.318  -1.518  -5.865
   37   HD21  LEU   5          3HD2      LEU   5   4.076  -0.639  -8.438
   38   HD22  LEU   5          1HD2      LEU   5   5.363  -1.789  -8.077
   39   HD23  LEU   5          2HD2      LEU   5   5.580  -0.078  -7.706
   40    HA   PRO   6           HA       PRO   6   0.657  -5.305  -9.531
   41    HB2  PRO   6           2HB      PRO   6   2.826  -6.476 -10.669
   42    HB3  PRO   6           3HB      PRO   6   2.002  -5.084 -11.381
   43    HG2  PRO   6           2HG      PRO   6   4.502  -5.167  -9.736
   44    HG3  PRO   6           3HG      PRO   6   4.158  -4.230 -11.202
   45    HD2  PRO   6           2HD      PRO   6   4.047  -3.148  -8.722
   46    HD3  PRO   6           3HD      PRO   6   2.993  -2.612 -10.046
   47    H    GLY   7           H        GLY   7   3.004  -5.223  -7.086
   48    HA2  GLY   7           2HA      GLY   7   3.706  -7.870  -6.680
   49    HA3  GLY   7           3HA      GLY   7   3.506  -6.691  -5.392
   50    H    ILE   8           H        ILE   8   2.938  -9.164  -4.690
   51    HA   ILE   8           HA       ILE   8   0.295 -10.037  -5.217
   52    HB   ILE   8           HB       ILE   8   0.590 -11.606  -3.419
   53   HG12  ILE   8          2HG1      ILE   8   3.007  -9.954  -2.654
   54   HG13  ILE   8          3HG1      ILE   8   1.513 -10.095  -1.735
   55   HG21  ILE   8          1HG2      ILE   8   2.028 -11.638  -5.631
   56   HG22  ILE   8          2HG2      ILE   8   3.359 -11.470  -4.488
   57   HG23  ILE   8          3HG2      ILE   8   2.261 -12.844  -4.365
   58   HD11  ILE   8          3HD1      ILE   8   2.026 -12.591  -1.630
   59   HD12  ILE   8          1HD1      ILE   8   3.647 -12.148  -2.164
   60   HD13  ILE   8          2HD1      ILE   8   3.011 -11.505  -0.650
   61    H    ILE   9           H        ILE   9  -0.946 -10.548  -2.889
   62    HA   ILE   9           HA       ILE   9  -1.382  -7.899  -1.672
   63    HB   ILE   9           HB       ILE   9  -3.687  -8.106  -1.745
   64   HG12  ILE   9          2HG1      ILE   9  -3.884 -10.328  -0.784
   65   HG13  ILE   9          3HG1      ILE   9  -4.871 -10.233  -2.239
   66   HG21  ILE   9          1HG2      ILE   9  -2.756  -9.499  -4.252
   67   HG22  ILE   9          2HG2      ILE   9  -4.289  -8.653  -4.044
   68   HG23  ILE   9          3HG2      ILE   9  -2.772  -7.756  -3.984
   69   HD11  ILE   9          3HD1      ILE   9  -2.958 -11.314  -3.463
   70   HD12  ILE   9          1HD1      ILE   9  -2.230 -11.612  -1.885
   71   HD13  ILE   9          2HD1      ILE   9  -3.793 -12.325  -2.284
   72    H    PHE  10           H        PHE  10  -0.156 -10.790  -1.051
   73    HA   PHE  10           HA       PHE  10  -1.439 -11.836   1.171
   74    HB2  PHE  10           2HB      PHE  10   0.525 -12.834  -0.057
   75    HB3  PHE  10           3HB      PHE  10   1.559 -11.710   0.820
   76    HD1  PHE  10           HD1      PHE  10   1.430 -11.789   3.394
   77    HD2  PHE  10           HD2      PHE  10   0.026 -14.900   0.851
   78    HE1  PHE  10           HE1      PHE  10   1.571 -13.378   5.267
   79    HE2  PHE  10           HE2      PHE  10   0.164 -16.494   2.720
   80    HZ   PHE  10           HZ       PHE  10   0.936 -15.734   4.932
   81    H    THR  11           H        THR  11   0.905  -9.201   0.973
   82    HA   THR  11           HA       THR  11   1.382  -8.791   3.677
   83    HB   THR  11           HB       THR  11   2.683  -7.604   2.033
   84    HG1  THR  11           HG1      THR  11   2.788  -5.733   3.144
   85   HG21  THR  11          3HG2      THR  11   0.851  -7.329   0.371
   86   HG22  THR  11          1HG2      THR  11   1.788  -5.858   0.631
   87   HG23  THR  11          2HG2      THR  11   0.194  -6.030   1.367
   88    H    ARG  12           H        ARG  12  -1.272  -7.629   1.654
   89    HA   ARG  12           HA       ARG  12  -2.437  -5.915   3.568
   90    HB2  ARG  12           2HB      ARG  12  -3.539  -7.324   1.144
   91    HB3  ARG  12           3HB      ARG  12  -4.535  -6.281   2.149
   92    HG2  ARG  12           2HG      ARG  12  -2.536  -4.593   1.724
   93    HG3  ARG  12           3HG      ARG  12  -2.343  -5.591   0.282
   94    HD2  ARG  12           2HD      ARG  12  -3.781  -3.734  -0.237
   95    HD3  ARG  12           3HD      ARG  12  -4.734  -5.218  -0.241
   96    HE   ARG  12           HE       ARG  12  -4.812  -3.927   2.294
   97   HH11  ARG  12          1HH1      ARG  12  -6.119  -3.820  -0.931
   98   HH12  ARG  12          2HH1      ARG  12  -7.594  -3.049  -0.448
   99   HH21  ARG  12          1HH2      ARG  12  -6.749  -2.912   2.943
  100   HH22  ARG  12          2HH2      ARG  12  -7.951  -2.533   1.756
  101    H    SER  13           H        SER  13  -3.192  -9.272   2.659
  102    HA   SER  13           HA       SER  13  -5.305  -9.698   4.411
  103    HB2  SER  13           2HB      SER  13  -4.727 -11.289   2.648
  104    HB3  SER  13           3HB      SER  13  -3.215 -11.677   3.469
  105    HG   SER  13           HG       SER  13  -4.332 -13.120   4.494
  106    H    GLN  14           H        GLN  14  -1.827  -9.980   4.952
  107    HA   GLN  14           HA       GLN  14  -1.934 -11.128   7.513
  108    HB2  GLN  14           2HB      GLN  14   0.098 -10.935   6.041
  109    HB3  GLN  14           3HB      GLN  14   0.189  -9.238   6.493
  110    HG2  GLN  14           2HG      GLN  14   1.693 -10.262   7.921
  111    HG3  GLN  14           3HG      GLN  14   0.244 -10.089   8.909
  112   HE21  GLN  14          1HE2      GLN  14   2.264 -11.893   9.504
  113   HE22  GLN  14          2HE2      GLN  14   1.655 -13.498   9.318
  114    H    LYS  15           H        LYS  15  -1.773  -7.735   6.485
  115    HA   LYS  15           HA       LYS  15  -1.661  -6.593   9.045
  116    HB2  LYS  15           2HB      LYS  15  -1.341  -5.527   6.687
  117    HB3  LYS  15           3HB      LYS  15  -3.076  -5.250   6.766
  118    HG2  LYS  15           2HG      LYS  15  -1.411  -4.386   9.069
  119    HG3  LYS  15           3HG      LYS  15  -1.346  -3.441   7.580
  120    HD2  LYS  15           2HD      LYS  15  -3.948  -4.199   8.880
  121    HD3  LYS  15           3HD      LYS  15  -3.063  -2.741   9.334
  122    HE2  LYS  15           2HE      LYS  15  -3.580  -3.231   6.448
  123    HE3  LYS  15           3HE      LYS  15  -4.931  -2.719   7.457
  124    HZ1  LYS  15           3HZ      LYS  15  -4.115  -0.706   6.844
  125    HZ2  LYS  15           1HZ      LYS  15  -2.520  -1.252   6.693
  126    HZ3  LYS  15           2HZ      LYS  15  -3.167  -0.946   8.225
  127    H    GLU  16           H        GLU  16  -4.401  -7.517   7.015
  128    HA   GLU  16           HA       GLU  16  -6.276  -6.641   9.075
  129    HB2  GLU  16           2HB      GLU  16  -6.747  -7.771   6.311
  130    HB3  GLU  16           3HB      GLU  16  -8.015  -7.243   7.408
  131    HG2  GLU  16           2HG      GLU  16  -5.854  -5.326   6.717
  132    HG3  GLU  16           3HG      GLU  16  -7.092  -5.677   5.512
  133    H    GLY  17           H        GLY  17  -5.584  -8.253  10.625
  134    HA2  GLY  17           2HA      GLY  17  -7.091 -10.727  10.293
  135    HA3  GLY  17           3HA      GLY  17  -5.361 -10.897  10.547
  136    H    LEU  18           H        LEU  18  -5.017 -11.540  12.565
  137    HA   LEU  18           HA       LEU  18  -6.789 -11.194  14.706
  138    HB2  LEU  18           2HB      LEU  18  -5.150 -12.948  14.727
  139    HB3  LEU  18           3HB      LEU  18  -3.834 -11.777  14.668
  140    HG   LEU  18           HG       LEU  18  -4.519 -10.995  16.935
  141   HD11  LEU  18          1HD1      LEU  18  -6.511 -13.190  16.569
  142   HD12  LEU  18          2HD1      LEU  18  -6.733 -11.570  17.229
  143   HD13  LEU  18          3HD1      LEU  18  -5.904 -12.803  18.179
  144   HD21  LEU  18          3HD2      LEU  18  -2.800 -12.325  17.419
  145   HD22  LEU  18          1HD2      LEU  18  -3.281 -13.511  16.205
  146   HD23  LEU  18          2HD2      LEU  18  -3.989 -13.566  17.819
  Start of MODEL   20
    1    H1   VAL   1           H        VAL   1   0.017   1.083  -0.767
    2    HA   VAL   1           HA       VAL   1  -0.049   0.984  -3.544
    3    HB   VAL   1           HB       VAL   1   2.447   0.916  -1.844
    4   HG11  VAL   1          1HG1      VAL   1   1.886   1.410  -4.708
    5   HG12  VAL   1          2HG1      VAL   1   3.080   2.455  -3.934
    6   HG13  VAL   1          3HG1      VAL   1   3.305   0.706  -3.933
    7   HG21  VAL   1          3HG2      VAL   1   0.386   2.914  -2.061
    8   HG22  VAL   1          1HG2      VAL   1   1.817   2.888  -1.031
    9   HG23  VAL   1          2HG2      VAL   1   1.920   3.537  -2.668
   10    H    PHE   2           H        PHE   2   1.487  -1.265  -1.262
   11    HA   PHE   2           HA       PHE   2   2.652  -2.984  -3.118
   12    HB2  PHE   2           2HB      PHE   2   2.642  -2.883  -0.433
   13    HB3  PHE   2           3HB      PHE   2   1.500  -4.202  -0.668
   14    HD1  PHE   2           HD1      PHE   2   4.937  -3.072  -1.436
   15    HD2  PHE   2           HD2      PHE   2   2.239  -6.356  -1.222
   16    HE1  PHE   2           HE1      PHE   2   6.814  -4.631  -1.755
   17    HE2  PHE   2           HE2      PHE   2   4.111  -7.920  -1.540
   18    HZ   PHE   2           HZ       PHE   2   6.403  -7.058  -1.806
   19    H    ALA   3           H        ALA   3  -0.565  -3.138  -1.618
   20    HA   ALA   3           HA       ALA   3  -1.442  -5.506  -2.800
   21    HB1  ALA   3           1HB      ALA   3  -2.905  -3.083  -1.803
   22    HB2  ALA   3           2HB      ALA   3  -3.758  -4.469  -2.484
   23    HB3  ALA   3           3HB      ALA   3  -2.752  -4.671  -1.050
   24    H    SER   4           H        SER   4  -1.866  -2.152  -3.919
   25    HA   SER   4           HA       SER   4  -3.251  -2.801  -6.284
   26    HB2  SER   4           2HB      SER   4  -1.538  -0.379  -5.676
   27    HB3  SER   4           3HB      SER   4  -2.686  -0.509  -7.009
   28    HG   SER   4           HG       SER   4  -4.329  -0.823  -5.407
   29    H    LEU   5           H        LEU   5   0.184  -2.390  -5.584
   30    HA   LEU   5           HA       LEU   5   1.241  -2.383  -8.131
   31    HB2  LEU   5           2HB      LEU   5   2.223  -3.420  -5.509
   32    HB3  LEU   5           3HB      LEU   5   3.163  -3.724  -6.969
   33    HG   LEU   5           HG       LEU   5   2.397  -0.986  -5.958
   34   HD11  LEU   5          1HD1      LEU   5   5.189  -1.449  -5.885
   35   HD12  LEU   5          2HD1      LEU   5   4.400  -2.777  -5.035
   36   HD13  LEU   5          3HD1      LEU   5   4.095  -1.111  -4.543
   37   HD21  LEU   5          3HD2      LEU   5   2.727  -1.068  -8.365
   38   HD22  LEU   5          1HD2      LEU   5   4.278  -1.876  -8.142
   39   HD23  LEU   5          2HD2      LEU   5   4.062  -0.216  -7.587
   40    HA   PRO   6           HA       PRO   6   0.595  -6.330  -9.937
   41    HB2  PRO   6           2HB      PRO   6   2.949  -6.767 -11.216
   42    HB3  PRO   6           3HB      PRO   6   1.765  -5.574 -11.764
   43    HG2  PRO   6           2HG      PRO   6   4.261  -5.167 -10.162
   44    HG3  PRO   6           3HG      PRO   6   3.630  -4.208 -11.513
   45    HD2  PRO   6           2HD      PRO   6   3.336  -3.454  -8.929
   46    HD3  PRO   6           3HD      PRO   6   2.129  -3.080 -10.177
   47    H    GLY   7           H        GLY   7   2.921  -5.888  -7.514
   48    HA2  GLY   7           2HA      GLY   7   4.176  -8.415  -7.465
   49    HA3  GLY   7           3HA      GLY   7   4.017  -7.323  -6.096
   50    H    ILE   8           H        ILE   8   2.737  -7.918  -4.465
   51    HA   ILE   8           HA       ILE   8   0.560  -9.804  -4.945
   52    HB   ILE   8           HB       ILE   8   1.240 -11.224  -3.046
   53   HG12  ILE   8          2HG1      ILE   8   2.786  -9.276  -2.178
   54   HG13  ILE   8          3HG1      ILE   8   3.202 -10.956  -1.859
   55   HG21  ILE   8          1HG2      ILE   8   3.175 -12.330  -4.211
   56   HG22  ILE   8          2HG2      ILE   8   1.753 -12.046  -5.212
   57   HG23  ILE   8          3HG2      ILE   8   3.156 -10.988  -5.354
   58   HD11  ILE   8          3HD1      ILE   8   4.977 -10.928  -3.282
   59   HD12  ILE   8          1HD1      ILE   8   4.271  -9.690  -4.320
   60   HD13  ILE   8          2HD1      ILE   8   4.974  -9.242  -2.765
   61    H    ILE   9           H        ILE   9  -0.396 -10.294  -2.548
   62    HA   ILE   9           HA       ILE   9  -0.716  -7.658  -1.266
   63    HB   ILE   9           HB       ILE   9  -3.038  -8.685  -0.609
   64   HG12  ILE   9          2HG1      ILE   9  -3.976 -10.094  -2.401
   65   HG13  ILE   9          3HG1      ILE   9  -2.401 -10.142  -3.185
   66   HG21  ILE   9          1HG2      ILE   9  -2.193  -7.331  -3.123
   67   HG22  ILE   9          2HG2      ILE   9  -3.874  -7.829  -2.948
   68   HG23  ILE   9          3HG2      ILE   9  -3.159  -6.718  -1.780
   69   HD11  ILE   9          3HD1      ILE   9  -3.012 -11.231  -0.448
   70   HD12  ILE   9          1HD1      ILE   9  -2.889 -12.183  -1.927
   71   HD13  ILE   9          2HD1      ILE   9  -1.472 -11.339  -1.301
   72    H    PHE  10           H        PHE  10   1.015 -10.068  -0.671
   73    HA   PHE  10           HA       PHE  10   0.125 -11.474   1.549
   74    HB2  PHE  10           2HB      PHE  10   2.691 -10.909   0.289
   75    HB3  PHE  10           3HB      PHE  10   2.830 -11.082   2.035
   76    HD1  PHE  10           HD2      PHE  10   0.987 -12.782  -0.734
   77    HD2  PHE  10           HD1      PHE  10   3.396 -13.175   2.753
   78    HE1  PHE  10           HE2      PHE  10   0.934 -15.230  -0.977
   79    HE2  PHE  10           HE1      PHE  10   3.347 -15.624   2.515
   80    HZ   PHE  10           HZ       PHE  10   2.114 -16.654   0.649
   81    H    THR  11           H        THR  11   1.845  -8.371   1.425
   82    HA   THR  11           HA       THR  11   2.138  -7.924   4.147
   83    HB   THR  11           HB       THR  11   3.210  -6.482   2.513
   84    HG1  THR  11           HG1      THR  11   2.935  -5.482   4.481
   85   HG21  THR  11          3HG2      THR  11   0.760  -4.930   1.943
   86   HG22  THR  11          1HG2      THR  11   0.894  -6.494   1.142
   87   HG23  THR  11          2HG2      THR  11   2.149  -5.276   0.912
   88    H    ARG  12           H        ARG  12  -0.632  -7.295   2.050
   89    HA   ARG  12           HA       ARG  12  -2.178  -5.873   3.933
   90    HB2  ARG  12           2HB      ARG  12  -2.659  -7.208   1.335
   91    HB3  ARG  12           3HB      ARG  12  -4.068  -7.001   2.366
   92    HG2  ARG  12           2HG      ARG  12  -3.798  -5.157   0.782
   93    HG3  ARG  12           3HG      ARG  12  -3.693  -4.613   2.457
   94    HD2  ARG  12           2HD      ARG  12  -1.233  -4.652   2.285
   95    HD3  ARG  12           3HD      ARG  12  -1.378  -5.123   0.592
   96    HE   ARG  12           HE       ARG  12  -1.898  -2.951   0.061
   97   HH11  ARG  12          1HH1      ARG  12  -2.103  -3.384   3.509
   98   HH12  ARG  12          2HH1      ARG  12  -2.283  -1.693   3.842
   99   HH21  ARG  12          1HH2      ARG  12  -2.134  -0.723   0.486
  100   HH22  ARG  12          2HH2      ARG  12  -2.301  -0.180   2.121
  101    H    SER  13           H        SER  13  -2.046  -9.313   3.082
  102    HA   SER  13           HA       SER  13  -4.130 -10.172   4.757
  103    HB2  SER  13           2HB      SER  13  -1.706 -11.599   3.658
  104    HB3  SER  13           3HB      SER  13  -2.938 -12.419   4.616
  105    HG   SER  13           HG       SER  13  -3.715 -12.673   2.636
  106    H    GLN  14           H        GLN  14  -0.648  -9.865   5.326
  107    HA   GLN  14           HA       GLN  14  -0.609 -10.990   7.901
  108    HB2  GLN  14           2HB      GLN  14   1.333 -10.299   6.274
  109    HB3  GLN  14           3HB      GLN  14   1.257  -8.775   7.148
  110    HG2  GLN  14           2HG      GLN  14   1.498 -11.378   8.603
  111    HG3  GLN  14           3HG      GLN  14   2.913 -10.568   7.933
  112   HE21  GLN  14          1HE2      GLN  14   3.517  -8.540   8.760
  113   HE22  GLN  14          2HE2      GLN  14   2.992  -8.011  10.318
  114    H    LYS  15           H        LYS  15  -0.853  -7.600   6.854
  115    HA   LYS  15           HA       LYS  15  -0.934  -6.405   9.364
  116    HB2  LYS  15           2HB      LYS  15  -0.804  -5.305   7.054
  117    HB3  LYS  15           3HB      LYS  15  -2.558  -5.437   7.017
  118    HG2  LYS  15           2HG      LYS  15  -1.302  -4.164   9.388
  119    HG3  LYS  15           3HG      LYS  15  -1.345  -3.260   7.872
  120    HD2  LYS  15           2HD      LYS  15  -3.781  -3.612   7.761
  121    HD3  LYS  15           3HD      LYS  15  -3.715  -4.459   9.308
  122    HE2  LYS  15           2HE      LYS  15  -2.621  -2.315  10.202
  123    HE3  LYS  15           3HE      LYS  15  -3.214  -1.557   8.726
  124    HZ1  LYS  15           3HZ      LYS  15  -4.759  -1.276  10.568
  125    HZ2  LYS  15           1HZ      LYS  15  -4.897  -2.954  10.736
  126    HZ3  LYS  15           2HZ      LYS  15  -5.457  -2.196   9.332
  127    H    GLU  16           H        GLU  16  -3.639  -7.547   7.352
  128    HA   GLU  16           HA       GLU  16  -5.749  -6.817   8.974
  129    HB2  GLU  16           2HB      GLU  16  -5.631  -8.063   6.641
  130    HB3  GLU  16           3HB      GLU  16  -5.839  -9.489   7.648
  131    HG2  GLU  16           2HG      GLU  16  -7.814  -8.065   8.655
  132    HG3  GLU  16           3HG      GLU  16  -7.726  -7.269   7.085
  133    H    GLY  17           H        GLY  17  -6.896  -7.802  10.643
  134    HA2  GLY  17           2HA      GLY  17  -6.325 -10.323  11.746
  135    HA3  GLY  17           3HA      GLY  17  -5.379  -9.118  12.606
  136    H    LEU  18           H        LEU  18  -7.103 -10.492  14.087
  137    HA   LEU  18           HA       LEU  18  -9.545  -8.883  14.310
  138    HB2  LEU  18           2HB      LEU  18  -8.757 -11.522  15.529
  139    HB3  LEU  18           3HB      LEU  18 -10.245 -10.665  15.923
  140    HG   LEU  18           HG       LEU  18  -9.628 -11.443  13.095
  141   HD11  LEU  18          1HD1      LEU  18 -10.442 -13.196  15.342
  142   HD12  LEU  18          2HD1      LEU  18  -9.509 -13.567  13.892
  143   HD13  LEU  18          3HD1      LEU  18 -11.263 -13.411  13.796
  144   HD21  LEU  18          3HD2      LEU  18 -11.475 -10.109  13.032
  145   HD22  LEU  18          1HD2      LEU  18 -11.981 -10.539  14.666
  146   HD23  LEU  18          2HD2      LEU  18 -12.256 -11.662  13.333