*HEADER    BIOSYNTHETIC PROTEIN                    14-DEC-17   6BVY              
*TITLE     SFTI-HFRW-4                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TRYPSIN INHIBITOR 1 HFRW-4;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_COMMON: COMMON SUNFLOWER;                                   
*SOURCE   5 ORGANISM_TAXID: 4232                                                 
*KEYWDS    MELANOCORTIN, CYCLIC PEPTIDE, GRAFTING, PHARMACOPHORE, BIOSYNTHETIC   
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.I.SCHROEDER,A.WHITE                                                 
*REVDAT   2   15-NOV-23 6BVY    1                                                
*REVDAT   1   18-APR-18 6BVY    0                                                
# Restraints file 1: restraints.tbl
!Distance restraints
assign (resid 2     and name HN   ) (resid 2     and name HB   )    3.87    3.87    0.00
assign (resid 2     and name HN   ) (resid 2     and name QG2  )    3.25    3.25    0.00
assign (resid 2     and name HA   ) (resid 3     and name HN   )    2.89    2.89    0.00
assign (resid 2     and name HB   ) (resid 3     and name HN   )    3.29    3.29    0.00
assign (resid 3     and name HA   ) (resid 4     and name HN   )    3.50    3.50    0.00
assign (resid 4     and name HA   ) (resid 5     and name HN   )    3.02    3.02    0.00
assign (resid 5     and name HN   ) (resid 5     and name HG12 )    4.70    4.70    0.00
assign (resid 14    and name HN   ) (resid 14    and name HD2  )    5.50    5.50    0.00
assign (resid 14    and name HN   ) (resid 14    and name HD1  )    5.50    5.50    0.00
assign (resid 13    and name HA   ) (resid 14    and name HN   )    3.04    3.04    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB1  )    4.07    4.07    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB2  )    3.24    3.24    0.00
assign (resid 13    and name HB1  ) (resid 14    and name HN   )    3.04    3.04    0.00
assign (resid 13    and name HB2  ) (resid 14    and name HN   )    4.23    4.23    0.00
assign (resid 1     and name HA   ) (resid 2     and name HN   )    2.80    2.80    0.00
assign (resid 5     and name HA   ) (resid 6     and name HA   )    3.71    3.71    0.00
assign (resid 5     and name HA   ) (resid 7     and name HD2  )    4.09    4.09    0.00
assign (resid 5     and name HA   ) (resid 7     and name HD1  )    4.09    4.09    0.00
assign (resid 6     and name HA   ) (resid 7     and name HD2  )    3.02    3.02    0.00
assign (resid 6     and name HA   ) (resid 7     and name HD1  )    3.02    3.02    0.00
assign (resid 6     and name HB2  ) (resid 7     and name HD2  )    4.42    4.42    0.00
assign (resid 6     and name HB2  ) (resid 7     and name HD1  )    4.42    4.42    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG12 )    4.18    4.18    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG11 )    4.18    4.18    0.00
assign (resid 8     and name HN   ) (resid 8     and name QD1  )    4.85    4.85    0.00
assign (resid 8     and name HN   ) (resid 8     and name QG2  )    4.62    4.62    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB   )    3.30    3.30    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    2.81    2.81    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    2.78    2.78    0.00
assign (resid 1     and name HN   ) (resid 14    and name HA   )    3.21    3.21    0.00
assign (resid 12    and name HB2  ) (resid 12    and name HE   )    5.50    5.50    0.00
assign (resid 12    and name HB1  ) (resid 12    and name HE   )    5.50    5.50    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB   )    3.45    3.45    0.00
assign (resid 13    and name HB2  ) (resid 13    and name HD1  )    3.53    3.53    0.00
assign (resid 13    and name HB1  ) (resid 13    and name HE3  )    3.96    3.96    0.00
assign (resid 13    and name HA   ) (resid 13    and name HE3  )    3.48    3.48    0.00
assign (resid 13    and name HA   ) (resid 13    and name HD1  )    4.22    4.22    0.00
assign (resid 2     and name HN   ) (resid 9     and name HA   )    4.16    4.16    0.00
assign (resid 2     and name HN   ) (resid 10    and name QN   )    4.83    4.83    0.00
assign (resid 2     and name HN   ) (resid 8     and name HB   )    4.52    4.52    0.00
assign (resid 8     and name QG2  ) (resid 9     and name HN   )    3.86    3.86    0.00
assign (resid 2     and name HN   ) (resid 8     and name HN   )    3.49    3.49    0.00
assign (resid 3     and name HN   ) (resid 4     and name HN   )    4.10    4.10    0.00
assign (resid 7     and name HB2  ) (resid 8     and name HN   )    4.36    4.36    0.00
assign (resid 7     and name HB1  ) (resid 8     and name HN   )    4.36    4.36    0.00
assign (resid 2     and name HB   ) (resid 8     and name HN   )    4.59    4.59    0.00
assign (resid 10    and name QN   ) (resid 13    and name HN   )    3.60    3.60    0.00
assign (resid 12    and name QN   ) (resid 13    and name HN   )    3.72    3.72    0.00
assign (resid 4     and name HN   ) (resid 7     and name HA   )    3.82    3.82    0.00
assign (resid 3     and name QB   ) (resid 4     and name HN   )    4.27    4.27    0.00
assign (resid 10    and name QN   ) (resid 13    and name HD1  )    4.56    4.56    0.00
assign (resid 10    and name HB1  ) (resid 13    and name HD1  )    4.60    4.60    0.00
assign (resid 10    and name HB2  ) (resid 13    and name HD1  )    4.60    4.60    0.00
assign (resid 12    and name QN   ) (resid 13    and name HD1  )    3.66    3.66    0.00
assign (resid 11    and name QD   ) (resid 12    and name QN   )    3.74    3.74    0.00
assign (resid 10    and name QN   ) (resid 10    and name HD2  )    4.62    4.62    0.00
assign (resid 11    and name QD   ) (resid 12    and name HG2  )    4.50    4.50    0.00
assign (resid 11    and name QD   ) (resid 12    and name HG1  )    4.50    4.50    0.00
assign (resid 11    and name QE   ) (resid 12    and name HG1  )    4.64    4.64    0.00
assign (resid 11    and name QE   ) (resid 12    and name HG2  )    4.64    4.64    0.00
assign (resid 11    and name HA   ) (resid 11    and name QD   )    4.21    4.21    0.00
assign (resid 4     and name HN   ) (resid 8     and name HN   )    4.81    4.81    0.00
assign (resid 9     and name HA   ) (resid 10    and name QN   )    3.35    3.35    0.00
assign (resid 1     and name HA   ) (resid 10    and name QN   )    4.56    4.56    0.00
assign (resid 1     and name HA   ) (resid 9     and name HA   )    3.89    3.89    0.00
assign (resid 5     and name HA   ) (resid 5     and name QG2  )    4.05    4.05    0.00
assign (resid 2     and name HA   ) (resid 2     and name QG2  )    3.76    3.76    0.00
assign (resid 8     and name HA   ) (resid 8     and name QG2  )    4.01    4.01    0.00
assign (resid 8     and name HA   ) (resid 8     and name QD1  )    4.54    4.54    0.00
assign (resid 8     and name QG2  ) (resid 8     and name QD1  )    2.47    2.47    0.00
assign (resid 10    and name QN   ) (resid 13    and name HB1  )    4.32    4.32    0.00
assign (resid 10    and name QN   ) (resid 13    and name HB2  )    4.95    4.95    0.00
assign (resid 8     and name QG2  ) (resid 10    and name QN   )    4.89    4.89    0.00
assign (resid 12    and name QN   ) (resid 13    and name HE1  )    4.40    4.40    0.00
assign (resid 6     and name HB1  ) (resid 7     and name HD1  )    4.42    4.42    0.00
assign (resid 6     and name HB1  ) (resid 7     and name HD2  )    4.42    4.42    0.00
assign (resid 3     and name HN   ) (resid 3     and name QB   )    3.19    3.19    0.00
assign (resid 5     and name HN   ) (resid 5     and name HG11 )    4.70    4.70    0.00
assign (resid 5     and name HN   ) (resid 5     and name QG2  )    4.54    4.54    0.00
assign (resid 5     and name HN   ) (resid 5     and name QD1  )    5.01    5.01    0.00
assign (resid 14    and name HN   ) (resid 14    and name HG2  )    4.00    4.00    0.00
assign (resid 14    and name HN   ) (resid 14    and name HG1  )    4.00    4.00    0.00
assign (resid 1     and name HN   ) (resid 1     and name QB   )    3.07    3.07    0.00
assign (resid 1     and name HN   ) (resid 14    and name QB   )    3.95    3.95    0.00
assign (resid 1     and name QB   ) (resid 2     and name HN   )    3.23    3.23    0.00
assign (resid 1     and name QB   ) (resid 7     and name QB   )    3.92    3.92    0.00
assign (resid 1     and name QB   ) (resid 8     and name HN   )    4.64    4.64    0.00
assign (resid 4     and name HN   ) (resid 4     and name QB   )    3.54    3.54    0.00
assign (resid 4     and name QB   ) (resid 5     and name HN   )    3.08    3.08    0.00
assign (resid 5     and name HN   ) (resid 5     and name QG1  )    4.04    4.04    0.00
assign (resid 5     and name HA   ) (resid 7     and name QD   )    3.38    3.38    0.00
assign (resid 5     and name QG2  ) (resid 5     and name QG1  )    3.32    3.32    0.00
assign (resid 5     and name QG2  ) (resid 7     and name QD   )    5.35    5.35    0.00
assign (resid 5     and name QD1  ) (resid 7     and name QD   )    5.35    5.35    0.00
assign (resid 6     and name HA   ) (resid 7     and name QD   )    2.60    2.60    0.00
assign (resid 6     and name QB   ) (resid 7     and name QD   )    3.21    3.21    0.00
assign (resid 7     and name QB   ) (resid 8     and name HN   )    3.82    3.82    0.00
assign (resid 8     and name HN   ) (resid 8     and name QG1  )    3.56    3.56    0.00
assign (resid 9     and name HN   ) (resid 9     and name QB   )    3.23    3.23    0.00
assign (resid 10    and name QB   ) (resid 13    and name HD1  )    3.83    3.83    0.00
assign (resid 11    and name HN   ) (resid 11    and name QB   )    3.62    3.62    0.00
assign (resid 11    and name QE   ) (resid 12    and name QG   )    4.06    4.06    0.00
assign (resid 12    and name QN   ) (resid 12    and name QB   )    2.93    2.93    0.00
assign (resid 12    and name QN   ) (resid 12    and name QG   )    3.48    3.48    0.00
assign (resid 14    and name HN   ) (resid 14    and name QB   )    2.75    2.75    0.00
assign (resid 14    and name HA   ) (resid 14    and name QG   )    3.54    3.54    0.00
!Dihedral restraints
assign (resid 1     and name C    ) (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    )    1.0 -113.8   26.3 2
assign (resid 2     and name N    ) (resid 2     and name CA   ) (resid 2     and name C    ) (resid 3     and name N    )    1.0  138.6   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0  -79.5   27.4 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  146.7   24.4 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0 -101.5   40.9 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0  136.9   32.9 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  149.5   21.1 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  144.7   20.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -92.0   31.5 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  127.2   20.0 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -121.0   22.8 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  143.2   23.8 2
assign (resid 1     and name N    ) (resid 1     and name CA   ) (resid 1     and name CB   ) (resid 1     and name SG   )    1.0  -60.0   30.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name CB   ) (resid 4     and name OG   )    1.0   60.0   30.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name CB   ) (resid 9     and name SG   )    1.0  -60.0   30.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name CB   ) (resid 12    and name CG   )    1.0  -60.0   30.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name CB   ) (resid 13    and name CG   )    1.0  -60.0   30.0 2
!H-bonds
assign (resid 2     and name O    ) (resid 4     and name HN   )    2.00    2.00    0.00
assign (resid 2     and name O    ) (resid 4     and name N    )    3.00    3.00    0.00
assign (resid 2     and name OG1  ) (resid 8     and name HN   )    2.00    2.00    0.00
assign (resid 2     and name OG1  ) (resid 8     and name N    )    3.00    3.00    0.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H        CYS   1   0.078   2.621  -3.915
    2    HA   CYS   1           HA       CYS   1   0.287   0.124  -2.400
    3    HB3  CYS   1          2HB       CYS   1  -1.921   1.098  -1.385
    4    H    THR   2           H        THR   2  -1.963  -0.970  -2.092
    5    HA   THR   2           HA       THR   2  -2.857  -1.714  -4.752
    6    HB   THR   2           HB       THR   2  -4.160  -3.476  -3.574
    7    HG1  THR   2          1HG       THR   2  -2.812  -2.739  -1.200
    8   HG21  THR   2          1HG2      THR   2  -2.054  -4.586  -2.517
    9   HG22  THR   2          2HG2      THR   2  -1.209  -3.178  -3.164
   10   HG23  THR   2          3HG2      THR   2  -2.084  -4.258  -4.249
   11    H    ALA   3           H        ALA   3  -5.029  -1.699  -5.434
   12    HA   ALA   3           HA       ALA   3  -6.543   0.549  -4.434
   13    HB1  ALA   3          1HB       ALA   3  -7.050  -1.355  -6.715
   14    HB2  ALA   3          2HB       ALA   3  -8.072   0.028  -6.322
   15    HB3  ALA   3          3HB       ALA   3  -6.398   0.281  -6.814
   16    H    SER   4           H        SER   4  -6.514  -1.078  -2.367
   17    HA   SER   4           HA       SER   4  -9.029  -2.602  -2.429
   18    HB3  SER   4          2HB       SER   4  -7.533  -4.140  -1.619
   19    HG   SER   4           HG       SER   4  -5.583  -3.414  -1.376
   20    H    ILE   5           H        ILE   5 -10.158  -2.627  -0.215
   21    HA   ILE   5           HA       ILE   5 -10.011  -0.028   1.127
   22    HB   ILE   5           HB       ILE   5 -12.578  -1.189   0.035
   23   HG13  ILE   5          2HG1      ILE   5 -12.642   0.782  -1.395
   24   HG21  ILE   5          1HG2      ILE   5 -13.165  -0.176   2.053
   25   HG22  ILE   5          2HG2      ILE   5 -11.998   1.129   1.844
   26   HG23  ILE   5          3HG2      ILE   5 -13.456   1.081   0.851
   27   HD11  ILE   5          1HD1      ILE   5 -11.521   2.608  -0.844
   28   HD12  ILE   5          2HD1      ILE   5 -10.520   1.726   0.311
   29   HD13  ILE   5          3HD1      ILE   5 -10.061   1.786  -1.391
   30    HA   PRO   6           HA       PRO   6  -9.352   0.498   2.801
   31    HB3  PRO   6          2HB       PRO   6  -9.040   0.441   5.078
   32    HG3  PRO   6          2HG       PRO   6  -9.128  -1.564   6.250
   33    HD3  PRO   6          2HD       PRO   6 -11.086  -1.724   5.043
   34    HA   PRO   7           HA       PRO   7  -6.091  -0.772   0.138
   35    HB3  PRO   7          2HB       PRO   7  -5.528   1.444  -0.090
   36    HG3  PRO   7          2HG       PRO   7  -5.621   2.898   1.722
   37    HD3  PRO   7          2HD       PRO   7  -7.709   1.933   1.880
   38    H    ILE   8           H        ILE   8  -4.059  -1.841  -0.002
   39    HA   ILE   8           HA       ILE   8  -3.060  -2.861   2.578
   40    HB   ILE   8           HB       ILE   8  -3.092  -4.349  -0.048
   41   HG13  ILE   8          2HG1      ILE   8  -5.354  -3.987   0.974
   42   HG21  ILE   8          1HG2      ILE   8  -1.241  -4.986   1.388
   43   HG22  ILE   8          2HG2      ILE   8  -2.349  -5.231   2.737
   44   HG23  ILE   8          3HG2      ILE   8  -2.438  -6.279   1.321
   45   HD11  ILE   8          1HD1      ILE   8  -4.996  -5.991  -0.359
   46   HD12  ILE   8          2HD1      ILE   8  -4.408  -6.841   1.072
   47   HD13  ILE   8          3HD1      ILE   8  -6.086  -6.302   0.992
   48    H    CYS   9           H        CYS   9  -1.146  -1.975   2.987
   49    HA   CYS   9           HA       CYS   9   0.846  -1.909   0.823
   50    HB3  CYS   9          2HB       CYS   9   1.520   0.267   1.300
   51    HA   E9V  10           HA       NHI  10   3.353  -3.202   4.207
   52    HB2  E9V  10          2HB       NHI  10   5.339  -3.204   1.931
   53    HB3  E9V  10          3HB       NHI  10   5.314  -4.268   3.336
   54    HD1  E9V  10          1HD       NHI  10   2.866  -5.696   3.422
   55    HD2  E9V  10          2HD       NHI  10   4.356  -4.442  -0.248
   56    HE1  E9V  10          1HE       NHI  10   1.744  -7.153   1.707
   57    HN3  E9V  10          3HN       NHI  10   4.083  -2.033   0.831
   58    HN1  E9V  10           H        NHI  10   3.524  -0.466   1.461
   59    HN2  E9V  10          2HN       NHI  10   2.405  -1.510   0.555
   60    H    DPN  11           H        DPH  11   3.396  -0.214   3.457
   61    HA   DPN  11           HA       DPH  11   6.030   0.442   4.587
   62    HB2  DPN  11          2HB       DPH  11   4.243   0.487   6.343
   63    HB3  DPN  11          3HB       DPH  11   3.437   1.753   5.422
   64    HD1  DPN  11          1HD       DPH  11   6.712   0.953   6.999
   65    HD2  DPN  11          2HD       DPH  11   3.925   3.963   5.867
   66    HE1  DPN  11          1HE       DPH  11   8.083   2.647   8.142
   67    HE2  DPN  11          2HE       DPH  11   5.290   5.661   7.009
   68    HZ   DPN  11           HZ       DPH  11   7.372   5.004   8.150
   69    HA   MMO  12           HA       NAR  12   5.220   3.338   1.281
   70   HCB1  MMO  12          2HB       NAR  12   8.190   2.781   1.258
   71   HCB2  MMO  12          3HB       NAR  12   7.387   4.236   0.681
   72   HCG1  MMO  12          2HG       NAR  12   6.665   4.741   2.962
   73   HCG2  MMO  12          3HG       NAR  12   7.478   3.284   3.536
   74   HCD1  MMO  12          2HD       NAR  12   9.586   4.160   3.182
   75   HCD2  MMO  12          3HD       NAR  12   9.014   5.312   1.975
   76   HH21  MMO  12          1HH2      NAR  12   8.699   7.672   5.708
   77   HH22  MMO  12          2HH2      NAR  12  10.412   7.918   5.749
   78   HH11  MMO  12          1HH1      NAR  12  11.106   5.517   3.304
   79    HC1  MMO  12          2HN       NAR  12   7.275   0.313   3.121
   80    HC2  MMO  12          3HN       NAR  12   7.303   0.429   1.346
   81    HC3  MMO  12           H        NAR  12   5.968  -0.422   2.160
   82    HE   MMO  12           HE       NAR  12   7.821   6.118   4.288
   83   HH12  MMO  12          2HH1      NAR  12  11.782   6.693   4.381
   84    H    TRP  13           H        TRP  13   4.072   2.217  -0.285
   85    HA   TRP  13           HA       TRP  13   5.634   1.435  -2.602
   86    HB3  TRP  13          2HB       TRP  13   4.062  -0.662  -2.768
   87    HD1  TRP  13           HD       TRP  13   5.924  -1.382   0.399
   88    HE1  TRP  13          1HE       TRP  13   8.170  -2.515  -0.147
   89    HE3  TRP  13          3HE       TRP  13   6.009  -0.616  -4.655
   90    HZ2  TRP  13          2HZ       TRP  13   9.766  -3.017  -2.421
   91    HZ3  TRP  13          3HZ       TRP  13   7.932  -1.454  -5.942
   92    HH2  TRP  13           HH       TRP  13   9.770  -2.628  -4.846
   93    H    ARG  14           H        ARG  14   4.298   1.177  -4.540
   94    HA   ARG  14           HA       ARG  14   2.313   3.203  -4.698
   95    HB3  ARG  14          2HB       ARG  14   1.981   2.116  -7.042
   96    HG3  ARG  14          2HG       ARG  14   3.343   4.166  -6.582
   97    HD3  ARG  14          2HD       ARG  14   5.088   3.232  -5.204
   98    HE   ARG  14           HE       ARG  14   5.859   1.175  -5.811
   99   HH11  ARG  14          1HH2      ARG  14   6.843  -0.380  -7.157
  100   HH12  ARG  14          2HH2      ARG  14   7.106  -0.015  -8.830
  101   HH21  ARG  14          1HH1      ARG  14   5.725   3.192  -8.646
  102   HH22  ARG  14          2HH1      ARG  14   6.471   2.016  -9.676
  Start of MODEL    2
    1    H1   CYS   1           H        CYS   1   0.507   2.674  -3.508
    2    HA   CYS   1           HA       CYS   1   0.278   0.124  -2.388
    3    HB3  CYS   1          2HB       CYS   1  -1.927   1.171  -1.423
    4    H    THR   2           H        THR   2  -1.956  -0.960  -2.103
    5    HA   THR   2           HA       THR   2  -2.870  -1.678  -4.763
    6    HB   THR   2           HB       THR   2  -4.172  -3.444  -3.593
    7    HG1  THR   2          1HG       THR   2  -2.811  -2.735  -1.219
    8   HG21  THR   2          1HG2      THR   2  -1.897  -4.354  -2.400
    9   HG22  THR   2          2HG2      THR   2  -1.252  -3.141  -3.504
   10   HG23  THR   2          3HG2      THR   2  -2.237  -4.465  -4.126
   11    H    ALA   3           H        ALA   3  -5.040  -1.636  -5.441
   12    HA   ALA   3           HA       ALA   3  -6.540   0.605  -4.404
   13    HB1  ALA   3          1HB       ALA   3  -6.224  -0.024  -6.872
   14    HB2  ALA   3          2HB       ALA   3  -7.479  -1.230  -6.582
   15    HB3  ALA   3          3HB       ALA   3  -7.828   0.483  -6.344
   16    H    SER   4           H        SER   4  -6.515  -1.050  -2.360
   17    HA   SER   4           HA       SER   4  -9.036  -2.563  -2.441
   18    HB3  SER   4          2HB       SER   4  -7.546  -4.117  -1.654
   19    HG   SER   4           HG       SER   4  -5.667  -2.965  -1.689
   20    H    ILE   5           H        ILE   5 -10.162  -2.612  -0.225
   21    HA   ILE   5           HA       ILE   5 -10.003  -0.034   1.151
   22    HB   ILE   5           HB       ILE   5 -12.583  -1.167   0.061
   23   HG13  ILE   5          2HG1      ILE   5 -10.700   0.930  -0.881
   24   HG21  ILE   5          1HG2      ILE   5 -13.466  -0.081   1.809
   25   HG22  ILE   5          2HG2      ILE   5 -11.978   0.807   2.128
   26   HG23  ILE   5          3HG2      ILE   5 -13.099   1.383   0.896
   27   HD11  ILE   5          1HD1      ILE   5 -12.617   0.026  -2.804
   28   HD12  ILE   5          2HD1      ILE   5 -10.862  -0.163  -2.793
   29   HD13  ILE   5          3HD1      ILE   5 -11.883  -1.351  -1.982
   30    HA   PRO   6           HA       PRO   6  -9.339   0.466   2.833
   31    HB3  PRO   6          2HB       PRO   6  -9.026   0.376   5.108
   32    HG3  PRO   6          2HG       PRO   6  -9.125  -1.646   6.253
   33    HD3  PRO   6          2HD       PRO   6 -11.084  -1.779   5.045
   34    HA   PRO   7           HA       PRO   7  -6.087  -0.781   0.150
   35    HB3  PRO   7          2HB       PRO   7  -5.514   1.435  -0.047
   36    HG3  PRO   7          2HG       PRO   7  -5.600   2.864   1.785
   37    HD3  PRO   7          2HD       PRO   7  -7.692   1.907   1.931
   38    H    ILE   8           H        ILE   8  -4.047  -1.844  -0.005
   39    HA   ILE   8           HA       ILE   8  -3.057  -2.909   2.560
   40    HB   ILE   8           HB       ILE   8  -3.094  -4.361  -0.090
   41   HG13  ILE   8          2HG1      ILE   8  -5.355  -4.004   0.936
   42   HG21  ILE   8          1HG2      ILE   8  -1.250  -5.064   1.285
   43   HG22  ILE   8          2HG2      ILE   8  -2.307  -5.237   2.685
   44   HG23  ILE   8          3HG2      ILE   8  -2.486  -6.320   1.305
   45   HD11  ILE   8          1HD1      ILE   8  -4.500  -6.226  -0.252
   46   HD12  ILE   8          2HD1      ILE   8  -4.883  -6.889   1.336
   47   HD13  ILE   8          3HD1      ILE   8  -6.128  -6.055   0.405
   48    H    CYS   9           H        CYS   9  -1.165  -1.965   2.967
   49    HA   CYS   9           HA       CYS   9   0.844  -1.917   0.820
   50    HB3  CYS   9          2HB       CYS   9   1.508   0.267   1.289
   51    HA   E9V  10           HA       NHI  10   3.334  -3.176   4.228
   52    HB2  E9V  10          2HB       NHI  10   5.344  -3.184   1.975
   53    HB3  E9V  10          3HB       NHI  10   5.298  -4.247   3.377
   54    HD1  E9V  10          1HD       NHI  10   2.608  -5.440   3.375
   55    HD2  E9V  10          2HD       NHI  10   4.631  -4.651  -0.168
   56    HE1  E9V  10          1HE       NHI  10   1.570  -6.954   1.657
   57    HN3  E9V  10          3HN       NHI  10   4.081  -2.028   0.849
   58    HN1  E9V  10           H        NHI  10   3.512  -0.458   1.463
   59    HN2  E9V  10          2HN       NHI  10   2.403  -1.514   0.557
   60    H    DPN  11           H        DPH  11   3.369  -0.192   3.456
   61    HA   DPN  11           HA       DPH  11   5.993   0.483   4.601
   62    HB2  DPN  11          2HB       DPH  11   4.157   0.529   6.328
   63    HB3  DPN  11          3HB       DPH  11   3.405   1.824   5.401
   64    HD1  DPN  11          1HD       DPH  11   6.637   0.926   7.020
   65    HD2  DPN  11          2HD       DPH  11   3.930   4.013   5.892
   66    HE1  DPN  11          1HE       DPH  11   8.027   2.575   8.205
   67    HE2  DPN  11          2HE       DPH  11   5.316   5.666   7.077
   68    HZ   DPN  11           HZ       DPH  11   7.368   4.947   8.234
   69    HA   MMO  12           HA       NAR  12   5.198   3.349   1.267
   70   HCB1  MMO  12          2HB       NAR  12   8.171   2.799   1.311
   71   HCB2  MMO  12          3HB       NAR  12   7.385   4.229   0.656
   72   HCG1  MMO  12          2HG       NAR  12   6.542   4.734   2.941
   73   HCG2  MMO  12          3HG       NAR  12   7.510   3.387   3.540
   74   HCD1  MMO  12          2HD       NAR  12   9.518   4.497   2.548
   75   HCD2  MMO  12          3HD       NAR  12   8.499   5.888   2.182
   76   HH21  MMO  12          1HH2      NAR  12   9.304   6.539   6.474
   77   HH22  MMO  12          2HH2      NAR  12  10.328   7.829   5.939
   78   HH11  MMO  12          1HH1      NAR  12  10.111   6.981   2.552
   79    HC1  MMO  12          2HN       NAR  12   7.249   0.347   3.147
   80    HC2  MMO  12          3HN       NAR  12   7.293   0.449   1.372
   81    HC3  MMO  12           H        NAR  12   5.955  -0.399   2.181
   82    HE   MMO  12           HE       NAR  12   8.422   5.097   4.944
   83   HH12  MMO  12          2HH1      NAR  12  10.786   8.082   3.708
   84    H    TRP  13           H        TRP  13   4.070   2.209  -0.301
   85    HA   TRP  13           HA       TRP  13   5.661   1.410  -2.595
   86    HB3  TRP  13          2HB       TRP  13   4.076  -0.681  -2.759
   87    HD1  TRP  13           HD       TRP  13   5.924  -1.372   0.429
   88    HE1  TRP  13          1HE       TRP  13   8.163  -2.526  -0.098
   89    HE3  TRP  13          3HE       TRP  13   6.023  -0.682  -4.637
   90    HZ2  TRP  13          2HZ       TRP  13   9.761  -3.071  -2.362
   91    HZ3  TRP  13          3HZ       TRP  13   7.942  -1.548  -5.909
   92    HH2  TRP  13           HH       TRP  13   9.772  -2.717  -4.792
   93    H    ARG  14           H        ARG  14   4.310   1.070  -4.536
   94    HA   ARG  14           HA       ARG  14   2.364   3.132  -4.765
   95    HB3  ARG  14          2HB       ARG  14   2.084   2.280  -7.083
   96    HG3  ARG  14          2HG       ARG  14   5.005   2.353  -6.380
   97    HD3  ARG  14          2HD       ARG  14   3.611   3.500  -8.780
   98    HE   ARG  14           HE       ARG  14   6.307   2.614  -9.049
   99   HH11  ARG  14          1HH2      ARG  14   7.945   4.185  -9.286
  100   HH12  ARG  14          2HH2      ARG  14   7.618   5.829  -8.854
  101   HH21  ARG  14          1HH1      ARG  14   4.317   5.218  -7.871
  102   HH22  ARG  14          2HH1      ARG  14   5.555   6.418  -8.049
  Start of MODEL    3
    1    H1   CYS   1           H        CYS   1  -0.223   2.481  -4.108
    2    HA   CYS   1           HA       CYS   1   0.312   0.129  -2.414
    3    HB3  CYS   1          2HB       CYS   1  -1.888   0.860  -1.251
    4    H    THR   2           H        THR   2  -1.995  -1.002  -2.039
    5    HA   THR   2           HA       THR   2  -2.815  -1.830  -4.697
    6    HB   THR   2           HB       THR   2  -4.126  -3.575  -3.494
    7    HG1  THR   2          1HG       THR   2  -2.813  -2.756  -1.125
    8   HG21  THR   2          1HG2      THR   2  -1.201  -3.312  -2.795
    9   HG22  THR   2          2HG2      THR   2  -1.897  -4.128  -4.196
   10   HG23  THR   2          3HG2      THR   2  -2.141  -4.786  -2.579
   11    H    ALA   3           H        ALA   3  -4.994  -1.913  -5.398
   12    HA   ALA   3           HA       ALA   3  -6.553   0.361  -4.529
   13    HB1  ALA   3          1HB       ALA   3  -7.607  -1.553  -6.540
   14    HB2  ALA   3          2HB       ALA   3  -7.660   0.209  -6.516
   15    HB3  ALA   3          3HB       ALA   3  -6.167  -0.622  -6.955
   16    H    SER   4           H        SER   4  -6.512  -1.174  -2.386
   17    HA   SER   4           HA       SER   4  -9.010  -2.728  -2.395
   18    HB3  SER   4          2HB       SER   4  -7.504  -4.210  -1.507
   19    HG   SER   4           HG       SER   4  -5.557  -3.558  -1.112
   20    H    ILE   5           H        ILE   5 -10.152  -2.666  -0.188
   21    HA   ILE   5           HA       ILE   5 -10.045  -0.008   1.035
   22    HB   ILE   5           HB       ILE   5 -12.606  -1.246   0.021
   23   HG13  ILE   5          2HG1      ILE   5 -10.742   0.788  -1.085
   24   HG21  ILE   5          1HG2      ILE   5 -11.994   1.081   1.766
   25   HG22  ILE   5          2HG2      ILE   5 -13.345   1.205   0.644
   26   HG23  ILE   5          3HG2      ILE   5 -13.318  -0.079   1.852
   27   HD11  ILE   5          1HD1      ILE   5 -10.816  -0.664  -2.753
   28   HD12  ILE   5          2HD1      ILE   5 -12.178  -1.523  -2.033
   29   HD13  ILE   5          3HD1      ILE   5 -12.465  -0.117  -3.058
   30    HA   PRO   6           HA       PRO   6  -9.398   0.600   2.688
   31    HB3  PRO   6          2HB       PRO   6  -9.098   0.651   4.966
   32    HG3  PRO   6          2HG       PRO   6  -9.170  -1.300   6.229
   33    HD3  PRO   6          2HD       PRO   6 -11.120  -1.538   5.020
   34    HA   PRO   7           HA       PRO   7  -6.111  -0.750   0.099
   35    HB3  PRO   7          2HB       PRO   7  -5.575   1.459  -0.230
   36    HG3  PRO   7          2HG       PRO   7  -5.696   2.994   1.512
   37    HD3  PRO   7          2HD       PRO   7  -7.771   2.012   1.706
   38    H    ILE   8           H        ILE   8  -4.074  -1.809   0.018
   39    HA   ILE   8           HA       ILE   8  -3.063  -2.682   2.646
   40    HB   ILE   8           HB       ILE   8  -3.102  -4.308   0.102
   41   HG13  ILE   8          2HG1      ILE   8  -4.833  -5.650   1.171
   42   HG21  ILE   8          1HG2      ILE   8  -1.384  -5.297   1.181
   43   HG22  ILE   8          2HG2      ILE   8  -1.867  -4.665   2.754
   44   HG23  ILE   8          3HG2      ILE   8  -2.682  -6.078   2.083
   45   HD11  ILE   8          1HD1      ILE   8  -5.972  -4.870   3.198
   46   HD12  ILE   8          2HD1      ILE   8  -4.308  -5.368   3.507
   47   HD13  ILE   8          3HD1      ILE   8  -4.714  -3.654   3.418
   48    H    CYS   9           H        CYS   9  -1.077  -1.991   3.039
   49    HA   CYS   9           HA       CYS   9   0.854  -1.883   0.829
   50    HB3  CYS   9          2HB       CYS   9   1.566   0.274   1.314
   51    HA   E9V  10           HA       NHI  10   3.415  -3.285   4.127
   52    HB2  E9V  10          2HB       NHI  10   4.145  -4.113   1.654
   53    HB3  E9V  10          3HB       NHI  10   5.633  -3.324   2.170
   54    HD1  E9V  10          1HD       NHI  10   4.875  -4.300   5.266
   55    HD2  E9V  10          2HD       NHI  10   5.573  -6.581   1.864
   56    HE1  E9V  10          1HE       NHI  10   5.568  -6.567   6.106
   57    HN3  E9V  10          3HN       NHI  10   4.091  -2.050   0.762
   58    HN1  E9V  10           H        NHI  10   3.569  -0.489   1.439
   59    HN2  E9V  10          2HN       NHI  10   2.415  -1.497   0.534
   60    H    DPN  11           H        DPH  11   3.486  -0.283   3.445
   61    HA   DPN  11           HA       DPH  11   6.155   0.310   4.526
   62    HB2  DPN  11          2HB       DPH  11   4.130   0.336   6.199
   63    HB3  DPN  11          3HB       DPH  11   3.782   1.888   5.444
   64    HD1  DPN  11          1HD       DPH  11   5.293   0.442   8.159
   65    HD2  DPN  11          2HD       DPH  11   6.057   3.362   5.158
   66    HE1  DPN  11          1HE       DPH  11   6.942   1.520   9.633
   67    HE2  DPN  11          2HE       DPH  11   7.705   4.447   6.628
   68    HZ   DPN  11           HZ       DPH  11   8.150   3.526   8.869
   69    HA   MMO  12           HA       NAR  12   5.304   3.302   1.320
   70   HCB1  MMO  12          2HB       NAR  12   8.205   2.681   1.718
   71   HCB2  MMO  12          3HB       NAR  12   7.724   3.792   0.442
   72   HCG1  MMO  12          2HG       NAR  12   6.428   4.430   2.944
   73   HCG2  MMO  12          3HG       NAR  12   8.186   4.409   3.102
   74   HCD1  MMO  12          2HD       NAR  12   8.465   6.195   1.736
   75   HCD2  MMO  12          3HD       NAR  12   7.093   5.764   0.716
   76   HH21  MMO  12          1HH2      NAR  12   5.105   8.520   3.531
   77   HH22  MMO  12          2HH2      NAR  12   3.636   7.970   2.798
   78   HH11  MMO  12          1HH1      NAR  12   5.170   5.429   0.951
   79    HC1  MMO  12          2HN       NAR  12   7.361   0.203   3.025
   80    HC2  MMO  12          3HN       NAR  12   7.343   0.363   1.253
   81    HC3  MMO  12           H        NAR  12   6.022  -0.490   2.083
   82    HE   MMO  12           HE       NAR  12   7.071   7.481   3.022
   83   HH12  MMO  12          2HH1      NAR  12   3.671   6.211   1.332
   84    H    TRP  13           H        TRP  13   4.094   2.246  -0.243
   85    HA   TRP  13           HA       TRP  13   5.555   1.543  -2.639
   86    HB3  TRP  13          2HB       TRP  13   4.034  -0.592  -2.798
   87    HD1  TRP  13           HD       TRP  13   6.061  -1.369   0.252
   88    HE1  TRP  13          1HE       TRP  13   8.309  -2.417  -0.435
   89    HE3  TRP  13          3HE       TRP  13   5.895  -0.418  -4.767
   90    HZ2  TRP  13          2HZ       TRP  13   9.812  -2.789  -2.795
   91    HZ3  TRP  13          3HZ       TRP  13   7.778  -1.152  -6.170
   92    HH2  TRP  13           HH       TRP  13   9.696  -2.312  -5.201
   93    H    ARG  14           H        ARG  14   4.255   1.554  -4.529
   94    HA   ARG  14           HA       ARG  14   2.129   3.416  -4.462
   95    HB3  ARG  14          2HB       ARG  14   3.448   3.297  -6.439
   96    HG3  ARG  14          2HG       ARG  14   2.742   0.935  -7.745
   97    HD3  ARG  14          2HD       ARG  14   5.378   1.149  -6.398
   98    HE   ARG  14           HE       ARG  14   4.467  -0.090  -8.710
   99   HH11  ARG  14          1HH2      ARG  14   5.907  -0.890 -10.287
  100   HH12  ARG  14          2HH2      ARG  14   7.511  -0.245 -10.383
  101   HH21  ARG  14          1HH1      ARG  14   7.076   2.000  -7.737
  102   HH22  ARG  14          2HH1      ARG  14   8.177   1.398  -8.931
  Start of MODEL    4
    1    H1   CYS   1           H        CYS   1   0.213   2.585  -3.963
    2    HA   CYS   1           HA       CYS   1   0.264   0.126  -2.378
    3    HB3  CYS   1          2HB       CYS   1  -1.935   1.251  -1.471
    4    H    THR   2           H        THR   2  -1.947  -0.955  -2.126
    5    HA   THR   2           HA       THR   2  -2.878  -1.635  -4.789
    6    HB   THR   2           HB       THR   2  -4.171  -3.416  -3.641
    7    HG1  THR   2          1HG       THR   2  -2.821  -2.732  -1.254
    8   HG21  THR   2          1HG2      THR   2  -2.054  -4.534  -2.589
    9   HG22  THR   2          2HG2      THR   2  -1.222  -3.130  -3.256
   10   HG23  THR   2          3HG2      THR   2  -2.113  -4.214  -4.321
   11    H    ALA   3           H        ALA   3  -5.050  -1.575  -5.454
   12    HA   ALA   3           HA       ALA   3  -6.539   0.656  -4.377
   13    HB1  ALA   3          1HB       ALA   3  -6.242   0.072  -6.852
   14    HB2  ALA   3          2HB       ALA   3  -7.486  -1.148  -6.577
   15    HB3  ALA   3          3HB       ALA   3  -7.848   0.556  -6.308
   16    H    SER   4           H        SER   4  -6.509  -1.021  -2.354
   17    HA   SER   4           HA       SER   4  -9.034  -2.529  -2.440
   18    HB3  SER   4          2HB       SER   4  -7.542  -4.094  -1.676
   19    HG   SER   4           HG       SER   4  -5.659  -2.955  -1.703
   20    H    ILE   5           H        ILE   5 -10.151  -2.602  -0.222
   21    HA   ILE   5           HA       ILE   5  -9.982  -0.039   1.183
   22    HB   ILE   5           HB       ILE   5 -12.562  -1.157   0.077
   23   HG13  ILE   5          2HG1      ILE   5 -11.157  -0.056  -1.624
   24   HG21  ILE   5          1HG2      ILE   5 -13.598  -0.003   1.662
   25   HG22  ILE   5          2HG2      ILE   5 -12.051   0.545   2.306
   26   HG23  ILE   5          3HG2      ILE   5 -12.862   1.477   1.048
   27   HD11  ILE   5          1HD1      ILE   5 -13.168   2.046  -1.096
   28   HD12  ILE   5          2HD1      ILE   5 -12.786   1.182  -2.586
   29   HD13  ILE   5          3HD1      ILE   5 -13.754   0.399  -1.337
   30    HA   PRO   6           HA       PRO   6  -9.311   0.442   2.867
   31    HB3  PRO   6          2HB       PRO   6  -8.988   0.326   5.140
   32    HG3  PRO   6          2HG       PRO   6  -9.083  -1.708   6.263
   33    HD3  PRO   6          2HD       PRO   6 -11.047  -1.825   5.063
   34    HA   PRO   7           HA       PRO   7  -6.071  -0.779   0.157
   35    HB3  PRO   7          2HB       PRO   7  -5.498   1.437  -0.019
   36    HG3  PRO   7          2HG       PRO   7  -5.573   2.846   1.829
   37    HD3  PRO   7          2HD       PRO   7  -7.665   1.890   1.974
   38    H    ILE   8           H        ILE   8  -4.070  -1.882  -0.022
   39    HA   ILE   8           HA       ILE   8  -3.063  -2.970   2.527
   40    HB   ILE   8           HB       ILE   8  -3.102  -4.374  -0.147
   41   HG13  ILE   8          2HG1      ILE   8  -5.360  -4.036   0.899
   42   HG21  ILE   8          1HG2      ILE   8  -2.784  -6.112   2.087
   43   HG22  ILE   8          2HG2      ILE   8  -1.679  -5.824   0.744
   44   HG23  ILE   8          3HG2      ILE   8  -1.584  -4.823   2.193
   45   HD11  ILE   8          1HD1      ILE   8  -4.515  -6.919   0.985
   46   HD12  ILE   8          2HD1      ILE   8  -6.137  -6.277   0.713
   47   HD13  ILE   8          3HD1      ILE   8  -4.877  -6.038  -0.499
   48    H    CYS   9           H        CYS   9  -1.191  -1.977   2.941
   49    HA   CYS   9           HA       CYS   9   0.838  -1.933   0.812
   50    HB3  CYS   9          2HB       CYS   9   1.487   0.255   1.277
   51    HA   E9V  10           HA       NHI  10   3.308  -3.156   4.246
   52    HB2  E9V  10          2HB       NHI  10   4.070  -4.245   2.009
   53    HB3  E9V  10          3HB       NHI  10   5.451  -3.161   2.143
   54    HD1  E9V  10          1HD       NHI  10   3.797  -5.101   4.952
   55    HD2  E9V  10          2HD       NHI  10   7.405  -4.901   2.901
   56    HE1  E9V  10          1HE       NHI  10   5.350  -6.658   6.170
   57    HN3  E9V  10          3HN       NHI  10   4.074  -2.025   0.866
   58    HN1  E9V  10           H        NHI  10   3.490  -0.455   1.467
   59    HN2  E9V  10          2HN       NHI  10   2.394  -1.523   0.558
   60    H    DPN  11           H        DPH  11   3.330  -0.177   3.454
   61    HA   DPN  11           HA       DPH  11   5.939   0.522   4.620
   62    HB2  DPN  11          2HB       DPH  11   3.845   0.564   6.204
   63    HB3  DPN  11          3HB       DPH  11   3.491   2.077   5.372
   64    HD1  DPN  11          1HD       DPH  11   4.895   0.798   8.215
   65    HD2  DPN  11          2HD       DPH  11   5.765   3.577   5.110
   66    HE1  DPN  11          1HE       DPH  11   6.453   1.976   9.711
   67    HE2  DPN  11          2HE       DPH  11   7.324   4.760   6.602
   68    HZ   DPN  11           HZ       DPH  11   7.670   3.960   8.906
   69    HA   MMO  12           HA       NAR  12   5.156   3.361   1.259
   70   HCB1  MMO  12          2HB       NAR  12   8.120   2.818   1.502
   71   HCB2  MMO  12          3HB       NAR  12   7.426   4.144   0.580
   72   HCG1  MMO  12          2HG       NAR  12   7.081   3.731   3.543
   73   HCG2  MMO  12          3HG       NAR  12   8.233   4.838   2.793
   74   HCD1  MMO  12          2HD       NAR  12   5.231   4.948   2.526
   75   HCD2  MMO  12          3HD       NAR  12   6.221   6.013   3.523
   76   HH21  MMO  12          1HH2      NAR  12   6.794   7.917  -0.417
   77   HH22  MMO  12          2HH2      NAR  12   8.002   8.864   0.386
   78   HH11  MMO  12          1HH1      NAR  12   7.903   7.006   3.346
   79    HC1  MMO  12          2HN       NAR  12   7.271   0.476   1.404
   80    HC2  MMO  12          3HN       NAR  12   5.931  -0.375   2.209
   81    HC3  MMO  12           H        NAR  12   7.212   0.388   3.181
   82    HE   MMO  12           HE       NAR  12   5.839   6.156   0.674
   83   HH12  MMO  12          2HH1      NAR  12   8.633   8.346   2.525
   84    H    TRP  13           H        TRP  13   4.055   2.200  -0.313
   85    HA   TRP  13           HA       TRP  13   5.686   1.386  -2.578
   86    HB3  TRP  13          2HB       TRP  13   4.082  -0.697  -2.749
   87    HD1  TRP  13           HD       TRP  13   5.936  -1.337   0.456
   88    HE1  TRP  13          1HE       TRP  13   8.164  -2.523  -0.056
   89    HE3  TRP  13          3HE       TRP  13   6.005  -0.774  -4.625
   90    HZ2  TRP  13          2HZ       TRP  13   9.741  -3.137  -2.315
   91    HZ3  TRP  13          3HZ       TRP  13   7.910  -1.689  -5.887
   92    HH2  TRP  13           HH       TRP  13   9.739  -2.845  -4.754
   93    H    ARG  14           H        ARG  14   4.314   0.954  -4.525
   94    HA   ARG  14           HA       ARG  14   2.416   3.057  -4.831
   95    HB3  ARG  14          2HB       ARG  14   2.131   2.133  -7.124
   96    HG3  ARG  14          2HG       ARG  14   4.642   2.150  -7.751
   97    HD3  ARG  14          2HD       ARG  14   4.739   4.641  -7.238
   98    HE   ARG  14           HE       ARG  14   3.044   3.337  -9.045
   99   HH11  ARG  14          1HH2      ARG  14   2.085   4.480 -10.771
  100   HH12  ARG  14          2HH2      ARG  14   1.935   6.202 -10.673
  101   HH21  ARG  14          1HH1      ARG  14   3.424   6.441  -7.518
  102   HH22  ARG  14          2HH1      ARG  14   2.697   7.318  -8.822
  Start of MODEL    5
    1    H1   CYS   1           H        CYS   1   0.234   2.632  -3.912
    2    HA   CYS   1           HA       CYS   1   0.281   0.141  -2.402
    3    HB3  CYS   1          2HB       CYS   1  -1.925   1.249  -1.479
    4    H    THR   2           H        THR   2  -1.933  -0.943  -2.127
    5    HA   THR   2           HA       THR   2  -2.872  -1.639  -4.785
    6    HB   THR   2           HB       THR   2  -4.153  -3.421  -3.631
    7    HG1  THR   2          1HG       THR   2  -2.819  -2.734  -1.238
    8   HG21  THR   2          1HG2      THR   2  -2.231  -4.743  -2.917
    9   HG22  THR   2          2HG2      THR   2  -1.252  -3.280  -2.798
   10   HG23  THR   2          3HG2      THR   2  -1.839  -3.822  -4.369
   11    H    ALA   3           H        ALA   3  -5.047  -1.586  -5.442
   12    HA   ALA   3           HA       ALA   3  -6.536   0.645  -4.371
   13    HB1  ALA   3          1HB       ALA   3  -6.225  -0.075  -6.863
   14    HB2  ALA   3          2HB       ALA   3  -7.600  -1.124  -6.523
   15    HB3  ALA   3          3HB       ALA   3  -7.753   0.620  -6.322
   16    H    SER   4           H        SER   4  -6.493  -1.035  -2.346
   17    HA   SER   4           HA       SER   4  -9.020  -2.540  -2.420
   18    HB3  SER   4          2HB       SER   4  -7.517  -4.105  -1.672
   19    HG   SER   4           HG       SER   4  -5.574  -3.308  -1.493
   20    H    ILE   5           H        ILE   5 -10.189  -2.586  -0.263
   21    HA   ILE   5           HA       ILE   5  -9.987  -0.037   1.171
   22    HB   ILE   5           HB       ILE   5 -12.613  -1.134   0.165
   23   HG13  ILE   5          2HG1      ILE   5 -12.643   0.703  -1.416
   24   HG21  ILE   5          1HG2      ILE   5 -13.299   1.266   0.843
   25   HG22  ILE   5          2HG2      ILE   5 -13.101   0.046   2.099
   26   HG23  ILE   5          3HG2      ILE   5 -11.829   1.234   1.817
   27   HD11  ILE   5          1HD1      ILE   5 -10.359   1.883  -1.777
   28   HD12  ILE   5          2HD1      ILE   5 -11.489   2.501  -0.572
   29   HD13  ILE   5          3HD1      ILE   5 -10.114   1.519  -0.068
   30    HA   PRO   6           HA       PRO   6  -9.323   0.444   2.859
   31    HB3  PRO   6          2HB       PRO   6  -9.010   0.324   5.133
   32    HG3  PRO   6          2HG       PRO   6  -9.113  -1.710   6.253
   33    HD3  PRO   6          2HD       PRO   6 -11.074  -1.823   5.046
   34    HA   PRO   7           HA       PRO   7  -6.078  -0.783   0.158
   35    HB3  PRO   7          2HB       PRO   7  -5.500   1.434  -0.014
   36    HG3  PRO   7          2HG       PRO   7  -5.579   2.843   1.834
   37    HD3  PRO   7          2HD       PRO   7  -7.674   1.890   1.971
   38    H    ILE   8           H        ILE   8  -4.059  -1.868  -0.011
   39    HA   ILE   8           HA       ILE   8  -3.064  -2.958   2.541
   40    HB   ILE   8           HB       ILE   8  -3.136  -4.368  -0.131
   41   HG13  ILE   8          2HG1      ILE   8  -4.861  -5.782   0.846
   42   HG21  ILE   8          1HG2      ILE   8  -2.214  -5.244   2.598
   43   HG22  ILE   8          2HG2      ILE   8  -2.507  -6.354   1.259
   44   HG23  ILE   8          3HG2      ILE   8  -1.254  -5.119   1.125
   45   HD11  ILE   8          1HD1      ILE   8  -5.801  -4.361   3.043
   46   HD12  ILE   8          2HD1      ILE   8  -5.072  -5.966   3.040
   47   HD13  ILE   8          3HD1      ILE   8  -4.070  -4.543   3.318
   48    H    CYS   9           H        CYS   9  -1.189  -1.971   2.950
   49    HA   CYS   9           HA       CYS   9   0.838  -1.939   0.818
   50    HB3  CYS   9          2HB       CYS   9   1.493   0.251   1.277
   51    HA   E9V  10           HA       NHI  10   3.307  -3.158   4.254
   52    HB2  E9V  10          2HB       NHI  10   5.341  -3.171   2.023
   53    HB3  E9V  10          3HB       NHI  10   5.278  -4.230   3.429
   54    HD1  E9V  10          1HD       NHI  10   4.681  -4.377  -0.015
   55    HD2  E9V  10          2HD       NHI  10   2.563  -5.705   3.304
   56    HE1  E9V  10          1HE       NHI  10   3.138  -6.167  -0.875
   57    HN3  E9V  10          3HN       NHI  10   4.074  -2.036   0.870
   58    HN1  E9V  10           H        NHI  10   3.494  -0.462   1.466
   59    HN2  E9V  10          2HN       NHI  10   2.396  -1.533   0.563
   60    H    DPN  11           H        DPH  11   3.335  -0.180   3.454
   61    HA   DPN  11           HA       DPH  11   5.943   0.519   4.618
   62    HB2  DPN  11          2HB       DPH  11   4.269   0.614   6.401
   63    HB3  DPN  11          3HB       DPH  11   3.266   1.677   5.418
   64    HD1  DPN  11          1HD       DPH  11   6.908   1.653   6.228
   65    HD2  DPN  11          2HD       DPH  11   3.219   3.774   6.348
   66    HE1  DPN  11          1HE       DPH  11   8.065   3.607   7.175
   67    HE2  DPN  11          2HE       DPH  11   4.371   5.731   7.294
   68    HZ   DPN  11           HZ       DPH  11   6.796   5.649   7.709
   69    HA   MMO  12           HA       NAR  12   5.164   3.352   1.253
   70   HCB1  MMO  12          2HB       NAR  12   8.099   2.800   1.650
   71   HCB2  MMO  12          3HB       NAR  12   7.523   4.001   0.503
   72   HCG1  MMO  12          2HG       NAR  12   6.551   4.131   3.310
   73   HCG2  MMO  12          3HG       NAR  12   8.194   4.664   2.950
   74   HCD1  MMO  12          2HD       NAR  12   6.906   6.604   2.754
   75   HCD2  MMO  12          3HD       NAR  12   7.132   6.066   1.090
   76   HH21  MMO  12          1HH2      NAR  12   2.738   5.844   1.462
   77   HH22  MMO  12          2HH2      NAR  12   2.724   7.248   0.447
   78   HH11  MMO  12          1HH1      NAR  12   6.184   7.739   0.591
   79    HC1  MMO  12          2HN       NAR  12   7.214   0.376   3.177
   80    HC2  MMO  12          3HN       NAR  12   7.272   0.464   1.400
   81    HC3  MMO  12           H        NAR  12   5.930  -0.386   2.206
   82    HE   MMO  12           HE       NAR  12   4.719   5.082   2.298
   83   HH12  MMO  12          2HH1      NAR  12   4.683   8.326  -0.049
   84    H    TRP  13           H        TRP  13   4.056   2.201  -0.317
   85    HA   TRP  13           HA       TRP  13   5.675   1.372  -2.582
   86    HB3  TRP  13          2HB       TRP  13   4.049  -0.697  -2.746
   87    HD1  TRP  13           HD       TRP  13   5.926  -1.342   0.448
   88    HE1  TRP  13          1HE       TRP  13   8.136  -2.550  -0.078
   89    HE3  TRP  13          3HE       TRP  13   5.951  -0.811  -4.637
   90    HZ2  TRP  13          2HZ       TRP  13   9.685  -3.193  -2.349
   91    HZ3  TRP  13          3HZ       TRP  13   7.833  -1.751  -5.912
   92    HH2  TRP  13           HH       TRP  13   9.661  -2.917  -4.789
   93    H    ARG  14           H        ARG  14   4.317   0.977  -4.533
   94    HA   ARG  14           HA       ARG  14   2.423   3.082  -4.830
   95    HB3  ARG  14          2HB       ARG  14   2.184   2.267  -7.129
   96    HG3  ARG  14          2HG       ARG  14   4.877   2.617  -5.962
   97    HD3  ARG  14          2HD       ARG  14   4.343   1.450  -8.677
   98    HE   ARG  14           HE       ARG  14   7.014   2.355  -8.325
   99   HH11  ARG  14          1HH2      ARG  14   7.786   4.042  -9.652
  100   HH12  ARG  14          2HH2      ARG  14   6.658   5.051 -10.491
  101   HH21  ARG  14          1HH1      ARG  14   3.828   3.409  -9.255
  102   HH22  ARG  14          2HH1      ARG  14   4.407   4.693 -10.264
  Start of MODEL    6
    1    H1   CYS   1           H        CYS   1   0.553   2.618  -3.731
    2    HA   CYS   1           HA       CYS   1   0.247   0.134  -2.352
    3    HB3  CYS   1          2HB       CYS   1  -1.932   1.426  -1.566
    4    H    THR   2           H        THR   2  -1.921  -0.934  -2.152
    5    HA   THR   2           HA       THR   2  -2.898  -1.549  -4.814
    6    HB   THR   2           HB       THR   2  -4.104  -3.388  -3.772
    7    HG1  THR   2          1HG       THR   2  -4.713  -2.489  -1.809
    8   HG21  THR   2          1HG2      THR   2  -1.747  -3.752  -4.288
    9   HG22  THR   2          2HG2      THR   2  -2.200  -4.630  -2.827
   10   HG23  THR   2          3HG2      THR   2  -1.290  -3.126  -2.705
   11    H    ALA   3           H        ALA   3  -5.063  -1.423  -5.464
   12    HA   ALA   3           HA       ALA   3  -6.522   0.780  -4.294
   13    HB1  ALA   3          1HB       ALA   3  -6.935  -0.919  -6.736
   14    HB2  ALA   3          2HB       ALA   3  -8.133   0.259  -6.199
   15    HB3  ALA   3          3HB       ALA   3  -6.510   0.791  -6.639
   16    H    SER   4           H        SER   4  -6.504  -0.973  -2.339
   17    HA   SER   4           HA       SER   4  -9.044  -2.452  -2.474
   18    HB3  SER   4          2HB       SER   4  -7.485  -4.031  -1.816
   19    HG   SER   4           HG       SER   4  -6.094  -2.741   0.117
   20    H    ILE   5           H        ILE   5 -10.150  -2.602  -0.252
   21    HA   ILE   5           HA       ILE   5  -9.959  -0.088   1.239
   22    HB   ILE   5           HB       ILE   5 -12.560  -1.170   0.148
   23   HG13  ILE   5          2HG1      ILE   5 -11.201  -0.066  -1.574
   24   HG21  ILE   5          1HG2      ILE   5 -12.809  -0.187   2.363
   25   HG22  ILE   5          2HG2      ILE   5 -11.996   1.278   1.814
   26   HG23  ILE   5          3HG2      ILE   5 -13.562   0.831   1.135
   27   HD11  ILE   5          1HD1      ILE   5 -12.745   1.475  -2.395
   28   HD12  ILE   5          2HD1      ILE   5 -13.709   0.352  -1.435
   29   HD13  ILE   5          3HD1      ILE   5 -13.283   1.932  -0.779
   30    HA   PRO   6           HA       PRO   6  -9.297   0.358   2.937
   31    HB3  PRO   6          2HB       PRO   6  -8.966   0.181   5.203
   32    HG3  PRO   6          2HG       PRO   6  -9.033  -1.886   6.267
   33    HD3  PRO   6          2HD       PRO   6 -11.000  -1.990   5.071
   34    HA   PRO   7           HA       PRO   7  -6.054  -0.744   0.181
   35    HB3  PRO   7          2HB       PRO   7  -5.505   1.483   0.070
   36    HG3  PRO   7          2HG       PRO   7  -5.589   2.835   1.960
   37    HD3  PRO   7          2HD       PRO   7  -7.670   1.852   2.083
   38    H    ILE   8           H        ILE   8  -4.132  -1.916  -0.040
   39    HA   ILE   8           HA       ILE   8  -3.076  -3.038   2.472
   40    HB   ILE   8           HB       ILE   8  -3.212  -4.336  -0.251
   41   HG13  ILE   8          2HG1      ILE   8  -5.292  -4.052   1.394
   42   HG21  ILE   8          1HG2      ILE   8  -1.476  -5.534   0.485
   43   HG22  ILE   8          2HG2      ILE   8  -1.647  -4.926   2.130
   44   HG23  ILE   8          3HG2      ILE   8  -2.623  -6.291   1.588
   45   HD11  ILE   8          1HD1      ILE   8  -4.952  -5.531  -0.770
   46   HD12  ILE   8          2HD1      ILE   8  -5.008  -6.832   0.421
   47   HD13  ILE   8          3HD1      ILE   8  -6.360  -5.708   0.278
   48    H    CYS   9           H        CYS   9  -1.208  -2.051   2.915
   49    HA   CYS   9           HA       CYS   9   0.834  -1.974   0.804
   50    HB3  CYS   9          2HB       CYS   9   1.455   0.230   1.251
   51    HA   E9V  10           HA       NHI  10   3.272  -3.113   4.290
   52    HB2  E9V  10          2HB       NHI  10   5.312  -3.124   2.061
   53    HB3  E9V  10          3HB       NHI  10   5.300  -4.135   3.504
   54    HD1  E9V  10          1HD       NHI  10   2.682  -5.451   3.547
   55    HD2  E9V  10          2HD       NHI  10   4.635  -4.668  -0.036
   56    HE1  E9V  10          1HE       NHI  10   1.699  -7.056   1.881
   57    HN3  E9V  10          3HN       NHI  10   4.069  -2.026   0.902
   58    HN1  E9V  10           H        NHI  10   3.458  -0.453   1.467
   59    HN2  E9V  10          2HN       NHI  10   2.389  -1.550   0.564
   60    H    DPN  11           H        DPH  11   3.266  -0.144   3.446
   61    HA   DPN  11           HA       DPH  11   5.841   0.610   4.650
   62    HB2  DPN  11          2HB       DPH  11   3.897   0.654   6.292
   63    HB3  DPN  11          3HB       DPH  11   3.237   1.974   5.332
   64    HD1  DPN  11          1HD       DPH  11   6.616   1.097   6.662
   65    HD2  DPN  11          2HD       DPH  11   3.541   4.018   6.308
   66    HE1  DPN  11          1HE       DPH  11   7.995   2.698   7.922
   67    HE2  DPN  11          2HE       DPH  11   4.915   5.623   7.569
   68    HZ   DPN  11           HZ       DPH  11   7.145   4.964   8.378
   69    HA   MMO  12           HA       NAR  12   5.094   3.377   1.223
   70   HCB1  MMO  12          2HB       NAR  12   8.076   2.919   1.260
   71   HCB2  MMO  12          3HB       NAR  12   7.221   4.361   0.732
   72   HCG1  MMO  12          2HG       NAR  12   6.384   4.555   3.123
   73   HCG2  MMO  12          3HG       NAR  12   7.598   3.338   3.525
   74   HCD1  MMO  12          2HD       NAR  12   8.448   5.590   3.912
   75   HCD2  MMO  12          3HD       NAR  12   9.351   4.782   2.632
   76   HH21  MMO  12          1HH2      NAR  12   7.724   8.261   0.454
   77   HH22  MMO  12          2HH2      NAR  12   9.339   8.882   0.518
   78   HH11  MMO  12          1HH1      NAR  12  10.511   6.413   2.700
   79    HC1  MMO  12          2HN       NAR  12   7.145   0.465   3.242
   80    HC2  MMO  12          3HN       NAR  12   7.242   0.526   1.466
   81    HC3  MMO  12           H        NAR  12   5.896  -0.332   2.253
   82    HE   MMO  12           HE       NAR  12   7.190   6.394   1.650
   83   HH12  MMO  12          2HH1      NAR  12  10.925   7.831   1.794
   84    H    TRP  13           H        TRP  13   4.042   2.177  -0.352
   85    HA   TRP  13           HA       TRP  13   5.739   1.323  -2.556
   86    HB3  TRP  13          2HB       TRP  13   4.085  -0.742  -2.721
   87    HD1  TRP  13           HD       TRP  13   5.935  -1.404   0.472
   88    HE1  TRP  13          1HE       TRP  13   8.150  -2.612  -0.040
   89    HE3  TRP  13          3HE       TRP  13   6.022  -0.819  -4.606
   90    HZ2  TRP  13          2HZ       TRP  13   9.724  -3.234  -2.299
   91    HZ3  TRP  13          3HZ       TRP  13   7.919  -1.748  -5.867
   92    HH2  TRP  13           HH       TRP  13   9.731  -2.930  -4.736
   93    H    ARG  14           H        ARG  14   4.323   0.718  -4.499
   94    HA   ARG  14           HA       ARG  14   2.531   2.891  -4.968
   95    HB3  ARG  14          2HB       ARG  14   2.151   1.614  -7.171
   96    HG3  ARG  14          2HG       ARG  14   4.610   1.964  -7.891
   97    HD3  ARG  14          2HD       ARG  14   3.312   4.402  -6.731
   98    HE   ARG  14           HE       ARG  14   5.301   4.081  -8.621
   99   HH11  ARG  14          1HH2      ARG  14   5.848   5.721 -10.108
  100   HH12  ARG  14          2HH2      ARG  14   4.678   6.933 -10.508
  101   HH21  ARG  14          1HH1      ARG  14   2.194   5.637  -8.417
  102   HH22  ARG  14          2HH1      ARG  14   2.600   6.887  -9.545
  Start of MODEL    7
    1    H1   CYS   1           H        CYS   1   0.361   2.576  -3.951
    2    HA   CYS   1           HA       CYS   1   0.284   0.134  -2.365
    3    HB3  CYS   1          2HB       CYS   1  -1.895   1.382  -1.527
    4    H    THR   2           H        THR   2  -1.917  -0.911  -2.100
    5    HA   THR   2           HA       THR   2  -2.899  -1.594  -4.744
    6    HB   THR   2           HB       THR   2  -4.105  -3.402  -3.659
    7    HG1  THR   2          1HG       THR   2  -4.674  -2.307  -1.721
    8   HG21  THR   2          1HG2      THR   2  -2.223  -4.594  -3.618
    9   HG22  THR   2          2HG2      THR   2  -1.727  -3.834  -2.107
   10   HG23  THR   2          3HG2      THR   2  -1.313  -3.085  -3.649
   11    H    ALA   3           H        ALA   3  -5.033  -1.416  -5.429
   12    HA   ALA   3           HA       ALA   3  -6.496   0.791  -4.272
   13    HB1  ALA   3          1HB       ALA   3  -7.442  -0.893  -6.567
   14    HB2  ALA   3          2HB       ALA   3  -7.777   0.804  -6.225
   15    HB3  ALA   3          3HB       ALA   3  -6.174   0.316  -6.769
   16    H    SER   4           H        SER   4  -6.523  -0.983  -2.332
   17    HA   SER   4           HA       SER   4  -9.075  -2.435  -2.522
   18    HB3  SER   4          2HB       SER   4  -7.543  -4.037  -1.857
   19    HG   SER   4           HG       SER   4  -5.741  -3.613  -0.658
   20    H    ILE   5           H        ILE   5 -10.217  -2.595  -0.319
   21    HA   ILE   5           HA       ILE   5 -10.023  -0.101   1.202
   22    HB   ILE   5           HB       ILE   5 -12.607  -1.139   0.035
   23   HG13  ILE   5          2HG1      ILE   5 -11.134   0.035  -1.585
   24   HG21  ILE   5          1HG2      ILE   5 -12.952   1.430   1.091
   25   HG22  ILE   5          2HG2      ILE   5 -13.605  -0.084   1.716
   26   HG23  ILE   5          3HG2      ILE   5 -12.061   0.523   2.314
   27   HD11  ILE   5          1HD1      ILE   5 -13.819   0.728  -0.994
   28   HD12  ILE   5          2HD1      ILE   5 -12.955   2.188  -1.478
   29   HD13  ILE   5          3HD1      ILE   5 -12.976   0.781  -2.542
   30    HA   PRO   6           HA       PRO   6  -9.387   0.322   2.917
   31    HB3  PRO   6          2HB       PRO   6  -9.096   0.114   5.187
   32    HG3  PRO   6          2HG       PRO   6  -9.204  -1.962   6.226
   33    HD3  PRO   6          2HD       PRO   6 -11.151  -2.033   4.996
   34    HA   PRO   7           HA       PRO   7  -6.110  -0.787   0.203
   35    HB3  PRO   7          2HB       PRO   7  -5.539   1.437   0.122
   36    HG3  PRO   7          2HG       PRO   7  -5.642   2.772   2.023
   37    HD3  PRO   7          2HD       PRO   7  -7.734   1.806   2.102
   38    H    ILE   8           H        ILE   8  -4.008  -1.771   0.024
   39    HA   ILE   8           HA       ILE   8  -3.044  -2.969   2.538
   40    HB   ILE   8           HB       ILE   8  -3.197  -4.303  -0.167
   41   HG13  ILE   8          2HG1      ILE   8  -5.321  -4.012   1.281
   42   HG21  ILE   8          1HG2      ILE   8  -1.262  -5.158   0.808
   43   HG22  ILE   8          2HG2      ILE   8  -1.949  -5.124   2.430
   44   HG23  ILE   8          3HG2      ILE   8  -2.503  -6.326   1.264
   45   HD11  ILE   8          1HD1      ILE   8  -5.252  -6.856   1.076
   46   HD12  ILE   8          2HD1      ILE   8  -6.127  -5.686   0.088
   47   HD13  ILE   8          3HD1      ILE   8  -4.478  -6.144  -0.339
   48    H    CYS   9           H        CYS   9  -1.168  -1.986   2.960
   49    HA   CYS   9           HA       CYS   9   0.861  -1.940   0.835
   50    HB3  CYS   9          2HB       CYS   9   1.504   0.261   1.276
   51    HA   E9V  10           HA       NHI  10   3.317  -3.088   4.304
   52    HB2  E9V  10          2HB       NHI  10   5.319  -3.140   2.041
   53    HB3  E9V  10          3HB       NHI  10   5.338  -4.126   3.500
   54    HD1  E9V  10          1HD       NHI  10   3.437  -5.982   3.665
   55    HD2  E9V  10          2HD       NHI  10   3.866  -4.165  -0.047
   56    HE1  E9V  10          1HE       NHI  10   2.226  -7.475   2.041
   57    HN3  E9V  10          3HN       NHI  10   4.096  -2.022   0.906
   58    HN1  E9V  10           H        NHI  10   3.504  -0.441   1.471
   59    HN2  E9V  10          2HN       NHI  10   2.416  -1.532   0.581
   60    H    DPN  11           H        DPH  11   3.335  -0.125   3.451
   61    HA   DPN  11           HA       DPH  11   5.934   0.604   4.617
   62    HB2  DPN  11          2HB       DPH  11   4.168   0.703   6.355
   63    HB3  DPN  11          3HB       DPH  11   3.278   1.849   5.358
   64    HD1  DPN  11          1HD       DPH  11   6.775   1.457   6.612
   65    HD2  DPN  11          2HD       DPH  11   3.437   4.031   6.019
   66    HE1  DPN  11          1HE       DPH  11   8.025   3.311   7.641
   67    HE2  DPN  11          2HE       DPH  11   4.683   5.888   7.046
   68    HZ   DPN  11           HZ       DPH  11   6.979   5.529   7.860
   69    HA   MMO  12           HA       NAR  12   5.166   3.370   1.191
   70   HCB1  MMO  12          2HB       NAR  12   8.136   2.846   1.402
   71   HCB2  MMO  12          3HB       NAR  12   7.404   4.192   0.542
   72   HCG1  MMO  12          2HG       NAR  12   6.486   5.048   2.625
   73   HCG2  MMO  12          3HG       NAR  12   7.175   3.679   3.500
   74   HCD1  MMO  12          2HD       NAR  12   9.405   4.524   2.376
   75   HCD2  MMO  12          3HD       NAR  12   8.522   6.049   2.304
   76   HH21  MMO  12          1HH2      NAR  12   9.577   5.847   6.593
   77   HH22  MMO  12          2HH2      NAR  12  11.005   6.751   6.219
   78   HH11  MMO  12          1HH1      NAR  12  10.660   6.418   2.756
   79    HC1  MMO  12          2HN       NAR  12   5.945  -0.343   2.226
   80    HC2  MMO  12          3HN       NAR  12   7.215   0.445   3.190
   81    HC3  MMO  12           H        NAR  12   7.287   0.496   1.413
   82    HE   MMO  12           HE       NAR  12   8.318   4.985   4.897
   83   HH12  MMO  12          2HH1      NAR  12  11.622   7.076   4.037
   84    H    TRP  13           H        TRP  13   4.080   2.172  -0.364
   85    HA   TRP  13           HA       TRP  13   5.736   1.298  -2.590
   86    HB3  TRP  13          2HB       TRP  13   4.093  -0.760  -2.736
   87    HD1  TRP  13           HD       TRP  13   5.931  -1.343   0.495
   88    HE1  TRP  13          1HE       TRP  13   8.135  -2.586   0.020
   89    HE3  TRP  13          3HE       TRP  13   6.007  -0.943  -4.602
   90    HZ2  TRP  13          2HZ       TRP  13   9.698  -3.300  -2.219
   91    HZ3  TRP  13          3HZ       TRP  13   7.892  -1.933  -5.835
   92    HH2  TRP  13           HH       TRP  13   9.699  -3.086  -4.666
   93    H    ARG  14           H        ARG  14   4.335   0.764  -4.529
   94    HA   ARG  14           HA       ARG  14   2.516   2.921  -4.948
   95    HB3  ARG  14          2HB       ARG  14   2.118   1.502  -7.145
   96    HG3  ARG  14          2HG       ARG  14   3.341   3.608  -7.137
   97    HD3  ARG  14          2HD       ARG  14   5.627   1.878  -6.220
   98    HE   ARG  14           HE       ARG  14   6.873   3.277  -7.536
   99   HH11  ARG  14          1HH2      ARG  14   7.693   5.291  -8.226
  100   HH12  ARG  14          2HH2      ARG  14   6.869   6.746  -7.778
  101   HH21  ARG  14          1HH1      ARG  14   4.359   5.111  -5.975
  102   HH22  ARG  14          2HH1      ARG  14   4.973   6.645  -6.496
  Start of MODEL    8
    1    H1   CYS   1           H        CYS   1  -0.345   2.396  -4.127
    2    HA   CYS   1           HA       CYS   1   0.248   0.109  -2.377
    3    HB3  CYS   1          2HB       CYS   1  -1.970   0.734  -1.205
    4    H    THR   2           H        THR   2  -2.073  -1.058  -2.033
    5    HA   THR   2           HA       THR   2  -2.810  -1.902  -4.711
    6    HB   THR   2           HB       THR   2  -4.130  -3.662  -3.537
    7    HG1  THR   2          1HG       THR   2  -4.478  -3.463  -1.464
    8   HG21  THR   2          1HG2      THR   2  -2.218  -4.929  -2.751
    9   HG22  THR   2          2HG2      THR   2  -1.267  -3.452  -2.599
   10   HG23  THR   2          3HG2      THR   2  -1.771  -4.017  -4.191
   11    H    ALA   3           H        ALA   3  -5.025  -2.120  -5.391
   12    HA   ALA   3           HA       ALA   3  -6.607   0.184  -4.654
   13    HB1  ALA   3          1HB       ALA   3  -7.966  -0.328  -6.537
   14    HB2  ALA   3          2HB       ALA   3  -6.290  -0.599  -7.018
   15    HB3  ALA   3          3HB       ALA   3  -7.330  -1.970  -6.629
   16    H    SER   4           H        SER   4  -6.518  -1.257  -2.430
   17    HA   SER   4           HA       SER   4  -9.019  -2.805  -2.332
   18    HB3  SER   4          2HB       SER   4  -7.500  -4.253  -1.408
   19    HG   SER   4           HG       SER   4  -5.938  -2.736   0.155
   20    H    ILE   5           H        ILE   5 -10.122  -2.646  -0.107
   21    HA   ILE   5           HA       ILE   5  -9.981   0.058   1.006
   22    HB   ILE   5           HB       ILE   5 -12.561  -1.198   0.062
   23   HG13  ILE   5          2HG1      ILE   5 -11.182  -0.331  -1.787
   24   HG21  ILE   5          1HG2      ILE   5 -12.066   0.713   2.080
   25   HG22  ILE   5          2HG2      ILE   5 -12.776   1.570   0.712
   26   HG23  ILE   5          3HG2      ILE   5 -13.620   0.194   1.425
   27   HD11  ILE   5          1HD1      ILE   5 -13.784   0.200  -1.486
   28   HD12  ILE   5          2HD1      ILE   5 -13.153   1.846  -1.553
   29   HD13  ILE   5          3HD1      ILE   5 -12.840   0.728  -2.880
   30    HA   PRO   6           HA       PRO   6  -9.311   0.728   2.624
   31    HB3  PRO   6          2HB       PRO   6  -8.982   0.863   4.894
   32    HG3  PRO   6          2HG       PRO   6  -9.051  -1.037   6.233
   33    HD3  PRO   6          2HD       PRO   6 -11.017  -1.306   5.060
   34    HA   PRO   7           HA       PRO   7  -6.061  -0.743   0.054
   35    HB3  PRO   7          2HB       PRO   7  -5.507   1.448  -0.357
   36    HG3  PRO   7          2HG       PRO   7  -5.594   3.044   1.333
   37    HD3  PRO   7          2HD       PRO   7  -7.677   2.090   1.581
   38    H    ILE   8           H        ILE   8  -4.115  -1.912  -0.005
   39    HA   ILE   8           HA       ILE   8  -3.076  -2.692   2.639
   40    HB   ILE   8           HB       ILE   8  -3.204  -4.347   0.116
   41   HG13  ILE   8          2HG1      ILE   8  -5.294  -3.848   1.684
   42   HG21  ILE   8          1HG2      ILE   8  -2.597  -6.100   2.062
   43   HG22  ILE   8          2HG2      ILE   8  -1.390  -5.304   1.054
   44   HG23  ILE   8          3HG2      ILE   8  -1.751  -4.672   2.661
   45   HD11  ILE   8          1HD1      ILE   8  -6.224  -5.416   0.442
   46   HD12  ILE   8          2HD1      ILE   8  -4.621  -5.967  -0.047
   47   HD13  ILE   8          3HD1      ILE   8  -5.402  -6.669   1.370
   48    H    CYS   9           H        CYS   9  -1.132  -1.867   3.007
   49    HA   CYS   9           HA       CYS   9   0.807  -1.807   0.790
   50    HB3  CYS   9          2HB       CYS   9   1.547   0.324   1.340
   51    HA   E9V  10           HA       NHI  10   3.392  -3.347   4.006
   52    HB2  E9V  10          2HB       NHI  10   4.017  -4.262   1.628
   53    HB3  E9V  10          3HB       NHI  10   5.466  -3.286   1.845
   54    HD1  E9V  10          1HD       NHI  10   3.578  -5.903   3.874
   55    HD2  E9V  10          2HD       NHI  10   7.456  -4.690   3.002
   56    HE1  E9V  10          1HE       NHI  10   5.078  -7.536   5.062
   57    HN3  E9V  10          3HN       NHI  10   4.039  -2.007   0.677
   58    HN1  E9V  10           H        NHI  10   3.543  -0.464   1.412
   59    HN2  E9V  10          2HN       NHI  10   2.366  -1.430   0.489
   60    H    DPN  11           H        DPH  11   3.488  -0.322   3.418
   61    HA   DPN  11           HA       DPH  11   6.172   0.204   4.501
   62    HB2  DPN  11          2HB       DPH  11   4.153   0.213   6.180
   63    HB3  DPN  11          3HB       DPH  11   3.824   1.790   5.469
   64    HD1  DPN  11          1HD       DPH  11   5.340   0.235   8.129
   65    HD2  DPN  11          2HD       DPH  11   6.100   3.254   5.226
   66    HE1  DPN  11          1HE       DPH  11   7.008   1.251   9.626
   67    HE2  DPN  11          2HE       DPH  11   7.768   4.275   6.718
   68    HZ   DPN  11           HZ       DPH  11   8.224   3.274   8.923
   69    HA   MMO  12           HA       NAR  12   5.351   3.292   1.378
   70   HCB1  MMO  12          2HB       NAR  12   8.304   2.679   1.200
   71   HCB2  MMO  12          3HB       NAR  12   7.506   4.194   0.798
   72   HCG1  MMO  12          2HG       NAR  12   6.756   4.107   3.308
   73   HCG2  MMO  12          3HG       NAR  12   8.153   3.038   3.461
   74   HCD1  MMO  12          2HD       NAR  12   8.791   5.327   3.942
   75   HCD2  MMO  12          3HD       NAR  12   9.573   4.773   2.463
   76   HH21  MMO  12          1HH2      NAR  12   7.191   8.207   1.000
   77   HH22  MMO  12          2HH2      NAR  12   8.371   9.317   1.610
   78   HH11  MMO  12          1HH1      NAR  12  10.064   6.921   3.515
   79    HC1  MMO  12          2HN       NAR  12   7.358   0.331   1.232
   80    HC2  MMO  12          3HN       NAR  12   6.023  -0.525   2.039
   81    HC3  MMO  12           H        NAR  12   7.374   0.125   2.999
   82    HE   MMO  12           HE       NAR  12   7.278   6.017   1.633
   83   HH12  MMO  12          2HH1      NAR  12  10.006   8.586   3.039
   84    H    TRP  13           H        TRP  13   4.136   2.294  -0.217
   85    HA   TRP  13           HA       TRP  13   5.537   1.739  -2.660
   86    HB3  TRP  13          2HB       TRP  13   4.127  -0.524  -2.785
   87    HD1  TRP  13           HD       TRP  13   6.559  -1.450  -0.164
   88    HE1  TRP  13          1HE       TRP  13   8.792  -2.172  -1.218
   89    HE3  TRP  13          3HE       TRP  13   5.776   0.204  -4.937
   90    HZ2  TRP  13          2HZ       TRP  13  10.057  -2.055  -3.739
   91    HZ3  TRP  13          3HZ       TRP  13   7.548  -0.141  -6.610
   92    HH2  TRP  13           HH       TRP  13   9.643  -1.245  -6.021
   93    H    ARG  14           H        ARG  14   4.257   2.019  -4.452
   94    HA   ARG  14           HA       ARG  14   1.926   3.538  -4.197
   95    HB3  ARG  14          2HB       ARG  14   3.236   3.672  -6.206
   96    HG3  ARG  14          2HG       ARG  14   2.371   0.943  -7.068
   97    HD3  ARG  14          2HD       ARG  14   4.516   1.232  -8.410
   98    HE   ARG  14           HE       ARG  14   2.009   2.527  -8.940
   99   HH11  ARG  14          1HH2      ARG  14   1.439   2.865 -11.122
  100   HH12  ARG  14          2HH2      ARG  14   2.650   2.728 -12.351
  101   HH21  ARG  14          1HH1      ARG  14   5.233   1.955 -10.125
  102   HH22  ARG  14          2HH1      ARG  14   4.809   2.209 -11.785
  Start of MODEL    9
    1    H1   CYS   1           H        CYS   1   0.050   2.724  -3.536
    2    HA   CYS   1           HA       CYS   1   0.250   0.101  -2.423
    3    HB3  CYS   1          2HB       CYS   1  -1.970   0.855  -1.301
    4    H    THR   2           H        THR   2  -2.048  -1.035  -2.082
    5    HA   THR   2           HA       THR   2  -2.852  -1.842  -4.752
    6    HB   THR   2           HB       THR   2  -4.152  -3.609  -3.583
    7    HG1  THR   2          1HG       THR   2  -4.440  -3.501  -1.485
    8   HG21  THR   2          1HG2      THR   2  -2.217  -4.859  -2.737
    9   HG22  THR   2          2HG2      THR   2  -1.268  -3.371  -2.712
   10   HG23  THR   2          3HG2      THR   2  -1.837  -4.030  -4.246
   11    H    ALA   3           H        ALA   3  -5.061  -1.984  -5.421
   12    HA   ALA   3           HA       ALA   3  -6.613   0.308  -4.585
   13    HB1  ALA   3          1HB       ALA   3  -7.744   0.108  -6.555
   14    HB2  ALA   3          2HB       ALA   3  -6.256  -0.732  -6.993
   15    HB3  ALA   3          3HB       ALA   3  -7.688  -1.654  -6.538
   16    H    SER   4           H        SER   4  -6.530  -1.196  -2.413
   17    HA   SER   4           HA       SER   4  -9.036  -2.736  -2.351
   18    HB3  SER   4          2HB       SER   4  -7.521  -4.215  -1.474
   19    HG   SER   4           HG       SER   4  -5.950  -2.748   0.128
   20    H    ILE   5           H        ILE   5 -10.133  -2.637  -0.122
   21    HA   ILE   5           HA       ILE   5  -9.982   0.034   1.067
   22    HB   ILE   5           HB       ILE   5 -12.569  -1.186   0.098
   23   HG13  ILE   5          2HG1      ILE   5 -11.207  -0.288  -1.739
   24   HG21  ILE   5          1HG2      ILE   5 -12.756   1.569   0.821
   25   HG22  ILE   5          2HG2      ILE   5 -13.622   0.186   1.487
   26   HG23  ILE   5          3HG2      ILE   5 -12.064   0.661   2.165
   27   HD11  ILE   5          1HD1      ILE   5 -13.250   1.831  -1.272
   28   HD12  ILE   5          2HD1      ILE   5 -12.789   1.023  -2.770
   29   HD13  ILE   5          3HD1      ILE   5 -13.751   0.167  -1.566
   30    HA   PRO   6           HA       PRO   6  -9.307   0.655   2.703
   31    HB3  PRO   6          2HB       PRO   6  -8.973   0.727   4.975
   32    HG3  PRO   6          2HG       PRO   6  -9.044  -1.210   6.259
   33    HD3  PRO   6          2HD       PRO   6 -11.013  -1.441   5.084
   34    HA   PRO   7           HA       PRO   7  -6.068  -0.753   0.083
   35    HB3  PRO   7          2HB       PRO   7  -5.512   1.447  -0.271
   36    HG3  PRO   7          2HG       PRO   7  -5.591   2.999   1.459
   37    HD3  PRO   7          2HD       PRO   7  -7.674   2.041   1.689
   38    H    ILE   8           H        ILE   8  -4.119  -1.918  -0.012
   39    HA   ILE   8           HA       ILE   8  -3.077  -2.774   2.608
   40    HB   ILE   8           HB       ILE   8  -3.208  -4.353   0.036
   41   HG13  ILE   8          2HG1      ILE   8  -5.294  -3.903   1.620
   42   HG21  ILE   8          1HG2      ILE   8  -1.776  -4.770   2.589
   43   HG22  ILE   8          2HG2      ILE   8  -2.587  -6.174   1.896
   44   HG23  ILE   8          3HG2      ILE   8  -1.371  -5.306   0.959
   45   HD11  ILE   8          1HD1      ILE   8  -6.259  -5.471   0.399
   46   HD12  ILE   8          2HD1      ILE   8  -4.663  -5.910  -0.214
   47   HD13  ILE   8          3HD1      ILE   8  -5.326  -6.737   1.195
   48    H    CYS   9           H        CYS   9  -1.155  -1.898   2.986
   49    HA   CYS   9           HA       CYS   9   0.805  -1.831   0.792
   50    HB3  CYS   9          2HB       CYS   9   1.528   0.314   1.343
   51    HA   E9V  10           HA       NHI  10   3.370  -3.306   4.051
   52    HB2  E9V  10          2HB       NHI  10   5.321  -3.223   1.749
   53    HB3  E9V  10          3HB       NHI  10   5.288  -4.364   3.090
   54    HD1  E9V  10          1HD       NHI  10   5.088  -4.989  -0.071
   55    HD2  E9V  10          2HD       NHI  10   2.009  -5.076   2.718
   56    HE1  E9V  10          1HE       NHI  10   3.343  -6.517  -1.042
   57    HN3  E9V  10          3HN       NHI  10   4.038  -2.003   0.714
   58    HN1  E9V  10           H        NHI  10   3.520  -0.455   1.420
   59    HN2  E9V  10          2HN       NHI  10   2.362  -1.445   0.500
   60    H    DPN  11           H        DPH  11   3.440  -0.285   3.423
   61    HA   DPN  11           HA       DPH  11   6.096   0.284   4.549
   62    HB2  DPN  11          2HB       DPH  11   4.412   0.311   6.355
   63    HB3  DPN  11          3HB       DPH  11   3.493   1.522   5.467
   64    HD1  DPN  11          1HD       DPH  11   7.145   1.210   6.131
   65    HD2  DPN  11          2HD       DPH  11   3.587   3.482   6.672
   66    HE1  DPN  11          1HE       DPH  11   8.450   2.990   7.218
   67    HE2  DPN  11          2HE       DPH  11   4.886   5.265   7.761
   68    HZ   DPN  11           HZ       DPH  11   7.322   5.021   8.034
   69    HA   MMO  12           HA       NAR  12   5.311   3.315   1.359
   70   HCB1  MMO  12          2HB       NAR  12   8.261   2.679   1.511
   71   HCB2  MMO  12          3HB       NAR  12   7.591   4.061   0.655
   72   HCG1  MMO  12          2HG       NAR  12   6.931   3.669   3.534
   73   HCG2  MMO  12          3HG       NAR  12   8.506   4.323   3.079
   74   HCD1  MMO  12          2HD       NAR  12   7.125   6.197   3.414
   75   HCD2  MMO  12          3HD       NAR  12   7.236   6.003   1.665
   76   HH21  MMO  12          1HH2      NAR  12   2.895   5.495   2.292
   77   HH22  MMO  12          2HH2      NAR  12   2.759   7.038   1.517
   78   HH11  MMO  12          1HH1      NAR  12   6.201   7.655   1.492
   79    HC1  MMO  12          2HN       NAR  12   6.011  -0.486   2.098
   80    HC2  MMO  12          3HN       NAR  12   7.332   0.197   3.074
   81    HC3  MMO  12           H        NAR  12   7.351   0.375   1.304
   82    HE   MMO  12           HE       NAR  12   4.959   4.701   2.852
   83   HH12  MMO  12          2HH1      NAR  12   4.638   8.266   1.062
   84    H    TRP  13           H        TRP  13   4.140   2.272  -0.242
   85    HA   TRP  13           HA       TRP  13   5.605   1.687  -2.645
   86    HB3  TRP  13          2HB       TRP  13   4.211  -0.582  -2.768
   87    HD1  TRP  13           HD       TRP  13   6.534  -1.521  -0.078
   88    HE1  TRP  13          1HE       TRP  13   8.814  -2.225  -1.042
   89    HE3  TRP  13          3HE       TRP  13   5.965   0.210  -4.854
   90    HZ2  TRP  13          2HZ       TRP  13  10.190  -2.066  -3.502
   91    HZ3  TRP  13          3HZ       TRP  13   7.809  -0.104  -6.450
   92    HH2  TRP  13           HH       TRP  13   9.878  -1.220  -5.786
   93    H    ARG  14           H        ARG  14   4.358   1.895  -4.479
   94    HA   ARG  14           HA       ARG  14   2.041   3.440  -4.331
   95    HB3  ARG  14          2HB       ARG  14   3.373   3.464  -6.327
   96    HG3  ARG  14          2HG       ARG  14   2.504   0.685  -7.025
   97    HD3  ARG  14          2HD       ARG  14   3.389   2.474  -8.684
   98    HE   ARG  14           HE       ARG  14   5.596   2.468  -7.046
   99   HH11  ARG  14          1HH2      ARG  14   7.666   3.120  -7.744
  100   HH12  ARG  14          2HH2      ARG  14   8.065   3.033  -9.427
  101   HH21  ARG  14          1HH1      ARG  14   4.949   1.778 -10.396
  102   HH22  ARG  14          2HH1      ARG  14   6.519   2.272 -10.936
  Start of MODEL   10
    1    H1   CYS   1           H        CYS   1   0.361   2.556  -4.007
    2    HA   CYS   1           HA       CYS   1   0.291   0.137  -2.371
    3    HB3  CYS   1          2HB       CYS   1  -1.884   1.411  -1.547
    4    H    THR   2           H        THR   2  -1.907  -0.903  -2.106
    5    HA   THR   2           HA       THR   2  -2.901  -1.580  -4.748
    6    HB   THR   2           HB       THR   2  -4.111  -3.383  -3.658
    7    HG1  THR   2          1HG       THR   2  -4.658  -2.271  -1.716
    8   HG21  THR   2          1HG2      THR   2  -1.475  -3.322  -3.972
    9   HG22  THR   2          2HG2      THR   2  -2.288  -4.694  -3.220
   10   HG23  THR   2          3HG2      THR   2  -1.512  -3.471  -2.216
   11    H    ALA   3           H        ALA   3  -5.031  -1.383  -5.431
   12    HA   ALA   3           HA       ALA   3  -6.487   0.821  -4.255
   13    HB1  ALA   3          1HB       ALA   3  -7.051  -0.873  -6.685
   14    HB2  ALA   3          2HB       ALA   3  -8.001   0.530  -6.191
   15    HB3  ALA   3          3HB       ALA   3  -6.311   0.729  -6.656
   16    H    SER   4           H        SER   4  -6.521  -0.975  -2.334
   17    HA   SER   4           HA       SER   4  -9.079  -2.413  -2.540
   18    HB3  SER   4          2HB       SER   4  -7.562  -4.031  -1.887
   19    HG   SER   4           HG       SER   4  -5.736  -3.631  -0.751
   20    H    ILE   5           H        ILE   5 -10.222  -2.593  -0.337
   21    HA   ILE   5           HA       ILE   5 -10.019  -0.115   1.209
   22    HB   ILE   5           HB       ILE   5 -12.642  -1.130   0.110
   23   HG13  ILE   5          2HG1      ILE   5 -11.216  -0.124  -1.640
   24   HG21  ILE   5          1HG2      ILE   5 -13.508   1.017   1.007
   25   HG22  ILE   5          2HG2      ILE   5 -12.926  -0.086   2.252
   26   HG23  ILE   5          3HG2      ILE   5 -11.938   1.290   1.762
   27   HD11  ILE   5          1HD1      ILE   5 -12.781   1.249  -2.590
   28   HD12  ILE   5          2HD1      ILE   5 -13.767   0.367  -1.422
   29   HD13  ILE   5          3HD1      ILE   5 -13.214   2.000  -1.054
   30    HA   PRO   6           HA       PRO   6  -9.399   0.295   2.933
   31    HB3  PRO   6          2HB       PRO   6  -9.119   0.066   5.201
   32    HG3  PRO   6          2HG       PRO   6  -9.231  -2.020   6.220
   33    HD3  PRO   6          2HD       PRO   6 -11.171  -2.081   4.979
   34    HA   PRO   7           HA       PRO   7  -6.111  -0.789   0.221
   35    HB3  PRO   7          2HB       PRO   7  -5.549   1.437   0.153
   36    HG3  PRO   7          2HG       PRO   7  -5.665   2.763   2.060
   37    HD3  PRO   7          2HD       PRO   7  -7.753   1.789   2.126
   38    H    ILE   8           H        ILE   8  -4.015  -1.775   0.042
   39    HA   ILE   8           HA       ILE   8  -3.045  -2.970   2.556
   40    HB   ILE   8           HB       ILE   8  -3.238  -4.302  -0.149
   41   HG13  ILE   8          2HG1      ILE   8  -4.822  -5.799   0.912
   42   HG21  ILE   8          1HG2      ILE   8  -2.521  -6.311   1.398
   43   HG22  ILE   8          2HG2      ILE   8  -1.320  -5.249   0.662
   44   HG23  ILE   8          3HG2      ILE   8  -1.786  -5.020   2.347
   45   HD11  ILE   8          1HD1      ILE   8  -5.568  -4.606   3.289
   46   HD12  ILE   8          2HD1      ILE   8  -4.726  -6.145   3.098
   47   HD13  ILE   8          3HD1      ILE   8  -3.808  -4.664   3.368
   48    H    CYS   9           H        CYS   9  -1.170  -1.986   2.973
   49    HA   CYS   9           HA       CYS   9   0.857  -1.944   0.843
   50    HB3  CYS   9          2HB       CYS   9   1.503   0.257   1.282
   51    HA   E9V  10           HA       NHI  10   3.318  -3.078   4.314
   52    HB2  E9V  10          2HB       NHI  10   5.355  -3.123   2.085
   53    HB3  E9V  10          3HB       NHI  10   5.308  -4.145   3.519
   54    HD1  E9V  10          1HD       NHI  10   2.431  -5.146   3.421
   55    HD2  E9V  10          2HD       NHI  10   4.891  -4.896   0.083
   56    HE1  E9V  10          1HE       NHI  10   1.485  -6.784   1.762
   57    HN3  E9V  10          3HN       NHI  10   4.091  -2.026   0.911
   58    HN1  E9V  10           H        NHI  10   3.499  -0.443   1.469
   59    HN2  E9V  10          2HN       NHI  10   2.411  -1.539   0.585
   60    H    DPN  11           H        DPH  11   3.330  -0.117   3.450
   61    HA   DPN  11           HA       DPH  11   5.925   0.624   4.617
   62    HB2  DPN  11          2HB       DPH  11   4.227   0.749   6.380
   63    HB3  DPN  11          3HB       DPH  11   3.236   1.792   5.365
   64    HD1  DPN  11          1HD       DPH  11   6.851   1.757   6.298
   65    HD2  DPN  11          2HD       DPH  11   3.195   3.934   6.171
   66    HE1  DPN  11          1HE       DPH  11   7.998   3.730   7.217
   67    HE2  DPN  11          2HE       DPH  11   4.335   5.910   7.090
   68    HZ   DPN  11           HZ       DPH  11   6.740   5.812   7.613
   69    HA   MMO  12           HA       NAR  12   5.159   3.371   1.177
   70   HCB1  MMO  12          2HB       NAR  12   8.135   2.861   1.336
   71   HCB2  MMO  12          3HB       NAR  12   7.363   4.239   0.562
   72   HCG1  MMO  12          2HG       NAR  12   6.420   4.865   2.784
   73   HCG2  MMO  12          3HG       NAR  12   7.396   3.579   3.496
   74   HCD1  MMO  12          2HD       NAR  12   8.687   5.511   3.773
   75   HCD2  MMO  12          3HD       NAR  12   9.389   4.710   2.369
   76   HH21  MMO  12          1HH2      NAR  12   7.865   8.556   0.686
   77   HH22  MMO  12          2HH2      NAR  12   6.893   9.313   1.903
   78   HH11  MMO  12          1HH1      NAR  12   7.125   6.647   4.155
   79    HC1  MMO  12          2HN       NAR  12   7.212   0.460   3.192
   80    HC2  MMO  12          3HN       NAR  12   7.285   0.504   1.415
   81    HC3  MMO  12           H        NAR  12   5.943  -0.335   2.229
   82    HE   MMO  12           HE       NAR  12   8.718   6.474   1.063
   83   HH12  MMO  12          2HH1      NAR  12   6.473   8.228   3.877
   84    H    TRP  13           H        TRP  13   4.079   2.162  -0.373
   85    HA   TRP  13           HA       TRP  13   5.744   1.275  -2.589
   86    HB3  TRP  13          2HB       TRP  13   4.086  -0.774  -2.731
   87    HD1  TRP  13           HD       TRP  13   5.928  -1.344   0.501
   88    HE1  TRP  13          1HE       TRP  13   8.122  -2.607   0.030
   89    HE3  TRP  13          3HE       TRP  13   5.988  -0.991  -4.599
   90    HZ2  TRP  13          2HZ       TRP  13   9.672  -3.354  -2.209
   91    HZ3  TRP  13          3HZ       TRP  13   7.861  -2.007  -5.829
   92    HH2  TRP  13           HH       TRP  13   9.664  -3.162  -4.658
   93    H    ARG  14           H        ARG  14   4.338   0.719  -4.528
   94    HA   ARG  14           HA       ARG  14   2.545   2.891  -4.978
   95    HB3  ARG  14          2HB       ARG  14   2.208   1.787  -7.208
   96    HG3  ARG  14          2HG       ARG  14   4.761   1.754  -7.790
   97    HD3  ARG  14          2HD       ARG  14   3.495   4.289  -6.764
   98    HE   ARG  14           HE       ARG  14   5.775   3.813  -8.445
   99   HH11  ARG  14          1HH2      ARG  14   6.880   5.635  -9.259
  100   HH12  ARG  14          2HH2      ARG  14   6.119   7.190  -9.198
  101   HH21  ARG  14          1HH1      ARG  14   3.190   6.018  -7.688
  102   HH22  ARG  14          2HH1      ARG  14   4.021   7.408  -8.304
  Start of MODEL   11
    1    H1   CYS   1           H        CYS   1   0.470   2.679  -3.546
    2    HA   CYS   1           HA       CYS   1   0.279   0.125  -2.391
    3    HB3  CYS   1          2HB       CYS   1  -1.923   1.175  -1.427
    4    H    THR   2           H        THR   2  -1.955  -0.958  -2.104
    5    HA   THR   2           HA       THR   2  -2.870  -1.678  -4.763
    6    HB   THR   2           HB       THR   2  -4.176  -3.439  -3.590
    7    HG1  THR   2          1HG       THR   2  -2.809  -2.740  -1.217
    8   HG21  THR   2          1HG2      THR   2  -2.259  -4.773  -2.889
    9   HG22  THR   2          2HG2      THR   2  -1.265  -3.320  -2.790
   10   HG23  THR   2          3HG2      THR   2  -1.875  -3.867  -4.352
   11    H    ALA   3           H        ALA   3  -5.038  -1.630  -5.442
   12    HA   ALA   3           HA       ALA   3  -6.538   0.612  -4.404
   13    HB1  ALA   3          1HB       ALA   3  -8.078   0.115  -6.297
   14    HB2  ALA   3          2HB       ALA   3  -6.405   0.392  -6.785
   15    HB3  ALA   3          3HB       ALA   3  -7.045  -1.251  -6.719
   16    H    SER   4           H        SER   4  -6.515  -1.047  -2.363
   17    HA   SER   4           HA       SER   4  -9.039  -2.556  -2.446
   18    HB3  SER   4          2HB       SER   4  -7.552  -4.114  -1.661
   19    HG   SER   4           HG       SER   4  -5.730  -2.721  -1.728
   20    H    ILE   5           H        ILE   5 -10.165  -2.607  -0.229
   21    HA   ILE   5           HA       ILE   5 -10.000  -0.033   1.154
   22    HB   ILE   5           HB       ILE   5 -11.713   0.411  -0.444
   23   HG13  ILE   5          2HG1      ILE   5 -12.122   1.036   1.966
   24   HG21  ILE   5          1HG2      ILE   5 -12.821  -1.258  -1.397
   25   HG22  ILE   5          2HG2      ILE   5 -12.265  -2.380  -0.155
   26   HG23  ILE   5          3HG2      ILE   5 -13.746  -1.456   0.091
   27   HD11  ILE   5          1HD1      ILE   5 -13.750   2.207   1.025
   28   HD12  ILE   5          2HD1      ILE   5 -14.096   0.930  -0.142
   29   HD13  ILE   5          3HD1      ILE   5 -14.829   0.882   1.461
   30    HA   PRO   6           HA       PRO   6  -9.338   0.461   2.838
   31    HB3  PRO   6          2HB       PRO   6  -9.027   0.364   5.112
   32    HG3  PRO   6          2HG       PRO   6  -9.132  -1.661   6.252
   33    HD3  PRO   6          2HD       PRO   6 -11.090  -1.785   5.041
   34    HA   PRO   7           HA       PRO   7  -6.085  -0.788   0.156
   35    HB3  PRO   7          2HB       PRO   7  -5.508   1.428  -0.036
   36    HG3  PRO   7          2HG       PRO   7  -5.592   2.853   1.799
   37    HD3  PRO   7          2HD       PRO   7  -7.685   1.899   1.941
   38    H    ILE   8           H        ILE   8  -4.038  -1.844   0.001
   39    HA   ILE   8           HA       ILE   8  -3.055  -2.920   2.563
   40    HB   ILE   8           HB       ILE   8  -3.109  -4.362  -0.089
   41   HG13  ILE   8          2HG1      ILE   8  -4.856  -5.755   0.882
   42   HG21  ILE   8          1HG2      ILE   8  -2.625  -6.325   1.534
   43   HG22  ILE   8          2HG2      ILE   8  -1.306  -5.260   1.051
   44   HG23  ILE   8          3HG2      ILE   8  -2.070  -5.057   2.627
   45   HD11  ILE   8          1HD1      ILE   8  -5.048  -5.906   3.086
   46   HD12  ILE   8          2HD1      ILE   8  -4.132  -4.421   3.343
   47   HD13  ILE   8          3HD1      ILE   8  -5.863  -4.344   3.026
   48    H    CYS   9           H        CYS   9  -1.173  -1.947   2.966
   49    HA   CYS   9           HA       CYS   9   0.844  -1.912   0.823
   50    HB3  CYS   9          2HB       CYS   9   1.508   0.271   1.291
   51    HA   E9V  10           HA       NHI  10   3.331  -3.170   4.233
   52    HB2  E9V  10          2HB       NHI  10   5.313  -3.185   1.950
   53    HB3  E9V  10          3HB       NHI  10   5.322  -4.217   3.379
   54    HD1  E9V  10          1HD       NHI  10   2.313  -5.056   3.287
   55    HD2  E9V  10          2HD       NHI  10   4.917  -5.117   0.049
   56    HE1  E9V  10          1HE       NHI  10   1.347  -6.730   1.679
   57    HN3  E9V  10          3HN       NHI  10   4.079  -2.025   0.851
   58    HN1  E9V  10           H        NHI  10   3.509  -0.453   1.465
   59    HN2  E9V  10          2HN       NHI  10   2.401  -1.511   0.561
   60    H    DPN  11           H        DPH  11   3.368  -0.187   3.456
   61    HA   DPN  11           HA       DPH  11   5.991   0.488   4.602
   62    HB2  DPN  11          2HB       DPH  11   4.273   0.562   6.377
   63    HB3  DPN  11          3HB       DPH  11   3.350   1.715   5.419
   64    HD1  DPN  11          1HD       DPH  11   6.895   1.355   6.542
   65    HD2  DPN  11          2HD       DPH  11   3.486   3.875   6.152
   66    HE1  DPN  11          1HE       DPH  11   8.149   3.205   7.569
   67    HE2  DPN  11          2HE       DPH  11   4.736   5.729   7.180
   68    HZ   DPN  11           HZ       DPH  11   7.069   5.395   7.890
   69    HA   MMO  12           HA       NAR  12   5.200   3.350   1.262
   70   HCB1  MMO  12          2HB       NAR  12   8.167   2.784   1.401
   71   HCB2  MMO  12          3HB       NAR  12   7.434   4.166   0.598
   72   HCG1  MMO  12          2HG       NAR  12   6.370   4.514   3.004
   73   HCG2  MMO  12          3HG       NAR  12   7.819   3.628   3.483
   74   HCD1  MMO  12          2HD       NAR  12   8.354   5.943   3.557
   75   HCD2  MMO  12          3HD       NAR  12   9.154   5.269   2.139
   76   HH21  MMO  12          1HH2      NAR  12   6.312   8.229   0.378
   77   HH22  MMO  12          2HH2      NAR  12   5.117   8.606   1.573
   78   HH11  MMO  12          1HH1      NAR  12   6.358   6.351   3.940
   79    HC1  MMO  12          2HN       NAR  12   7.248   0.349   3.149
   80    HC2  MMO  12          3HN       NAR  12   7.293   0.449   1.373
   81    HC3  MMO  12           H        NAR  12   5.953  -0.399   2.182
   82    HE   MMO  12           HE       NAR  12   7.906   6.664   0.837
   83   HH12  MMO  12          2HH1      NAR  12   5.142   7.538   3.599
   84    H    TRP  13           H        TRP  13   4.072   2.208  -0.303
   85    HA   TRP  13           HA       TRP  13   5.662   1.404  -2.595
   86    HB3  TRP  13          2HB       TRP  13   4.075  -0.685  -2.758
   87    HD1  TRP  13           HD       TRP  13   5.924  -1.367   0.431
   88    HE1  TRP  13          1HE       TRP  13   8.162  -2.526  -0.092
   89    HE3  TRP  13          3HE       TRP  13   6.019  -0.700  -4.636
   90    HZ2  TRP  13          2HZ       TRP  13   9.756  -3.085  -2.353
   91    HZ3  TRP  13          3HZ       TRP  13   7.936  -1.575  -5.905
   92    HH2  TRP  13           HH       TRP  13   9.765  -2.742  -4.785
   93    H    ARG  14           H        ARG  14   4.312   1.063  -4.538
   94    HA   ARG  14           HA       ARG  14   2.368   3.127  -4.769
   95    HB3  ARG  14          2HB       ARG  14   2.054   2.157  -7.087
   96    HG3  ARG  14          2HG       ARG  14   4.947   2.595  -6.396
   97    HD3  ARG  14          2HD       ARG  14   3.343   3.219  -8.874
   98    HE   ARG  14           HE       ARG  14   6.196   3.310  -9.055
   99   HH11  ARG  14          1HH2      ARG  14   7.181   5.325  -9.469
  100   HH12  ARG  14          2HH2      ARG  14   6.273   6.780  -9.235
  101   HH21  ARG  14          1HH1      ARG  14   3.363   5.143  -8.198
  102   HH22  ARG  14          2HH1      ARG  14   4.102   6.678  -8.510
  Start of MODEL   12
    1    H1   CYS   1           H        CYS   1   0.060   2.465  -4.159
    2    HA   CYS   1           HA       CYS   1   0.270   0.119  -2.386
    3    HB3  CYS   1          2HB       CYS   1  -1.932   1.168  -1.423
    4    H    THR   2           H        THR   2  -1.961  -0.967  -2.109
    5    HA   THR   2           HA       THR   2  -2.871  -1.677  -4.773
    6    HB   THR   2           HB       THR   2  -4.179  -3.443  -3.605
    7    HG1  THR   2          1HG       THR   2  -2.807  -2.727  -1.236
    8   HG21  THR   2          1HG2      THR   2  -2.375  -4.835  -3.405
    9   HG22  THR   2          2HG2      THR   2  -1.439  -3.666  -2.474
   10   HG23  THR   2          3HG2      THR   2  -1.594  -3.480  -4.221
   11    H    ALA   3           H        ALA   3  -5.046  -1.645  -5.446
   12    HA   ALA   3           HA       ALA   3  -6.545   0.599  -4.413
   13    HB1  ALA   3          1HB       ALA   3  -8.018   0.241  -6.311
   14    HB2  ALA   3          2HB       ALA   3  -6.332   0.235  -6.830
   15    HB3  ALA   3          3HB       ALA   3  -7.211  -1.286  -6.671
   16    H    SER   4           H        SER   4  -6.514  -1.052  -2.366
   17    HA   SER   4           HA       SER   4  -9.037  -2.562  -2.435
   18    HB3  SER   4          2HB       SER   4  -7.546  -4.117  -1.649
   19    HG   SER   4           HG       SER   4  -5.586  -3.461  -1.332
   20    H    ILE   5           H        ILE   5 -10.156  -2.607  -0.216
   21    HA   ILE   5           HA       ILE   5  -9.989  -0.027   1.157
   22    HB   ILE   5           HB       ILE   5 -11.708   0.408  -0.437
   23   HG13  ILE   5          2HG1      ILE   5 -12.074   0.774   2.164
   24   HG21  ILE   5          1HG2      ILE   5 -12.821  -1.265  -1.379
   25   HG22  ILE   5          2HG2      ILE   5 -12.253  -2.382  -0.140
   26   HG23  ILE   5          3HG2      ILE   5 -13.735  -1.465   0.116
   27   HD11  ILE   5          1HD1      ILE   5 -13.156   2.432   1.125
   28   HD12  ILE   5          2HD1      ILE   5 -13.793   1.371  -0.131
   29   HD13  ILE   5          3HD1      ILE   5 -14.585   1.451   1.444
   30    HA   PRO   6           HA       PRO   6  -9.322   0.475   2.836
   31    HB3  PRO   6          2HB       PRO   6  -9.004   0.388   5.110
   32    HG3  PRO   6          2HG       PRO   6  -9.101  -1.632   6.259
   33    HD3  PRO   6          2HD       PRO   6 -11.062  -1.765   5.056
   34    HA   PRO   7           HA       PRO   7  -6.077  -0.780   0.146
   35    HB3  PRO   7          2HB       PRO   7  -5.503   1.435  -0.055
   36    HG3  PRO   7          2HG       PRO   7  -5.581   2.867   1.775
   37    HD3  PRO   7          2HD       PRO   7  -7.674   1.913   1.927
   38    H    ILE   8           H        ILE   8  -4.058  -1.867  -0.012
   39    HA   ILE   8           HA       ILE   8  -3.058  -2.926   2.551
   40    HB   ILE   8           HB       ILE   8  -3.094  -4.369  -0.102
   41   HG13  ILE   8          2HG1      ILE   8  -5.356  -4.016   0.929
   42   HG21  ILE   8          1HG2      ILE   8  -1.503  -5.599   0.863
   43   HG22  ILE   8          2HG2      ILE   8  -1.769  -4.852   2.437
   44   HG23  ILE   8          3HG2      ILE   8  -2.771  -6.210   1.927
   45   HD11  ILE   8          1HD1      ILE   8  -6.152  -6.146   0.569
   46   HD12  ILE   8          2HD1      ILE   8  -4.654  -6.142  -0.360
   47   HD13  ILE   8          3HD1      ILE   8  -4.706  -6.911   1.226
   48    H    CYS   9           H        CYS   9  -1.175  -1.960   2.958
   49    HA   CYS   9           HA       CYS   9   0.840  -1.915   0.817
   50    HB3  CYS   9          2HB       CYS   9   1.502   0.268   1.290
   51    HA   E9V  10           HA       NHI  10   3.328  -3.179   4.224
   52    HB2  E9V  10          2HB       NHI  10   4.153  -4.048   1.789
   53    HB3  E9V  10          3HB       NHI  10   5.609  -3.231   2.348
   54    HD1  E9V  10          1HD       NHI  10   6.485  -4.084   4.784
   55    HD2  E9V  10          2HD       NHI  10   3.848  -6.568   2.752
   56    HE1  E9V  10          1HE       NHI  10   6.727  -6.345   5.859
   57    HN3  E9V  10          3HN       NHI  10   4.076  -2.025   0.847
   58    HN1  E9V  10           H        NHI  10   3.506  -0.456   1.465
   59    HN2  E9V  10          2HN       NHI  10   2.398  -1.511   0.556
   60    H    DPN  11           H        DPH  11   3.363  -0.194   3.456
   61    HA   DPN  11           HA       DPH  11   5.984   0.479   4.605
   62    HB2  DPN  11          2HB       DPH  11   3.906   0.520   6.208
   63    HB3  DPN  11          3HB       DPH  11   3.552   2.040   5.391
   64    HD1  DPN  11          1HD       DPH  11   4.922   0.782   8.235
   65    HD2  DPN  11          2HD       DPH  11   5.882   3.489   5.093
   66    HE1  DPN  11          1HE       DPH  11   6.498   1.945   9.724
   67    HE2  DPN  11          2HE       DPH  11   7.460   4.656   6.577
   68    HZ   DPN  11           HZ       DPH  11   7.770   3.885   8.896
   69    HA   MMO  12           HA       NAR  12   5.187   3.351   1.274
   70   HCB1  MMO  12          2HB       NAR  12   8.162   2.809   1.323
   71   HCB2  MMO  12          3HB       NAR  12   7.374   4.237   0.667
   72   HCG1  MMO  12          2HG       NAR  12   6.423   4.410   3.122
   73   HCG2  MMO  12          3HG       NAR  12   7.868   3.466   3.489
   74   HCD1  MMO  12          2HD       NAR  12   9.136   5.217   2.128
   75   HCD2  MMO  12          3HD       NAR  12   7.674   6.194   2.249
   76   HH21  MMO  12          1HH2      NAR  12   9.471   6.560   6.319
   77   HH22  MMO  12          2HH2      NAR  12  10.760   5.409   6.431
   78   HH11  MMO  12          1HH1      NAR  12  10.149   3.990   3.294
   79    HC1  MMO  12          2HN       NAR  12   5.950  -0.398   2.187
   80    HC2  MMO  12          3HN       NAR  12   7.242   0.353   3.153
   81    HC3  MMO  12           H        NAR  12   7.286   0.454   1.376
   82    HE   MMO  12           HE       NAR  12   8.164   6.605   4.451
   83   HH12  MMO  12          2HH1      NAR  12  11.147   3.948   4.708
   84    H    TRP  13           H        TRP  13   4.067   2.214  -0.298
   85    HA   TRP  13           HA       TRP  13   5.662   1.423  -2.592
   86    HB3  TRP  13          2HB       TRP  13   4.068  -0.671  -2.753
   87    HD1  TRP  13           HD       TRP  13   6.014  -1.304   0.405
   88    HE1  TRP  13          1HE       TRP  13   8.231  -2.477  -0.170
   89    HE3  TRP  13          3HE       TRP  13   5.930  -0.753  -4.677
   90    HZ2  TRP  13          2HZ       TRP  13   9.744  -3.087  -2.473
   91    HZ3  TRP  13          3HZ       TRP  13   7.801  -1.659  -5.992
   92    HH2  TRP  13           HH       TRP  13   9.669  -2.801  -4.911
   93    H    ARG  14           H        ARG  14   4.309   1.073  -4.534
   94    HA   ARG  14           HA       ARG  14   2.357   3.131  -4.762
   95    HB3  ARG  14          2HB       ARG  14   2.041   2.152  -7.080
   96    HG3  ARG  14          2HG       ARG  14   4.849   2.799  -6.213
   97    HD3  ARG  14          2HD       ARG  14   4.765   1.609  -8.387
   98    HE   ARG  14           HE       ARG  14   2.638   3.418  -8.979
   99   HH11  ARG  14          1HH2      ARG  14   1.695   3.333 -11.055
  100   HH12  ARG  14          2HH2      ARG  14   2.536   2.536 -12.340
  101   HH21  ARG  14          1HH1      ARG  14   5.289   1.646 -10.376
  102   HH22  ARG  14          2HH1      ARG  14   4.581   1.575 -11.956
  Start of MODEL   13
    1    H1   CYS   1           H        CYS   1   0.122   2.606  -3.952
    2    HA   CYS   1           HA       CYS   1   0.267   0.124  -2.402
    3    HB3  CYS   1          2HB       CYS   1  -1.942   1.155  -1.436
    4    H    THR   2           H        THR   2  -1.963  -0.971  -2.133
    5    HA   THR   2           HA       THR   2  -2.865  -1.674  -4.801
    6    HB   THR   2           HB       THR   2  -4.152  -3.460  -3.660
    7    HG1  THR   2          1HG       THR   2  -2.848  -2.775  -1.253
    8   HG21  THR   2          1HG2      THR   2  -2.119  -4.648  -2.680
    9   HG22  THR   2          2HG2      THR   2  -1.216  -3.181  -3.062
   10   HG23  THR   2          3HG2      THR   2  -1.989  -4.103  -4.352
   11    H    ALA   3           H        ALA   3  -5.054  -1.675  -5.459
   12    HA   ALA   3           HA       ALA   3  -6.556   0.575  -4.442
   13    HB1  ALA   3          1HB       ALA   3  -7.175  -1.336  -6.691
   14    HB2  ALA   3          2HB       ALA   3  -8.066   0.140  -6.321
   15    HB3  ALA   3          3HB       ALA   3  -6.385   0.234  -6.844
   16    H    SER   4           H        SER   4  -6.501  -1.058  -2.378
   17    HA   SER   4           HA       SER   4  -9.020  -2.576  -2.412
   18    HB3  SER   4          2HB       SER   4  -7.518  -4.120  -1.625
   19    HG   SER   4           HG       SER   4  -5.937  -2.763   0.064
   20    H    ILE   5           H        ILE   5 -10.121  -2.605  -0.184
   21    HA   ILE   5           HA       ILE   5  -9.950  -0.013   1.167
   22    HB   ILE   5           HB       ILE   5 -11.678   0.409  -0.421
   23   HG13  ILE   5          2HG1      ILE   5 -12.032   0.902   2.110
   24   HG21  ILE   5          1HG2      ILE   5 -12.800  -1.269  -1.342
   25   HG22  ILE   5          2HG2      ILE   5 -12.218  -2.378  -0.101
   26   HG23  ILE   5          3HG2      ILE   5 -13.701  -1.461   0.161
   27   HD11  ILE   5          1HD1      ILE   5 -14.569   1.414   1.603
   28   HD12  ILE   5          2HD1      ILE   5 -13.264   2.353   0.875
   29   HD13  ILE   5          3HD1      ILE   5 -14.053   1.074  -0.048
   30    HA   PRO   6           HA       PRO   6  -9.275   0.503   2.838
   31    HB3  PRO   6          2HB       PRO   6  -8.944   0.434   5.110
   32    HG3  PRO   6          2HG       PRO   6  -9.032  -1.576   6.275
   33    HD3  PRO   6          2HD       PRO   6 -11.001  -1.721   5.084
   34    HA   PRO   7           HA       PRO   7  -6.044  -0.768   0.141
   35    HB3  PRO   7          2HB       PRO   7  -5.474   1.446  -0.084
   36    HG3  PRO   7          2HG       PRO   7  -5.546   2.893   1.736
   37    HD3  PRO   7          2HD       PRO   7  -7.636   1.936   1.907
   38    H    ILE   8           H        ILE   8  -4.111  -1.945  -0.023
   39    HA   ILE   8           HA       ILE   8  -3.074  -2.959   2.544
   40    HB   ILE   8           HB       ILE   8  -3.206  -4.381  -0.118
   41   HG13  ILE   8          2HG1      ILE   8  -5.296  -4.014   1.486
   42   HG21  ILE   8          1HG2      ILE   8  -1.457  -5.518   0.690
   43   HG22  ILE   8          2HG2      ILE   8  -1.679  -4.884   2.320
   44   HG23  ILE   8          3HG2      ILE   8  -2.628  -6.267   1.775
   45   HD11  ILE   8          1HD1      ILE   8  -5.093  -6.853   0.765
   46   HD12  ILE   8          2HD1      ILE   8  -6.339  -5.664   0.383
   47   HD13  ILE   8          3HD1      ILE   8  -4.845  -5.708  -0.552
   48    H    CYS   9           H        CYS   9  -1.203  -1.961   2.949
   49    HA   CYS   9           HA       CYS   9   0.820  -1.925   0.812
   50    HB3  CYS   9          2HB       CYS   9   1.481   0.258   1.293
   51    HA   E9V  10           HA       NHI  10   3.305  -3.193   4.219
   52    HB2  E9V  10          2HB       NHI  10   5.317  -3.186   1.967
   53    HB3  E9V  10          3HB       NHI  10   5.276  -4.253   3.368
   54    HD1  E9V  10          1HD       NHI  10   3.390  -6.102   3.376
   55    HD2  E9V  10          2HD       NHI  10   3.807  -4.007  -0.187
   56    HE1  E9V  10          1HE       NHI  10   2.154  -7.454   1.652
   57    HN3  E9V  10          3HN       NHI  10   4.057  -2.030   0.847
   58    HN1  E9V  10           H        NHI  10   3.484  -0.464   1.466
   59    HN2  E9V  10          2HN       NHI  10   2.377  -1.518   0.554
   60    H    DPN  11           H        DPH  11   3.335  -0.207   3.458
   61    HA   DPN  11           HA       DPH  11   5.952   0.470   4.616
   62    HB2  DPN  11          2HB       DPH  11   4.208   0.525   6.377
   63    HB3  DPN  11          3HB       DPH  11   3.315   1.708   5.428
   64    HD1  DPN  11          1HD       DPH  11   6.913   1.354   6.350
   65    HD2  DPN  11          2HD       DPH  11   3.407   3.765   6.433
   66    HE1  DPN  11          1HE       DPH  11   8.189   3.166   7.421
   67    HE2  DPN  11          2HE       DPH  11   4.676   5.579   7.504
   68    HZ   DPN  11           HZ       DPH  11   7.070   5.283   7.999
   69    HA   MMO  12           HA       NAR  12   5.163   3.347   1.290
   70   HCB1  MMO  12          2HB       NAR  12   8.133   2.790   1.421
   71   HCB2  MMO  12          3HB       NAR  12   7.391   4.182   0.642
   72   HCG1  MMO  12          2HG       NAR  12   6.549   4.965   2.774
   73   HCG2  MMO  12          3HG       NAR  12   7.202   3.536   3.577
   74   HCD1  MMO  12          2HD       NAR  12   8.969   5.372   2.000
   75   HCD2  MMO  12          3HD       NAR  12   8.544   5.736   3.671
   76   HH21  MMO  12          1HH2      NAR  12  11.609   2.574   4.162
   77   HH22  MMO  12          2HH2      NAR  12  12.888   3.642   3.693
   78   HH11  MMO  12          1HH1      NAR  12  10.752   6.118   2.453
   79    HC1  MMO  12          2HN       NAR  12   7.215   0.344   3.166
   80    HC2  MMO  12          3HN       NAR  12   7.264   0.453   1.389
   81    HC3  MMO  12           H        NAR  12   5.926  -0.402   2.192
   82    HE   MMO  12           HE       NAR  12   9.442   3.189   3.803
   83   HH12  MMO  12          2HH1      NAR  12  12.401   5.660   2.721
   84    H    TRP  13           H        TRP  13   4.043   2.214  -0.286
   85    HA   TRP  13           HA       TRP  13   5.643   1.424  -2.577
   86    HB3  TRP  13          2HB       TRP  13   4.052  -0.665  -2.754
   87    HD1  TRP  13           HD       TRP  13   5.916  -1.365   0.424
   88    HE1  TRP  13          1HE       TRP  13   8.151  -2.520  -0.116
   89    HE3  TRP  13          3HE       TRP  13   5.987  -0.666  -4.639
   90    HZ2  TRP  13          2HZ       TRP  13   9.737  -3.062  -2.389
   91    HZ3  TRP  13          3HZ       TRP  13   7.899  -1.533  -5.922
   92    HH2  TRP  13           HH       TRP  13   9.735  -2.706  -4.819
   93    H    ARG  14           H        ARG  14   4.300   1.093  -4.527
   94    HA   ARG  14           HA       ARG  14   2.351   3.153  -4.750
   95    HB3  ARG  14          2HB       ARG  14   2.210   2.553  -7.061
   96    HG3  ARG  14          2HG       ARG  14   5.013   2.014  -6.103
   97    HD3  ARG  14          2HD       ARG  14   3.963   2.728  -8.838
   98    HE   ARG  14           HE       ARG  14   6.504   3.282  -7.780
   99   HH11  ARG  14          1HH2      ARG  14   8.239   3.798  -9.168
  100   HH12  ARG  14          2HH2      ARG  14   8.164   3.336 -10.835
  101   HH21  ARG  14          1HH1      ARG  14   5.017   1.832 -10.575
  102   HH22  ARG  14          2HH1      ARG  14   6.331   2.219 -11.635
  Start of MODEL   14
    1    H1   CYS   1           H        CYS   1   0.183   2.568  -4.018
    2    HA   CYS   1           HA       CYS   1   0.265   0.126  -2.394
    3    HB3  CYS   1          2HB       CYS   1  -1.936   1.244  -1.481
    4    H    THR   2           H        THR   2  -1.946  -0.958  -2.141
    5    HA   THR   2           HA       THR   2  -2.878  -1.631  -4.807
    6    HB   THR   2           HB       THR   2  -4.127  -3.441  -3.707
    7    HG1  THR   2          1HG       THR   2  -4.547  -3.290  -1.645
    8   HG21  THR   2          1HG2      THR   2  -1.264  -3.218  -2.768
    9   HG22  THR   2          2HG2      THR   2  -1.800  -3.837  -4.329
   10   HG23  THR   2          3HG2      THR   2  -2.205  -4.706  -2.849
   11    H    ALA   3           H        ALA   3  -5.058  -1.585  -5.463
   12    HA   ALA   3           HA       ALA   3  -6.544   0.648  -4.390
   13    HB1  ALA   3          1HB       ALA   3  -7.444  -1.182  -6.596
   14    HB2  ALA   3          2HB       ALA   3  -7.900   0.498  -6.308
   15    HB3  ALA   3          3HB       ALA   3  -6.270   0.110  -6.856
   16    H    SER   4           H        SER   4  -6.501  -1.029  -2.364
   17    HA   SER   4           HA       SER   4  -9.027  -2.534  -2.433
   18    HB3  SER   4          2HB       SER   4  -7.502  -4.090  -1.694
   19    HG   SER   4           HG       SER   4  -5.992  -2.752   0.088
   20    H    ILE   5           H        ILE   5 -10.128  -2.606  -0.204
   21    HA   ILE   5           HA       ILE   5  -9.950  -0.040   1.194
   22    HB   ILE   5           HB       ILE   5 -11.685   0.409  -0.377
   23   HG13  ILE   5          2HG1      ILE   5 -12.026   0.773   2.216
   24   HG21  ILE   5          1HG2      ILE   5 -12.219  -2.386  -0.107
   25   HG22  ILE   5          2HG2      ILE   5 -13.702  -1.476   0.180
   26   HG23  ILE   5          3HG2      ILE   5 -12.809  -1.254  -1.324
   27   HD11  ILE   5          1HD1      ILE   5 -13.387   2.362   1.518
   28   HD12  ILE   5          2HD1      ILE   5 -13.515   1.562  -0.050
   29   HD13  ILE   5          3HD1      ILE   5 -14.656   1.171   1.237
   30    HA   PRO   6           HA       PRO   6  -9.278   0.454   2.875
   31    HB3  PRO   6          2HB       PRO   6  -8.945   0.349   5.145
   32    HG3  PRO   6          2HG       PRO   6  -9.020  -1.682   6.276
   33    HD3  PRO   6          2HD       PRO   6 -10.989  -1.816   5.086
   34    HA   PRO   7           HA       PRO   7  -6.045  -0.754   0.153
   35    HB3  PRO   7          2HB       PRO   7  -5.485   1.467  -0.032
   36    HG3  PRO   7          2HG       PRO   7  -5.561   2.881   1.812
   37    HD3  PRO   7          2HD       PRO   7  -7.647   1.912   1.969
   38    H    ILE   8           H        ILE   8  -4.130  -1.944  -0.032
   39    HA   ILE   8           HA       ILE   8  -3.079  -2.991   2.514
   40    HB   ILE   8           HB       ILE   8  -3.212  -4.365  -0.172
   41   HG13  ILE   8          2HG1      ILE   8  -5.294  -4.032   1.457
   42   HG21  ILE   8          1HG2      ILE   8  -2.634  -6.241   1.786
   43   HG22  ILE   8          2HG2      ILE   8  -1.520  -5.599   0.581
   44   HG23  ILE   8          3HG2      ILE   8  -1.604  -4.865   2.181
   45   HD11  ILE   8          1HD1      ILE   8  -6.357  -5.722   0.390
   46   HD12  ILE   8          2HD1      ILE   8  -4.941  -5.591  -0.652
   47   HD13  ILE   8          3HD1      ILE   8  -5.010  -6.844   0.584
   48    H    CYS   9           H        CYS   9  -1.209  -2.001   2.937
   49    HA   CYS   9           HA       CYS   9   0.823  -1.944   0.810
   50    HB3  CYS   9          2HB       CYS   9   1.469   0.245   1.286
   51    HA   E9V  10           HA       NHI  10   3.288  -3.168   4.246
   52    HB2  E9V  10          2HB       NHI  10   5.315  -3.167   2.008
   53    HB3  E9V  10          3HB       NHI  10   5.277  -4.219   3.420
   54    HD1  E9V  10          1HD       NHI  10   3.417  -6.090   3.434
   55    HD2  E9V  10          2HD       NHI  10   3.814  -4.017  -0.144
   56    HE1  E9V  10          1HE       NHI  10   2.201  -7.469   1.719
   57    HN3  E9V  10          3HN       NHI  10   4.058  -2.031   0.869
   58    HN1  E9V  10           H        NHI  10   3.470  -0.462   1.468
   59    HN2  E9V  10          2HN       NHI  10   2.378  -1.532   0.559
   60    H    DPN  11           H        DPH  11   3.307  -0.186   3.454
   61    HA   DPN  11           HA       DPH  11   5.910   0.518   4.629
   62    HB2  DPN  11          2HB       DPH  11   3.813   0.556   6.208
   63    HB3  DPN  11          3HB       DPH  11   3.456   2.064   5.375
   64    HD1  DPN  11          1HD       DPH  11   4.785   0.851   8.250
   65    HD2  DPN  11          2HD       DPH  11   5.797   3.516   5.088
   66    HE1  DPN  11          1HE       DPH  11   6.334   2.038   9.750
   67    HE2  DPN  11          2HE       DPH  11   7.347   4.706   6.582
   68    HZ   DPN  11           HZ       DPH  11   7.617   3.968   8.917
   69    HA   MMO  12           HA       NAR  12   5.135   3.358   1.270
   70   HCB1  MMO  12          2HB       NAR  12   8.088   2.816   1.594
   71   HCB2  MMO  12          3HB       NAR  12   7.446   4.088   0.564
   72   HCG1  MMO  12          2HG       NAR  12   6.346   5.081   2.543
   73   HCG2  MMO  12          3HG       NAR  12   7.115   3.849   3.546
   74   HCD1  MMO  12          2HD       NAR  12   8.418   5.865   3.652
   75   HCD2  MMO  12          3HD       NAR  12   9.323   4.649   2.749
   76   HH21  MMO  12          1HH2      NAR  12   8.882   7.841  -0.277
   77   HH22  MMO  12          2HH2      NAR  12  10.423   8.442   0.232
   78   HH11  MMO  12          1HH1      NAR  12  10.600   6.410   3.072
   79    HC1  MMO  12          2HN       NAR  12   7.193   0.391   3.195
   80    HC2  MMO  12          3HN       NAR  12   7.255   0.479   1.419
   81    HC3  MMO  12           H        NAR  12   5.917  -0.378   2.222
   82    HE   MMO  12           HE       NAR  12   7.836   6.238   0.962
   83   HH12  MMO  12          2HH1      NAR  12  11.402   7.628   2.137
   84    H    TRP  13           H        TRP  13   4.039   2.201  -0.307
   85    HA   TRP  13           HA       TRP  13   5.674   1.387  -2.568
   86    HB3  TRP  13          2HB       TRP  13   4.053  -0.690  -2.738
   87    HD1  TRP  13           HD       TRP  13   5.945  -1.346   0.441
   88    HE1  TRP  13          1HE       TRP  13   8.161  -2.539  -0.101
   89    HE3  TRP  13          3HE       TRP  13   5.953  -0.771  -4.638
   90    HZ2  TRP  13          2HZ       TRP  13   9.708  -3.154  -2.381
   91    HZ3  TRP  13          3HZ       TRP  13   7.838  -1.691  -5.926
   92    HH2  TRP  13           HH       TRP  13   9.676  -2.855  -4.819
   93    H    ARG  14           H        ARG  14   4.313   0.964  -4.521
   94    HA   ARG  14           HA       ARG  14   2.417   3.068  -4.830
   95    HB3  ARG  14          2HB       ARG  14   2.169   2.213  -7.126
   96    HG3  ARG  14          2HG       ARG  14   4.696   2.070  -7.706
   97    HD3  ARG  14          2HD       ARG  14   3.030   4.086  -7.714
   98    HE   ARG  14           HE       ARG  14   3.082   5.136  -5.677
   99   HH11  ARG  14          1HH2      ARG  14   4.043   6.336  -3.993
  100   HH12  ARG  14          2HH2      ARG  14   5.769   6.399  -3.869
  101   HH21  ARG  14          1HH1      ARG  14   6.333   4.377  -6.665
  102   HH22  ARG  14          2HH1      ARG  14   7.071   5.286  -5.390
  Start of MODEL   15
    1    H1   CYS   1           H        CYS   1   0.542   2.631  -3.679
    2    HA   CYS   1           HA       CYS   1   0.253   0.127  -2.362
    3    HB3  CYS   1          2HB       CYS   1  -1.931   1.363  -1.532
    4    H    THR   2           H        THR   2  -1.933  -0.940  -2.141
    5    HA   THR   2           HA       THR   2  -2.894  -1.580  -4.803
    6    HB   THR   2           HB       THR   2  -4.109  -3.410  -3.747
    7    HG1  THR   2          1HG       THR   2  -4.714  -2.496  -1.790
    8   HG21  THR   2          1HG2      THR   2  -1.289  -3.137  -2.698
    9   HG22  THR   2          2HG2      THR   2  -1.762  -3.792  -4.265
   10   HG23  THR   2          3HG2      THR   2  -2.204  -4.641  -2.785
   11    H    ALA   3           H        ALA   3  -5.061  -1.471  -5.461
   12    HA   ALA   3           HA       ALA   3  -6.527   0.744  -4.323
   13    HB1  ALA   3          1HB       ALA   3  -7.222  -1.031  -6.659
   14    HB2  ALA   3          2HB       ALA   3  -8.016   0.484  -6.228
   15    HB3  ALA   3          3HB       ALA   3  -6.332   0.489  -6.752
   16    H    SER   4           H        SER   4  -6.507  -0.996  -2.350
   17    HA   SER   4           HA       SER   4  -9.050  -2.472  -2.474
   18    HB3  SER   4          2HB       SER   4  -7.489  -4.047  -1.807
   19    HG   SER   4           HG       SER   4  -6.109  -2.743   0.126
   20    H    ILE   5           H        ILE   5 -10.158  -2.602  -0.251
   21    HA   ILE   5           HA       ILE   5  -9.959  -0.079   1.223
   22    HB   ILE   5           HB       ILE   5 -11.697   0.417  -0.334
   23   HG13  ILE   5          2HG1      ILE   5 -12.028   0.778   2.233
   24   HG21  ILE   5          1HG2      ILE   5 -12.835  -1.212  -1.318
   25   HG22  ILE   5          2HG2      ILE   5 -12.242  -2.378  -0.135
   26   HG23  ILE   5          3HG2      ILE   5 -13.721  -1.472   0.185
   27   HD11  ILE   5          1HD1      ILE   5 -13.371   1.764   0.132
   28   HD12  ILE   5          2HD1      ILE   5 -14.676   0.917   0.964
   29   HD13  ILE   5          3HD1      ILE   5 -13.749   2.155   1.810
   30    HA   PRO   6           HA       PRO   6  -9.304   0.380   2.919
   31    HB3  PRO   6          2HB       PRO   6  -8.975   0.218   5.188
   32    HG3  PRO   6          2HG       PRO   6  -9.047  -1.841   6.266
   33    HD3  PRO   6          2HD       PRO   6 -11.012  -1.952   5.066
   34    HA   PRO   7           HA       PRO   7  -6.056  -0.747   0.177
   35    HB3  PRO   7          2HB       PRO   7  -5.503   1.480   0.051
   36    HG3  PRO   7          2HG       PRO   7  -5.589   2.845   1.933
   37    HD3  PRO   7          2HD       PRO   7  -7.672   1.866   2.057
   38    H    ILE   8           H        ILE   8  -4.119  -1.905  -0.032
   39    HA   ILE   8           HA       ILE   8  -3.073  -3.015   2.490
   40    HB   ILE   8           HB       ILE   8  -3.209  -4.336  -0.223
   41   HG13  ILE   8          2HG1      ILE   8  -5.291  -4.038   1.408
   42   HG21  ILE   8          1HG2      ILE   8  -2.478  -6.360   1.135
   43   HG22  ILE   8          2HG2      ILE   8  -1.252  -5.140   0.796
   44   HG23  ILE   8          3HG2      ILE   8  -2.010  -5.211   2.387
   45   HD11  ILE   8          1HD1      ILE   8  -4.525  -6.486  -0.128
   46   HD12  ILE   8          2HD1      ILE   8  -6.051  -6.392   0.752
   47   HD13  ILE   8          3HD1      ILE   8  -5.703  -5.238  -0.535
   48    H    CYS   9           H        CYS   9  -1.204  -2.026   2.926
   49    HA   CYS   9           HA       CYS   9   0.833  -1.954   0.809
   50    HB3  CYS   9          2HB       CYS   9   1.464   0.246   1.272
   51    HA   E9V  10           HA       NHI  10   3.282  -3.126   4.276
   52    HB2  E9V  10          2HB       NHI  10   5.314  -3.139   2.038
   53    HB3  E9V  10          3HB       NHI  10   5.295  -4.162   3.472
   54    HD1  E9V  10          1HD       NHI  10   4.434  -4.220   0.005
   55    HD2  E9V  10          2HD       NHI  10   2.839  -5.898   3.453
   56    HE1  E9V  10          1HE       NHI  10   2.983  -6.117  -0.781
   57    HN3  E9V  10          3HN       NHI  10   4.068  -2.021   0.891
   58    HN1  E9V  10           H        NHI  10   3.468  -0.448   1.470
   59    HN2  E9V  10          2HN       NHI  10   2.387  -1.535   0.564
   60    H    DPN  11           H        DPH  11   3.289  -0.154   3.453
   61    HA   DPN  11           HA       DPH  11   5.879   0.578   4.640
   62    HB2  DPN  11          2HB       DPH  11   3.947   0.622   6.297
   63    HB3  DPN  11          3HB       DPH  11   3.290   1.955   5.352
   64    HD1  DPN  11          1HD       DPH  11   6.401   0.910   7.111
   65    HD2  DPN  11          2HD       DPH  11   3.889   4.118   5.880
   66    HE1  DPN  11          1HE       DPH  11   7.803   2.489   8.374
   67    HE2  DPN  11          2HE       DPH  11   5.286   5.701   7.141
   68    HZ   DPN  11           HZ       DPH  11   7.247   4.887   8.392
   69    HA   MMO  12           HA       NAR  12   5.115   3.370   1.235
   70   HCB1  MMO  12          2HB       NAR  12   8.093   2.868   1.404
   71   HCB2  MMO  12          3HB       NAR  12   7.324   4.251   0.637
   72   HCG1  MMO  12          2HG       NAR  12   6.255   4.456   3.085
   73   HCG2  MMO  12          3HG       NAR  12   7.788   3.679   3.490
   74   HCD1  MMO  12          2HD       NAR  12   8.304   5.737   1.600
   75   HCD2  MMO  12          3HD       NAR  12   7.287   6.406   2.875
   76   HH21  MMO  12          1HH2      NAR  12  11.207   5.797   4.926
   77   HH22  MMO  12          2HH2      NAR  12  12.195   4.815   3.898
   78   HH11  MMO  12          1HH1      NAR  12   9.703   4.308   1.499
   79    HC1  MMO  12          2HN       NAR  12   5.907  -0.348   2.239
   80    HC2  MMO  12          3HN       NAR  12   7.168   0.439   3.218
   81    HC3  MMO  12           H        NAR  12   7.251   0.507   1.442
   82    HE   MMO  12           HE       NAR  12   9.051   6.236   4.323
   83   HH12  MMO  12          2HH1      NAR  12  11.341   3.969   1.948
   84    H    TRP  13           H        TRP  13   4.047   2.179  -0.337
   85    HA   TRP  13           HA       TRP  13   5.720   1.340  -2.562
   86    HB3  TRP  13          2HB       TRP  13   4.099  -0.733  -2.738
   87    HD1  TRP  13           HD       TRP  13   5.909  -1.342   0.501
   88    HE1  TRP  13          1HE       TRP  13   8.131  -2.553   0.033
   89    HE3  TRP  13          3HE       TRP  13   6.042  -0.859  -4.587
   90    HZ2  TRP  13          2HZ       TRP  13   9.730  -3.215  -2.197
   91    HZ3  TRP  13          3HZ       TRP  13   7.953  -1.809  -5.813
   92    HH2  TRP  13           HH       TRP  13   9.758  -2.962  -4.639
   93    H    ARG  14           H        ARG  14   4.320   0.796  -4.509
   94    HA   ARG  14           HA       ARG  14   2.492   2.947  -4.921
   95    HB3  ARG  14          2HB       ARG  14   2.269   2.078  -7.177
   96    HG3  ARG  14          2HG       ARG  14   5.123   1.643  -6.332
   97    HD3  ARG  14          2HD       ARG  14   5.422   2.755  -8.644
   98    HE   ARG  14           HE       ARG  14   5.238   0.064  -7.994
   99   HH11  ARG  14          1HH2      ARG  14   5.863  -1.572  -9.454
  100   HH12  ARG  14          2HH2      ARG  14   5.892  -1.234 -11.152
  101   HH21  ARG  14          1HH1      ARG  14   4.837   2.081 -10.804
  102   HH22  ARG  14          2HH1      ARG  14   5.310   0.844 -11.920
  Start of MODEL   16
    1    H1   CYS   1           H        CYS   1  -0.161   2.242  -4.296
    2    HA   CYS   1           HA       CYS   1   0.261   0.061  -2.379
    3    HB3  CYS   1          2HB       CYS   1  -1.927   0.905  -1.270
    4    H    THR   2           H        THR   2  -2.048  -1.018  -2.014
    5    HA   THR   2           HA       THR   2  -2.890  -1.854  -4.664
    6    HB   THR   2           HB       THR   2  -4.032  -3.667  -3.595
    7    HG1  THR   2          1HG       THR   2  -4.601  -3.643  -1.511
    8   HG21  THR   2          1HG2      THR   2  -2.215  -4.649  -2.193
    9   HG22  THR   2          2HG2      THR   2  -1.392  -3.091  -2.250
   10   HG23  THR   2          3HG2      THR   2  -1.655  -4.003  -3.735
   11    H    ALA   3           H        ALA   3  -5.053  -1.865  -5.386
   12    HA   ALA   3           HA       ALA   3  -6.578   0.424  -4.492
   13    HB1  ALA   3          1HB       ALA   3  -7.989   0.003  -6.413
   14    HB2  ALA   3          2HB       ALA   3  -6.292  -0.063  -6.888
   15    HB3  ALA   3          3HB       ALA   3  -7.207  -1.556  -6.678
   16    H    SER   4           H        SER   4  -6.562  -1.213  -2.395
   17    HA   SER   4           HA       SER   4  -9.119  -2.666  -2.458
   18    HB3  SER   4          2HB       SER   4  -7.410  -4.153  -1.759
   19    HG   SER   4           HG       SER   4  -6.504  -2.632   0.368
   20    H    ILE   5           H        ILE   5 -10.236  -2.666  -0.232
   21    HA   ILE   5           HA       ILE   5 -10.029  -0.055   1.084
   22    HB   ILE   5           HB       ILE   5 -12.625  -1.222   0.071
   23   HG13  ILE   5          2HG1      ILE   5 -10.782   0.889  -0.927
   24   HG21  ILE   5          1HG2      ILE   5 -11.978   0.917   2.008
   25   HG22  ILE   5          2HG2      ILE   5 -13.272   1.251   0.859
   26   HG23  ILE   5          3HG2      ILE   5 -13.377  -0.152   1.922
   27   HD11  ILE   5          1HD1      ILE   5 -12.775  -0.219  -2.733
   28   HD12  ILE   5          2HD1      ILE   5 -11.020  -0.117  -2.895
   29   HD13  ILE   5          3HD1      ILE   5 -11.747  -1.441  -1.984
   30    HA   PRO   6           HA       PRO   6  -9.410   0.550   2.749
   31    HB3  PRO   6          2HB       PRO   6  -9.089   0.555   5.025
   32    HG3  PRO   6          2HG       PRO   6  -9.116  -1.425   6.244
   33    HD3  PRO   6          2HD       PRO   6 -11.073  -1.667   5.050
   34    HA   PRO   7           HA       PRO   7  -6.121  -0.685   0.105
   35    HB3  PRO   7          2HB       PRO   7  -5.615   1.540  -0.166
   36    HG3  PRO   7          2HG       PRO   7  -5.743   3.026   1.618
   37    HD3  PRO   7          2HD       PRO   7  -7.804   2.012   1.800
   38    H    ILE   8           H        ILE   8  -4.127  -1.778  -0.019
   39    HA   ILE   8           HA       ILE   8  -3.073  -2.695   2.578
   40    HB   ILE   8           HB       ILE   8  -3.211  -4.216  -0.027
   41   HG13  ILE   8          2HG1      ILE   8  -4.713  -5.722   1.242
   42   HG21  ILE   8          1HG2      ILE   8  -1.926  -4.858   2.608
   43   HG22  ILE   8          2HG2      ILE   8  -2.403  -6.116   1.470
   44   HG23  ILE   8          3HG2      ILE   8  -1.215  -4.904   0.996
   45   HD11  ILE   8          1HD1      ILE   8  -5.529  -5.305   3.352
   46   HD12  ILE   8          2HD1      ILE   8  -3.825  -4.879   3.521
   47   HD13  ILE   8          3HD1      ILE   8  -5.037  -3.612   3.323
   48    H    CYS   9           H        CYS   9  -1.081  -2.034   2.991
   49    HA   CYS   9           HA       CYS   9   0.842  -1.826   0.783
   50    HB3  CYS   9          2HB       CYS   9   1.546   0.323   1.342
   51    HA   E9V  10           HA       NHI  10   3.416  -3.289   4.042
   52    HB2  E9V  10          2HB       NHI  10   5.346  -3.193   1.721
   53    HB3  E9V  10          3HB       NHI  10   5.358  -4.316   3.077
   54    HD1  E9V  10          1HD       NHI  10   3.033  -5.850   3.167
   55    HD2  E9V  10          2HD       NHI  10   4.182  -4.229  -0.483
   56    HE1  E9V  10          1HE       NHI  10   1.832  -7.205   1.420
   57    HN3  E9V  10          3HN       NHI  10   4.075  -1.975   0.707
   58    HN1  E9V  10           H        NHI  10   3.545  -0.431   1.417
   59    HN2  E9V  10          2HN       NHI  10   2.394  -1.428   0.493
   60    H    DPN  11           H        DPH  11   3.466  -0.266   3.415
   61    HA   DPN  11           HA       DPH  11   6.119   0.317   4.544
   62    HB2  DPN  11          2HB       DPH  11   4.453   0.348   6.354
   63    HB3  DPN  11          3HB       DPH  11   3.497   1.522   5.455
   64    HD1  DPN  11          1HD       DPH  11   7.153   1.299   6.141
   65    HD2  DPN  11          2HD       DPH  11   3.550   3.518   6.598
   66    HE1  DPN  11          1HE       DPH  11   8.417   3.129   7.196
   67    HE2  DPN  11          2HE       DPH  11   4.806   5.349   7.654
   68    HZ   DPN  11           HZ       DPH  11   7.242   5.157   7.955
   69    HA   MMO  12           HA       NAR  12   5.328   3.331   1.339
   70   HCB1  MMO  12          2HB       NAR  12   8.287   2.726   1.483
   71   HCB2  MMO  12          3HB       NAR  12   7.591   4.120   0.669
   72   HCG1  MMO  12          2HG       NAR  12   7.036   3.608   3.564
   73   HCG2  MMO  12          3HG       NAR  12   8.524   4.406   3.048
   74   HCD1  MMO  12          2HD       NAR  12   7.385   6.241   2.181
   75   HCD2  MMO  12          3HD       NAR  12   5.859   5.362   2.071
   76   HH21  MMO  12          1HH2      NAR  12   5.629   7.051   6.155
   77   HH22  MMO  12          2HH2      NAR  12   5.063   8.550   5.500
   78   HH11  MMO  12          1HH1      NAR  12   5.845   7.735   2.192
   79    HC1  MMO  12          2HN       NAR  12   7.386   0.402   1.305
   80    HC2  MMO  12          3HN       NAR  12   6.039  -0.459   2.087
   81    HC3  MMO  12           H        NAR  12   7.352   0.223   3.075
   82    HE   MMO  12           HE       NAR  12   6.496   5.472   4.755
   83   HH12  MMO  12          2HH1      NAR  12   5.186   8.940   3.246
   84    H    TRP  13           H        TRP  13   4.179   2.262  -0.264
   85    HA   TRP  13           HA       TRP  13   5.667   1.691  -2.655
   86    HB3  TRP  13          2HB       TRP  13   4.308  -0.599  -2.782
   87    HD1  TRP  13           HD       TRP  13   6.627  -1.483  -0.064
   88    HE1  TRP  13          1HE       TRP  13   8.923  -2.160  -1.007
   89    HE3  TRP  13          3HE       TRP  13   6.061   0.193  -4.860
   90    HZ2  TRP  13          2HZ       TRP  13  10.312  -2.006  -3.460
   91    HZ3  TRP  13          3HZ       TRP  13   7.921  -0.109  -6.442
   92    HH2  TRP  13           HH       TRP  13  10.001  -1.186  -5.755
   93    H    ARG  14           H        ARG  14   4.401   1.771  -4.513
   94    HA   ARG  14           HA       ARG  14   2.089   3.334  -4.408
   95    HB3  ARG  14          2HB       ARG  14   3.416   3.277  -6.410
   96    HG3  ARG  14          2HG       ARG  14   2.525   0.476  -6.988
   97    HD3  ARG  14          2HD       ARG  14   4.637   2.314  -8.093
   98    HE   ARG  14           HE       ARG  14   5.706   0.348  -8.574
   99   HH11  ARG  14          1HH2      ARG  14   5.928  -1.716  -9.519
  100   HH12  ARG  14          2HH2      ARG  14   4.515  -2.571 -10.040
  101   HH21  ARG  14          1HH1      ARG  14   2.283  -0.062  -9.060
  102   HH22  ARG  14          2HH1      ARG  14   2.442  -1.631  -9.779
  Start of MODEL   17
    1    H1   CYS   1           H        CYS   1   0.599   2.527  -3.871
    2    HA   CYS   1           HA       CYS   1   0.250   0.131  -2.304
    3    HB3  CYS   1          2HB       CYS   1  -1.889   1.568  -1.617
    4    H    THR   2           H        THR   2  -1.912  -0.891  -2.101
    5    HA   THR   2           HA       THR   2  -2.934  -1.510  -4.745
    6    HB   THR   2           HB       THR   2  -4.054  -3.365  -3.756
    7    HG1  THR   2          1HG       THR   2  -4.515  -3.497  -1.631
    8   HG21  THR   2          1HG2      THR   2  -1.380  -2.943  -2.418
    9   HG22  THR   2          2HG2      THR   2  -1.675  -3.715  -3.975
   10   HG23  THR   2          3HG2      THR   2  -2.232  -4.485  -2.490
   11    H    ALA   3           H        ALA   3  -5.047  -1.241  -5.427
   12    HA   ALA   3           HA       ALA   3  -6.476   0.940  -4.181
   13    HB1  ALA   3          1HB       ALA   3  -7.575  -0.570  -6.502
   14    HB2  ALA   3          2HB       ALA   3  -7.629   1.158  -6.152
   15    HB3  ALA   3          3HB       ALA   3  -6.133   0.422  -6.728
   16    H    SER   4           H        SER   4  -6.525  -0.957  -2.337
   17    HA   SER   4           HA       SER   4  -9.121  -2.316  -2.593
   18    HB3  SER   4          2HB       SER   4  -7.266  -3.830  -2.121
   19    HG   SER   4           HG       SER   4  -5.949  -2.257  -1.014
   20    H    ILE   5           H        ILE   5 -10.247  -2.583  -0.389
   21    HA   ILE   5           HA       ILE   5  -9.974  -0.176   1.262
   22    HB   ILE   5           HB       ILE   5 -12.619  -1.140   0.167
   23   HG13  ILE   5          2HG1      ILE   5 -10.711   0.978  -0.691
   24   HG21  ILE   5          1HG2      ILE   5 -12.901  -0.240   2.364
   25   HG22  ILE   5          2HG2      ILE   5 -11.895   1.155   1.977
   26   HG23  ILE   5          3HG2      ILE   5 -13.467   0.962   1.205
   27   HD11  ILE   5          1HD1      ILE   5 -10.831  -0.355  -2.475
   28   HD12  ILE   5          2HD1      ILE   5 -12.343  -1.093  -1.944
   29   HD13  ILE   5          3HD1      ILE   5 -12.365   0.458  -2.783
   30    HA   PRO   6           HA       PRO   6  -9.376   0.211   3.000
   31    HB3  PRO   6          2HB       PRO   6  -9.074  -0.082   5.259
   32    HG3  PRO   6          2HG       PRO   6  -9.134  -2.202   6.212
   33    HD3  PRO   6          2HD       PRO   6 -11.081  -2.266   4.984
   34    HA   PRO   7           HA       PRO   7  -6.078  -0.710   0.243
   35    HB3  PRO   7          2HB       PRO   7  -5.545   1.525   0.266
   36    HG3  PRO   7          2HG       PRO   7  -5.669   2.767   2.229
   37    HD3  PRO   7          2HD       PRO   7  -7.743   1.764   2.262
   38    H    ILE   8           H        ILE   8  -4.087  -1.794  -0.008
   39    HA   ILE   8           HA       ILE   8  -3.056  -3.043   2.457
   40    HB   ILE   8           HB       ILE   8  -3.224  -4.249  -0.307
   41   HG13  ILE   8          2HG1      ILE   8  -4.812  -5.804   0.683
   42   HG21  ILE   8          1HG2      ILE   8  -1.879  -5.139   2.210
   43   HG22  ILE   8          2HG2      ILE   8  -2.502  -6.328   1.067
   44   HG23  ILE   8          3HG2      ILE   8  -1.282  -5.165   0.550
   45   HD11  ILE   8          1HD1      ILE   8  -4.873  -6.183   2.857
   46   HD12  ILE   8          2HD1      ILE   8  -3.826  -4.800   3.173
   47   HD13  ILE   8          3HD1      ILE   8  -5.573  -4.580   3.078
   48    H    CYS   9           H        CYS   9  -1.186  -2.066   2.917
   49    HA   CYS   9           HA       CYS   9   0.859  -1.962   0.817
   50    HB3  CYS   9          2HB       CYS   9   1.466   0.254   1.256
   51    HA   E9V  10           HA       NHI  10   3.276  -3.029   4.341
   52    HB2  E9V  10          2HB       NHI  10   5.336  -3.084   2.132
   53    HB3  E9V  10          3HB       NHI  10   5.297  -4.077   3.587
   54    HD1  E9V  10          1HD       NHI  10   2.426  -5.114   3.486
   55    HD2  E9V  10          2HD       NHI  10   4.922  -4.916   0.171
   56    HE1  E9V  10          1HE       NHI  10   1.518  -6.803   1.860
   57    HN3  E9V  10          3HN       NHI  10   4.091  -1.999   0.939
   58    HN1  E9V  10           H        NHI  10   3.469  -0.420   1.474
   59    HN2  E9V  10          2HN       NHI  10   2.410  -1.539   0.582
   60    H    DPN  11           H        DPH  11   3.268  -0.080   3.444
   61    HA   DPN  11           HA       DPH  11   5.839   0.699   4.642
   62    HB2  DPN  11          2HB       DPH  11   4.044   0.812   6.345
   63    HB3  DPN  11          3HB       DPH  11   3.154   1.923   5.310
   64    HD1  DPN  11          1HD       DPH  11   6.684   1.655   6.499
   65    HD2  DPN  11          2HD       DPH  11   3.216   4.081   6.055
   66    HE1  DPN  11          1HE       DPH  11   7.885   3.552   7.508
   67    HE2  DPN  11          2HE       DPH  11   4.410   5.981   7.064
   68    HZ   DPN  11           HZ       DPH  11   6.749   5.718   7.790
   69    HA   MMO  12           HA       NAR  12   5.106   3.388   1.148
   70   HCB1  MMO  12          2HB       NAR  12   8.076   2.913   1.456
   71   HCB2  MMO  12          3HB       NAR  12   7.357   4.221   0.526
   72   HCG1  MMO  12          2HG       NAR  12   6.221   4.929   2.685
   73   HCG2  MMO  12          3HG       NAR  12   7.317   3.810   3.497
   74   HCD1  MMO  12          2HD       NAR  12   8.306   5.947   1.629
   75   HCD2  MMO  12          3HD       NAR  12   8.034   6.255   3.344
   76   HH21  MMO  12          1HH2      NAR  12  11.894   4.087   3.411
   77   HH22  MMO  12          2HH2      NAR  12  12.736   5.529   2.949
   78   HH11  MMO  12          1HH1      NAR  12   9.843   7.289   2.081
   79    HC1  MMO  12          2HN       NAR  12   7.258   0.548   1.468
   80    HC2  MMO  12          3HN       NAR  12   5.905  -0.291   2.263
   81    HC3  MMO  12           H        NAR  12   7.146   0.524   3.244
   82    HE   MMO  12           HE       NAR  12   9.619   4.020   3.257
   83   HH12  MMO  12          2HH1      NAR  12  11.569   7.349   2.194
   84    H    TRP  13           H        TRP  13   4.075   2.139  -0.404
   85    HA   TRP  13           HA       TRP  13   5.801   1.239  -2.570
   86    HB3  TRP  13          2HB       TRP  13   4.157  -0.825  -2.719
   87    HD1  TRP  13           HD       TRP  13   5.941  -1.337   0.555
   88    HE1  TRP  13          1HE       TRP  13   8.151  -2.589   0.144
   89    HE3  TRP  13          3HE       TRP  13   6.097  -1.054  -4.547
   90    HZ2  TRP  13          2HZ       TRP  13   9.750  -3.354  -2.053
   91    HZ3  TRP  13          3HZ       TRP  13   8.002  -2.071  -5.727
   92    HH2  TRP  13           HH       TRP  13   9.789  -3.196  -4.503
   93    H    ARG  14           H        ARG  14   4.334   0.503  -4.483
   94    HA   ARG  14           HA       ARG  14   2.614   2.707  -5.077
   95    HB3  ARG  14          2HB       ARG  14   2.157   1.093  -7.146
   96    HG3  ARG  14          2HG       ARG  14   4.913   2.244  -6.855
   97    HD3  ARG  14          2HD       ARG  14   3.013   1.760  -9.131
   98    HE   ARG  14           HE       ARG  14   4.577   4.007  -9.024
   99   HH11  ARG  14          1HH2      ARG  14   5.394   5.062 -10.874
  100   HH12  ARG  14          2HH2      ARG  14   5.610   4.166 -12.340
  101   HH21  ARG  14          1HH1      ARG  14   4.457   1.146 -11.004
  102   HH22  ARG  14          2HH1      ARG  14   5.076   1.938 -12.415
  Start of MODEL   18
    1    H1   CYS   1           H        CYS   1   0.723   2.556  -3.683
    2    HA   CYS   1           HA       CYS   1   0.251   0.128  -2.330
    3    HB3  CYS   1          2HB       CYS   1  -1.896   1.520  -1.596
    4    H    THR   2           H        THR   2  -1.924  -0.895  -2.106
    5    HA   THR   2           HA       THR   2  -2.942  -1.529  -4.749
    6    HB   THR   2           HB       THR   2  -4.082  -3.371  -3.738
    7    HG1  THR   2          1HG       THR   2  -4.504  -3.490  -1.607
    8   HG21  THR   2          1HG2      THR   2  -1.844  -3.751  -1.981
    9   HG22  THR   2          2HG2      THR   2  -1.306  -2.967  -3.466
   10   HG23  THR   2          3HG2      THR   2  -2.171  -4.502  -3.544
   11    H    ALA   3           H        ALA   3  -5.058  -1.271  -5.431
   12    HA   ALA   3           HA       ALA   3  -6.489   0.917  -4.198
   13    HB1  ALA   3          1HB       ALA   3  -7.531  -0.636  -6.530
   14    HB2  ALA   3          2HB       ALA   3  -7.695   1.082  -6.162
   15    HB3  ALA   3          3HB       ALA   3  -6.151   0.445  -6.729
   16    H    SER   4           H        SER   4  -6.534  -0.970  -2.343
   17    HA   SER   4           HA       SER   4  -9.128  -2.336  -2.589
   18    HB3  SER   4          2HB       SER   4  -7.269  -3.842  -2.108
   19    HG   SER   4           HG       SER   4  -5.955  -2.261  -1.010
   20    H    ILE   5           H        ILE   5 -10.252  -2.591  -0.383
   21    HA   ILE   5           HA       ILE   5  -9.983  -0.175   1.255
   22    HB   ILE   5           HB       ILE   5 -12.614  -1.145   0.131
   23   HG13  ILE   5          2HG1      ILE   5 -12.654   0.952  -1.111
   24   HG21  ILE   5          1HG2      ILE   5 -11.953   0.478   2.417
   25   HG22  ILE   5          2HG2      ILE   5 -12.902   1.395   1.248
   26   HG23  ILE   5          3HG2      ILE   5 -13.520  -0.128   1.887
   27   HD11  ILE   5          1HD1      ILE   5 -10.004   1.828  -1.071
   28   HD12  ILE   5          2HD1      ILE   5 -11.433   2.686  -0.491
   29   HD13  ILE   5          3HD1      ILE   5 -10.491   1.689   0.619
   30    HA   PRO   6           HA       PRO   6  -9.389   0.222   2.992
   31    HB3  PRO   6          2HB       PRO   6  -9.088  -0.058   5.252
   32    HG3  PRO   6          2HG       PRO   6  -9.147  -2.173   6.217
   33    HD3  PRO   6          2HD       PRO   6 -11.094  -2.246   4.986
   34    HA   PRO   7           HA       PRO   7  -6.085  -0.710   0.243
   35    HB3  PRO   7          2HB       PRO   7  -5.557   1.526   0.253
   36    HG3  PRO   7          2HG       PRO   7  -5.687   2.781   2.207
   37    HD3  PRO   7          2HD       PRO   7  -7.760   1.774   2.243
   38    H    ILE   8           H        ILE   8  -4.090  -1.788   0.001
   39    HA   ILE   8           HA       ILE   8  -3.057  -3.016   2.476
   40    HB   ILE   8           HB       ILE   8  -3.222  -4.248  -0.278
   41   HG13  ILE   8          2HG1      ILE   8  -4.814  -5.792   0.723
   42   HG21  ILE   8          1HG2      ILE   8  -2.528  -6.312   1.182
   43   HG22  ILE   8          2HG2      ILE   8  -1.309  -5.204   0.554
   44   HG23  ILE   8          3HG2      ILE   8  -1.841  -5.072   2.230
   45   HD11  ILE   8          1HD1      ILE   8  -5.738  -5.431   2.949
   46   HD12  ILE   8          2HD1      ILE   8  -4.026  -5.846   3.018
   47   HD13  ILE   8          3HD1      ILE   8  -4.538  -4.174   3.245
   48    H    CYS   9           H        CYS   9  -1.179  -2.060   2.929
   49    HA   CYS   9           HA       CYS   9   0.855  -1.949   0.817
   50    HB3  CYS   9          2HB       CYS   9   1.473   0.262   1.267
   51    HA   E9V  10           HA       NHI  10   3.292  -3.050   4.315
   52    HB2  E9V  10          2HB       NHI  10   4.168  -4.017   1.958
   53    HB3  E9V  10          3HB       NHI  10   5.591  -3.099   2.443
   54    HD1  E9V  10          1HD       NHI  10   4.779  -3.878   5.589
   55    HD2  E9V  10          2HD       NHI  10   5.760  -6.357   2.403
   56    HE1  E9V  10          1HE       NHI  10   5.588  -6.020   6.628
   57    HN3  E9V  10          3HN       NHI  10   4.087  -1.997   0.917
   58    HN1  E9V  10           H        NHI  10   3.473  -0.419   1.466
   59    HN2  E9V  10          2HN       NHI  10   2.405  -1.528   0.573
   60    H    DPN  11           H        DPH  11   3.283  -0.092   3.438
   61    HA   DPN  11           HA       DPH  11   5.856   0.677   4.639
   62    HB2  DPN  11          2HB       DPH  11   3.865   0.746   6.249
   63    HB3  DPN  11          3HB       DPH  11   3.276   2.094   5.283
   64    HD1  DPN  11          1HD       DPH  11   6.254   0.955   7.196
   65    HD2  DPN  11          2HD       DPH  11   3.969   4.248   5.762
   66    HE1  DPN  11          1HE       DPH  11   7.665   2.495   8.495
   67    HE2  DPN  11          2HE       DPH  11   5.376   5.793   7.060
   68    HZ   DPN  11           HZ       DPH  11   7.227   4.918   8.429
   69    HA   MMO  12           HA       NAR  12   5.126   3.389   1.161
   70   HCB1  MMO  12          2HB       NAR  12   8.111   2.931   1.305
   71   HCB2  MMO  12          3HB       NAR  12   7.289   4.335   0.634
   72   HCG1  MMO  12          2HG       NAR  12   6.294   4.450   3.092
   73   HCG2  MMO  12          3HG       NAR  12   7.796   3.597   3.456
   74   HCD1  MMO  12          2HD       NAR  12   8.687   5.563   1.808
   75   HCD2  MMO  12          3HD       NAR  12   7.350   6.377   2.621
   76   HH21  MMO  12          1HH2      NAR  12  10.439   6.049   5.830
   77   HH22  MMO  12          2HH2      NAR  12  11.696   5.013   5.243
   78   HH11  MMO  12          1HH1      NAR  12  10.048   4.221   2.262
   79    HC1  MMO  12          2HN       NAR  12   5.924  -0.299   2.258
   80    HC2  MMO  12          3HN       NAR  12   7.165   0.512   3.242
   81    HC3  MMO  12           H        NAR  12   7.277   0.546   1.466
   82    HE   MMO  12           HE       NAR  12   8.566   6.367   4.566
   83   HH12  MMO  12          2HH1      NAR  12  11.475   3.972   3.213
   84    H    TRP  13           H        TRP  13   4.096   2.149  -0.399
   85    HA   TRP  13           HA       TRP  13   5.814   1.286  -2.581
   86    HB3  TRP  13          2HB       TRP  13   4.174  -0.808  -2.704
   87    HD1  TRP  13           HD       TRP  13   5.987  -1.634   0.409
   88    HE1  TRP  13          1HE       TRP  13   8.255  -2.724  -0.130
   89    HE3  TRP  13          3HE       TRP  13   6.240  -0.558  -4.583
   90    HZ2  TRP  13          2HZ       TRP  13   9.930  -3.081  -2.374
   91    HZ3  TRP  13          3HZ       TRP  13   8.208  -1.310  -5.852
   92    HH2  TRP  13           HH       TRP  13  10.015  -2.545  -4.770
   93    H    ARG  14           H        ARG  14   4.384   0.584  -4.502
   94    HA   ARG  14           HA       ARG  14   2.599   2.734  -5.056
   95    HB3  ARG  14          2HB       ARG  14   3.886   1.882  -6.870
   96    HG3  ARG  14          2HG       ARG  14   3.043  -0.744  -5.879
   97    HD3  ARG  14          2HD       ARG  14   3.168  -0.136  -8.829
   98    HE   ARG  14           HE       ARG  14   3.739  -2.617  -7.488
   99   HH11  ARG  14          1HH2      ARG  14   4.189  -4.430  -8.797
  100   HH12  ARG  14          2HH2      ARG  14   3.799  -4.382 -10.484
  101   HH21  ARG  14          1HH1      ARG  14   2.503  -1.136 -10.386
  102   HH22  ARG  14          2HH1      ARG  14   2.841  -2.508 -11.388
  Start of MODEL   19
    1    H1   CYS   1           H        CYS   1  -0.034   2.633  -3.890
    2    HA   CYS   1           HA       CYS   1   0.329   0.112  -2.451
    3    HB3  CYS   1          2HB       CYS   1  -1.872   0.947  -1.330
    4    H    THR   2           H        THR   2  -1.985  -0.970  -2.058
    5    HA   THR   2           HA       THR   2  -2.846  -1.810  -4.700
    6    HB   THR   2           HB       THR   2  -4.090  -3.569  -3.545
    7    HG1  THR   2          1HG       THR   2  -4.640  -2.333  -1.662
    8   HG21  THR   2          1HG2      THR   2  -2.250  -4.826  -3.196
    9   HG22  THR   2          2HG2      THR   2  -1.580  -3.696  -2.018
   10   HG23  THR   2          3HG2      THR   2  -1.386  -3.390  -3.745
   11    H    ALA   3           H        ALA   3  -5.010  -1.813  -5.412
   12    HA   ALA   3           HA       ALA   3  -6.532   0.470  -4.501
   13    HB1  ALA   3          1HB       ALA   3  -6.227  -0.053  -6.910
   14    HB2  ALA   3          2HB       ALA   3  -7.221  -1.491  -6.683
   15    HB3  ALA   3          3HB       ALA   3  -7.916   0.110  -6.428
   16    H    SER   4           H        SER   4  -6.524  -1.149  -2.406
   17    HA   SER   4           HA       SER   4  -9.064  -2.630  -2.474
   18    HB3  SER   4          2HB       SER   4  -7.509  -4.162  -1.696
   19    HG   SER   4           HG       SER   4  -5.700  -3.635  -0.596
   20    H    ILE   5           H        ILE   5 -10.197  -2.626  -0.258
   21    HA   ILE   5           HA       ILE   5 -10.009  -0.027   1.074
   22    HB   ILE   5           HB       ILE   5 -11.704   0.407  -0.546
   23   HG13  ILE   5          2HG1      ILE   5 -12.086   0.905   1.994
   24   HG21  ILE   5          1HG2      ILE   5 -12.316  -2.370  -0.179
   25   HG22  ILE   5          2HG2      ILE   5 -13.777  -1.402   0.002
   26   HG23  ILE   5          3HG2      ILE   5 -12.815  -1.279  -1.470
   27   HD11  ILE   5          1HD1      ILE   5 -14.670   0.999   0.556
   28   HD12  ILE   5          2HD1      ILE   5 -13.850   2.238   1.503
   29   HD13  ILE   5          3HD1      ILE   5 -13.308   1.879  -0.136
   30    HA   PRO   6           HA       PRO   6  -9.402   0.524   2.762
   31    HB3  PRO   6          2HB       PRO   6  -9.135   0.481   5.043
   32    HG3  PRO   6          2HG       PRO   6  -9.251  -1.516   6.228
   33    HD3  PRO   6          2HD       PRO   6 -11.185  -1.680   4.983
   34    HA   PRO   7           HA       PRO   7  -6.092  -0.769   0.172
   35    HB3  PRO   7          2HB       PRO   7  -5.526   1.445  -0.065
   36    HG3  PRO   7          2HG       PRO   7  -5.654   2.913   1.733
   37    HD3  PRO   7          2HD       PRO   7  -7.744   1.951   1.859
   38    H    ILE   8           H        ILE   8  -4.010  -1.785   0.083
   39    HA   ILE   8           HA       ILE   8  -3.050  -2.770   2.690
   40    HB   ILE   8           HB       ILE   8  -3.233  -4.325   0.106
   41   HG13  ILE   8          2HG1      ILE   8  -4.843  -5.715   1.278
   42   HG21  ILE   8          1HG2      ILE   8  -2.596  -6.157   1.972
   43   HG22  ILE   8          2HG2      ILE   8  -1.407  -5.337   0.961
   44   HG23  ILE   8          3HG2      ILE   8  -1.720  -4.761   2.597
   45   HD11  ILE   8          1HD1      ILE   8  -4.569  -3.832   3.609
   46   HD12  ILE   8          2HD1      ILE   8  -5.720  -5.161   3.460
   47   HD13  ILE   8          3HD1      ILE   8  -3.992  -5.498   3.563
   48    H    CYS   9           H        CYS   9  -1.139  -1.852   3.048
   49    HA   CYS   9           HA       CYS   9   0.831  -1.853   0.860
   50    HB3  CYS   9          2HB       CYS   9   1.562   0.305   1.357
   51    HA   E9V  10           HA       NHI  10   3.378  -3.225   4.181
   52    HB2  E9V  10          2HB       NHI  10   4.023  -4.323   1.936
   53    HB3  E9V  10          3HB       NHI  10   5.412  -3.240   1.963
   54    HD1  E9V  10          1HD       NHI  10   3.821  -5.815   4.275
   55    HD2  E9V  10          2HD       NHI  10   7.548  -4.314   3.220
   56    HE1  E9V  10          1HE       NHI  10   5.489  -7.198   5.552
   57    HN3  E9V  10          3HN       NHI  10   4.064  -2.039   0.802
   58    HN   E9V  10           H        NHI  10   3.546  -0.467   1.456
   59    HN2  E9V  10          2HN       NHI  10   2.390  -1.484   0.563
   60    H    DPN  11           H        DPH  11   3.462  -0.231   3.454
   61    HA   DPN  11           HA       DPH  11   6.128   0.367   4.542
   62    HB2  DPN  11          2HB       DPH  11   4.094   0.431   6.202
   63    HB3  DPN  11          3HB       DPH  11   3.753   1.969   5.417
   64    HD1  DPN  11          1HD       DPH  11   5.167   0.641   8.205
   65    HD2  DPN  11          2HD       DPH  11   6.112   3.367   5.076
   66    HE1  DPN  11          1HE       DPH  11   6.809   1.745   9.668
   67    HE2  DPN  11          2HE       DPH  11   7.754   4.477   6.533
   68    HZ   DPN  11           HZ       DPH  11   8.105   3.666   8.832
   69    HA   MMO  12           HA       NAR  12   5.312   3.310   1.281
   70   HCB1  MMO  12          2HB       NAR  12   8.245   2.660   1.538
   71   HCB2  MMO  12          3HB       NAR  12   7.655   3.918   0.462
   72   HCG1  MMO  12          2HG       NAR  12   6.547   4.961   2.468
   73   HCG2  MMO  12          3HG       NAR  12   7.449   3.809   3.456
   74   HCD1  MMO  12          2HD       NAR  12   9.506   4.743   2.884
   75   HCD2  MMO  12          3HD       NAR  12   8.849   5.546   1.459
   76   HH21  MMO  12          1HH2      NAR  12   8.221   8.602   4.603
   77   HH22  MMO  12          2HH2      NAR  12   9.906   8.997   4.635
   78   HH11  MMO  12          1HH1      NAR  12  10.891   6.202   2.776
   79    HC1  MMO  12          2HN       NAR  12   7.342   0.359   1.279
   80    HC2  MMO  12          3HN       NAR  12   6.008  -0.472   2.114
   81    HC3  MMO  12           H        NAR  12   7.345   0.233   3.054
   82    HE   MMO  12           HE       NAR  12   7.529   6.716   3.522
   83   HH12  MMO  12          2HH1      NAR  12  11.426   7.632   3.596
   84    H    TRP  13           H        TRP  13   4.112   2.243  -0.278
   85    HA   TRP  13           HA       TRP  13   5.590   1.484  -2.648
   86    HB3  TRP  13          2HB       TRP  13   3.986  -0.628  -2.747
   87    HD1  TRP  13           HD       TRP  13   6.073  -1.606   0.145
   88    HE1  TRP  13          1HE       TRP  13   8.300  -2.620  -0.653
   89    HE3  TRP  13          3HE       TRP  13   5.876  -0.230  -4.776
   90    HZ2  TRP  13          2HZ       TRP  13   9.778  -2.811  -3.051
   91    HZ3  TRP  13          3HZ       TRP  13   7.737  -0.868  -6.254
   92    HH2  TRP  13           HH       TRP  13   9.647  -2.131  -5.408
   93    H    ARG  14           H        ARG  14   4.306   1.470  -4.549
   94    HA   ARG  14           HA       ARG  14   2.180   3.343  -4.518
   95    HB3  ARG  14          2HB       ARG  14   3.594   3.194  -6.457
   96    HG3  ARG  14          2HG       ARG  14   2.515   0.649  -7.451
   97    HD3  ARG  14          2HD       ARG  14   5.402   1.251  -7.394
   98    HE   ARG  14           HE       ARG  14   5.128  -0.230  -9.099
   99   HH11  ARG  14          1HH2      ARG  14   4.233  -1.095 -11.011
  100   HH12  ARG  14          2HH2      ARG  14   2.794  -0.396 -11.671
  101   HH21  ARG  14          1HH1      ARG  14   2.485   2.035  -9.177
  102   HH22  ARG  14          2HH1      ARG  14   1.798   1.386 -10.629
  Start of MODEL   20
    1    H1   CYS   1           H        CYS   1   0.505   2.661  -3.580
    2    HA   CYS   1           HA       CYS   1   0.269   0.124  -2.376
    3    HB3  CYS   1          2HB       CYS   1  -1.928   1.240  -1.457
    4    H    THR   2           H        THR   2  -1.950  -0.951  -2.112
    5    HA   THR   2           HA       THR   2  -2.881  -1.647  -4.771
    6    HB   THR   2           HB       THR   2  -4.185  -3.413  -3.608
    7    HG1  THR   2          1HG       THR   2  -2.813  -2.726  -1.233
    8   HG21  THR   2          1HG2      THR   2  -2.189  -4.318  -4.247
    9   HG22  THR   2          2HG2      THR   2  -2.003  -4.462  -2.499
   10   HG23  THR   2          3HG2      THR   2  -1.240  -3.127  -3.360
   11    H    ALA   3           H        ALA   3  -5.045  -1.572  -5.447
   12    HA   ALA   3           HA       ALA   3  -6.533   0.660  -4.375
   13    HB1  ALA   3          1HB       ALA   3  -8.123   0.047  -6.273
   14    HB2  ALA   3          2HB       ALA   3  -6.505   0.589  -6.718
   15    HB3  ALA   3          3HB       ALA   3  -6.903  -1.130  -6.758
   16    H    SER   4           H        SER   4  -6.514  -1.028  -2.358
   17    HA   SER   4           HA       SER   4  -9.047  -2.522  -2.459
   18    HB3  SER   4          2HB       SER   4  -7.566  -4.100  -1.699
   19    HG   SER   4           HG       SER   4  -5.603  -3.483  -1.337
   20    H    ILE   5           H        ILE   5 -10.171  -2.602  -0.244
   21    HA   ILE   5           HA       ILE   5  -9.993  -0.047   1.174
   22    HB   ILE   5           HB       ILE   5 -11.708   0.413  -0.422
   23   HG13  ILE   5          2HG1      ILE   5 -12.091   1.031   1.998
   24   HG21  ILE   5          1HG2      ILE   5 -13.512  -0.991  -0.952
   25   HG22  ILE   5          2HG2      ILE   5 -12.113  -2.059  -0.885
   26   HG23  ILE   5          3HG2      ILE   5 -13.247  -2.008   0.464
   27   HD11  ILE   5          1HD1      ILE   5 -13.990   2.096   1.508
   28   HD12  ILE   5          2HD1      ILE   5 -13.770   1.408  -0.101
   29   HD13  ILE   5          3HD1      ILE   5 -14.827   0.609   1.064
   30    HA   PRO   6           HA       PRO   6  -9.333   0.429   2.866
   31    HB3  PRO   6          2HB       PRO   6  -9.022   0.304   5.138
   32    HG3  PRO   6          2HG       PRO   6  -9.125  -1.733   6.254
   33    HD3  PRO   6          2HD       PRO   6 -11.082  -1.844   5.043
   34    HA   PRO   7           HA       PRO   7  -6.082  -0.783   0.165
   35    HB3  PRO   7          2HB       PRO   7  -5.508   1.435  -0.001
   36    HG3  PRO   7          2HG       PRO   7  -5.591   2.838   1.851
   37    HD3  PRO   7          2HD       PRO   7  -7.684   1.881   1.983
   38    H    ILE   8           H        ILE   8  -4.048  -1.849  -0.005
   39    HA   ILE   8           HA       ILE   8  -3.056  -2.949   2.545
   40    HB   ILE   8           HB       ILE   8  -3.092  -4.366  -0.122
   41   HG13  ILE   8          2HG1      ILE   8  -5.356  -4.020   0.899
   42   HG21  ILE   8          1HG2      ILE   8  -2.796  -6.134   2.061
   43   HG22  ILE   8          2HG2      ILE   8  -1.631  -5.761   0.790
   44   HG23  ILE   8          3HG2      ILE   8  -1.637  -4.822   2.284
   45   HD11  ILE   8          1HD1      ILE   8  -4.542  -6.205  -0.336
   46   HD12  ILE   8          2HD1      ILE   8  -4.838  -6.913   1.252
   47   HD13  ILE   8          3HD1      ILE   8  -6.140  -6.087   0.398
   48    H    CYS   9           H        CYS   9  -1.181  -1.962   2.955
   49    HA   CYS   9           HA       CYS   9   0.843  -1.922   0.820
   50    HB3  CYS   9          2HB       CYS   9   1.497   0.265   1.283
   51    HA   E9V  10           HA       NHI  10   3.318  -3.151   4.247
   52    HB2  E9V  10          2HB       NHI  10   5.343  -3.164   2.007
   53    HB3  E9V  10          3HB       NHI  10   5.290  -4.221   3.414
   54    HD1  E9V  10          1HD       NHI  10   5.211  -5.057   0.303
   55    HD2  E9V  10          2HD       NHI  10   2.030  -5.010   2.975
   56    HE1  E9V  10          1HE       NHI  10   3.526  -6.675  -0.628
   57    HN3  E9V  10          3HN       NHI  10   4.078  -2.020   0.865
   58    HN1  E9V  10           H        NHI  10   3.500  -0.449   1.466
   59    HN2  E9V  10          2HN       NHI  10   2.399  -1.516   0.561
   60    H    DPN  11           H        DPH  11   3.347  -0.171   3.456
   61    HA   DPN  11           HA       DPH  11   5.960   0.520   4.613
   62    HB2  DPN  11          2HB       DPH  11   4.267   0.612   6.390
   63    HB3  DPN  11          3HB       DPH  11   3.294   1.705   5.413
   64    HD1  DPN  11          1HD       DPH  11   6.945   1.636   6.150
   65    HD2  DPN  11          2HD       DPH  11   3.266   3.754   6.460
   66    HE1  DPN  11          1HE       DPH  11   8.137   3.556   7.123
   67    HE2  DPN  11          2HE       DPH  11   4.453   5.677   7.434
   68    HZ   DPN  11           HZ       DPH  11   6.890   5.579   7.768
   69    HA   MMO  12           HA       NAR  12   5.180   3.358   1.250
   70   HCB1  MMO  12          2HB       NAR  12   8.147   2.806   1.428
   71   HCB2  MMO  12          3HB       NAR  12   7.422   4.170   0.589
   72   HCG1  MMO  12          2HG       NAR  12   6.938   3.685   3.508
   73   HCG2  MMO  12          3HG       NAR  12   8.354   4.565   2.929
   74   HCD1  MMO  12          2HD       NAR  12   5.533   5.297   2.178
   75   HCD2  MMO  12          3HD       NAR  12   6.366   5.977   3.576
   76   HH21  MMO  12          1HH2      NAR  12   8.115   8.348   0.280
   77   HH22  MMO  12          2HH2      NAR  12   6.903   9.542   0.596
   78   HH11  MMO  12          1HH1      NAR  12   5.044   7.508   2.748
   79    HC1  MMO  12          2HN       NAR  12   7.227   0.378   3.169
   80    HC2  MMO  12          3HN       NAR  12   7.284   0.468   1.394
   81    HC3  MMO  12           H        NAR  12   5.943  -0.381   2.198
   82    HE   MMO  12           HE       NAR  12   7.956   6.299   1.271
   83   HH12  MMO  12          2HH1      NAR  12   5.157   9.066   2.000
   84    H    TRP  13           H        TRP  13   4.069   2.202  -0.317
   85    HA   TRP  13           HA       TRP  13   5.684   1.382  -2.588
   86    HB3  TRP  13          2HB       TRP  13   4.084  -0.702  -2.751
   87    HD1  TRP  13           HD       TRP  13   5.928  -1.360   0.451
   88    HE1  TRP  13          1HE       TRP  13   8.159  -2.538  -0.060
   89    HE3  TRP  13          3HE       TRP  13   6.024  -0.752  -4.625
   90    HZ2  TRP  13          2HZ       TRP  13   9.749  -3.129  -2.315
   91    HZ3  TRP  13          3HZ       TRP  13   7.936  -1.652  -5.884
   92    HH2  TRP  13           HH       TRP  13   9.759  -2.815  -4.752
   93    H    ARG  14           H        ARG  14   4.316   0.968  -4.531
   94    HA   ARG  14           HA       ARG  14   2.410   3.063  -4.823
   95    HB3  ARG  14          2HB       ARG  14   2.049   1.798  -7.097
   96    HG3  ARG  14          2HG       ARG  14   4.786   2.908  -6.527
   97    HD3  ARG  14          2HD       ARG  14   4.808   3.534  -8.819
   98    HE   ARG  14           HE       ARG  14   4.645   0.853  -8.203
   99   HH11  ARG  14          1HH2      ARG  14   5.106  -0.790  -9.718
  100   HH12  ARG  14          2HH2      ARG  14   4.964  -0.453 -11.409
  101   HH21  ARG  14          1HH1      ARG  14   3.972   2.869 -10.959
  102   HH22  ARG  14          2HH1      ARG  14   4.320   1.628 -12.117