*HEADER    UNKNOWN FUNCTION                        17-MAR-17   5XBD              
*TITLE     DISULFIDE-CONSTRAINED WOUND HEALING PEPTIDE DERIVED FROM PERESKIA BLEO
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PB1;                                                       
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PERESKIA BLEO;                                  
*SOURCE   3 ORGANISM_TAXID: 307721                                               
*KEYWDS    DISULFIDE BOND, PERESKIA BLEO, CYSTEIN-RICH PEPTIDE CRP, ANTI-        
*KEYWDS   2 MICROBIAL PEPTIDE, UNKNOWN FUNCTION                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.XIAO,J.P.TAM                                                        
*REVDAT   1   14-FEB-18 5XBD    0                                                
# Restraints file 1: 3825noe.txt
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assign (resid 34 and name HB#) (resid 21 and name HB#) 5 3.4 3
assign (resid 35 and name HA) (resid 21 and name HB#) 5 3.4 1
assign (resid 32 and name HG#) (resid 21 and name HB#) 5 3.4 3
assign (resid 20 and name HA) (resid 21 and name HD#) 5 3.4 1
assign (resid 35 and name HN) (resid 21 and name HD#) 5 3.4 1
assign (resid 35 and name HA) (resid 21 and name HD#) 5 3.4 1
assign (resid 23 and name HG) (resid 21 and name HD#) 5 3.4 1
assign (resid 32 and name HN) (resid 21 and name HD#) 5 3.4 1
assign (resid 23 and name HD##) (resid 21 and name HD#) 5 1.8 3.4
assign (resid 3 and name HB#) (resid 21 and name HD#) 5 3.4 3
assign (resid 32 and name HG#) (resid 21 and name HD#) 5 3.4 3
assign (resid 34 and name HB#) (resid 21 and name HD#) 3.4 1.8 3
assign (resid 17 and name HB#) (resid 21 and name HD#) 5 1.8 3
assign (resid 21 and name HB#) (resid 21 and name HD#) 1.8 1 3
assign (resid 21 and name HA) (resid 21 and name HD#) 3.4 1 1
assign (resid 33 and name HA) (resid 22 and name HB#) 5 3.4 1
assign (resid 21 and name HA) (resid 22 and name HB#) 3.4 1.8 1
assign (resid 22 and name HA) (resid 23 and name HG) 5 1.8 0
assign (resid 25 and name HA) (resid 23 and name HD##) 5 3.4 2.4
assign (resid 25 and name HD#) (resid 23 and name HD##) 5 3.4 3.4
assign (resid 23 and name HA) (resid 23 and name HG) 3.4 1.8 0
assign (resid 23 and name HA) (resid 23 and name HD##) 3.4 1 1
assign (resid 9 and name HB#) (resid 24 and name HE#) 5 3.4 3
assign (resid 11 and name HB#) (resid 24 and name HE#) 5 1.8 3
assign (resid 29 and name HA) (resid 24 and name HE#) 5 3.4 1
assign (resid 15 and name HG#) (resid 24 and name HB#) 5 1.8 3
assign (resid 31 and name HA#) (resid 24 and name HB#) 5 1.8 3
assign (resid 10 and name HG#) (resid 24 and name HE#) 5 1.8 3
assign (resid 24 and name HG#) (resid 24 and name HE#) 3.4 1 3
assign (resid 28 and name HG#) (resid 25 and name HB#) 5 1.8 3
assign (resid 28 and name HB#) (resid 25 and name HB#) 5 3.4 3
assign (resid 26 and name HB#) (resid 25 and name HB#) 5 3.4 3
assign (resid 26 and name HB#) (resid 25 and name HD#) 3.4 1.8 3
assign (resid 25 and name HB#) (resid 25 and name HD#) 1.8 1 3
assign (resid 25 and name HA) (resid 25 and name HD#) 3.4 1.8 1
assign (resid 26 and name HA) (resid 26 and name HB#) 1.8 1 0.6
assign (resid 25 and name HB#) (resid 27 and name HA#) 5 3.4 1
assign (resid 24 and name HB#) (resid 28 and name HB#) 5 1.8 3
assign (resid 10 and name HG#) (resid 28 and name HB#) 5 3.4 3
assign (resid 26 and name HB#) (resid 28 and name HB#) 5 1.8 3
assign (resid 28 and name HB#) (resid 28 and name HD#) 1.8 1 3
assign (resid 28 and name HB#) (resid 30 and name HB#) 5 3.4 3
assign (resid 24 and name HG#) (resid 31 and name HA#) 5 1.8 3
assign (resid 32 and name HA) (resid 31 and name HA#) 5 3.4 1
assign (resid 8 and name HA) (resid 32 and name HG#) 5 3.4 1
assign (resid 6 and name HA#) (resid 32 and name HG#) 5 3.4 1
assign (resid 32 and name HA) (resid 32 and name HG#) 3.4 1 1
assign (resid 16 and name HG#) (resid 33 and name HB#) 5 3.4 3
assign (resid 21 and name HB#) (resid 33 and name HB#) 5 1.8 3
assign (resid 17 and name HB#) (resid 33 and name HB#) 3.4 1.8 3
assign (resid 23 and name HB#) (resid 33 and name HB#) 5 3.4 3
assign (resid 33 and name HA) (resid 34 and name HB#) 5 3.4 1
assign (resid 4 and name HD#) (resid 34 and name HB#) 5 1.8 3
assign (resid 23 and name HB#) (resid 34 and name HB#) 5 1.8 3
assign (resid 23 and name HD##) (resid 34 and name HB#) 5 1.8 3.4
assign (resid 23 and name HG) (resid 34 and name HB#) 5 3.4 1
assign (resid 34 and name HA) (resid 34 and name HB#) 1.8 1 0.6
assign (resid 34 and name HB#) (resid 35 and name HB#) 3.4 1.8 3
assign (resid 34 and name HA) (resid 35 and name HD#) 3.4 1.8 1
assign (resid 35 and name HB#) (resid 35 and name HD#) 3.4 1.8 3
assign (resid 34 and name HA) (resid 35 and name HB#) 5 3.4 1
assign (resid 5 and name HD#) (resid 35 and name HD#) 5 3.4 3
# Restraints file 2: 3825angel.txt
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -160.4   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -140.0   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -140.0   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -120.0   20.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -140.0   20.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -140.0   20.0 2
# Restraints file 3: 3825hbond.txt
assign (resid 10 and name O) (resid 13 and name HN) 2.2 0.6 0.2
assign (resid 10 and name O) (resid 13 and name N) 3.3 0.8 0.2
assign (resid 33 and name O) (resid 7 and name HN) 2.2 0.6 0.5
assign (resid 33 and name O) (resid 7 and name N) 3.3 0.8 0.2
assign (resid 7 and name O) (resid 33 and name HN) 2.2 0.6 0.2
assign (resid 7 and name O) (resid 33 and name N) 3.3 0.8 0.2
assign (resid 9 and name O) (resid 31 and name HN) 2.2 0.6 0.2
assign (resid 9 and name O) (resid 31 and name N) 3.3 0.8 0.2
assign (resid 31 and name O) (resid 9 and name HN) 2.2 0.6 0.2
assign (resid 31 and name O) (resid 9 and name N) 3.3 0.8 0.2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PCA   1           H3       PCA   1   1.206 -13.374  -5.231
    2    HA   PCA   1           HA       PCA   1   0.108 -15.545  -5.140
    3    HB2  PCA   1           HB2      PCA   1   0.215 -15.908  -2.312
    4    HB3  PCA   1           HB3      PCA   1   0.869 -16.966  -3.584
    5    HG2  PCA   1           HG2      PCA   1   2.261 -15.143  -1.855
    6    HG3  PCA   1           HG3      PCA   1   2.913 -16.340  -2.989
    7    H    CYS   2           H        CYS   2   0.181 -12.668  -3.275
    8    HA   CYS   2           HA       CYS   2  -2.752 -12.717  -3.009
    9    HB2  CYS   2           HB2      CYS   2  -1.087 -11.275  -0.979
   10    HB3  CYS   2           HB3      CYS   2  -2.716 -11.922  -0.827
   11    H    LYS   3           H        LYS   3   0.041 -11.090  -4.042
   12    HA   LYS   3           HA       LYS   3  -1.030  -8.426  -4.037
   13    HB2  LYS   3           HB2      LYS   3   1.105  -8.302  -5.758
   14    HB3  LYS   3           HB3      LYS   3   1.187  -8.023  -4.035
   15    HG2  LYS   3           HG2      LYS   3   2.944  -9.497  -4.541
   16    HG3  LYS   3           HG3      LYS   3   1.700 -10.488  -3.779
   17    HD2  LYS   3           HD2      LYS   3   1.053 -11.438  -5.840
   18    HD3  LYS   3           HD3      LYS   3   1.922 -10.214  -6.767
   19    HE2  LYS   3           HE2      LYS   3   4.041 -11.113  -6.047
   20    HE3  LYS   3           HE3      LYS   3   3.230 -12.260  -4.980
   21    HZ1  LYS   3           HZ1      LYS   3   3.031 -12.210  -7.944
   22    HZ2  LYS   3           HZ2      LYS   3   2.247 -13.310  -6.926
   23    HZ3  LYS   3           HZ3      LYS   3   3.935 -13.313  -7.033
   24    HA   PRO   4           HA       PRO   4  -2.820  -8.754  -8.132
   25    HB2  PRO   4           HB2      PRO   4  -3.438  -5.993  -8.256
   26    HB3  PRO   4           HB3      PRO   4  -4.467  -7.273  -7.593
   27    HG2  PRO   4           HG2      PRO   4  -3.358  -5.199  -6.122
   28    HG3  PRO   4           HG3      PRO   4  -3.987  -6.714  -5.456
   29    HD2  PRO   4           HD2      PRO   4  -1.154  -5.965  -6.087
   30    HD3  PRO   4           HD3      PRO   4  -1.805  -6.840  -4.685
   31    H    ASN   5           H        ASN   5  -0.125  -6.730  -7.477
   32    HA   ASN   5           HA       ASN   5   1.341  -5.484  -8.674
   33    HB2  ASN   5           HB2      ASN   5   1.781  -6.979 -11.014
   34    HB3  ASN   5           HB3      ASN   5   2.712  -7.019  -9.527
   35   HD21  ASN   5          HD21      ASN   5   2.411  -8.698  -8.079
   36   HD22  ASN   5          HD22      ASN   5   1.595 -10.158  -8.515
   37    H    GLY   6           H        GLY   6   0.412  -3.651  -9.200
   38    HA2  GLY   6           HA2      GLY   6   0.220  -2.194 -11.179
   39    HA3  GLY   6           HA3      GLY   6  -0.814  -3.433 -11.879
   40    H    ALA   7           H        ALA   7  -1.260  -2.979  -8.526
   41    HA   ALA   7           HA       ALA   7  -3.839  -1.675  -9.011
   42    HB1  ALA   7           HB1      ALA   7  -2.769  -3.066  -6.557
   43    HB2  ALA   7           HB2      ALA   7  -3.877  -3.749  -7.750
   44    HB3  ALA   7           HB3      ALA   7  -4.395  -2.408  -6.731
   45    H    LYS   8           H        LYS   8  -4.528  -0.210  -7.001
   46    HA   LYS   8           HA       LYS   8  -2.339   1.706  -6.564
   47    HB2  LYS   8           HB2      LYS   8  -5.094   2.025  -7.461
   48    HB3  LYS   8           HB3      LYS   8  -4.666   3.113  -6.146
   49    HG2  LYS   8           HG2      LYS   8  -3.178   4.278  -7.407
   50    HG3  LYS   8           HG3      LYS   8  -2.762   2.882  -8.405
   51    HD2  LYS   8           HD2      LYS   8  -4.839   3.052  -9.604
   52    HD3  LYS   8           HD3      LYS   8  -5.396   4.338  -8.534
   53    HE2  LYS   8           HE2      LYS   8  -3.576   5.776  -9.323
   54    HE3  LYS   8           HE3      LYS   8  -3.023   4.488 -10.392
   55    HZ1  LYS   8           HZ1      LYS   8  -4.356   6.113 -11.579
   56    HZ2  LYS   8           HZ2      LYS   8  -5.662   5.844 -10.539
   57    HZ3  LYS   8           HZ3      LYS   8  -5.133   4.609 -11.566
   58    H    CYS   9           H        CYS   9  -2.074   2.707  -4.653
   59    HA   CYS   9           HA       CYS   9  -3.505   1.616  -2.298
   60    HB2  CYS   9           HB2      CYS   9  -0.654   2.577  -2.637
   61    HB3  CYS   9           HB3      CYS   9  -1.384   2.280  -1.069
   62    H    THR  10           H        THR  10  -4.019   3.084  -0.628
   63    HA   THR  10           HA       THR  10  -3.557   5.926  -1.047
   64    HB   THR  10           HB       THR  10  -6.074   6.339  -0.564
   65    HG1  THR  10           HG1      THR  10  -6.006   3.633  -1.045
   66   HG21  THR  10          HG21      THR  10  -6.576   6.365  -2.969
   67   HG22  THR  10          HG22      THR  10  -5.160   5.358  -3.272
   68   HG23  THR  10          HG23      THR  10  -4.960   6.991  -2.637
   69    H    GLU  11           H        GLU  11  -4.400   7.237   0.788
   70    HA   GLU  11           HA       GLU  11  -3.361   6.461   3.217
   71    HB2  GLU  11           HB2      GLU  11  -3.865   8.782   2.498
   72    HB3  GLU  11           HB3      GLU  11  -5.571   8.469   2.773
   73    HG2  GLU  11           HG2      GLU  11  -5.244   8.252   5.108
   74    HG3  GLU  11           HG3      GLU  11  -3.491   8.243   4.925
   75    H    ILE  12           H        ILE  12  -6.482   5.714   1.966
   76    HA   ILE  12           HA       ILE  12  -7.255   4.524   4.541
   77    HB   ILE  12           HB       ILE  12  -9.593   4.759   2.985
   78   HG12  ILE  12          HG12      ILE  12  -9.662   7.356   2.946
   79   HG13  ILE  12          HG13      ILE  12  -7.905   7.257   2.913
   80   HG21  ILE  12          HG21      ILE  12  -8.648   6.298   5.392
   81   HG22  ILE  12          HG22      ILE  12  -9.486   4.747   5.395
   82   HG23  ILE  12          HG23      ILE  12 -10.318   6.198   4.834
   83   HD11  ILE  12          HD11      ILE  12  -8.818   7.533   0.682
   84   HD12  ILE  12          HD12      ILE  12  -9.780   6.067   0.879
   85   HD13  ILE  12          HD13      ILE  12  -8.019   5.969   0.842
   86    H    SER  13           H        SER  13  -6.305   3.682   1.407
   87    HA   SER  13           HA       SER  13  -7.534   1.050   1.760
   88    HB2  SER  13           HB2      SER  13  -7.498   2.560  -0.858
   89    HB3  SER  13           HB3      SER  13  -8.015   0.887  -0.661
   90    HG   SER  13           HG       SER  13  -9.245   3.248   0.254
   91    H    ILE  14           H        ILE  14  -6.405  -0.692   1.134
   92    HA   ILE  14           HA       ILE  14  -3.923  -0.449  -0.325
   93    HB   ILE  14           HB       ILE  14  -2.569  -1.677   1.381
   94   HG12  ILE  14          HG12      ILE  14  -3.507  -1.060   3.836
   95   HG13  ILE  14          HG13      ILE  14  -5.034  -1.347   3.006
   96   HG21  ILE  14          HG21      ILE  14  -2.019   0.275   2.737
   97   HG22  ILE  14          HG22      ILE  14  -3.509   1.054   2.203
   98   HG23  ILE  14          HG23      ILE  14  -2.240   0.682   1.034
   99   HD11  ILE  14          HD11      ILE  14  -4.259  -3.567   2.351
  100   HD12  ILE  14          HD12      ILE  14  -4.232  -3.360   4.102
  101   HD13  ILE  14          HD13      ILE  14  -2.730  -3.276   3.181
  102    HA   PRO  15           HA       PRO  15  -5.323  -4.537  -1.565
  103    HB2  PRO  15           HB2      PRO  15  -3.154  -5.292  -3.019
  104    HB3  PRO  15           HB3      PRO  15  -4.288  -4.056  -3.593
  105    HG2  PRO  15           HG2      PRO  15  -1.621  -3.718  -2.314
  106    HG3  PRO  15           HG3      PRO  15  -2.329  -2.866  -3.703
  107    HD2  PRO  15           HD2      PRO  15  -2.260  -1.816  -1.203
  108    HD3  PRO  15           HD3      PRO  15  -3.522  -1.430  -2.388
  109    HA   PRO  16           HA       PRO  16  -3.349  -7.495   1.183
  110    HB2  PRO  16           HB2      PRO  16  -2.939  -9.667  -0.712
  111    HB3  PRO  16           HB3      PRO  16  -4.187  -9.515   0.537
  112    HG2  PRO  16           HG2      PRO  16  -4.748  -9.438  -2.104
  113    HG3  PRO  16           HG3      PRO  16  -5.693  -8.557  -0.886
  114    HD2  PRO  16           HD2      PRO  16  -3.538  -7.536  -2.697
  115    HD3  PRO  16           HD3      PRO  16  -5.113  -6.809  -2.302
  116    H    CYS  17           H        CYS  17  -1.679  -8.147  -1.912
  117    HA   CYS  17           HA       CYS  17   0.467  -8.581  -2.449
  118    HB2  CYS  17           HB2      CYS  17   1.256  -6.287  -0.681
  119    HB3  CYS  17           HB3      CYS  17   1.939  -6.764  -2.230
  120    H    CYS  18           H        CYS  18   1.267 -10.414  -1.833
  121    HA   CYS  18           HA       CYS  18   2.228 -10.756   0.910
  122    HB2  CYS  18           HB2      CYS  18   1.439 -12.644  -1.270
  123    HB3  CYS  18           HB3      CYS  18   2.551 -13.197  -0.022
  124    H    SER  19           H        SER  19   3.388 -10.099  -2.229
  125    HA   SER  19           HA       SER  19   6.142 -10.511  -1.305
  126    HB2  SER  19           HB2      SER  19   5.166 -11.319  -4.050
  127    HB3  SER  19           HB3      SER  19   6.833 -11.399  -3.484
  128    HG   SER  19           HG       SER  19   5.255 -13.339  -3.351
  129    H    ASN  20           H        ASN  20   3.869  -8.727  -3.188
  130    HA   ASN  20           HA       ASN  20   5.854  -6.982  -4.377
  131    HB2  ASN  20           HB2      ASN  20   2.838  -6.982  -4.446
  132    HB3  ASN  20           HB3      ASN  20   3.812  -5.755  -5.232
  133   HD21  ASN  20          HD21      ASN  20   3.041  -6.298  -7.259
  134   HD22  ASN  20          HD22      ASN  20   3.521  -7.742  -8.077
  135    H    PHE  21           H        PHE  21   4.821  -4.476  -4.229
  136    HA   PHE  21           HA       PHE  21   4.868  -3.860  -1.349
  137    HB2  PHE  21           HB2      PHE  21   6.082  -1.782  -1.914
  138    HB3  PHE  21           HB3      PHE  21   6.979  -3.217  -2.367
  139    HD1  PHE  21           HD1      PHE  21   7.876  -3.386  -4.485
  140    HD2  PHE  21           HD2      PHE  21   4.741  -0.585  -3.816
  141    HE1  PHE  21           HE1      PHE  21   8.241  -2.452  -6.729
  142    HE2  PHE  21           HE2      PHE  21   5.100   0.349  -6.064
  143    HZ   PHE  21           HZ       PHE  21   6.851  -0.581  -7.521
  144    H    CYS  22           H        CYS  22   3.773  -1.970  -0.655
  145    HA   CYS  22           HA       CYS  22   1.680  -1.017  -2.498
  146    HB2  CYS  22           HB2      CYS  22   0.632  -2.358  -0.767
  147    HB3  CYS  22           HB3      CYS  22   1.513  -1.498   0.490
  148    H    LEU  23           H        LEU  23   2.213   0.943  -3.118
  149    HA   LEU  23           HA       LEU  23   4.011   2.581  -1.613
  150    HB2  LEU  23           HB2      LEU  23   2.699   2.753  -4.274
  151    HB3  LEU  23           HB3      LEU  23   3.370   4.214  -3.586
  152    HG   LEU  23           HG       LEU  23   4.891   1.661  -4.164
  153   HD11  LEU  23          HD11      LEU  23   4.614   4.272  -5.600
  154   HD12  LEU  23          HD12      LEU  23   4.498   2.629  -6.229
  155   HD13  LEU  23          HD13      LEU  23   6.066   3.289  -5.776
  156   HD21  LEU  23          HD21      LEU  23   5.675   4.217  -2.811
  157   HD22  LEU  23          HD22      LEU  23   6.858   3.370  -3.806
  158   HD23  LEU  23          HD23      LEU  23   6.128   2.556  -2.423
  159    H    ARG  24           H        ARG  24   2.170   2.313   0.093
  160    HA   ARG  24           HA       ARG  24   0.320   4.580   0.054
  161    HB2  ARG  24           HB2      ARG  24  -0.106   2.077   0.886
  162    HB3  ARG  24           HB3      ARG  24   0.559   2.706   2.381
  163    HG2  ARG  24           HG2      ARG  24  -1.742   4.067   1.007
  164    HG3  ARG  24           HG3      ARG  24  -1.992   2.689   2.073
  165    HD2  ARG  24           HD2      ARG  24  -2.278   4.473   3.511
  166    HD3  ARG  24           HD3      ARG  24  -0.587   4.060   3.773
  167    HE   ARG  24           HE       ARG  24  -0.543   5.953   1.800
  168   HH11  ARG  24          HH11      ARG  24  -1.796   5.864   5.080
  169   HH12  ARG  24          HH12      ARG  24  -1.577   7.563   5.333
  170   HH21  ARG  24          HH21      ARG  24  -0.271   8.179   2.152
  171   HH22  ARG  24          HH22      ARG  24  -0.715   8.871   3.676
  172    H    TYR  25           H        TYR  25   2.741   5.546  -0.034
  173    HA   TYR  25           HA       TYR  25   4.113   5.872   2.437
  174    HB2  TYR  25           HB2      TYR  25   4.852   6.171  -0.116
  175    HB3  TYR  25           HB3      TYR  25   4.495   7.854   0.258
  176    HD1  TYR  25           HD1      TYR  25   5.899   9.116   1.762
  177    HD2  TYR  25           HD2      TYR  25   6.668   4.995   1.041
  178    HE1  TYR  25           HE1      TYR  25   8.108   9.351   2.814
  179    HE2  TYR  25           HE2      TYR  25   8.880   5.218   2.092
  180    HH   TYR  25           HH       TYR  25   9.783   7.931   3.917
  181    H    ALA  26           H        ALA  26   4.524   7.993   3.476
  182    HA   ALA  26           HA       ALA  26   2.092   9.284   4.205
  183    HB1  ALA  26           HB1      ALA  26   3.458  10.623   5.689
  184    HB2  ALA  26           HB2      ALA  26   4.918  10.060   4.878
  185    HB3  ALA  26           HB3      ALA  26   3.920   8.924   5.784
  186    H    GLY  27           H        GLY  27   4.371   9.886   1.735
  187    HA2  GLY  27           HA2      GLY  27   3.432  12.661   1.395
  188    HA3  GLY  27           HA3      GLY  27   4.931  12.021   0.741
  189    H    GLN  28           H        GLN  28   2.311   9.875   0.466
  190    HA   GLN  28           HA       GLN  28   1.735  10.748  -2.286
  191    HB2  GLN  28           HB2      GLN  28   2.379   7.970  -1.306
  192    HB3  GLN  28           HB3      GLN  28   1.532   8.253  -2.819
  193    HG2  GLN  28           HG2      GLN  28   4.182   9.541  -2.266
  194    HG3  GLN  28           HG3      GLN  28   4.075   7.892  -2.880
  195   HE21  GLN  28          HE21      GLN  28   3.293   7.536  -4.960
  196   HE22  GLN  28          HE22      GLN  28   3.188   8.803  -6.130
  197    H    LYS  29           H        LYS  29  -0.311  10.215  -3.101
  198    HA   LYS  29           HA       LYS  29  -2.304   9.424  -1.079
  199    HB2  LYS  29           HB2      LYS  29  -2.437  11.604  -3.158
  200    HB3  LYS  29           HB3      LYS  29  -3.884  10.944  -2.411
  201    HG2  LYS  29           HG2      LYS  29  -3.057  11.623  -0.212
  202    HG3  LYS  29           HG3      LYS  29  -1.608  12.289  -0.965
  203    HD2  LYS  29           HD2      LYS  29  -2.994  13.859  -2.237
  204    HD3  LYS  29           HD3      LYS  29  -4.442  13.190  -1.485
  205    HE2  LYS  29           HE2      LYS  29  -2.185  14.393   0.101
  206    HE3  LYS  29           HE3      LYS  29  -3.546  15.344  -0.492
  207    HZ1  LYS  29           HZ1      LYS  29  -5.040  13.914   0.765
  208    HZ2  LYS  29           HZ2      LYS  29  -3.896  14.627   1.786
  209    HZ3  LYS  29           HZ3      LYS  29  -3.731  13.005   1.333
  210    H    SER  30           H        SER  30  -0.777   8.207  -3.589
  211    HA   SER  30           HA       SER  30  -2.810   6.372  -4.320
  212    HB2  SER  30           HB2      SER  30  -2.847   6.902  -6.783
  213    HB3  SER  30           HB3      SER  30  -3.645   8.116  -5.784
  214    HG   SER  30           HG       SER  30  -1.025   8.264  -6.869
  215    H    GLY  31           H        GLY  31  -1.239   4.931  -3.636
  216    HA2  GLY  31           HA2      GLY  31   1.318   4.833  -5.036
  217    HA3  GLY  31           HA3      GLY  31   0.835   3.837  -3.674
  218    H    THR  32           H        THR  32   1.835   2.088  -5.045
  219    HA   THR  32           HA       THR  32  -0.256   0.782  -6.532
  220    HB   THR  32           HB       THR  32   0.628   2.073  -8.360
  221    HG1  THR  32           HG1      THR  32   1.219  -0.674  -8.304
  222   HG21  THR  32          HG21      THR  32   3.330   1.071  -7.472
  223   HG22  THR  32          HG22      THR  32   2.798   2.738  -7.699
  224   HG23  THR  32          HG23      THR  32   3.043   1.693  -9.097
  225    H    CYS  33           H        CYS  33  -0.270  -1.262  -6.006
  226    HA   CYS  33           HA       CYS  33   1.974  -2.527  -4.750
  227    HB2  CYS  33           HB2      CYS  33  -0.322  -3.129  -4.087
  228    HB3  CYS  33           HB3      CYS  33  -0.614  -3.802  -5.685
  229    H    ALA  34           H        ALA  34   3.629  -3.146  -5.789
  230    HA   ALA  34           HA       ALA  34   3.487  -4.557  -8.334
  231    HB1  ALA  34           HB1      ALA  34   3.726  -2.230  -8.970
  232    HB2  ALA  34           HB2      ALA  34   5.230  -3.091  -9.298
  233    HB3  ALA  34           HB3      ALA  34   5.100  -2.050  -7.882
  234    H    ASN  35           H        ASN  35   5.702  -5.463  -8.915
  235    HA   ASN  35           HA       ASN  35   6.863  -6.657  -6.552
  236    HB2  ASN  35           HB2      ASN  35   7.278  -7.056  -9.509
  237    HB3  ASN  35           HB3      ASN  35   8.340  -7.814  -8.328
  238   HD21  ASN  35          HD21      ASN  35   5.186  -7.777  -9.741
  239   HD22  ASN  35          HD22      ASN  35   4.615  -9.236  -9.016
  240    H    ARG  36           H        ARG  36   8.960  -6.526  -5.843
  241    HA   ARG  36           HA       ARG  36  10.397  -4.098  -6.642
  242    HB2  ARG  36           HB2      ARG  36   9.691  -4.843  -4.180
  243    HB3  ARG  36           HB3      ARG  36  11.219  -5.706  -4.269
  244    HG2  ARG  36           HG2      ARG  36  12.382  -3.617  -4.747
  245    HG3  ARG  36           HG3      ARG  36  10.848  -2.746  -4.680
  246    HD2  ARG  36           HD2      ARG  36  10.571  -3.428  -2.343
  247    HD3  ARG  36           HD3      ARG  36  12.110  -4.285  -2.413
  248    HE   ARG  36           HE       ARG  36  12.631  -1.674  -3.164
  249   HH11  ARG  36          HH11      ARG  36  11.437  -3.285  -0.281
  250   HH12  ARG  36          HH12      ARG  36  12.064  -2.078   0.792
  251   HH21  ARG  36          HH21      ARG  36  13.198  -0.282  -0.035
  252   HH22  ARG  36          HH22      ARG  36  13.443  -0.108  -1.740
  Start of MODEL    2
    1    H    PCA   1           H3       PCA   1   2.345 -14.688  -4.532
    2    HA   PCA   1           HA       PCA   1   0.223 -15.570  -5.260
    3    HB2  PCA   1           HB2      PCA   1  -0.120 -16.019  -2.439
    4    HB3  PCA   1           HB3      PCA   1   0.593 -17.094  -3.663
    5    HG2  PCA   1           HG2      PCA   1   1.927 -15.556  -1.691
    6    HG3  PCA   1           HG3      PCA   1   2.627 -16.612  -2.930
    7    H    CYS   2           H        CYS   2  -0.018 -12.806  -3.223
    8    HA   CYS   2           HA       CYS   2  -2.942 -12.826  -3.536
    9    HB2  CYS   2           HB2      CYS   2  -3.256 -11.902  -1.334
   10    HB3  CYS   2           HB3      CYS   2  -2.304 -13.373  -1.198
   11    H    LYS   3           H        LYS   3  -0.088 -11.222  -4.205
   12    HA   LYS   3           HA       LYS   3  -1.046  -8.519  -4.084
   13    HB2  LYS   3           HB2      LYS   3   1.116  -8.466  -5.831
   14    HB3  LYS   3           HB3      LYS   3   1.165  -8.124  -4.120
   15    HG2  LYS   3           HG2      LYS   3   2.891  -9.656  -4.515
   16    HG3  LYS   3           HG3      LYS   3   1.600 -10.594  -3.767
   17    HD2  LYS   3           HD2      LYS   3   1.018 -11.622  -5.796
   18    HD3  LYS   3           HD3      LYS   3   1.884 -10.421  -6.754
   19    HE2  LYS   3           HE2      LYS   3   4.003 -11.277  -6.002
   20    HE3  LYS   3           HE3      LYS   3   3.204 -12.388  -4.890
   21    HZ1  LYS   3           HZ1      LYS   3   3.008 -12.460  -7.854
   22    HZ2  LYS   3           HZ2      LYS   3   2.233 -13.524  -6.793
   23    HZ3  LYS   3           HZ3      LYS   3   3.921 -13.516  -6.897
   24    HA   PRO   4           HA       PRO   4  -2.877  -8.635  -8.176
   25    HB2  PRO   4           HB2      PRO   4  -3.417  -5.854  -8.209
   26    HB3  PRO   4           HB3      PRO   4  -4.484  -7.128  -7.602
   27    HG2  PRO   4           HG2      PRO   4  -3.337  -5.145  -6.046
   28    HG3  PRO   4           HG3      PRO   4  -4.002  -6.671  -5.442
   29    HD2  PRO   4           HD2      PRO   4  -1.150  -5.957  -6.029
   30    HD3  PRO   4           HD3      PRO   4  -1.828  -6.875  -4.667
   31    H    ASN   5           H        ASN   5  -0.137  -6.683  -7.480
   32    HA   ASN   5           HA       ASN   5   1.346  -5.440  -8.664
   33    HB2  ASN   5           HB2      ASN   5   1.753  -6.914 -11.025
   34    HB3  ASN   5           HB3      ASN   5   2.689  -6.989  -9.542
   35   HD21  ASN   5          HD21      ASN   5   2.338  -8.673  -8.099
   36   HD22  ASN   5          HD22      ASN   5   1.502 -10.114  -8.557
   37    H    GLY   6           H        GLY   6   0.402  -3.590  -9.145
   38    HA2  GLY   6           HA2      GLY   6   0.235  -2.095 -11.103
   39    HA3  GLY   6           HA3      GLY   6  -0.809  -3.313 -11.825
   40    H    ALA   7           H        ALA   7  -1.241  -2.901  -8.463
   41    HA   ALA   7           HA       ALA   7  -3.818  -1.583  -8.919
   42    HB1  ALA   7           HB1      ALA   7  -3.879  -3.665  -7.687
   43    HB2  ALA   7           HB2      ALA   7  -4.353  -2.335  -6.631
   44    HB3  ALA   7           HB3      ALA   7  -2.737  -3.029  -6.503
   45    H    LYS   8           H        LYS   8  -4.493  -0.162  -6.872
   46    HA   LYS   8           HA       LYS   8  -2.313   1.766  -6.440
   47    HB2  LYS   8           HB2      LYS   8  -5.100   2.062  -7.236
   48    HB3  LYS   8           HB3      LYS   8  -4.652   3.118  -5.903
   49    HG2  LYS   8           HG2      LYS   8  -3.211   4.341  -7.171
   50    HG3  LYS   8           HG3      LYS   8  -2.827   2.986  -8.237
   51    HD2  LYS   8           HD2      LYS   8  -4.956   3.183  -9.340
   52    HD3  LYS   8           HD3      LYS   8  -5.471   4.430  -8.203
   53    HE2  LYS   8           HE2      LYS   8  -3.692   5.903  -9.017
   54    HE3  LYS   8           HE3      LYS   8  -3.177   4.655 -10.152
   55    HZ1  LYS   8           HZ1      LYS   8  -5.334   4.801 -11.234
   56    HZ2  LYS   8           HZ2      LYS   8  -4.565   6.308 -11.231
   57    HZ3  LYS   8           HZ3      LYS   8  -5.825   6.001 -10.145
   58    H    CYS   9           H        CYS   9  -2.004   2.721  -4.510
   59    HA   CYS   9           HA       CYS   9  -3.363   1.569  -2.141
   60    HB2  CYS   9           HB2      CYS   9  -0.489   2.418  -2.582
   61    HB3  CYS   9           HB3      CYS   9  -1.165   2.176  -0.979
   62    H    THR  10           H        THR  10  -3.903   3.003  -0.489
   63    HA   THR  10           HA       THR  10  -3.275   5.833  -0.759
   64    HB   THR  10           HB       THR  10  -5.779   6.367  -0.363
   65    HG1  THR  10           HG1      THR  10  -5.845   3.679  -1.154
   66   HG21  THR  10          HG21      THR  10  -6.201   6.497  -2.777
   67   HG22  THR  10          HG22      THR  10  -4.838   5.418  -3.072
   68   HG23  THR  10          HG23      THR  10  -4.562   7.016  -2.379
   69    H    GLU  11           H        GLU  11  -4.072   7.104   1.135
   70    HA   GLU  11           HA       GLU  11  -3.338   5.858   3.549
   71    HB2  GLU  11           HB2      GLU  11  -4.073   7.978   4.643
   72    HB3  GLU  11           HB3      GLU  11  -2.951   8.202   3.313
   73    HG2  GLU  11           HG2      GLU  11  -4.893   8.785   1.860
   74    HG3  GLU  11           HG3      GLU  11  -5.920   8.705   3.291
   75    H    ILE  12           H        ILE  12  -6.122   5.373   1.929
   76    HA   ILE  12           HA       ILE  12  -7.653   4.806   4.352
   77    HB   ILE  12           HB       ILE  12  -9.573   4.784   2.543
   78   HG12  ILE  12          HG12      ILE  12  -7.958   5.521   0.719
   79   HG13  ILE  12          HG13      ILE  12  -9.463   6.412   0.836
   80   HG21  ILE  12          HG21      ILE  12  -8.610   7.226   4.001
   81   HG22  ILE  12          HG22      ILE  12  -9.684   5.970   4.617
   82   HG23  ILE  12          HG23      ILE  12 -10.223   7.031   3.315
   83   HD11  ILE  12          HD11      ILE  12  -6.710   7.312   1.647
   84   HD12  ILE  12          HD12      ILE  12  -8.176   8.188   2.087
   85   HD13  ILE  12          HD13      ILE  12  -7.750   7.980   0.388
   86    H    SER  13           H        SER  13  -6.507   3.606   1.275
   87    HA   SER  13           HA       SER  13  -7.495   0.954   2.011
   88    HB2  SER  13           HB2      SER  13  -7.779   2.161  -0.747
   89    HB3  SER  13           HB3      SER  13  -8.149   0.488  -0.332
   90    HG   SER  13           HG       SER  13  -9.725   1.308   1.135
   91    H    ILE  14           H        ILE  14  -6.430  -0.811   1.142
   92    HA   ILE  14           HA       ILE  14  -3.965  -0.499  -0.313
   93    HB   ILE  14           HB       ILE  14  -2.590  -1.740   1.394
   94   HG12  ILE  14          HG12      ILE  14  -3.529  -1.081   3.843
   95   HG13  ILE  14          HG13      ILE  14  -5.054  -1.384   3.014
   96   HG21  ILE  14          HG21      ILE  14  -2.243   0.612   1.028
   97   HG22  ILE  14          HG22      ILE  14  -2.041   0.227   2.738
   98   HG23  ILE  14          HG23      ILE  14  -3.523   1.004   2.177
   99   HD11  ILE  14          HD11      ILE  14  -2.747  -3.307   3.223
  100   HD12  ILE  14          HD12      ILE  14  -4.270  -3.611   2.389
  101   HD13  ILE  14          HD13      ILE  14  -4.253  -3.382   4.138
  102    HA   PRO  15           HA       PRO  15  -5.305  -4.614  -1.549
  103    HB2  PRO  15           HB2      PRO  15  -3.141  -5.345  -3.014
  104    HB3  PRO  15           HB3      PRO  15  -4.274  -4.101  -3.575
  105    HG2  PRO  15           HG2      PRO  15  -1.612  -3.779  -2.273
  106    HG3  PRO  15           HG3      PRO  15  -2.302  -2.925  -3.670
  107    HD2  PRO  15           HD2      PRO  15  -2.265  -1.868  -1.177
  108    HD3  PRO  15           HD3      PRO  15  -3.522  -1.493  -2.372
  109    HA   PRO  16           HA       PRO  16  -3.282  -7.557   1.180
  110    HB2  PRO  16           HB2      PRO  16  -2.882  -9.733  -0.704
  111    HB3  PRO  16           HB3      PRO  16  -4.132  -9.572   0.541
  112    HG2  PRO  16           HG2      PRO  16  -4.676  -9.505  -2.111
  113    HG3  PRO  16           HG3      PRO  16  -5.641  -8.647  -0.894
  114    HD2  PRO  16           HD2      PRO  16  -3.508  -7.581  -2.702
  115    HD3  PRO  16           HD3      PRO  16  -5.087  -6.877  -2.285
  116    H    CYS  17           H        CYS  17  -1.639  -8.175  -1.941
  117    HA   CYS  17           HA       CYS  17   0.504  -8.584  -2.507
  118    HB2  CYS  17           HB2      CYS  17   1.316  -6.365  -0.654
  119    HB3  CYS  17           HB3      CYS  17   1.996  -6.791  -2.220
  120    H    CYS  18           H        CYS  18   1.307 -10.442  -1.965
  121    HA   CYS  18           HA       CYS  18   2.194 -10.937   0.775
  122    HB2  CYS  18           HB2      CYS  18   1.722 -12.765  -1.577
  123    HB3  CYS  18           HB3      CYS  18   2.466 -13.313  -0.080
  124    H    SER  19           H        SER  19   3.422 -10.266  -2.365
  125    HA   SER  19           HA       SER  19   6.161 -10.599  -1.352
  126    HB2  SER  19           HB2      SER  19   5.207 -11.506  -4.072
  127    HB3  SER  19           HB3      SER  19   6.899 -11.419  -3.585
  128    HG   SER  19           HG       SER  19   6.239 -13.493  -3.213
  129    H    ASN  20           H        ASN  20   3.885  -8.834  -3.216
  130    HA   ASN  20           HA       ASN  20   5.842  -7.064  -4.415
  131    HB2  ASN  20           HB2      ASN  20   2.822  -7.063  -4.419
  132    HB3  ASN  20           HB3      ASN  20   3.784  -5.835  -5.221
  133   HD21  ASN  20          HD21      ASN  20   3.016  -6.338  -7.244
  134   HD22  ASN  20          HD22      ASN  20   3.449  -7.786  -8.079
  135    H    PHE  21           H        PHE  21   4.821  -4.565  -4.204
  136    HA   PHE  21           HA       PHE  21   4.900  -4.006  -1.313
  137    HB2  PHE  21           HB2      PHE  21   6.106  -1.914  -1.862
  138    HB3  PHE  21           HB3      PHE  21   7.002  -3.347  -2.328
  139    HD1  PHE  21           HD1      PHE  21   7.905  -3.485  -4.444
  140    HD2  PHE  21           HD2      PHE  21   4.739  -0.724  -3.755
  141    HE1  PHE  21           HE1      PHE  21   8.267  -2.525  -6.677
  142    HE2  PHE  21           HE2      PHE  21   5.095   0.239  -5.992
  143    HZ   PHE  21           HZ       PHE  21   6.861  -0.660  -7.454
  144    H    CYS  22           H        CYS  22   3.826  -2.119  -0.575
  145    HA   CYS  22           HA       CYS  22   1.720  -1.130  -2.381
  146    HB2  CYS  22           HB2      CYS  22   0.703  -2.507  -0.646
  147    HB3  CYS  22           HB3      CYS  22   1.568  -1.625   0.606
  148    H    LEU  23           H        LEU  23   2.319   0.813  -2.999
  149    HA   LEU  23           HA       LEU  23   4.096   2.440  -1.454
  150    HB2  LEU  23           HB2      LEU  23   2.821   2.633  -4.134
  151    HB3  LEU  23           HB3      LEU  23   3.525   4.074  -3.436
  152    HG   LEU  23           HG       LEU  23   4.978   1.484  -4.015
  153   HD11  LEU  23          HD11      LEU  23   4.506   2.581  -6.052
  154   HD12  LEU  23          HD12      LEU  23   6.184   2.950  -5.663
  155   HD13  LEU  23          HD13      LEU  23   4.928   4.157  -5.390
  156   HD21  LEU  23          HD21      LEU  23   6.217   2.332  -2.250
  157   HD22  LEU  23          HD22      LEU  23   5.818   4.006  -2.633
  158   HD23  LEU  23          HD23      LEU  23   6.989   3.132  -3.619
  159    H    ARG  24           H        ARG  24   2.131   2.144   0.171
  160    HA   ARG  24           HA       ARG  24   0.220   4.326   0.070
  161    HB2  ARG  24           HB2      ARG  24  -0.091   1.920   1.059
  162    HB3  ARG  24           HB3      ARG  24   0.713   2.576   2.471
  163    HG2  ARG  24           HG2      ARG  24  -1.701   3.957   1.349
  164    HG3  ARG  24           HG3      ARG  24  -1.889   2.519   2.348
  165    HD2  ARG  24           HD2      ARG  24  -2.005   4.137   3.961
  166    HD3  ARG  24           HD3      ARG  24  -0.272   3.837   3.966
  167    HE   ARG  24           HE       ARG  24  -0.721   5.854   2.122
  168   HH11  ARG  24          HH11      ARG  24  -1.130   5.430   5.585
  169   HH12  ARG  24          HH12      ARG  24  -0.908   7.112   5.933
  170   HH21  ARG  24          HH21      ARG  24  -0.434   8.052   2.603
  171   HH22  ARG  24          HH22      ARG  24  -0.514   8.593   4.246
  172    H    TYR  25           H        TYR  25   2.241   5.710  -0.178
  173    HA   TYR  25           HA       TYR  25   3.743   6.312   2.207
  174    HB2  TYR  25           HB2      TYR  25   4.254   6.548  -0.476
  175    HB3  TYR  25           HB3      TYR  25   3.922   8.214  -0.020
  176    HD1  TYR  25           HD1      TYR  25   5.406   9.413   1.484
  177    HD2  TYR  25           HD2      TYR  25   6.186   5.369   0.421
  178    HE1  TYR  25           HE1      TYR  25   7.690   9.629   2.367
  179    HE2  TYR  25           HE2      TYR  25   8.473   5.572   1.302
  180    HH   TYR  25           HH       TYR  25  10.119   7.339   1.763
  181    H    ALA  26           H        ALA  26   3.887   8.496   3.108
  182    HA   ALA  26           HA       ALA  26   1.270   9.642   3.541
  183    HB1  ALA  26           HB1      ALA  26   2.351  10.993   5.239
  184    HB2  ALA  26           HB2      ALA  26   3.935  10.450   4.683
  185    HB3  ALA  26           HB3      ALA  26   2.811   9.298   5.404
  186    H    GLY  27           H        GLY  27   3.886  10.272   1.450
  187    HA2  GLY  27           HA2      GLY  27   2.889  13.005   0.919
  188    HA3  GLY  27           HA3      GLY  27   4.561  12.519   0.688
  189    H    GLN  28           H        GLN  28   1.893  10.450  -0.228
  190    HA   GLN  28           HA       GLN  28   2.299  11.121  -3.056
  191    HB2  GLN  28           HB2      GLN  28   2.339   8.387  -1.802
  192    HB3  GLN  28           HB3      GLN  28   1.977   8.614  -3.507
  193    HG2  GLN  28           HG2      GLN  28   4.171   9.766  -3.753
  194    HG3  GLN  28           HG3      GLN  28   4.527   9.339  -2.080
  195   HE21  GLN  28          HE21      GLN  28   4.101   8.154  -5.318
  196   HE22  GLN  28          HE22      GLN  28   4.786   6.590  -5.055
  197    H    LYS  29           H        LYS  29   0.266   9.453  -0.722
  198    HA   LYS  29           HA       LYS  29  -1.970   9.169  -0.469
  199    HB2  LYS  29           HB2      LYS  29  -2.051  11.602  -2.256
  200    HB3  LYS  29           HB3      LYS  29  -3.502  10.870  -1.587
  201    HG2  LYS  29           HG2      LYS  29  -2.677  11.275   0.672
  202    HG3  LYS  29           HG3      LYS  29  -1.205  11.988   0.011
  203    HD2  LYS  29           HD2      LYS  29  -2.544  13.731  -1.075
  204    HD3  LYS  29           HD3      LYS  29  -4.011  13.019  -0.401
  205    HE2  LYS  29           HE2      LYS  29  -3.174  13.435   1.859
  206    HE3  LYS  29           HE3      LYS  29  -1.704  14.139   1.187
  207    HZ1  LYS  29           HZ1      LYS  29  -3.044  15.866   0.157
  208    HZ2  LYS  29           HZ2      LYS  29  -3.283  15.846   1.831
  209    HZ3  LYS  29           HZ3      LYS  29  -4.455  15.191   0.803
  210    H    SER  30           H        SER  30  -0.429   8.172  -3.047
  211    HA   SER  30           HA       SER  30  -2.525   6.529  -4.030
  212    HB2  SER  30           HB2      SER  30  -2.440   7.312  -6.423
  213    HB3  SER  30           HB3      SER  30  -3.211   8.459  -5.328
  214    HG   SER  30           HG       SER  30  -0.550   8.903  -5.483
  215    H    GLY  31           H        GLY  31  -1.063   4.936  -3.460
  216    HA2  GLY  31           HA2      GLY  31   1.499   4.834  -4.878
  217    HA3  GLY  31           HA3      GLY  31   1.029   3.832  -3.516
  218    H    THR  32           H        THR  32   1.925   2.075  -4.904
  219    HA   THR  32           HA       THR  32  -0.222   0.825  -6.356
  220    HB   THR  32           HB       THR  32   0.662   2.115  -8.195
  221    HG1  THR  32           HG1      THR  32   1.243  -0.648  -8.194
  222   HG21  THR  32          HG21      THR  32   3.054   1.642  -8.983
  223   HG22  THR  32          HG22      THR  32   3.346   1.037  -7.352
  224   HG23  THR  32          HG23      THR  32   2.861   2.715  -7.599
  225    H    CYS  33           H        CYS  33  -0.235  -1.262  -5.962
  226    HA   CYS  33           HA       CYS  33   2.004  -2.547  -4.694
  227    HB2  CYS  33           HB2      CYS  33  -0.291  -3.141  -4.025
  228    HB3  CYS  33           HB3      CYS  33  -0.598  -3.791  -5.630
  229    H    ALA  34           H        ALA  34   3.649  -3.210  -5.736
  230    HA   ALA  34           HA       ALA  34   3.473  -4.590  -8.293
  231    HB1  ALA  34           HB1      ALA  34   5.112  -2.099  -7.842
  232    HB2  ALA  34           HB2      ALA  34   3.735  -2.269  -8.930
  233    HB3  ALA  34           HB3      ALA  34   5.232  -3.141  -9.259
  234    H    ASN  35           H        ASN  35   5.680  -5.505  -8.905
  235    HA   ASN  35           HA       ASN  35   6.859  -6.722  -6.558
  236    HB2  ASN  35           HB2      ASN  35   7.232  -7.122  -9.523
  237    HB3  ASN  35           HB3      ASN  35   8.289  -7.901  -8.352
  238   HD21  ASN  35          HD21      ASN  35   5.132  -7.812  -9.750
  239   HD22  ASN  35          HD22      ASN  35   4.539  -9.262  -9.019
  240    H    ARG  36           H        ARG  36   8.973  -6.604  -5.884
  241    HA   ARG  36           HA       ARG  36  10.415  -4.193  -6.726
  242    HB2  ARG  36           HB2      ARG  36   9.743  -4.923  -4.243
  243    HB3  ARG  36           HB3      ARG  36  11.277  -5.774  -4.352
  244    HG2  ARG  36           HG2      ARG  36  12.415  -3.682  -4.864
  245    HG3  ARG  36           HG3      ARG  36  10.877  -2.821  -4.793
  246    HD2  ARG  36           HD2      ARG  36  10.630  -3.482  -2.442
  247    HD3  ARG  36           HD3      ARG  36  12.182  -4.313  -2.519
  248    HE   ARG  36           HE       ARG  36  12.720  -1.745  -3.302
  249   HH11  ARG  36          HH11      ARG  36  11.323  -3.184  -0.418
  250   HH12  ARG  36          HH12      ARG  36  11.886  -1.920   0.624
  251   HH21  ARG  36          HH21      ARG  36  13.086  -0.176  -0.227
  252   HH22  ARG  36          HH22      ARG  36  13.445  -0.101  -1.920
  Start of MODEL    3
    1    H    PCA   1           H3       PCA   1   1.106 -13.765  -5.698
    2    HA   PCA   1           HA       PCA   1  -0.028 -15.882  -5.343
    3    HB2  PCA   1           HB2      PCA   1   0.062 -15.918  -2.497
    4    HB3  PCA   1           HB3      PCA   1   0.725 -17.117  -3.631
    5    HG2  PCA   1           HG2      PCA   1   2.146 -15.268  -2.044
    6    HG3  PCA   1           HG3      PCA   1   2.787 -16.395  -3.253
    7    H    CYS   2           H        CYS   2   0.103 -12.841  -3.731
    8    HA   CYS   2           HA       CYS   2  -2.831 -12.778  -3.541
    9    HB2  CYS   2           HB2      CYS   2  -1.118 -11.251  -1.608
   10    HB3  CYS   2           HB3      CYS   2  -2.804 -11.728  -1.453
   11    H    LYS   3           H        LYS   3   0.141 -11.036  -4.028
   12    HA   LYS   3           HA       LYS   3  -0.931  -8.487  -4.597
   13    HB2  LYS   3           HB2      LYS   3   1.451  -8.594  -6.024
   14    HB3  LYS   3           HB3      LYS   3   1.250  -7.989  -4.398
   15    HG2  LYS   3           HG2      LYS   3   3.109  -9.499  -4.451
   16    HG3  LYS   3           HG3      LYS   3   1.809 -10.252  -3.535
   17    HD2  LYS   3           HD2      LYS   3   2.490 -12.020  -4.842
   18    HD3  LYS   3           HD3      LYS   3   1.222 -11.338  -5.858
   19    HE2  LYS   3           HE2      LYS   3   2.874 -10.185  -7.206
   20    HE3  LYS   3           HE3      LYS   3   4.169 -10.736  -6.144
   21    HZ1  LYS   3           HZ1      LYS   3   4.038 -12.076  -8.146
   22    HZ2  LYS   3           HZ2      LYS   3   2.432 -12.482  -7.805
   23    HZ3  LYS   3           HZ3      LYS   3   3.672 -13.014  -6.786
   24    HA   PRO   4           HA       PRO   4  -1.977  -9.254  -8.918
   25    HB2  PRO   4           HB2      PRO   4  -3.164  -6.859  -9.386
   26    HB3  PRO   4           HB3      PRO   4  -3.889  -8.095  -8.344
   27    HG2  PRO   4           HG2      PRO   4  -2.802  -5.510  -7.606
   28    HG3  PRO   4           HG3      PRO   4  -3.753  -6.641  -6.629
   29    HD2  PRO   4           HD2      PRO   4  -0.834  -6.250  -6.713
   30    HD3  PRO   4           HD3      PRO   4  -1.830  -7.056  -5.483
   31    H    ASN   5           H        ASN   5   0.325  -6.953  -7.940
   32    HA   ASN   5           HA       ASN   5   2.026  -5.835  -8.887
   33    HB2  ASN   5           HB2      ASN   5   1.479  -7.178 -11.525
   34    HB3  ASN   5           HB3      ASN   5   2.996  -6.515 -10.936
   35   HD21  ASN   5          HD21      ASN   5   4.307  -7.740  -9.693
   36   HD22  ASN   5          HD22      ASN   5   4.002  -9.396  -9.307
   37    H    GLY   6           H        GLY   6  -0.952  -5.043  -9.289
   38    HA2  GLY   6           HA2      GLY   6  -0.372  -2.583 -10.674
   39    HA3  GLY   6           HA3      GLY   6  -1.454  -3.635 -11.567
   40    H    ALA   7           H        ALA   7  -1.349  -3.199  -8.045
   41    HA   ALA   7           HA       ALA   7  -4.140  -2.262  -8.142
   42    HB1  ALA   7           HB1      ALA   7  -3.847  -2.705  -5.555
   43    HB2  ALA   7           HB2      ALA   7  -2.534  -3.740  -6.117
   44    HB3  ALA   7           HB3      ALA   7  -4.183  -4.021  -6.676
   45    H    LYS   8           H        LYS   8  -4.795  -0.551  -6.607
   46    HA   LYS   8           HA       LYS   8  -2.729   1.517  -6.436
   47    HB2  LYS   8           HB2      LYS   8  -5.562   1.491  -7.026
   48    HB3  LYS   8           HB3      LYS   8  -5.182   2.653  -5.762
   49    HG2  LYS   8           HG2      LYS   8  -3.868   3.936  -7.147
   50    HG3  LYS   8           HG3      LYS   8  -3.539   2.596  -8.250
   51    HD2  LYS   8           HD2      LYS   8  -5.797   2.673  -9.090
   52    HD3  LYS   8           HD3      LYS   8  -6.229   3.912  -7.911
   53    HE2  LYS   8           HE2      LYS   8  -4.627   5.450  -8.947
   54    HE3  LYS   8           HE3      LYS   8  -4.198   4.208 -10.124
   55    HZ1  LYS   8           HZ1      LYS   8  -5.777   5.786 -11.040
   56    HZ2  LYS   8           HZ2      LYS   8  -6.883   5.440  -9.809
   57    HZ3  LYS   8           HZ3      LYS   8  -6.475   4.247 -10.936
   58    H    CYS   9           H        CYS   9  -2.360   2.721  -4.623
   59    HA   CYS   9           HA       CYS   9  -3.381   1.658  -2.059
   60    HB2  CYS   9           HB2      CYS   9  -0.633   2.717  -2.755
   61    HB3  CYS   9           HB3      CYS   9  -1.170   2.407  -1.111
   62    H    THR  10           H        THR  10  -3.848   3.142  -0.447
   63    HA   THR  10           HA       THR  10  -3.479   5.984  -0.922
   64    HB   THR  10           HB       THR  10  -5.978   6.346  -0.307
   65    HG1  THR  10           HG1      THR  10  -5.877   3.642  -0.802
   66   HG21  THR  10          HG21      THR  10  -6.599   6.366  -2.683
   67   HG22  THR  10          HG22      THR  10  -5.178   5.390  -3.058
   68   HG23  THR  10          HG23      THR  10  -4.984   7.026  -2.428
   69    H    GLU  11           H        GLU  11  -4.245   7.293   0.958
   70    HA   GLU  11           HA       GLU  11  -3.075   6.474   3.341
   71    HB2  GLU  11           HB2      GLU  11  -5.266   8.536   3.158
   72    HB3  GLU  11           HB3      GLU  11  -3.972   8.453   4.344
   73    HG2  GLU  11           HG2      GLU  11  -2.366   8.808   2.447
   74    HG3  GLU  11           HG3      GLU  11  -3.767   9.150   1.434
   75    H    ILE  12           H        ILE  12  -6.201   5.752   2.175
   76    HA   ILE  12           HA       ILE  12  -6.983   4.689   4.810
   77    HB   ILE  12           HB       ILE  12  -9.321   4.848   3.267
   78   HG12  ILE  12          HG12      ILE  12  -9.385   7.432   3.027
   79   HG13  ILE  12          HG13      ILE  12  -7.629   7.329   2.992
   80   HG21  ILE  12          HG21      ILE  12 -10.023   6.425   5.011
   81   HG22  ILE  12          HG22      ILE  12  -8.346   6.559   5.543
   82   HG23  ILE  12          HG23      ILE  12  -9.190   5.016   5.671
   83   HD11  ILE  12          HD11      ILE  12  -7.800   5.819   1.044
   84   HD12  ILE  12          HD12      ILE  12  -8.473   7.423   0.750
   85   HD13  ILE  12          HD13      ILE  12  -9.547   6.057   1.054
   86    H    SER  13           H        SER  13  -6.136   3.757   1.645
   87    HA   SER  13           HA       SER  13  -7.289   1.111   2.143
   88    HB2  SER  13           HB2      SER  13  -7.413   2.547  -0.515
   89    HB3  SER  13           HB3      SER  13  -7.890   0.871  -0.245
   90    HG   SER  13           HG       SER  13  -9.326   1.894   1.446
   91    H    ILE  14           H        ILE  14  -6.194  -0.645   1.386
   92    HA   ILE  14           HA       ILE  14  -3.747  -0.317  -0.122
   93    HB   ILE  14           HB       ILE  14  -2.375  -1.649   1.520
   94   HG12  ILE  14          HG12      ILE  14  -3.219  -1.043   3.999
   95   HG13  ILE  14          HG13      ILE  14  -4.786  -1.228   3.218
   96   HG21  ILE  14          HG21      ILE  14  -2.000   0.709   1.172
   97   HG22  ILE  14          HG22      ILE  14  -1.733   0.280   2.862
   98   HG23  ILE  14          HG23      ILE  14  -3.221   1.101   2.385
   99   HD11  ILE  14          HD11      ILE  14  -4.162  -3.478   2.503
  100   HD12  ILE  14          HD12      ILE  14  -4.066  -3.302   4.256
  101   HD13  ILE  14          HD13      ILE  14  -2.593  -3.289   3.286
  102    HA   PRO  15           HA       PRO  15  -5.052  -4.358  -1.560
  103    HB2  PRO  15           HB2      PRO  15  -2.838  -5.061  -2.961
  104    HB3  PRO  15           HB3      PRO  15  -3.927  -3.776  -3.515
  105    HG2  PRO  15           HG2      PRO  15  -1.311  -3.547  -2.106
  106    HG3  PRO  15           HG3      PRO  15  -1.941  -2.613  -3.477
  107    HD2  PRO  15           HD2      PRO  15  -1.982  -1.697  -0.924
  108    HD3  PRO  15           HD3      PRO  15  -3.174  -1.228  -2.150
  109    HA   PRO  16           HA       PRO  16  -3.131  -7.416   1.117
  110    HB2  PRO  16           HB2      PRO  16  -2.906  -9.594  -0.768
  111    HB3  PRO  16           HB3      PRO  16  -4.168  -9.330   0.446
  112    HG2  PRO  16           HG2      PRO  16  -4.612  -9.221  -2.240
  113    HG3  PRO  16           HG3      PRO  16  -5.580  -8.344  -1.038
  114    HD2  PRO  16           HD2      PRO  16  -3.347  -7.337  -2.759
  115    HD3  PRO  16           HD3      PRO  16  -4.900  -6.567  -2.360
  116    H    CYS  17           H        CYS  17  -1.637  -7.965  -2.081
  117    HA   CYS  17           HA       CYS  17   0.451  -8.549  -2.723
  118    HB2  CYS  17           HB2      CYS  17   1.306  -6.227  -1.000
  119    HB3  CYS  17           HB3      CYS  17   2.052  -6.797  -2.489
  120    H    CYS  18           H        CYS  18   1.018 -10.475  -2.023
  121    HA   CYS  18           HA       CYS  18   2.103 -10.828   0.657
  122    HB2  CYS  18           HB2      CYS  18   1.285 -12.716  -1.531
  123    HB3  CYS  18           HB3      CYS  18   2.255 -13.277  -0.172
  124    H    SER  19           H        SER  19   3.316 -10.086  -2.412
  125    HA   SER  19           HA       SER  19   6.030 -10.695  -1.508
  126    HB2  SER  19           HB2      SER  19   4.904 -11.597  -4.161
  127    HB3  SER  19           HB3      SER  19   6.629 -11.552  -3.799
  128    HG   SER  19           HG       SER  19   4.678 -13.305  -2.939
  129    H    ASN  20           H        ASN  20   3.873  -8.609  -3.121
  130    HA   ASN  20           HA       ASN  20   6.055  -7.066  -4.331
  131    HB2  ASN  20           HB2      ASN  20   3.061  -6.829  -4.677
  132    HB3  ASN  20           HB3      ASN  20   4.232  -5.773  -5.447
  133   HD21  ASN  20          HD21      ASN  20   2.374  -7.266  -6.848
  134   HD22  ASN  20          HD22      ASN  20   3.202  -8.458  -7.785
  135    H    PHE  21           H        PHE  21   4.758  -4.519  -4.303
  136    HA   PHE  21           HA       PHE  21   4.899  -3.875  -1.436
  137    HB2  PHE  21           HB2      PHE  21   5.965  -1.745  -2.033
  138    HB3  PHE  21           HB3      PHE  21   6.910  -3.112  -2.583
  139    HD1  PHE  21           HD1      PHE  21   4.392  -0.628  -3.858
  140    HD2  PHE  21           HD2      PHE  21   7.761  -3.089  -4.705
  141    HE1  PHE  21           HE1      PHE  21   4.593   0.397  -6.087
  142    HE2  PHE  21           HE2      PHE  21   7.958  -2.064  -6.926
  143    HZ   PHE  21           HZ       PHE  21   6.376  -0.313  -7.616
  144    H    CYS  22           H        CYS  22   4.013  -1.653  -0.962
  145    HA   CYS  22           HA       CYS  22   1.681  -0.945  -2.585
  146    HB2  CYS  22           HB2      CYS  22   0.794  -2.270  -0.722
  147    HB3  CYS  22           HB3      CYS  22   1.679  -1.279   0.432
  148    H    LEU  23           H        LEU  23   2.137   1.022  -3.275
  149    HA   LEU  23           HA       LEU  23   4.019   2.697  -1.921
  150    HB2  LEU  23           HB2      LEU  23   2.542   2.787  -4.492
  151    HB3  LEU  23           HB3      LEU  23   3.189   4.291  -3.877
  152    HG   LEU  23           HG       LEU  23   4.794   1.788  -4.465
  153   HD11  LEU  23          HD11      LEU  23   5.785   3.369  -6.221
  154   HD12  LEU  23          HD12      LEU  23   4.326   4.331  -5.979
  155   HD13  LEU  23          HD13      LEU  23   4.202   2.663  -6.534
  156   HD21  LEU  23          HD21      LEU  23   5.519   4.421  -3.246
  157   HD22  LEU  23          HD22      LEU  23   6.682   3.622  -4.301
  158   HD23  LEU  23          HD23      LEU  23   6.099   2.803  -2.854
  159    H    ARG  24           H        ARG  24   2.269   2.413  -0.098
  160    HA   ARG  24           HA       ARG  24   0.385   4.645  -0.036
  161    HB2  ARG  24           HB2      ARG  24   0.071   2.157   0.858
  162    HB3  ARG  24           HB3      ARG  24   0.847   2.807   2.289
  163    HG2  ARG  24           HG2      ARG  24  -1.571   4.142   1.112
  164    HG3  ARG  24           HG3      ARG  24  -1.729   2.744   2.168
  165    HD2  ARG  24           HD2      ARG  24  -1.921   4.489   3.664
  166    HD3  ARG  24           HD3      ARG  24  -0.205   4.110   3.778
  167    HE   ARG  24           HE       ARG  24  -0.353   6.038   1.849
  168   HH11  ARG  24          HH11      ARG  24  -1.370   5.862   5.206
  169   HH12  ARG  24          HH12      ARG  24  -1.178   7.563   5.474
  170   HH21  ARG  24          HH21      ARG  24  -0.120   8.266   2.220
  171   HH22  ARG  24          HH22      ARG  24  -0.472   8.920   3.785
  172    H    TYR  25           H        TYR  25   2.680   5.764  -0.306
  173    HA   TYR  25           HA       TYR  25   4.263   6.144   2.035
  174    HB2  TYR  25           HB2      TYR  25   4.722   6.517  -0.590
  175    HB3  TYR  25           HB3      TYR  25   4.355   8.173  -0.123
  176    HD1  TYR  25           HD1      TYR  25   5.874   9.441   1.249
  177    HD2  TYR  25           HD2      TYR  25   6.673   5.357   0.362
  178    HE1  TYR  25           HE1      TYR  25   8.171   9.716   2.081
  179    HE2  TYR  25           HE2      TYR  25   8.973   5.622   1.192
  180    HH   TYR  25           HH       TYR  25  10.609   7.420   1.540
  181    H    ALA  26           H        ALA  26   4.602   8.199   3.141
  182    HA   ALA  26           HA       ALA  26   2.183   9.375   4.049
  183    HB1  ALA  26           HB1      ALA  26   3.586  10.745   5.465
  184    HB2  ALA  26           HB2      ALA  26   5.011  10.274   4.538
  185    HB3  ALA  26           HB3      ALA  26   4.135   9.070   5.484
  186    H    GLY  27           H        GLY  27   4.372  10.210   1.533
  187    HA2  GLY  27           HA2      GLY  27   3.322  12.942   1.314
  188    HA3  GLY  27           HA3      GLY  27   4.715  12.303   0.455
  189    H    GLN  28           H        GLN  28   2.871   9.835  -0.023
  190    HA   GLN  28           HA       GLN  28   1.716  10.867  -2.509
  191    HB2  GLN  28           HB2      GLN  28   2.432   8.088  -1.580
  192    HB3  GLN  28           HB3      GLN  28   1.477   8.376  -3.028
  193    HG2  GLN  28           HG2      GLN  28   3.305   9.649  -4.005
  194    HG3  GLN  28           HG3      GLN  28   4.263   9.417  -2.543
  195   HE21  GLN  28          HE21      GLN  28   5.145   7.401  -2.110
  196   HE22  GLN  28          HE22      GLN  28   5.269   6.171  -3.316
  197    H    LYS  29           H        LYS  29  -0.388  10.309  -3.166
  198    HA   LYS  29           HA       LYS  29  -2.204   9.500  -0.997
  199    HB2  LYS  29           HB2      LYS  29  -3.910  11.052  -2.010
  200    HB3  LYS  29           HB3      LYS  29  -2.541  11.846  -1.257
  201    HG2  LYS  29           HG2      LYS  29  -1.555  12.244  -3.467
  202    HG3  LYS  29           HG3      LYS  29  -2.934  11.440  -4.221
  203    HD2  LYS  29           HD2      LYS  29  -4.432  13.134  -3.272
  204    HD3  LYS  29           HD3      LYS  29  -3.050  13.937  -2.527
  205    HE2  LYS  29           HE2      LYS  29  -3.272  13.478  -5.493
  206    HE3  LYS  29           HE3      LYS  29  -3.891  14.926  -4.703
  207    HZ1  LYS  29           HZ1      LYS  29  -1.674  15.284  -5.586
  208    HZ2  LYS  29           HZ2      LYS  29  -1.066  14.006  -4.659
  209    HZ3  LYS  29           HZ3      LYS  29  -1.658  15.396  -3.897
  210    H    SER  30           H        SER  30  -0.903   8.328  -3.653
  211    HA   SER  30           HA       SER  30  -3.003   6.499  -4.217
  212    HB2  SER  30           HB2      SER  30  -3.787   8.469  -5.577
  213    HB3  SER  30           HB3      SER  30  -2.289   8.367  -6.503
  214    HG   SER  30           HG       SER  30  -3.385   7.019  -7.686
  215    H    GLY  31           H        GLY  31  -1.253   5.187  -3.533
  216    HA2  GLY  31           HA2      GLY  31   1.116   5.037  -5.215
  217    HA3  GLY  31           HA3      GLY  31   0.815   4.117  -3.750
  218    H    THR  32           H        THR  32   1.621   2.242  -4.957
  219    HA   THR  32           HA       THR  32  -0.525   0.795  -6.162
  220    HB   THR  32           HB       THR  32   0.115   2.046  -8.152
  221    HG1  THR  32           HG1      THR  32   0.839  -0.698  -8.117
  222   HG21  THR  32          HG21      THR  32   2.413   1.563  -9.175
  223   HG22  THR  32          HG22      THR  32   2.894   1.039  -7.561
  224   HG23  THR  32          HG23      THR  32   2.361   2.699  -7.828
  225    H    CYS  33           H        CYS  33  -0.124  -1.342  -6.527
  226    HA   CYS  33           HA       CYS  33   2.182  -2.509  -5.149
  227    HB2  CYS  33           HB2      CYS  33  -0.225  -3.239  -4.613
  228    HB3  CYS  33           HB3      CYS  33  -0.233  -4.010  -6.192
  229    H    ALA  34           H        ALA  34   3.765  -3.516  -6.307
  230    HA   ALA  34           HA       ALA  34   3.313  -4.155  -9.102
  231    HB1  ALA  34           HB1      ALA  34   4.064  -1.809  -8.976
  232    HB2  ALA  34           HB2      ALA  34   5.151  -2.855  -9.890
  233    HB3  ALA  34           HB3      ALA  34   5.564  -2.377  -8.243
  234    H    ASN  35           H        ASN  35   6.305  -3.811  -7.249
  235    HA   ASN  35           HA       ASN  35   6.651  -6.600  -6.740
  236    HB2  ASN  35           HB2      ASN  35   7.965  -5.409  -9.143
  237    HB3  ASN  35           HB3      ASN  35   8.930  -6.498  -8.155
  238   HD21  ASN  35          HD21      ASN  35   6.459  -6.219 -10.483
  239   HD22  ASN  35          HD22      ASN  35   6.110  -7.902 -10.652
  240    H    ARG  36           H        ARG  36   7.702  -6.719  -4.902
  241    HA   ARG  36           HA       ARG  36   9.473  -4.529  -4.099
  242    HB2  ARG  36           HB2      ARG  36   7.447  -5.464  -2.709
  243    HB3  ARG  36           HB3      ARG  36   8.590  -6.718  -2.252
  244    HG2  ARG  36           HG2      ARG  36  10.091  -5.057  -1.332
  245    HG3  ARG  36           HG3      ARG  36   9.013  -3.764  -1.856
  246    HD2  ARG  36           HD2      ARG  36   7.254  -4.649  -0.395
  247    HD3  ARG  36           HD3      ARG  36   8.344  -5.930   0.133
  248    HE   ARG  36           HE       ARG  36   9.631  -3.520   0.619
  249   HH11  ARG  36          HH11      ARG  36   6.734  -5.149   1.758
  250   HH12  ARG  36          HH12      ARG  36   6.781  -4.389   3.314
  251   HH21  ARG  36          HH21      ARG  36   8.442  -2.913   3.824
  252   HH22  ARG  36          HH22      ARG  36   9.671  -2.538   2.662
  Start of MODEL    4
    1    H    PCA   1           H3       PCA   1   1.740 -13.765  -2.867
    2    HA   PCA   1           HA       PCA   1   0.564 -15.522  -4.963
    3    HB2  PCA   1           HB2      PCA   1  -0.056 -16.161  -2.236
    4    HB3  PCA   1           HB3      PCA   1   0.822 -17.137  -3.434
    5    HG2  PCA   1           HG2      PCA   1   1.867 -15.619  -1.243
    6    HG3  PCA   1           HG3      PCA   1   2.714 -16.703  -2.362
    7    H    CYS   2           H        CYS   2   0.142 -12.786  -2.963
    8    HA   CYS   2           HA       CYS   2  -2.769 -12.882  -3.388
    9    HB2  CYS   2           HB2      CYS   2  -3.153 -11.845  -1.231
   10    HB3  CYS   2           HB3      CYS   2  -2.231 -13.326  -1.017
   11    H    LYS   3           H        LYS   3   0.051 -11.258  -4.073
   12    HA   LYS   3           HA       LYS   3  -0.840  -8.552  -3.977
   13    HB2  LYS   3           HB2      LYS   3   1.174  -8.028  -5.311
   14    HB3  LYS   3           HB3      LYS   3   1.558  -9.023  -3.916
   15    HG2  LYS   3           HG2      LYS   3   1.029 -10.436  -6.454
   16    HG3  LYS   3           HG3      LYS   3   2.518  -9.497  -6.347
   17    HD2  LYS   3           HD2      LYS   3   3.157 -10.724  -4.332
   18    HD3  LYS   3           HD3      LYS   3   1.654 -11.643  -4.403
   19    HE2  LYS   3           HE2      LYS   3   3.298 -13.052  -5.331
   20    HE3  LYS   3           HE3      LYS   3   2.393 -12.412  -6.703
   21    HZ1  LYS   3           HZ1      LYS   3   4.154 -10.787  -7.052
   22    HZ2  LYS   3           HZ2      LYS   3   4.767 -12.361  -7.119
   23    HZ3  LYS   3           HZ3      LYS   3   5.023 -11.413  -5.742
   24    HA   PRO   4           HA       PRO   4  -2.940  -8.648  -7.958
   25    HB2  PRO   4           HB2      PRO   4  -3.550  -5.906  -7.962
   26    HB3  PRO   4           HB3      PRO   4  -4.519  -7.185  -7.215
   27    HG2  PRO   4           HG2      PRO   4  -3.203  -5.118  -5.864
   28    HG3  PRO   4           HG3      PRO   4  -3.900  -6.575  -5.139
   29    HD2  PRO   4           HD2      PRO   4  -1.060  -6.000  -5.867
   30    HD3  PRO   4           HD3      PRO   4  -1.718  -6.915  -4.494
   31    H    ASN   5           H        ASN   5  -0.207  -6.639  -7.387
   32    HA   ASN   5           HA       ASN   5   1.201  -5.371  -8.626
   33    HB2  ASN   5           HB2      ASN   5   1.421  -6.841 -11.049
   34    HB3  ASN   5           HB3      ASN   5   2.531  -6.801  -9.690
   35   HD21  ASN   5          HD21      ASN   5   2.622  -8.501  -8.308
   36   HD22  ASN   5          HD22      ASN   5   1.776  -9.987  -8.559
   37    H    GLY   6           H        GLY   6   0.403  -3.491  -9.122
   38    HA2  GLY   6           HA2      GLY   6   0.069  -1.970 -10.990
   39    HA3  GLY   6           HA3      GLY   6  -0.970  -3.189 -11.715
   40    H    ALA   7           H        ALA   7  -1.323  -2.825  -8.327
   41    HA   ALA   7           HA       ALA   7  -3.918  -1.504  -8.729
   42    HB1  ALA   7           HB1      ALA   7  -4.547  -2.380  -6.574
   43    HB2  ALA   7           HB2      ALA   7  -2.901  -2.942  -6.284
   44    HB3  ALA   7           HB3      ALA   7  -3.875  -3.680  -7.556
   45    H    LYS   8           H        LYS   8  -4.533   0.326  -7.574
   46    HA   LYS   8           HA       LYS   8  -2.327   1.991  -6.690
   47    HB2  LYS   8           HB2      LYS   8  -4.947   2.408  -7.823
   48    HB3  LYS   8           HB3      LYS   8  -4.709   3.421  -6.407
   49    HG2  LYS   8           HG2      LYS   8  -2.897   4.533  -7.355
   50    HG3  LYS   8           HG3      LYS   8  -2.651   3.280  -8.576
   51    HD2  LYS   8           HD2      LYS   8  -4.722   3.903  -9.673
   52    HD3  LYS   8           HD3      LYS   8  -5.049   5.104  -8.422
   53    HE2  LYS   8           HE2      LYS   8  -4.177   6.315 -10.247
   54    HE3  LYS   8           HE3      LYS   8  -2.853   6.186  -9.091
   55    HZ1  LYS   8           HZ1      LYS   8  -1.951   4.354 -10.387
   56    HZ2  LYS   8           HZ2      LYS   8  -2.106   5.741 -11.342
   57    HZ3  LYS   8           HZ3      LYS   8  -3.222   4.480 -11.496
   58    H    CYS   9           H        CYS   9  -1.892   2.641  -4.725
   59    HA   CYS   9           HA       CYS   9  -3.535   1.694  -2.467
   60    HB2  CYS   9           HB2      CYS   9  -0.654   2.577  -2.705
   61    HB3  CYS   9           HB3      CYS   9  -1.438   2.339  -1.153
   62    H    THR  10           H        THR  10  -4.095   3.134  -0.788
   63    HA   THR  10           HA       THR  10  -3.585   5.980  -1.149
   64    HB   THR  10           HB       THR  10  -6.101   6.415  -0.715
   65    HG1  THR  10           HG1      THR  10  -6.061   3.712  -1.152
   66   HG21  THR  10          HG21      THR  10  -6.571   6.438  -3.126
   67   HG22  THR  10          HG22      THR  10  -5.161   5.415  -3.407
   68   HG23  THR  10          HG23      THR  10  -4.954   7.049  -2.774
   69    H    GLU  11           H        GLU  11  -4.508   7.266   0.694
   70    HA   GLU  11           HA       GLU  11  -3.483   6.480   3.123
   71    HB2  GLU  11           HB2      GLU  11  -4.049   8.797   2.416
   72    HB3  GLU  11           HB3      GLU  11  -5.743   8.434   2.703
   73    HG2  GLU  11           HG2      GLU  11  -5.385   8.197   5.032
   74    HG3  GLU  11           HG3      GLU  11  -3.635   8.243   4.830
   75    H    ILE  12           H        ILE  12  -6.585   5.706   1.832
   76    HA   ILE  12           HA       ILE  12  -7.348   4.433   4.369
   77    HB   ILE  12           HB       ILE  12  -9.684   4.678   2.812
   78   HG12  ILE  12          HG12      ILE  12  -9.786   7.276   2.847
   79   HG13  ILE  12          HG13      ILE  12  -8.029   7.200   2.813
   80   HG21  ILE  12          HG21      ILE  12 -10.433   6.058   4.698
   81   HG22  ILE  12          HG22      ILE  12  -8.766   6.157   5.266
   82   HG23  ILE  12          HG23      ILE  12  -9.590   4.599   5.218
   83   HD11  ILE  12          HD11      ILE  12  -9.890   6.050   0.743
   84   HD12  ILE  12          HD12      ILE  12  -8.129   5.960   0.709
   85   HD13  ILE  12          HD13      ILE  12  -8.933   7.525   0.590
   86    H    SER  13           H        SER  13  -6.322   3.666   1.260
   87    HA   SER  13           HA       SER  13  -7.554   1.023   1.507
   88    HB2  SER  13           HB2      SER  13  -7.457   2.595  -1.071
   89    HB3  SER  13           HB3      SER  13  -7.972   0.915  -0.927
   90    HG   SER  13           HG       SER  13  -9.650   2.638  -0.896
   91    H    ILE  14           H        ILE  14  -6.394  -0.693   0.942
   92    HA   ILE  14           HA       ILE  14  -3.901  -0.488  -0.503
   93    HB   ILE  14           HB       ILE  14  -2.543  -1.642   1.240
   94   HG12  ILE  14          HG12      ILE  14  -3.530  -1.012   3.680
   95   HG13  ILE  14          HG13      ILE  14  -5.032  -1.369   2.831
   96   HG21  ILE  14          HG21      ILE  14  -2.257   0.721   0.884
   97   HG22  ILE  14          HG22      ILE  14  -2.049   0.328   2.592
   98   HG23  ILE  14          HG23      ILE  14  -3.548   1.074   2.033
   99   HD11  ILE  14          HD11      ILE  14  -4.170  -3.331   3.976
  100   HD12  ILE  14          HD12      ILE  14  -2.661  -3.208   3.070
  101   HD13  ILE  14          HD13      ILE  14  -4.169  -3.568   2.228
  102    HA   PRO  15           HA       PRO  15  -5.342  -4.642  -1.488
  103    HB2  PRO  15           HB2      PRO  15  -3.317  -5.471  -3.066
  104    HB3  PRO  15           HB3      PRO  15  -4.425  -4.191  -3.588
  105    HG2  PRO  15           HG2      PRO  15  -1.674  -3.972  -2.474
  106    HG3  PRO  15           HG3      PRO  15  -2.415  -3.112  -3.842
  107    HD2  PRO  15           HD2      PRO  15  -2.172  -2.036  -1.334
  108    HD3  PRO  15           HD3      PRO  15  -3.432  -1.566  -2.492
  109    HA   PRO  16           HA       PRO  16  -3.199  -7.500   1.239
  110    HB2  PRO  16           HB2      PRO  16  -2.668  -9.689  -0.599
  111    HB3  PRO  16           HB3      PRO  16  -3.932  -9.568   0.635
  112    HG2  PRO  16           HG2      PRO  16  -4.464  -9.577  -2.017
  113    HG3  PRO  16           HG3      PRO  16  -5.475  -8.739  -0.825
  114    HD2  PRO  16           HD2      PRO  16  -3.385  -7.620  -2.643
  115    HD3  PRO  16           HD3      PRO  16  -4.996  -6.978  -2.251
  116    H    CYS  17           H        CYS  17  -1.475  -7.895  -1.870
  117    HA   CYS  17           HA       CYS  17   0.697  -8.241  -2.406
  118    HB2  CYS  17           HB2      CYS  17   1.381  -6.117  -0.396
  119    HB3  CYS  17           HB3      CYS  17   2.160  -6.458  -1.937
  120    H    CYS  18           H        CYS  18   1.372 -10.215  -1.855
  121    HA   CYS  18           HA       CYS  18   2.206 -10.797   0.869
  122    HB2  CYS  18           HB2      CYS  18   1.834 -12.481  -1.591
  123    HB3  CYS  18           HB3      CYS  18   2.655 -13.111  -0.169
  124    H    SER  19           H        SER  19   3.595 -10.240  -2.264
  125    HA   SER  19           HA       SER  19   6.278 -10.347  -1.068
  126    HB2  SER  19           HB2      SER  19   5.570 -11.376  -3.827
  127    HB3  SER  19           HB3      SER  19   7.193 -11.304  -3.141
  128    HG   SER  19           HG       SER  19   5.646 -13.317  -2.981
  129    H    ASN  20           H        ASN  20   3.991  -8.715  -2.959
  130    HA   ASN  20           HA       ASN  20   5.886  -6.956  -4.273
  131    HB2  ASN  20           HB2      ASN  20   2.888  -7.193  -4.280
  132    HB3  ASN  20           HB3      ASN  20   3.697  -5.826  -5.025
  133   HD21  ASN  20          HD21      ASN  20   5.028  -9.077  -5.028
  134   HD22  ASN  20          HD22      ASN  20   4.832  -9.356  -6.721
  135    H    PHE  21           H        PHE  21   4.875  -4.493  -4.172
  136    HA   PHE  21           HA       PHE  21   4.886  -3.791  -1.310
  137    HB2  PHE  21           HB2      PHE  21   6.078  -1.708  -1.969
  138    HB3  PHE  21           HB3      PHE  21   7.003  -3.165  -2.283
  139    HD1  PHE  21           HD1      PHE  21   4.837  -0.628  -3.961
  140    HD2  PHE  21           HD2      PHE  21   7.900  -3.550  -4.383
  141    HE1  PHE  21           HE1      PHE  21   5.260   0.148  -6.258
  142    HE2  PHE  21           HE2      PHE  21   8.324  -2.786  -6.681
  143    HZ   PHE  21           HZ       PHE  21   7.005  -0.932  -7.622
  144    H    CYS  22           H        CYS  22   3.753  -1.941  -0.661
  145    HA   CYS  22           HA       CYS  22   1.730  -0.968  -2.569
  146    HB2  CYS  22           HB2      CYS  22   0.572  -2.281  -0.917
  147    HB3  CYS  22           HB3      CYS  22   1.470  -1.530   0.396
  148    H    LEU  23           H        LEU  23   2.306   0.994  -3.161
  149    HA   LEU  23           HA       LEU  23   4.060   2.606  -1.576
  150    HB2  LEU  23           HB2      LEU  23   2.800   2.900  -4.269
  151    HB3  LEU  23           HB3      LEU  23   3.614   4.261  -3.529
  152    HG   LEU  23           HG       LEU  23   4.856   1.591  -4.224
  153   HD11  LEU  23          HD11      LEU  23   4.389   2.976  -6.159
  154   HD12  LEU  23          HD12      LEU  23   6.124   2.895  -5.862
  155   HD13  LEU  23          HD13      LEU  23   5.217   4.340  -5.410
  156   HD21  LEU  23          HD21      LEU  23   7.002   3.008  -3.736
  157   HD22  LEU  23          HD22      LEU  23   6.141   2.243  -2.403
  158   HD23  LEU  23          HD23      LEU  23   5.918   3.963  -2.723
  159    H    ARG  24           H        ARG  24   2.166   2.341   0.057
  160    HA   ARG  24           HA       ARG  24   0.328   4.617  -0.022
  161    HB2  ARG  24           HB2      ARG  24  -0.131   2.113   0.786
  162    HB3  ARG  24           HB3      ARG  24   0.499   2.730   2.301
  163    HG2  ARG  24           HG2      ARG  24  -1.760   4.109   0.878
  164    HG3  ARG  24           HG3      ARG  24  -2.044   2.726   1.928
  165    HD2  ARG  24           HD2      ARG  24  -2.354   4.489   3.379
  166    HD3  ARG  24           HD3      ARG  24  -0.664   4.088   3.667
  167    HE   ARG  24           HE       ARG  24  -0.570   5.993   1.722
  168   HH11  ARG  24          HH11      ARG  24  -2.002   5.885   4.927
  169   HH12  ARG  24          HH12      ARG  24  -1.832   7.589   5.186
  170   HH21  ARG  24          HH21      ARG  24  -0.370   8.226   2.080
  171   HH22  ARG  24          HH22      ARG  24  -0.910   8.911   3.576
  172    H    TYR  25           H        TYR  25   2.749   5.583  -0.038
  173    HA   TYR  25           HA       TYR  25   4.129   5.866   2.409
  174    HB2  TYR  25           HB2      TYR  25   4.780   6.358  -0.136
  175    HB3  TYR  25           HB3      TYR  25   4.358   7.996   0.350
  176    HD1  TYR  25           HD1      TYR  25   6.690   5.209   0.872
  177    HD2  TYR  25           HD2      TYR  25   5.735   9.220   1.921
  178    HE1  TYR  25           HE1      TYR  25   8.920   5.473   1.877
  179    HE2  TYR  25           HE2      TYR  25   7.960   9.494   2.928
  180    HH   TYR  25           HH       TYR  25  10.484   7.281   2.439
  181    H    ALA  26           H        ALA  26   4.466   7.899   3.607
  182    HA   ALA  26           HA       ALA  26   2.023   9.036   4.499
  183    HB1  ALA  26           HB1      ALA  26   3.387  10.366   5.989
  184    HB2  ALA  26           HB2      ALA  26   4.834   9.939   5.074
  185    HB3  ALA  26           HB3      ALA  26   3.952   8.695   5.960
  186    H    GLY  27           H        GLY  27   4.157   9.914   1.975
  187    HA2  GLY  27           HA2      GLY  27   3.026  12.634   1.821
  188    HA3  GLY  27           HA3      GLY  27   4.539  12.132   1.083
  189    H    GLN  28           H        GLN  28   2.708   9.578   0.469
  190    HA   GLN  28           HA       GLN  28   1.917  10.561  -2.173
  191    HB2  GLN  28           HB2      GLN  28   2.366   7.787  -1.078
  192    HB3  GLN  28           HB3      GLN  28   1.635   8.073  -2.651
  193    HG2  GLN  28           HG2      GLN  28   3.656   9.260  -3.366
  194    HG3  GLN  28           HG3      GLN  28   4.391   8.941  -1.797
  195   HE21  GLN  28          HE21      GLN  28   3.380   7.573  -4.824
  196   HE22  GLN  28          HE22      GLN  28   4.217   6.070  -4.659
  197    H    LYS  29           H        LYS  29  -0.109  10.112  -3.066
  198    HA   LYS  29           HA       LYS  29  -2.235   9.458  -1.133
  199    HB2  LYS  29           HB2      LYS  29  -2.174  11.575  -3.282
  200    HB3  LYS  29           HB3      LYS  29  -3.680  11.000  -2.582
  201    HG2  LYS  29           HG2      LYS  29  -2.939  11.727  -0.372
  202    HG3  LYS  29           HG3      LYS  29  -1.417  12.290  -1.067
  203    HD2  LYS  29           HD2      LYS  29  -2.647  13.878  -2.469
  204    HD3  LYS  29           HD3      LYS  29  -4.167  13.317  -1.768
  205    HE2  LYS  29           HE2      LYS  29  -3.421  14.056   0.440
  206    HE3  LYS  29           HE3      LYS  29  -1.898  14.609  -0.256
  207    HZ1  LYS  29           HZ1      LYS  29  -3.134  16.190  -1.603
  208    HZ2  LYS  29           HZ2      LYS  29  -3.449  16.434   0.040
  209    HZ3  LYS  29           HZ3      LYS  29  -4.593  15.659  -0.934
  210    H    SER  30           H        SER  30  -0.627   8.253  -3.664
  211    HA   SER  30           HA       SER  30  -2.661   6.408  -4.422
  212    HB2  SER  30           HB2      SER  30  -1.751   8.419  -6.509
  213    HB3  SER  30           HB3      SER  30  -2.601   6.921  -6.883
  214    HG   SER  30           HG       SER  30  -4.348   8.019  -6.536
  215    H    GLY  31           H        GLY  31  -1.206   4.871  -3.775
  216    HA2  GLY  31           HA2      GLY  31   1.439   4.771  -5.011
  217    HA3  GLY  31           HA3      GLY  31   0.857   3.744  -3.712
  218    H    THR  32           H        THR  32   1.928   2.039  -5.121
  219    HA   THR  32           HA       THR  32  -0.126   0.810  -6.727
  220    HB   THR  32           HB       THR  32   0.803   2.112  -8.501
  221    HG1  THR  32           HG1      THR  32   1.594  -0.601  -8.493
  222   HG21  THR  32          HG21      THR  32   3.481   1.260  -7.437
  223   HG22  THR  32          HG22      THR  32   2.903   2.880  -7.832
  224   HG23  THR  32          HG23      THR  32   3.293   1.744  -9.122
  225    H    CYS  33           H        CYS  33  -0.209  -1.133  -5.820
  226    HA   CYS  33           HA       CYS  33   2.038  -2.473  -4.723
  227    HB2  CYS  33           HB2      CYS  33  -0.279  -2.989  -3.987
  228    HB3  CYS  33           HB3      CYS  33  -0.592  -3.743  -5.547
  229    H    ALA  34           H        ALA  34   3.635  -3.136  -5.808
  230    HA   ALA  34           HA       ALA  34   3.374  -4.603  -8.314
  231    HB1  ALA  34           HB1      ALA  34   5.198  -3.228  -9.299
  232    HB2  ALA  34           HB2      ALA  34   5.073  -2.144  -7.913
  233    HB3  ALA  34           HB3      ALA  34   3.712  -2.320  -9.018
  234    H    ASN  35           H        ASN  35   5.472  -5.651  -8.898
  235    HA   ASN  35           HA       ASN  35   6.752  -6.633  -6.460
  236    HB2  ASN  35           HB2      ASN  35   7.718  -8.395  -8.092
  237    HB3  ASN  35           HB3      ASN  35   6.016  -8.487  -7.672
  238   HD21  ASN  35          HD21      ASN  35   4.582  -8.583  -9.270
  239   HD22  ASN  35          HD22      ASN  35   4.916  -8.282 -10.938
  240    H    ARG  36           H        ARG  36   8.840  -6.431  -5.989
  241    HA   ARG  36           HA       ARG  36  10.428  -4.645  -7.686
  242    HB2  ARG  36           HB2      ARG  36   9.955  -4.650  -4.969
  243    HB3  ARG  36           HB3      ARG  36  11.553  -5.373  -5.084
  244    HG2  ARG  36           HG2      ARG  36  12.382  -3.449  -6.283
  245    HG3  ARG  36           HG3      ARG  36  10.767  -2.736  -6.306
  246    HD2  ARG  36           HD2      ARG  36  10.800  -2.708  -3.827
  247    HD3  ARG  36           HD3      ARG  36  12.462  -3.296  -3.875
  248    HE   ARG  36           HE       ARG  36  12.470  -1.041  -5.426
  249   HH11  ARG  36          HH11      ARG  36  11.606  -1.715  -2.089
  250   HH12  ARG  36          HH12      ARG  36  12.027  -0.126  -1.540
  251   HH21  ARG  36          HH21      ARG  36  12.823   1.425  -3.009
  252   HH22  ARG  36          HH22      ARG  36  13.012   1.031  -4.685
  Start of MODEL    5
    1    H    PCA   1           H3       PCA   1   1.164 -13.406  -5.392
    2    HA   PCA   1           HA       PCA   1   0.056 -15.576  -5.356
    3    HB2  PCA   1           HB2      PCA   1   0.137 -15.988  -2.533
    4    HB3  PCA   1           HB3      PCA   1   0.793 -17.028  -3.817
    5    HG2  PCA   1           HG2      PCA   1   2.186 -15.248  -2.047
    6    HG3  PCA   1           HG3      PCA   1   2.837 -16.428  -3.199
    7    H    CYS   2           H        CYS   2   0.121 -12.727  -3.446
    8    HA   CYS   2           HA       CYS   2  -2.814 -12.771  -3.212
    9    HB2  CYS   2           HB2      CYS   2  -1.168 -11.380  -1.131
   10    HB3  CYS   2           HB3      CYS   2  -2.804 -12.015  -1.015
   11    H    LYS   3           H        LYS   3   0.000 -11.128  -4.172
   12    HA   LYS   3           HA       LYS   3  -1.062  -8.463  -4.116
   13    HB2  LYS   3           HB2      LYS   3   1.078  -8.308  -5.830
   14    HB3  LYS   3           HB3      LYS   3   1.151  -8.060  -4.102
   15    HG2  LYS   3           HG2      LYS   3   2.912  -9.525  -4.628
   16    HG3  LYS   3           HG3      LYS   3   1.666 -10.530  -3.890
   17    HD2  LYS   3           HD2      LYS   3   1.015 -11.424  -5.983
   18    HD3  LYS   3           HD3      LYS   3   1.924 -10.200  -6.871
   19    HE2  LYS   3           HE2      LYS   3   4.012 -11.150  -6.126
   20    HE3  LYS   3           HE3      LYS   3   3.159 -12.305  -5.101
   21    HZ1  LYS   3           HZ1      LYS   3   3.019 -12.188  -8.066
   22    HZ2  LYS   3           HZ2      LYS   3   2.203 -13.299  -7.086
   23    HZ3  LYS   3           HZ3      LYS   3   3.892 -13.323  -7.163
   24    HA   PRO   4           HA       PRO   4  -2.832  -8.672  -8.227
   25    HB2  PRO   4           HB2      PRO   4  -3.423  -5.904  -8.289
   26    HB3  PRO   4           HB3      PRO   4  -4.467  -7.189  -7.662
   27    HG2  PRO   4           HG2      PRO   4  -3.345  -5.160  -6.139
   28    HG3  PRO   4           HG3      PRO   4  -3.997  -6.682  -5.510
   29    HD2  PRO   4           HD2      PRO   4  -1.150  -5.950  -6.104
   30    HD3  PRO   4           HD3      PRO   4  -1.822  -6.854  -4.728
   31    H    ASN   5           H        ASN   5  -0.122  -6.693  -7.506
   32    HA   ASN   5           HA       ASN   5   1.361  -5.428  -8.665
   33    HB2  ASN   5           HB2      ASN   5   1.824  -6.880 -11.025
   34    HB3  ASN   5           HB3      ASN   5   2.729  -6.964  -9.524
   35   HD21  ASN   5          HD21      ASN   5   2.389  -8.676  -8.125
   36   HD22  ASN   5          HD22      ASN   5   1.565 -10.114  -8.611
   37    H    GLY   6           H        GLY   6   0.414  -3.586  -9.152
   38    HA2  GLY   6           HA2      GLY   6   0.261  -2.091 -11.115
   39    HA3  GLY   6           HA3      GLY   6  -0.779  -3.310 -11.841
   40    H    ALA   7           H        ALA   7  -1.231  -2.900  -8.481
   41    HA   ALA   7           HA       ALA   7  -3.800  -1.570  -8.955
   42    HB1  ALA   7           HB1      ALA   7  -2.759  -3.019  -6.522
   43    HB2  ALA   7           HB2      ALA   7  -3.859  -3.672  -7.739
   44    HB3  ALA   7           HB3      ALA   7  -4.380  -2.348  -6.699
   45    H    LYS   8           H        LYS   8  -4.481  -0.167  -6.884
   46    HA   LYS   8           HA       LYS   8  -2.302   1.758  -6.443
   47    HB2  LYS   8           HB2      LYS   8  -5.090   2.058  -7.233
   48    HB3  LYS   8           HB3      LYS   8  -4.641   3.105  -5.894
   49    HG2  LYS   8           HG2      LYS   8  -3.201   4.337  -7.154
   50    HG3  LYS   8           HG3      LYS   8  -2.820   2.990  -8.232
   51    HD2  LYS   8           HD2      LYS   8  -4.950   3.196  -9.329
   52    HD3  LYS   8           HD3      LYS   8  -5.465   4.432  -8.180
   53    HE2  LYS   8           HE2      LYS   8  -3.686   5.913  -8.987
   54    HE3  LYS   8           HE3      LYS   8  -3.177   4.675 -10.134
   55    HZ1  LYS   8           HZ1      LYS   8  -5.339   4.833 -11.205
   56    HZ2  LYS   8           HZ2      LYS   8  -4.567   6.338 -11.192
   57    HZ3  LYS   8           HZ3      LYS   8  -5.824   6.024 -10.104
   58    H    CYS   9           H        CYS   9  -2.013   2.729  -4.505
   59    HA   CYS   9           HA       CYS   9  -3.365   1.555  -2.145
   60    HB2  CYS   9           HB2      CYS   9  -0.491   2.408  -2.569
   61    HB3  CYS   9           HB3      CYS   9  -1.173   2.153  -0.970
   62    H    THR  10           H        THR  10  -3.900   2.975  -0.475
   63    HA   THR  10           HA       THR  10  -3.302   5.809  -0.750
   64    HB   THR  10           HB       THR  10  -5.818   6.305  -0.326
   65    HG1  THR  10           HG1      THR  10  -5.839   3.639  -1.212
   66   HG21  THR  10          HG21      THR  10  -4.603   7.014  -2.322
   67   HG22  THR  10          HG22      THR  10  -6.227   6.473  -2.743
   68   HG23  THR  10          HG23      THR  10  -4.842   5.424  -3.047
   69    H    GLU  11           H        GLU  11  -4.141   7.077   1.113
   70    HA   GLU  11           HA       GLU  11  -3.213   6.164   3.534
   71    HB2  GLU  11           HB2      GLU  11  -3.608   8.529   2.895
   72    HB3  GLU  11           HB3      GLU  11  -5.331   8.272   3.115
   73    HG2  GLU  11           HG2      GLU  11  -5.073   7.951   5.447
   74    HG3  GLU  11           HG3      GLU  11  -3.318   7.880   5.306
   75    H    ILE  12           H        ILE  12  -6.326   5.592   2.174
   76    HA   ILE  12           HA       ILE  12  -7.213   4.332   4.679
   77    HB   ILE  12           HB       ILE  12  -9.497   4.720   3.074
   78   HG12  ILE  12          HG12      ILE  12  -9.466   7.317   3.139
   79   HG13  ILE  12          HG13      ILE  12  -7.715   7.152   3.147
   80   HG21  ILE  12          HG21      ILE  12  -8.560   6.125   5.566
   81   HG22  ILE  12          HG22      ILE  12  -9.457   4.608   5.483
   82   HG23  ILE  12          HG23      ILE  12 -10.216   6.112   4.961
   83   HD11  ILE  12          HD11      ILE  12  -8.555   7.550   0.906
   84   HD12  ILE  12          HD12      ILE  12  -9.577   6.118   1.019
   85   HD13  ILE  12          HD13      ILE  12  -7.821   5.951   1.024
   86    H    SER  13           H        SER  13  -6.199   3.581   1.550
   87    HA   SER  13           HA       SER  13  -7.532   0.984   1.748
   88    HB2  SER  13           HB2      SER  13  -7.369   2.607  -0.796
   89    HB3  SER  13           HB3      SER  13  -7.950   0.945  -0.689
   90    HG   SER  13           HG       SER  13  -9.089   3.028   0.844
   91    H    ILE  14           H        ILE  14  -6.411  -0.764   1.153
   92    HA   ILE  14           HA       ILE  14  -3.909  -0.549  -0.276
   93    HB   ILE  14           HB       ILE  14  -2.593  -1.819   1.422
   94   HG12  ILE  14          HG12      ILE  14  -3.555  -1.238   3.878
   95   HG13  ILE  14          HG13      ILE  14  -5.072  -1.498   3.023
   96   HG21  ILE  14          HG21      ILE  14  -2.040   0.099   2.829
   97   HG22  ILE  14          HG22      ILE  14  -3.509   0.908   2.281
   98   HG23  ILE  14          HG23      ILE  14  -2.223   0.539   1.130
   99   HD11  ILE  14          HD11      ILE  14  -2.784  -3.446   3.195
  100   HD12  ILE  14          HD12      ILE  14  -4.299  -3.711   2.333
  101   HD13  ILE  14          HD13      ILE  14  -4.302  -3.538   4.089
  102    HA   PRO  15           HA       PRO  15  -5.370  -4.592  -1.592
  103    HB2  PRO  15           HB2      PRO  15  -3.211  -5.342  -3.064
  104    HB3  PRO  15           HB3      PRO  15  -4.329  -4.079  -3.611
  105    HG2  PRO  15           HG2      PRO  15  -1.658  -3.804  -2.323
  106    HG3  PRO  15           HG3      PRO  15  -2.353  -2.915  -3.695
  107    HD2  PRO  15           HD2      PRO  15  -2.274  -1.916  -1.176
  108    HD3  PRO  15           HD3      PRO  15  -3.529  -1.491  -2.357
  109    HA   PRO  16           HA       PRO  16  -3.417  -7.623   1.094
  110    HB2  PRO  16           HB2      PRO  16  -3.004  -9.761  -0.837
  111    HB3  PRO  16           HB3      PRO  16  -4.264  -9.623   0.401
  112    HG2  PRO  16           HG2      PRO  16  -4.794  -9.493  -2.245
  113    HG3  PRO  16           HG3      PRO  16  -5.750  -8.634  -1.021
  114    HD2  PRO  16           HD2      PRO  16  -3.572  -7.584  -2.787
  115    HD3  PRO  16           HD3      PRO  16  -5.148  -6.860  -2.394
  116    H    CYS  17           H        CYS  17  -1.725  -8.229  -2.001
  117    HA   CYS  17           HA       CYS  17   0.424  -8.661  -2.527
  118    HB2  CYS  17           HB2      CYS  17   1.220  -6.415  -0.703
  119    HB3  CYS  17           HB3      CYS  17   1.903  -6.860  -2.262
  120    H    CYS  18           H        CYS  18   1.198 -10.518  -1.937
  121    HA   CYS  18           HA       CYS  18   2.127 -10.922   0.810
  122    HB2  CYS  18           HB2      CYS  18   1.347 -12.758  -1.417
  123    HB3  CYS  18           HB3      CYS  18   2.440 -13.345  -0.168
  124    H    SER  19           H        SER  19   3.330 -10.220  -2.306
  125    HA   SER  19           HA       SER  19   6.067 -10.679  -1.355
  126    HB2  SER  19           HB2      SER  19   5.111 -11.438  -4.120
  127    HB3  SER  19           HB3      SER  19   6.774 -11.534  -3.546
  128    HG   SER  19           HG       SER  19   5.703 -13.551  -3.403
  129    H    ASN  20           H        ASN  20   3.845  -8.845  -3.248
  130    HA   ASN  20           HA       ASN  20   5.864  -7.108  -4.385
  131    HB2  ASN  20           HB2      ASN  20   2.856  -7.155  -4.508
  132    HB3  ASN  20           HB3      ASN  20   3.784  -5.830  -5.181
  133   HD21  ASN  20          HD21      ASN  20   4.797  -9.206  -5.235
  134   HD22  ASN  20          HD22      ASN  20   4.675  -9.401  -6.947
  135    H    PHE  21           H        PHE  21   4.830  -4.586  -4.205
  136    HA   PHE  21           HA       PHE  21   4.893  -4.023  -1.314
  137    HB2  PHE  21           HB2      PHE  21   6.121  -1.949  -1.835
  138    HB3  PHE  21           HB3      PHE  21   7.003  -3.377  -2.340
  139    HD1  PHE  21           HD1      PHE  21   4.743  -0.712  -3.704
  140    HD2  PHE  21           HD2      PHE  21   7.912  -3.456  -4.452
  141    HE1  PHE  21           HE1      PHE  21   5.100   0.298  -5.918
  142    HE2  PHE  21           HE2      PHE  21   8.264  -2.455  -6.668
  143    HZ   PHE  21           HZ       PHE  21   6.860  -0.572  -7.403
  144    H    CYS  22           H        CYS  22   3.811  -2.148  -0.573
  145    HA   CYS  22           HA       CYS  22   1.716  -1.144  -2.385
  146    HB2  CYS  22           HB2      CYS  22   0.687  -2.534  -0.670
  147    HB3  CYS  22           HB3      CYS  22   1.545  -1.666   0.597
  148    H    LEU  23           H        LEU  23   2.323   0.802  -2.984
  149    HA   LEU  23           HA       LEU  23   4.081   2.424  -1.412
  150    HB2  LEU  23           HB2      LEU  23   2.835   2.620  -4.104
  151    HB3  LEU  23           HB3      LEU  23   3.504   4.070  -3.391
  152    HG   LEU  23           HG       LEU  23   5.019   1.508  -3.939
  153   HD11  LEU  23          HD11      LEU  23   4.926   4.155  -5.362
  154   HD12  LEU  23          HD12      LEU  23   4.507   2.565  -5.997
  155   HD13  LEU  23          HD13      LEU  23   6.185   2.949  -5.621
  156   HD21  LEU  23          HD21      LEU  23   5.810   4.102  -2.650
  157   HD22  LEU  23          HD22      LEU  23   6.995   3.168  -3.561
  158   HD23  LEU  23          HD23      LEU  23   6.198   2.452  -2.162
  159    H    ARG  24           H        ARG  24   2.157   2.147   0.229
  160    HA   ARG  24           HA       ARG  24   0.199   4.288   0.099
  161    HB2  ARG  24           HB2      ARG  24  -0.029   1.880   1.145
  162    HB3  ARG  24           HB3      ARG  24   0.716   2.623   2.546
  163    HG2  ARG  24           HG2      ARG  24  -1.728   3.854   1.320
  164    HG3  ARG  24           HG3      ARG  24  -1.876   2.455   2.378
  165    HD2  ARG  24           HD2      ARG  24  -2.123   4.179   3.879
  166    HD3  ARG  24           HD3      ARG  24  -0.392   3.875   3.998
  167    HE   ARG  24           HE       ARG  24  -0.766   5.813   2.035
  168   HH11  ARG  24          HH11      ARG  24  -1.240   5.525   5.503
  169   HH12  ARG  24          HH12      ARG  24  -1.006   7.217   5.791
  170   HH21  ARG  24          HH21      ARG  24  -0.466   8.025   2.435
  171   HH22  ARG  24          HH22      ARG  24  -0.568   8.629   4.055
  172    H    TYR  25           H        TYR  25   2.245   5.671  -0.181
  173    HA   TYR  25           HA       TYR  25   3.674   6.369   2.224
  174    HB2  TYR  25           HB2      TYR  25   3.914   6.914  -0.642
  175    HB3  TYR  25           HB3      TYR  25   4.325   8.292   0.375
  176    HD1  TYR  25           HD1      TYR  25   6.281   8.261   1.783
  177    HD2  TYR  25           HD2      TYR  25   5.224   4.847  -0.524
  178    HE1  TYR  25           HE1      TYR  25   8.506   7.298   2.199
  179    HE2  TYR  25           HE2      TYR  25   7.446   3.874  -0.116
  180    HH   TYR  25           HH       TYR  25   9.709   4.634   0.477
  181    H    ALA  26           H        ALA  26   3.826   8.594   3.001
  182    HA   ALA  26           HA       ALA  26   1.211   9.789   3.305
  183    HB1  ALA  26           HB1      ALA  26   3.849  10.589   4.510
  184    HB2  ALA  26           HB2      ALA  26   2.678   9.486   5.233
  185    HB3  ALA  26           HB3      ALA  26   2.258  11.181   4.990
  186    H    GLY  27           H        GLY  27   3.974  10.319   1.354
  187    HA2  GLY  27           HA2      GLY  27   3.116  13.071   0.720
  188    HA3  GLY  27           HA3      GLY  27   4.729  12.435   0.444
  189    H    GLN  28           H        GLN  28   1.979  10.467  -0.348
  190    HA   GLN  28           HA       GLN  28   2.224  11.154  -3.189
  191    HB2  GLN  28           HB2      GLN  28   2.396   8.422  -1.953
  192    HB3  GLN  28           HB3      GLN  28   1.878   8.633  -3.620
  193    HG2  GLN  28           HG2      GLN  28   4.007   9.785  -4.103
  194    HG3  GLN  28           HG3      GLN  28   4.525   9.468  -2.447
  195   HE21  GLN  28          HE21      GLN  28   5.106   7.397  -1.851
  196   HE22  GLN  28          HE22      GLN  28   5.384   6.139  -3.001
  197    H    LYS  29           H        LYS  29   0.341   9.464  -0.750
  198    HA   LYS  29           HA       LYS  29  -1.875   9.146  -0.384
  199    HB2  LYS  29           HB2      LYS  29  -2.077  11.581  -2.158
  200    HB3  LYS  29           HB3      LYS  29  -3.487  10.827  -1.426
  201    HG2  LYS  29           HG2      LYS  29  -2.553  11.230   0.796
  202    HG3  LYS  29           HG3      LYS  29  -1.135  11.983   0.062
  203    HD2  LYS  29           HD2      LYS  29  -2.568  13.700  -0.936
  204    HD3  LYS  29           HD3      LYS  29  -3.984  12.945  -0.202
  205    HE2  LYS  29           HE2      LYS  29  -3.049  13.362   2.021
  206    HE3  LYS  29           HE3      LYS  29  -1.634  14.115   1.286
  207    HZ1  LYS  29           HZ1      LYS  29  -4.431  15.088   1.047
  208    HZ2  LYS  29           HZ2      LYS  29  -3.074  15.810   0.341
  209    HZ3  LYS  29           HZ3      LYS  29  -3.227  15.768   2.024
  210    H    SER  30           H        SER  30  -0.446   8.155  -3.008
  211    HA   SER  30           HA       SER  30  -2.550   6.479  -3.902
  212    HB2  SER  30           HB2      SER  30  -2.575   7.250  -6.300
  213    HB3  SER  30           HB3      SER  30  -3.319   8.391  -5.182
  214    HG   SER  30           HG       SER  30  -2.005   9.682  -6.274
  215    H    GLY  31           H        GLY  31  -1.046   4.910  -3.387
  216    HA2  GLY  31           HA2      GLY  31   1.480   4.855  -4.866
  217    HA3  GLY  31           HA3      GLY  31   1.049   3.829  -3.508
  218    H    THR  32           H        THR  32   1.911   2.073  -4.876
  219    HA   THR  32           HA       THR  32  -0.226   0.835  -6.352
  220    HB   THR  32           HB       THR  32   0.673   2.128  -8.180
  221    HG1  THR  32           HG1      THR  32   1.264  -0.634  -8.186
  222   HG21  THR  32          HG21      THR  32   3.070   1.670  -8.949
  223   HG22  THR  32          HG22      THR  32   3.352   1.041  -7.326
  224   HG23  THR  32          HG23      THR  32   2.868   2.723  -7.550
  225    H    CYS  33           H        CYS  33  -0.249  -1.251  -5.947
  226    HA   CYS  33           HA       CYS  33   1.981  -2.547  -4.681
  227    HB2  CYS  33           HB2      CYS  33  -0.316  -3.153  -4.032
  228    HB3  CYS  33           HB3      CYS  33  -0.613  -3.788  -5.645
  229    H    ALA  34           H        ALA  34   3.638  -3.153  -5.729
  230    HA   ALA  34           HA       ALA  34   3.488  -4.517  -8.301
  231    HB1  ALA  34           HB1      ALA  34   5.120  -2.031  -7.803
  232    HB2  ALA  34           HB2      ALA  34   3.744  -2.182  -8.896
  233    HB3  ALA  34           HB3      ALA  34   5.242  -3.048  -9.237
  234    H    ASN  35           H        ASN  35   5.733  -5.377  -8.910
  235    HA   ASN  35           HA       ASN  35   6.846  -6.712  -6.610
  236    HB2  ASN  35           HB2      ASN  35   7.348  -6.869  -9.573
  237    HB3  ASN  35           HB3      ASN  35   8.422  -7.675  -8.436
  238   HD21  ASN  35          HD21      ASN  35   5.271  -7.633  -9.869
  239   HD22  ASN  35          HD22      ASN  35   4.755  -9.171  -9.276
  240    H    ARG  36           H        ARG  36   8.905  -6.605  -5.800
  241    HA   ARG  36           HA       ARG  36  10.333  -4.103  -6.342
  242    HB2  ARG  36           HB2      ARG  36   9.553  -5.060  -3.981
  243    HB3  ARG  36           HB3      ARG  36  11.093  -5.901  -4.087
  244    HG2  ARG  36           HG2      ARG  36  12.249  -3.767  -4.348
  245    HG3  ARG  36           HG3      ARG  36  10.706  -2.917  -4.256
  246    HD2  ARG  36           HD2      ARG  36  11.638  -2.764  -2.099
  247    HD3  ARG  36           HD3      ARG  36  10.399  -4.012  -1.989
  248    HE   ARG  36           HE       ARG  36  12.823  -5.267  -2.564
  249   HH11  ARG  36          HH11      ARG  36  11.403  -3.459   0.091
  250   HH12  ARG  36          HH12      ARG  36  12.354  -4.259   1.296
  251   HH21  ARG  36          HH21      ARG  36  13.854  -5.867   0.696
  252   HH22  ARG  36          HH22      ARG  36  14.057  -6.302  -0.968
  Start of MODEL    6
    1    H    PCA   1           H3       PCA   1   1.029 -13.380  -5.122
    2    HA   PCA   1           HA       PCA   1  -0.112 -15.530  -5.017
    3    HB2  PCA   1           HB2      PCA   1  -0.016 -15.867  -2.185
    4    HB3  PCA   1           HB3      PCA   1   0.615 -16.951  -3.445
    5    HG2  PCA   1           HG2      PCA   1   2.046 -15.145  -1.734
    6    HG3  PCA   1           HG3      PCA   1   2.671 -16.366  -2.857
    7    H    CYS   2           H        CYS   2   0.007 -12.621  -3.210
    8    HA   CYS   2           HA       CYS   2  -2.925 -12.626  -2.934
    9    HB2  CYS   2           HB2      CYS   2  -1.226 -11.185  -0.927
   10    HB3  CYS   2           HB3      CYS   2  -2.875 -11.780  -0.768
   11    H    LYS   3           H        LYS   3  -0.096 -11.032  -3.954
   12    HA   LYS   3           HA       LYS   3  -1.141  -8.362  -4.016
   13    HB2  LYS   3           HB2      LYS   3   0.998  -8.299  -5.741
   14    HB3  LYS   3           HB3      LYS   3   1.084  -7.985  -4.023
   15    HG2  LYS   3           HG2      LYS   3   2.818  -9.497  -4.481
   16    HG3  LYS   3           HG3      LYS   3   1.552 -10.466  -3.729
   17    HD2  LYS   3           HD2      LYS   3   0.904 -11.399  -5.808
   18    HD3  LYS   3           HD3      LYS   3   1.850 -10.219  -6.715
   19    HE2  LYS   3           HE2      LYS   3   3.910 -11.187  -5.864
   20    HE3  LYS   3           HE3      LYS   3   2.991 -12.330  -4.887
   21    HZ1  LYS   3           HZ1      LYS   3   2.982 -12.191  -7.855
   22    HZ2  LYS   3           HZ2      LYS   3   2.099 -13.289  -6.920
   23    HZ3  LYS   3           HZ3      LYS   3   3.789 -13.350  -6.923
   24    HA   PRO   4           HA       PRO   4  -2.969  -8.808  -8.096
   25    HB2  PRO   4           HB2      PRO   4  -3.608  -6.058  -8.306
   26    HB3  PRO   4           HB3      PRO   4  -4.625  -7.322  -7.595
   27    HG2  PRO   4           HG2      PRO   4  -3.517  -5.189  -6.206
   28    HG3  PRO   4           HG3      PRO   4  -4.150  -6.677  -5.483
   29    HD2  PRO   4           HD2      PRO   4  -1.314  -5.947  -6.125
   30    HD3  PRO   4           HD3      PRO   4  -1.972  -6.789  -4.704
   31    H    ASN   5           H        ASN   5  -0.249  -6.836  -7.501
   32    HA   ASN   5           HA       ASN   5   1.241  -5.649  -8.710
   33    HB2  ASN   5           HB2      ASN   5   1.574  -7.151 -11.073
   34    HB3  ASN   5           HB3      ASN   5   2.550  -7.205  -9.615
   35   HD21  ASN   5          HD21      ASN   5   2.230  -8.860  -8.131
   36   HD22  ASN   5          HD22      ASN   5   1.371 -10.303  -8.538
   37    H    GLY   6           H        GLY   6   0.420  -3.768  -9.219
   38    HA2  GLY   6           HA2      GLY   6   0.269  -2.306 -11.203
   39    HA3  GLY   6           HA3      GLY   6  -0.866  -3.475 -11.862
   40    H    ALA   7           H        ALA   7  -1.222  -3.023  -8.508
   41    HA   ALA   7           HA       ALA   7  -3.648  -1.430  -8.950
   42    HB1  ALA   7           HB1      ALA   7  -4.440  -2.309  -6.850
   43    HB2  ALA   7           HB2      ALA   7  -2.871  -3.046  -6.527
   44    HB3  ALA   7           HB3      ALA   7  -3.869  -3.640  -7.856
   45    H    LYS   8           H        LYS   8  -4.253   0.085  -7.139
   46    HA   LYS   8           HA       LYS   8  -1.939   1.741  -6.479
   47    HB2  LYS   8           HB2      LYS   8  -4.822   2.229  -6.939
   48    HB3  LYS   8           HB3      LYS   8  -4.038   3.258  -5.747
   49    HG2  LYS   8           HG2      LYS   8  -2.558   4.150  -7.314
   50    HG3  LYS   8           HG3      LYS   8  -2.867   2.854  -8.473
   51    HD2  LYS   8           HD2      LYS   8  -5.125   3.680  -8.827
   52    HD3  LYS   8           HD3      LYS   8  -4.874   4.938  -7.615
   53    HE2  LYS   8           HE2      LYS   8  -3.094   5.903  -8.994
   54    HE3  LYS   8           HE3      LYS   8  -3.349   4.645 -10.203
   55    HZ1  LYS   8           HZ1      LYS   8  -4.463   6.695 -10.815
   56    HZ2  LYS   8           HZ2      LYS   8  -5.349   6.680  -9.375
   57    HZ3  LYS   8           HZ3      LYS   8  -5.597   5.472 -10.532
   58    H    CYS   9           H        CYS   9  -1.728   2.739  -4.441
   59    HA   CYS   9           HA       CYS   9  -2.968   1.339  -2.162
   60    HB2  CYS   9           HB2      CYS   9  -0.191   1.391  -2.965
   61    HB3  CYS   9           HB3      CYS   9  -0.370   2.174  -1.400
   62    H    THR  10           H        THR  10  -4.425   3.073  -2.063
   63    HA   THR  10           HA       THR  10  -3.693   5.803  -1.884
   64    HB   THR  10           HB       THR  10  -6.205   4.866  -0.572
   65    HG1  THR  10           HG1      THR  10  -5.454   3.969  -2.983
   66   HG21  THR  10          HG21      THR  10  -7.154   6.767  -1.802
   67   HG22  THR  10          HG22      THR  10  -5.596   7.039  -2.583
   68   HG23  THR  10          HG23      THR  10  -5.760   7.259  -0.841
   69    H    GLU  11           H        GLU  11  -4.113   7.194   0.019
   70    HA   GLU  11           HA       GLU  11  -2.497   6.541   2.201
   71    HB2  GLU  11           HB2      GLU  11  -3.072   8.839   1.400
   72    HB3  GLU  11           HB3      GLU  11  -4.665   8.644   2.112
   73    HG2  GLU  11           HG2      GLU  11  -3.769   8.567   4.305
   74    HG3  GLU  11           HG3      GLU  11  -2.120   8.455   3.692
   75    H    ILE  12           H        ILE  12  -5.859   5.964   1.692
   76    HA   ILE  12           HA       ILE  12  -6.149   4.926   4.417
   77    HB   ILE  12           HB       ILE  12  -8.519   5.615   2.732
   78   HG12  ILE  12          HG12      ILE  12  -7.193   7.680   2.617
   79   HG13  ILE  12          HG13      ILE  12  -8.612   7.914   3.621
   80   HG21  ILE  12          HG21      ILE  12  -8.903   4.415   4.767
   81   HG22  ILE  12          HG22      ILE  12  -9.558   6.048   4.909
   82   HG23  ILE  12          HG23      ILE  12  -8.032   5.637   5.694
   83   HD11  ILE  12          HD11      ILE  12  -6.628   9.036   4.521
   84   HD12  ILE  12          HD12      ILE  12  -5.805   7.480   4.644
   85   HD13  ILE  12          HD13      ILE  12  -7.235   7.801   5.625
   86    H    SER  13           H        SER  13  -5.806   3.935   1.206
   87    HA   SER  13           HA       SER  13  -7.144   1.403   1.819
   88    HB2  SER  13           HB2      SER  13  -7.274   2.813  -0.853
   89    HB3  SER  13           HB3      SER  13  -7.925   1.210  -0.510
   90    HG   SER  13           HG       SER  13  -8.880   2.875   1.314
   91    H    ILE  14           H        ILE  14  -6.162  -0.433   1.199
   92    HA   ILE  14           HA       ILE  14  -3.840  -0.340  -0.528
   93    HB   ILE  14           HB       ILE  14  -2.366  -1.561   1.100
   94   HG12  ILE  14          HG12      ILE  14  -3.027  -0.776   3.592
   95   HG13  ILE  14          HG13      ILE  14  -4.643  -1.016   2.935
   96   HG21  ILE  14          HG21      ILE  14  -3.125   1.261   1.799
   97   HG22  ILE  14          HG22      ILE  14  -1.933   0.742   0.607
   98   HG23  ILE  14          HG23      ILE  14  -1.649   0.452   2.325
   99   HD11  ILE  14          HD11      ILE  14  -3.844  -3.014   4.057
  100   HD12  ILE  14          HD12      ILE  14  -2.438  -3.064   2.992
  101   HD13  ILE  14          HD13      ILE  14  -4.055  -3.309   2.330
  102    HA   PRO  15           HA       PRO  15  -5.493  -4.391  -1.585
  103    HB2  PRO  15           HB2      PRO  15  -3.403  -5.279  -3.108
  104    HB3  PRO  15           HB3      PRO  15  -4.539  -4.044  -3.681
  105    HG2  PRO  15           HG2      PRO  15  -1.827  -3.700  -2.489
  106    HG3  PRO  15           HG3      PRO  15  -2.534  -2.933  -3.928
  107    HD2  PRO  15           HD2      PRO  15  -2.410  -1.662  -1.580
  108    HD3  PRO  15           HD3      PRO  15  -3.778  -1.442  -2.692
  109    HA   PRO  16           HA       PRO  16  -3.535  -7.385   1.138
  110    HB2  PRO  16           HB2      PRO  16  -3.082  -9.549  -0.767
  111    HB3  PRO  16           HB3      PRO  16  -4.320  -9.427   0.494
  112    HG2  PRO  16           HG2      PRO  16  -4.925  -9.348  -2.126
  113    HG3  PRO  16           HG3      PRO  16  -5.847  -8.449  -0.903
  114    HD2  PRO  16           HD2      PRO  16  -3.697  -7.464  -2.740
  115    HD3  PRO  16           HD3      PRO  16  -5.271  -6.728  -2.358
  116    H    CYS  17           H        CYS  17  -1.792  -8.046  -1.923
  117    HA   CYS  17           HA       CYS  17   0.372  -8.436  -2.418
  118    HB2  CYS  17           HB2      CYS  17   1.138  -6.223  -0.541
  119    HB3  CYS  17           HB3      CYS  17   1.844  -6.642  -2.097
  120    H    CYS  18           H        CYS  18   1.179 -10.286  -1.841
  121    HA   CYS  18           HA       CYS  18   2.044 -10.694   0.928
  122    HB2  CYS  18           HB2      CYS  18   1.189 -12.520  -1.263
  123    HB3  CYS  18           HB3      CYS  18   2.345 -13.132  -0.086
  124    H    SER  19           H        SER  19   3.290 -10.060  -2.196
  125    HA   SER  19           HA       SER  19   6.005 -10.482  -1.181
  126    HB2  SER  19           HB2      SER  19   5.137 -11.454  -3.908
  127    HB3  SER  19           HB3      SER  19   6.770 -11.533  -3.251
  128    HG   SER  19           HG       SER  19   4.590 -13.138  -2.758
  129    H    ASN  20           H        ASN  20   3.824  -8.753  -3.199
  130    HA   ASN  20           HA       ASN  20   5.823  -7.192  -4.564
  131    HB2  ASN  20           HB2      ASN  20   2.823  -7.092  -4.406
  132    HB3  ASN  20           HB3      ASN  20   3.727  -5.821  -5.206
  133   HD21  ASN  20          HD21      ASN  20   4.762  -9.171  -5.267
  134   HD22  ASN  20          HD22      ASN  20   4.427  -9.438  -6.941
  135    H    PHE  21           H        PHE  21   4.877  -4.582  -4.433
  136    HA   PHE  21           HA       PHE  21   5.337  -3.893  -1.609
  137    HB2  PHE  21           HB2      PHE  21   6.539  -1.878  -2.382
  138    HB3  PHE  21           HB3      PHE  21   7.321  -3.364  -2.881
  139    HD1  PHE  21           HD1      PHE  21   7.855  -3.727  -5.105
  140    HD2  PHE  21           HD2      PHE  21   5.160  -0.592  -4.106
  141    HE1  PHE  21           HE1      PHE  21   8.034  -2.857  -7.396
  142    HE2  PHE  21           HE2      PHE  21   5.330   0.278  -6.403
  143    HZ   PHE  21           HZ       PHE  21   6.766  -0.852  -8.049
  144    H    CYS  22           H        CYS  22   4.465  -1.903  -0.846
  145    HA   CYS  22           HA       CYS  22   2.115  -0.968  -2.357
  146    HB2  CYS  22           HB2      CYS  22   1.304  -2.190  -0.456
  147    HB3  CYS  22           HB3      CYS  22   2.454  -1.404   0.619
  148    H    LEU  23           H        LEU  23   2.391   1.034  -3.048
  149    HA   LEU  23           HA       LEU  23   4.416   2.728  -1.860
  150    HB2  LEU  23           HB2      LEU  23   2.785   2.841  -4.361
  151    HB3  LEU  23           HB3      LEU  23   3.637   4.266  -3.809
  152    HG   LEU  23           HG       LEU  23   4.844   1.612  -4.592
  153   HD11  LEU  23          HD11      LEU  23   5.536   2.622  -6.530
  154   HD12  LEU  23          HD12      LEU  23   5.507   4.238  -5.829
  155   HD13  LEU  23          HD13      LEU  23   3.997   3.444  -6.269
  156   HD21  LEU  23          HD21      LEU  23   6.033   3.978  -3.194
  157   HD22  LEU  23          HD22      LEU  23   7.011   3.093  -4.362
  158   HD23  LEU  23          HD23      LEU  23   6.349   2.258  -2.958
  159    H    ARG  24           H        ARG  24   2.384   2.297  -0.147
  160    HA   ARG  24           HA       ARG  24   0.582   4.564  -0.070
  161    HB2  ARG  24           HB2      ARG  24   0.169   2.154   0.818
  162    HB3  ARG  24           HB3      ARG  24   1.107   2.656   2.208
  163    HG2  ARG  24           HG2      ARG  24  -1.288   4.247   1.352
  164    HG3  ARG  24           HG3      ARG  24  -1.486   2.767   2.288
  165    HD2  ARG  24           HD2      ARG  24   0.261   3.833   3.888
  166    HD3  ARG  24           HD3      ARG  24  -0.165   5.340   3.080
  167    HE   ARG  24           HE       ARG  24  -2.556   4.617   3.755
  168   HH11  ARG  24          HH11      ARG  24   0.327   4.119   5.699
  169   HH12  ARG  24          HH12      ARG  24  -0.537   4.165   7.200
  170   HH21  ARG  24          HH21      ARG  24  -3.668   4.665   5.736
  171   HH22  ARG  24          HH22      ARG  24  -2.795   4.473   7.219
  172    H    TYR  25           H        TYR  25   2.335   6.112  -0.235
  173    HA   TYR  25           HA       TYR  25   4.314   6.453   1.764
  174    HB2  TYR  25           HB2      TYR  25   3.889   7.485  -0.735
  175    HB3  TYR  25           HB3      TYR  25   3.525   8.869   0.291
  176    HD1  TYR  25           HD1      TYR  25   5.253   9.915   1.638
  177    HD2  TYR  25           HD2      TYR  25   6.141   6.566  -0.832
  178    HE1  TYR  25           HE1      TYR  25   7.654  10.378   1.883
  179    HE2  TYR  25           HE2      TYR  25   8.546   7.020  -0.592
  180    HH   TYR  25           HH       TYR  25   9.789   9.174   1.716
  181    H    ALA  26           H        ALA  26   4.500   8.619   2.991
  182    HA   ALA  26           HA       ALA  26   2.235   8.849   4.749
  183    HB1  ALA  26           HB1      ALA  26   4.522   8.848   5.604
  184    HB2  ALA  26           HB2      ALA  26   3.646  10.306   6.069
  185    HB3  ALA  26           HB3      ALA  26   4.830  10.366   4.762
  186    H    GLY  27           H        GLY  27   3.432  10.605   2.039
  187    HA2  GLY  27           HA2      GLY  27   1.429  12.724   2.527
  188    HA3  GLY  27           HA3      GLY  27   3.003  13.071   1.830
  189    H    GLN  28           H        GLN  28   1.175  10.203   0.993
  190    HA   GLN  28           HA       GLN  28   0.334  11.395  -1.554
  191    HB2  GLN  28           HB2      GLN  28   1.937   8.849  -1.258
  192    HB3  GLN  28           HB3      GLN  28   1.074   9.285  -2.722
  193    HG2  GLN  28           HG2      GLN  28   2.440  11.299  -2.934
  194    HG3  GLN  28           HG3      GLN  28   3.308  10.863  -1.463
  195   HE21  GLN  28          HE21      GLN  28   2.790  10.125  -4.818
  196   HE22  GLN  28          HE22      GLN  28   4.156   9.086  -5.012
  197    H    LYS  29           H        LYS  29  -1.389  10.310  -2.597
  198    HA   LYS  29           HA       LYS  29  -2.815   8.333  -0.954
  199    HB2  LYS  29           HB2      LYS  29  -4.968   9.448  -1.630
  200    HB3  LYS  29           HB3      LYS  29  -3.966  10.385  -0.537
  201    HG2  LYS  29           HG2      LYS  29  -3.208  11.766  -2.415
  202    HG3  LYS  29           HG3      LYS  29  -4.211  10.817  -3.514
  203    HD2  LYS  29           HD2      LYS  29  -6.211  11.507  -2.278
  204    HD3  LYS  29           HD3      LYS  29  -5.206  12.456  -1.182
  205    HE2  LYS  29           HE2      LYS  29  -4.469  13.840  -3.061
  206    HE3  LYS  29           HE3      LYS  29  -5.470  12.888  -4.156
  207    HZ1  LYS  29           HZ1      LYS  29  -6.465  14.524  -1.885
  208    HZ2  LYS  29           HZ2      LYS  29  -7.427  13.610  -2.935
  209    HZ3  LYS  29           HZ3      LYS  29  -6.565  14.941  -3.521
  210    H    SER  30           H        SER  30  -1.113   7.701  -3.086
  211    HA   SER  30           HA       SER  30  -2.827   6.124  -4.726
  212    HB2  SER  30           HB2      SER  30  -2.017   7.041  -6.929
  213    HB3  SER  30           HB3      SER  30  -3.083   8.139  -6.054
  214    HG   SER  30           HG       SER  30  -0.267   8.266  -6.318
  215    H    GLY  31           H        GLY  31  -1.558   4.551  -3.683
  216    HA2  GLY  31           HA2      GLY  31   1.299   4.495  -4.179
  217    HA3  GLY  31           HA3      GLY  31   0.388   3.348  -3.220
  218    H    THR  32           H        THR  32   1.782   1.744  -4.380
  219    HA   THR  32           HA       THR  32   0.410   0.778  -6.743
  220    HB   THR  32           HB       THR  32   3.383   1.338  -6.876
  221    HG1  THR  32           HG1      THR  32   2.412   3.295  -7.106
  222   HG21  THR  32          HG21      THR  32   1.475   0.405  -9.025
  223   HG22  THR  32          HG22      THR  32   2.675  -0.596  -8.210
  224   HG23  THR  32          HG23      THR  32   3.195   0.741  -9.234
  225    H    CYS  33           H        CYS  33   0.021  -1.260  -6.186
  226    HA   CYS  33           HA       CYS  33   2.029  -2.800  -4.741
  227    HB2  CYS  33           HB2      CYS  33  -0.357  -3.070  -4.079
  228    HB3  CYS  33           HB3      CYS  33  -0.699  -3.753  -5.666
  229    H    ALA  34           H        ALA  34   3.614  -3.251  -5.978
  230    HA   ALA  34           HA       ALA  34   3.278  -4.747  -8.461
  231    HB1  ALA  34           HB1      ALA  34   5.070  -3.326  -9.496
  232    HB2  ALA  34           HB2      ALA  34   4.888  -2.222  -8.132
  233    HB3  ALA  34           HB3      ALA  34   3.537  -2.497  -9.229
  234    H    ASN  35           H        ASN  35   5.471  -5.667  -9.176
  235    HA   ASN  35           HA       ASN  35   6.669  -6.952  -6.893
  236    HB2  ASN  35           HB2      ASN  35   7.026  -7.224  -9.870
  237    HB3  ASN  35           HB3      ASN  35   8.118  -8.031  -8.750
  238   HD21  ASN  35          HD21      ASN  35   4.935  -7.943 -10.086
  239   HD22  ASN  35          HD22      ASN  35   4.378  -9.427  -9.400
  240    H    ARG  36           H        ARG  36   8.825  -6.982  -6.304
  241    HA   ARG  36           HA       ARG  36  10.199  -4.453  -6.685
  242    HB2  ARG  36           HB2      ARG  36  11.709  -5.306  -4.861
  243    HB3  ARG  36           HB3      ARG  36  10.024  -5.136  -4.407
  244    HG2  ARG  36           HG2      ARG  36   9.722  -7.564  -4.661
  245    HG3  ARG  36           HG3      ARG  36  11.428  -7.720  -5.084
  246    HD2  ARG  36           HD2      ARG  36  10.488  -6.504  -2.496
  247    HD3  ARG  36           HD3      ARG  36  10.806  -8.228  -2.679
  248    HE   ARG  36           HE       ARG  36  13.061  -6.855  -3.574
  249   HH11  ARG  36          HH11      ARG  36  11.362  -7.337  -0.537
  250   HH12  ARG  36          HH12      ARG  36  12.789  -7.142   0.423
  251   HH21  ARG  36          HH21      ARG  36  14.799  -6.727  -0.571
  252   HH22  ARG  36          HH22      ARG  36  14.916  -6.603  -2.295
  Start of MODEL    7
    1    H    PCA   1           H3       PCA   1   1.468 -13.382  -4.472
    2    HA   PCA   1           HA       PCA   1   0.338 -15.483  -5.035
    3    HB2  PCA   1           HB2      PCA   1  -0.321 -16.214  -2.345
    4    HB3  PCA   1           HB3      PCA   1   0.567 -17.156  -3.564
    5    HG2  PCA   1           HG2      PCA   1   1.588 -15.708  -1.304
    6    HG3  PCA   1           HG3      PCA   1   2.434 -16.798  -2.418
    7    H    CYS   2           H        CYS   2  -0.011 -12.747  -3.061
    8    HA   CYS   2           HA       CYS   2  -2.929 -12.801  -3.422
    9    HB2  CYS   2           HB2      CYS   2  -3.276 -11.794  -1.251
   10    HB3  CYS   2           HB3      CYS   2  -2.352 -13.277  -1.064
   11    H    LYS   3           H        LYS   3  -0.099 -11.199  -4.145
   12    HA   LYS   3           HA       LYS   3  -1.067  -8.495  -4.070
   13    HB2  LYS   3           HB2      LYS   3   1.086  -8.455  -5.825
   14    HB3  LYS   3           HB3      LYS   3   1.147  -8.100  -4.116
   15    HG2  LYS   3           HG2      LYS   3   2.878  -9.629  -4.534
   16    HG3  LYS   3           HG3      LYS   3   1.605 -10.556  -3.742
   17    HD2  LYS   3           HD2      LYS   3   0.886 -11.465  -5.862
   18    HD3  LYS   3           HD3      LYS   3   2.030 -10.440  -6.729
   19    HE2  LYS   3           HE2      LYS   3   2.969 -12.393  -4.657
   20    HE3  LYS   3           HE3      LYS   3   2.641 -12.916  -6.307
   21    HZ1  LYS   3           HZ1      LYS   3   4.490 -10.700  -5.625
   22    HZ2  LYS   3           HZ2      LYS   3   4.286 -11.437  -7.133
   23    HZ3  LYS   3           HZ3      LYS   3   4.990 -12.300  -5.859
   24    HA   PRO   4           HA       PRO   4  -2.895  -8.669  -8.161
   25    HB2  PRO   4           HB2      PRO   4  -3.430  -5.889  -8.233
   26    HB3  PRO   4           HB3      PRO   4  -4.498  -7.152  -7.600
   27    HG2  PRO   4           HG2      PRO   4  -3.336  -5.143  -6.083
   28    HG3  PRO   4           HG3      PRO   4  -4.009  -6.655  -5.450
   29    HD2  PRO   4           HD2      PRO   4  -1.154  -5.966  -6.052
   30    HD3  PRO   4           HD3      PRO   4  -1.836  -6.860  -4.676
   31    H    ASN   5           H        ASN   5  -0.147  -6.725  -7.482
   32    HA   ASN   5           HA       ASN   5   1.346  -5.503  -8.670
   33    HB2  ASN   5           HB2      ASN   5   1.752  -6.996 -11.018
   34    HB3  ASN   5           HB3      ASN   5   2.681  -7.066  -9.532
   35   HD21  ASN   5          HD21      ASN   5   2.313  -8.738  -8.078
   36   HD22  ASN   5          HD22      ASN   5   1.469 -10.176  -8.528
   37    H    GLY   6           H        GLY   6   0.432  -3.648  -9.169
   38    HA2  GLY   6           HA2      GLY   6   0.287  -2.158 -11.126
   39    HA3  GLY   6           HA3      GLY   6  -0.754  -3.370 -11.861
   40    H    ALA   7           H        ALA   7  -1.233  -2.947  -8.505
   41    HA   ALA   7           HA       ALA   7  -3.797  -1.618  -8.998
   42    HB1  ALA   7           HB1      ALA   7  -4.355  -2.336  -6.707
   43    HB2  ALA   7           HB2      ALA   7  -2.741  -3.029  -6.550
   44    HB3  ALA   7           HB3      ALA   7  -3.871  -3.684  -7.737
   45    H    LYS   8           H        LYS   8  -4.479  -0.155  -6.978
   46    HA   LYS   8           HA       LYS   8  -2.263   1.724  -6.505
   47    HB2  LYS   8           HB2      LYS   8  -4.987   2.110  -7.478
   48    HB3  LYS   8           HB3      LYS   8  -4.557   3.197  -6.163
   49    HG2  LYS   8           HG2      LYS   8  -3.027   4.319  -7.405
   50    HG3  LYS   8           HG3      LYS   8  -2.597   2.897  -8.360
   51    HD2  LYS   8           HD2      LYS   8  -4.629   3.071  -9.634
   52    HD3  LYS   8           HD3      LYS   8  -5.202   4.389  -8.611
   53    HE2  LYS   8           HE2      LYS   8  -3.331   5.781  -9.366
   54    HE3  LYS   8           HE3      LYS   8  -2.765   4.462 -10.389
   55    HZ1  LYS   8           HZ1      LYS   8  -4.028   6.079 -11.656
   56    HZ2  LYS   8           HZ2      LYS   8  -5.372   5.860 -10.653
   57    HZ3  LYS   8           HZ3      LYS   8  -4.834   4.591 -11.633
   58    H    CYS   9           H        CYS   9  -1.991   2.674  -4.588
   59    HA   CYS   9           HA       CYS   9  -3.505   1.619  -2.270
   60    HB2  CYS   9           HB2      CYS   9  -0.657   2.606  -2.548
   61    HB3  CYS   9           HB3      CYS   9  -1.418   2.308  -0.997
   62    H    THR  10           H        THR  10  -3.981   3.106  -0.568
   63    HA   THR  10           HA       THR  10  -3.578   5.950  -1.042
   64    HB   THR  10           HB       THR  10  -6.079   6.342  -0.509
   65    HG1  THR  10           HG1      THR  10  -6.005   3.631  -0.819
   66   HG21  THR  10          HG21      THR  10  -5.256   5.270  -3.211
   67   HG22  THR  10          HG22      THR  10  -5.049   6.927  -2.644
   68   HG23  THR  10          HG23      THR  10  -6.670   6.276  -2.890
   69    H    GLU  11           H        GLU  11  -4.381   7.274   0.827
   70    HA   GLU  11           HA       GLU  11  -3.350   6.282   3.243
   71    HB2  GLU  11           HB2      GLU  11  -4.287   8.377   4.262
   72    HB3  GLU  11           HB3      GLU  11  -3.242   8.622   2.874
   73    HG2  GLU  11           HG2      GLU  11  -5.254   8.932   1.462
   74    HG3  GLU  11           HG3      GLU  11  -6.253   8.780   2.907
   75    H    ILE  12           H        ILE  12  -6.231   5.438   1.896
   76    HA   ILE  12           HA       ILE  12  -7.372   4.712   4.497
   77    HB   ILE  12           HB       ILE  12  -9.538   4.782   2.785
   78   HG12  ILE  12          HG12      ILE  12  -9.502   7.287   2.130
   79   HG13  ILE  12          HG13      ILE  12  -7.754   7.147   2.248
   80   HG21  ILE  12          HG21      ILE  12  -8.661   6.803   4.833
   81   HG22  ILE  12          HG22      ILE  12  -9.573   5.324   5.135
   82   HG23  ILE  12          HG23      ILE  12 -10.301   6.635   4.207
   83   HD11  ILE  12          HD11      ILE  12  -8.381   6.883  -0.034
   84   HD12  ILE  12          HD12      ILE  12  -9.577   5.655   0.380
   85   HD13  ILE  12          HD13      ILE  12  -7.858   5.311   0.571
   86    H    SER  13           H        SER  13  -6.394   3.673   1.360
   87    HA   SER  13           HA       SER  13  -7.473   1.017   1.947
   88    HB2  SER  13           HB2      SER  13  -8.939   2.176   0.264
   89    HB3  SER  13           HB3      SER  13  -7.555   2.212  -0.827
   90    HG   SER  13           HG       SER  13  -7.513  -0.112  -0.627
   91    H    ILE  14           H        ILE  14  -6.379  -0.733   1.167
   92    HA   ILE  14           HA       ILE  14  -3.914  -0.438  -0.304
   93    HB   ILE  14           HB       ILE  14  -2.535  -1.677   1.390
   94   HG12  ILE  14          HG12      ILE  14  -3.460  -1.049   3.850
   95   HG13  ILE  14          HG13      ILE  14  -4.990  -1.346   3.029
   96   HG21  ILE  14          HG21      ILE  14  -2.207   0.680   1.037
   97   HG22  ILE  14          HG22      ILE  14  -1.982   0.281   2.741
   98   HG23  ILE  14          HG23      ILE  14  -3.473   1.057   2.206
   99   HD11  ILE  14          HD11      ILE  14  -2.678  -3.266   3.203
  100   HD12  ILE  14          HD12      ILE  14  -4.207  -3.565   2.377
  101   HD13  ILE  14          HD13      ILE  14  -4.178  -3.353   4.127
  102    HA   PRO  15           HA       PRO  15  -5.278  -4.544  -1.538
  103    HB2  PRO  15           HB2      PRO  15  -3.126  -5.282  -3.018
  104    HB3  PRO  15           HB3      PRO  15  -4.260  -4.035  -3.571
  105    HG2  PRO  15           HG2      PRO  15  -1.585  -3.721  -2.300
  106    HG3  PRO  15           HG3      PRO  15  -2.291  -2.860  -3.684
  107    HD2  PRO  15           HD2      PRO  15  -2.218  -1.818  -1.178
  108    HD3  PRO  15           HD3      PRO  15  -3.480  -1.424  -2.361
  109    HA   PRO  16           HA       PRO  16  -3.257  -7.496   1.183
  110    HB2  PRO  16           HB2      PRO  16  -2.847  -9.656  -0.722
  111    HB3  PRO  16           HB3      PRO  16  -4.082  -9.521   0.541
  112    HG2  PRO  16           HG2      PRO  16  -4.673  -9.440  -2.094
  113    HG3  PRO  16           HG3      PRO  16  -5.617  -8.580  -0.861
  114    HD2  PRO  16           HD2      PRO  16  -3.507  -7.517  -2.698
  115    HD3  PRO  16           HD3      PRO  16  -5.080  -6.813  -2.265
  116    H    CYS  17           H        CYS  17  -1.610  -8.092  -1.941
  117    HA   CYS  17           HA       CYS  17   0.533  -8.489  -2.507
  118    HB2  CYS  17           HB2      CYS  17   1.327  -6.275  -0.638
  119    HB3  CYS  17           HB3      CYS  17   2.023  -6.694  -2.199
  120    H    CYS  18           H        CYS  18   1.280 -10.373  -1.948
  121    HA   CYS  18           HA       CYS  18   2.210 -10.859   0.777
  122    HB2  CYS  18           HB2      CYS  18   1.666 -12.681  -1.561
  123    HB3  CYS  18           HB3      CYS  18   2.457 -13.242  -0.093
  124    H    SER  19           H        SER  19   3.392 -10.193  -2.373
  125    HA   SER  19           HA       SER  19   6.150 -10.542  -1.419
  126    HB2  SER  19           HB2      SER  19   5.177 -11.385  -4.158
  127    HB3  SER  19           HB3      SER  19   6.854 -11.408  -3.615
  128    HG   SER  19           HG       SER  19   4.861 -12.787  -2.178
  129    H    ASN  20           H        ASN  20   3.825  -8.736  -3.162
  130    HA   ASN  20           HA       ASN  20   5.754  -6.974  -4.428
  131    HB2  ASN  20           HB2      ASN  20   2.744  -7.065  -4.392
  132    HB3  ASN  20           HB3      ASN  20   3.621  -5.734  -5.117
  133   HD21  ASN  20          HD21      ASN  20   4.692  -9.082  -5.230
  134   HD22  ASN  20          HD22      ASN  20   4.462  -9.287  -6.930
  135    H    PHE  21           H        PHE  21   4.785  -4.491  -4.210
  136    HA   PHE  21           HA       PHE  21   4.866  -3.897  -1.327
  137    HB2  PHE  21           HB2      PHE  21   6.091  -1.817  -1.923
  138    HB3  PHE  21           HB3      PHE  21   6.976  -3.275  -2.330
  139    HD1  PHE  21           HD1      PHE  21   7.866  -3.529  -4.440
  140    HD2  PHE  21           HD2      PHE  21   4.782  -0.652  -3.865
  141    HE1  PHE  21           HE1      PHE  21   8.256  -2.669  -6.709
  142    HE2  PHE  21           HE2      PHE  21   5.165   0.205  -6.138
  143    HZ   PHE  21           HZ       PHE  21   6.903  -0.799  -7.561
  144    H    CYS  22           H        CYS  22   3.827  -1.952  -0.635
  145    HA   CYS  22           HA       CYS  22   1.714  -1.004  -2.456
  146    HB2  CYS  22           HB2      CYS  22   0.671  -2.294  -0.695
  147    HB3  CYS  22           HB3      CYS  22   1.596  -1.448   0.538
  148    H    LEU  23           H        LEU  23   2.217   0.960  -3.109
  149    HA   LEU  23           HA       LEU  23   4.056   2.611  -1.656
  150    HB2  LEU  23           HB2      LEU  23   2.655   2.817  -4.281
  151    HB3  LEU  23           HB3      LEU  23   3.430   4.233  -3.610
  152    HG   LEU  23           HG       LEU  23   4.778   1.615  -4.305
  153   HD11  LEU  23          HD11      LEU  23   5.856   3.830  -5.685
  154   HD12  LEU  23          HD12      LEU  23   4.101   3.921  -5.840
  155   HD13  LEU  23          HD13      LEU  23   4.957   2.465  -6.345
  156   HD21  LEU  23          HD21      LEU  23   5.801   4.106  -2.967
  157   HD22  LEU  23          HD22      LEU  23   6.870   3.124  -3.965
  158   HD23  LEU  23          HD23      LEU  23   6.094   2.417  -2.549
  159    H    ARG  24           H        ARG  24   2.185   2.305   0.046
  160    HA   ARG  24           HA       ARG  24   0.330   4.561   0.041
  161    HB2  ARG  24           HB2      ARG  24  -0.062   2.069   0.886
  162    HB3  ARG  24           HB3      ARG  24   0.652   2.686   2.362
  163    HG2  ARG  24           HG2      ARG  24  -1.694   4.067   1.090
  164    HG3  ARG  24           HG3      ARG  24  -1.916   2.659   2.123
  165    HD2  ARG  24           HD2      ARG  24  -2.151   4.382   3.633
  166    HD3  ARG  24           HD3      ARG  24  -0.443   3.995   3.810
  167    HE   ARG  24           HE       ARG  24  -0.498   5.944   1.903
  168   HH11  ARG  24          HH11      ARG  24  -1.694   5.745   5.199
  169   HH12  ARG  24          HH12      ARG  24  -1.518   7.443   5.488
  170   HH21  ARG  24          HH21      ARG  24  -0.287   8.168   2.301
  171   HH22  ARG  24          HH22      ARG  24  -0.722   8.813   3.850
  172    H    TYR  25           H        TYR  25   2.706   5.591  -0.101
  173    HA   TYR  25           HA       TYR  25   4.170   5.941   2.301
  174    HB2  TYR  25           HB2      TYR  25   4.255   7.002  -0.447
  175    HB3  TYR  25           HB3      TYR  25   4.925   8.063   0.787
  176    HD1  TYR  25           HD1      TYR  25   5.243   4.765  -0.828
  177    HD2  TYR  25           HD2      TYR  25   6.990   7.545   1.876
  178    HE1  TYR  25           HE1      TYR  25   7.337   3.473  -0.864
  179    HE2  TYR  25           HE2      TYR  25   9.087   6.262   1.849
  180    HH   TYR  25           HH       TYR  25   9.842   3.974   1.371
  181    H    ALA  26           H        ALA  26   4.565   8.050   3.359
  182    HA   ALA  26           HA       ALA  26   2.143   9.236   4.271
  183    HB1  ALA  26           HB1      ALA  26   4.980  10.104   4.763
  184    HB2  ALA  26           HB2      ALA  26   4.087   8.921   5.717
  185    HB3  ALA  26           HB3      ALA  26   3.561  10.603   5.682
  186    H    GLY  27           H        GLY  27   4.369  10.025   1.768
  187    HA2  GLY  27           HA2      GLY  27   3.182  12.706   1.446
  188    HA3  GLY  27           HA3      GLY  27   4.742  12.216   0.804
  189    H    GLN  28           H        GLN  28   2.124   9.984   0.542
  190    HA   GLN  28           HA       GLN  28   1.662  10.739  -2.265
  191    HB2  GLN  28           HB2      GLN  28   2.236   7.988  -1.163
  192    HB3  GLN  28           HB3      GLN  28   1.480   8.240  -2.729
  193    HG2  GLN  28           HG2      GLN  28   3.458   9.537  -3.438
  194    HG3  GLN  28           HG3      GLN  28   4.219   9.171  -1.890
  195   HE21  GLN  28          HE21      GLN  28   3.193   7.903  -4.958
  196   HE22  GLN  28          HE22      GLN  28   4.059   6.411  -4.861
  197    H    LYS  29           H        LYS  29  -0.358  10.144  -3.134
  198    HA   LYS  29           HA       LYS  29  -2.419   9.449  -1.146
  199    HB2  LYS  29           HB2      LYS  29  -2.507  11.530  -3.333
  200    HB3  LYS  29           HB3      LYS  29  -3.960  10.918  -2.558
  201    HG2  LYS  29           HG2      LYS  29  -3.587  12.813  -1.329
  202    HG3  LYS  29           HG3      LYS  29  -2.714  11.627  -0.358
  203    HD2  LYS  29           HD2      LYS  29  -0.617  12.284  -1.447
  204    HD3  LYS  29           HD3      LYS  29  -1.492  13.467  -2.420
  205    HE2  LYS  29           HE2      LYS  29  -0.532  14.682  -0.641
  206    HE3  LYS  29           HE3      LYS  29  -2.239  14.510  -0.239
  207    HZ1  LYS  29           HZ1      LYS  29  -0.030  12.846   0.849
  208    HZ2  LYS  29           HZ2      LYS  29  -1.667  12.680   1.236
  209    HZ3  LYS  29           HZ3      LYS  29  -0.834  14.084   1.678
  210    H    SER  30           H        SER  30  -0.818   8.204  -3.638
  211    HA   SER  30           HA       SER  30  -2.817   6.309  -4.330
  212    HB2  SER  30           HB2      SER  30  -2.832   6.778  -6.805
  213    HB3  SER  30           HB3      SER  30  -3.657   8.005  -5.846
  214    HG   SER  30           HG       SER  30  -1.403   8.205  -7.397
  215    H    GLY  31           H        GLY  31  -1.279   4.855  -3.649
  216    HA2  GLY  31           HA2      GLY  31   1.327   4.789  -4.947
  217    HA3  GLY  31           HA3      GLY  31   0.789   3.759  -3.633
  218    H    THR  32           H        THR  32   1.859   2.040  -5.006
  219    HA   THR  32           HA       THR  32  -0.168   0.775  -6.610
  220    HB   THR  32           HB       THR  32   0.781   2.117  -8.366
  221    HG1  THR  32           HG1      THR  32   1.172  -0.623  -8.343
  222   HG21  THR  32          HG21      THR  32   3.474   1.017  -7.541
  223   HG22  THR  32          HG22      THR  32   2.947   2.699  -7.477
  224   HG23  THR  32          HG23      THR  32   3.175   1.906  -9.035
  225    H    CYS  33           H        CYS  33  -0.219  -1.247  -6.009
  226    HA   CYS  33           HA       CYS  33   2.010  -2.544  -4.761
  227    HB2  CYS  33           HB2      CYS  33  -0.292  -3.102  -4.087
  228    HB3  CYS  33           HB3      CYS  33  -0.603  -3.781  -5.680
  229    H    ALA  34           H        ALA  34   3.653  -3.206  -5.799
  230    HA   ALA  34           HA       ALA  34   3.481  -4.661  -8.313
  231    HB1  ALA  34           HB1      ALA  34   3.717  -2.380  -9.056
  232    HB2  ALA  34           HB2      ALA  34   5.248  -3.220  -9.315
  233    HB3  ALA  34           HB3      ALA  34   5.063  -2.120  -7.948
  234    H    ASN  35           H        ASN  35   5.780  -5.469  -8.924
  235    HA   ASN  35           HA       ASN  35   6.919  -6.685  -6.556
  236    HB2  ASN  35           HB2      ASN  35   7.402  -7.034  -9.511
  237    HB3  ASN  35           HB3      ASN  35   8.437  -7.802  -8.313
  238   HD21  ASN  35          HD21      ASN  35   5.328  -7.774  -9.819
  239   HD22  ASN  35          HD22      ASN  35   4.750  -9.250  -9.131
  240    H    ARG  36           H        ARG  36   9.025  -6.546  -5.843
  241    HA   ARG  36           HA       ARG  36  10.404  -4.060  -6.559
  242    HB2  ARG  36           HB2      ARG  36   9.724  -4.919  -4.123
  243    HB3  ARG  36           HB3      ARG  36  11.277  -5.732  -4.251
  244    HG2  ARG  36           HG2      ARG  36  12.375  -3.591  -4.653
  245    HG3  ARG  36           HG3      ARG  36  10.817  -2.770  -4.547
  246    HD2  ARG  36           HD2      ARG  36  10.571  -3.555  -2.236
  247    HD3  ARG  36           HD3      ARG  36  12.139  -4.353  -2.346
  248    HE   ARG  36           HE       ARG  36  12.554  -1.693  -2.998
  249   HH11  ARG  36          HH11      ARG  36  11.472  -3.479  -0.174
  250   HH12  ARG  36          HH12      ARG  36  12.071  -2.298   0.944
  251   HH21  ARG  36          HH21      ARG  36  13.121  -0.423   0.183
  252   HH22  ARG  36          HH22      ARG  36  13.329  -0.162  -1.517
  Start of MODEL    8
    1    H    PCA   1           H3       PCA   1  -2.309 -14.522   1.430
    2    HA   PCA   1           HA       PCA   1  -4.225 -13.681  -0.695
    3    HB2  PCA   1           HB2      PCA   1  -2.806 -11.544   0.450
    4    HB3  PCA   1           HB3      PCA   1  -4.513 -11.962   0.728
    5    HG2  PCA   1           HG2      PCA   1  -2.203 -12.376   2.419
    6    HG3  PCA   1           HG3      PCA   1  -3.931 -12.428   2.816
    7    H    CYS   2           H        CYS   2  -2.934 -11.718  -1.850
    8    HA   CYS   2           HA       CYS   2  -0.164 -11.976  -2.257
    9    HB2  CYS   2           HB2      CYS   2  -1.769 -13.807  -3.822
   10    HB3  CYS   2           HB3      CYS   2  -0.843 -12.722  -4.856
   11    H    LYS   3           H        LYS   3   0.576 -10.877  -4.311
   12    HA   LYS   3           HA       LYS   3  -0.672  -8.289  -4.425
   13    HB2  LYS   3           HB2      LYS   3   1.426  -8.063  -6.118
   14    HB3  LYS   3           HB3      LYS   3   1.539  -7.824  -4.388
   15    HG2  LYS   3           HG2      LYS   3   3.358  -9.205  -5.031
   16    HG3  LYS   3           HG3      LYS   3   2.208 -10.240  -4.188
   17    HD2  LYS   3           HD2      LYS   3   1.392 -11.110  -6.289
   18    HD3  LYS   3           HD3      LYS   3   2.414  -9.985  -7.188
   19    HE2  LYS   3           HE2      LYS   3   4.408 -11.064  -6.259
   20    HE3  LYS   3           HE3      LYS   3   3.384 -12.186  -5.364
   21    HZ1  LYS   3           HZ1      LYS   3   4.215 -13.183  -7.397
   22    HZ2  LYS   3           HZ2      LYS   3   3.517 -11.951  -8.321
   23    HZ3  LYS   3           HZ3      LYS   3   2.532 -13.026  -7.465
   24    HA   PRO   4           HA       PRO   4  -2.306  -8.886  -8.568
   25    HB2  PRO   4           HB2      PRO   4  -3.232  -6.236  -8.750
   26    HB3  PRO   4           HB3      PRO   4  -4.105  -7.588  -8.010
   27    HG2  PRO   4           HG2      PRO   4  -3.171  -5.329  -6.663
   28    HG3  PRO   4           HG3      PRO   4  -3.698  -6.845  -5.918
   29    HD2  PRO   4           HD2      PRO   4  -0.919  -5.930  -6.571
   30    HD3  PRO   4           HD3      PRO   4  -1.517  -6.794  -5.137
   31    H    ASN   5           H        ASN   5   0.191  -6.679  -7.821
   32    HA   ASN   5           HA       ASN   5   1.599  -5.302  -8.926
   33    HB2  ASN   5           HB2      ASN   5   2.180  -6.659 -11.321
   34    HB3  ASN   5           HB3      ASN   5   3.086  -6.697  -9.818
   35   HD21  ASN   5          HD21      ASN   5   2.881  -8.454  -8.451
   36   HD22  ASN   5          HD22      ASN   5   2.173  -9.945  -8.960
   37    H    GLY   6           H        GLY   6   0.623  -3.496  -9.406
   38    HA2  GLY   6           HA2      GLY   6   0.392  -1.980 -11.338
   39    HA3  GLY   6           HA3      GLY   6  -0.591  -3.229 -12.085
   40    H    ALA   7           H        ALA   7  -1.049  -2.847  -8.709
   41    HA   ALA   7           HA       ALA   7  -3.673  -1.625  -9.188
   42    HB1  ALA   7           HB1      ALA   7  -3.770  -3.702  -8.012
   43    HB2  ALA   7           HB2      ALA   7  -4.175  -2.418  -6.874
   44    HB3  ALA   7           HB3      ALA   7  -2.573  -3.156  -6.837
   45    H    LYS   8           H        LYS   8  -4.436  -0.250  -7.155
   46    HA   LYS   8           HA       LYS   8  -2.322   1.731  -6.643
   47    HB2  LYS   8           HB2      LYS   8  -5.107   1.953  -7.483
   48    HB3  LYS   8           HB3      LYS   8  -4.704   3.013  -6.140
   49    HG2  LYS   8           HG2      LYS   8  -3.265   4.272  -7.380
   50    HG3  LYS   8           HG3      LYS   8  -2.855   2.937  -8.462
   51    HD2  LYS   8           HD2      LYS   8  -4.989   3.112  -9.566
   52    HD3  LYS   8           HD3      LYS   8  -5.522   4.340  -8.419
   53    HE2  LYS   8           HE2      LYS   8  -3.123   4.697 -10.202
   54    HE3  LYS   8           HE3      LYS   8  -4.750   5.174 -10.685
   55    HZ1  LYS   8           HZ1      LYS   8  -4.841   6.658  -8.777
   56    HZ2  LYS   8           HZ2      LYS   8  -3.521   7.036  -9.765
   57    HZ3  LYS   8           HZ3      LYS   8  -3.279   6.198  -8.314
   58    H    CYS   9           H        CYS   9  -2.135   2.729  -4.699
   59    HA   CYS   9           HA       CYS   9  -3.467   1.479  -2.362
   60    HB2  CYS   9           HB2      CYS   9  -0.650   2.534  -2.714
   61    HB3  CYS   9           HB3      CYS   9  -1.345   2.172  -1.144
   62    H    THR  10           H        THR  10  -3.976   2.879  -0.626
   63    HA   THR  10           HA       THR  10  -3.603   5.744  -0.960
   64    HB   THR  10           HB       THR  10  -6.118   6.074  -0.418
   65    HG1  THR  10           HG1      THR  10  -5.993   3.388  -0.981
   66   HG21  THR  10          HG21      THR  10  -5.065   6.822  -2.488
   67   HG22  THR  10          HG22      THR  10  -6.670   6.167  -2.808
   68   HG23  THR  10          HG23      THR  10  -5.237   5.206  -3.173
   69    H    GLU  11           H        GLU  11  -4.439   6.969   0.942
   70    HA   GLU  11           HA       GLU  11  -3.345   6.062   3.330
   71    HB2  GLU  11           HB2      GLU  11  -5.544   8.115   3.147
   72    HB3  GLU  11           HB3      GLU  11  -4.300   7.991   4.381
   73    HG2  GLU  11           HG2      GLU  11  -2.619   8.436   2.568
   74    HG3  GLU  11           HG3      GLU  11  -3.980   8.808   1.512
   75    H    ILE  12           H        ILE  12  -6.417   5.370   2.017
   76    HA   ILE  12           HA       ILE  12  -7.291   4.187   4.569
   77    HB   ILE  12           HB       ILE  12  -9.569   4.400   2.947
   78   HG12  ILE  12          HG12      ILE  12  -9.644   6.990   2.815
   79   HG13  ILE  12          HG13      ILE  12  -7.888   6.900   2.842
   80   HG21  ILE  12          HG21      ILE  12  -9.530   4.465   5.359
   81   HG22  ILE  12          HG22      ILE  12 -10.349   5.895   4.730
   82   HG23  ILE  12          HG23      ILE  12  -8.696   6.018   5.330
   83   HD11  ILE  12          HD11      ILE  12  -8.636   7.082   0.576
   84   HD12  ILE  12          HD12      ILE  12  -9.728   5.712   0.779
   85   HD13  ILE  12          HD13      ILE  12  -7.983   5.463   0.828
   86    H    SER  13           H        SER  13  -6.312   3.397   1.398
   87    HA   SER  13           HA       SER  13  -7.463   0.729   1.747
   88    HB2  SER  13           HB2      SER  13  -7.507   2.266  -0.855
   89    HB3  SER  13           HB3      SER  13  -7.977   0.577  -0.667
   90    HG   SER  13           HG       SER  13  -9.382   1.750   1.113
   91    H    ILE  14           H        ILE  14  -6.320  -0.981   1.011
   92    HA   ILE  14           HA       ILE  14  -3.845  -0.632  -0.432
   93    HB   ILE  14           HB       ILE  14  -2.473  -1.911   1.229
   94   HG12  ILE  14          HG12      ILE  14  -3.415  -1.381   3.701
   95   HG13  ILE  14          HG13      ILE  14  -4.940  -1.655   2.864
   96   HG21  ILE  14          HG21      ILE  14  -3.438   0.780   2.141
   97   HG22  ILE  14          HG22      ILE  14  -2.173   0.464   0.953
   98   HG23  ILE  14          HG23      ILE  14  -1.935   0.002   2.639
   99   HD11  ILE  14          HD11      ILE  14  -2.619  -3.569   2.979
  100   HD12  ILE  14          HD12      ILE  14  -4.142  -3.845   2.135
  101   HD13  ILE  14          HD13      ILE  14  -4.123  -3.696   3.893
  102    HA   PRO  15           HA       PRO  15  -5.154  -4.688  -1.851
  103    HB2  PRO  15           HB2      PRO  15  -2.939  -5.350  -3.289
  104    HB3  PRO  15           HB3      PRO  15  -4.095  -4.126  -3.842
  105    HG2  PRO  15           HG2      PRO  15  -1.456  -3.761  -2.515
  106    HG3  PRO  15           HG3      PRO  15  -2.173  -2.876  -3.878
  107    HD2  PRO  15           HD2      PRO  15  -2.154  -1.921  -1.342
  108    HD3  PRO  15           HD3      PRO  15  -3.413  -1.523  -2.526
  109    HA   PRO  16           HA       PRO  16  -3.170  -7.713   0.810
  110    HB2  PRO  16           HB2      PRO  16  -2.781  -9.841  -1.134
  111    HB3  PRO  16           HB3      PRO  16  -4.045  -9.690   0.101
  112    HG2  PRO  16           HG2      PRO  16  -4.560  -9.546  -2.550
  113    HG3  PRO  16           HG3      PRO  16  -5.518  -8.689  -1.323
  114    HD2  PRO  16           HD2      PRO  16  -3.314  -7.637  -3.063
  115    HD3  PRO  16           HD3      PRO  16  -4.894  -6.910  -2.685
  116    H    CYS  17           H        CYS  17  -1.493  -8.197  -2.317
  117    HA   CYS  17           HA       CYS  17   0.650  -8.535  -2.894
  118    HB2  CYS  17           HB2      CYS  17   1.376  -6.453  -0.844
  119    HB3  CYS  17           HB3      CYS  17   2.165  -6.783  -2.382
  120    H    CYS  18           H        CYS  18   1.547 -10.392  -2.569
  121    HA   CYS  18           HA       CYS  18   2.288 -11.259   0.105
  122    HB2  CYS  18           HB2      CYS  18   2.902 -13.411  -1.139
  123    HB3  CYS  18           HB3      CYS  18   1.201 -12.987  -1.053
  124    H    SER  19           H        SER  19   3.781 -10.132  -2.822
  125    HA   SER  19           HA       SER  19   6.423 -10.357  -1.545
  126    HB2  SER  19           HB2      SER  19   5.887 -11.107  -4.424
  127    HB3  SER  19           HB3      SER  19   7.469 -11.069  -3.645
  128    HG   SER  19           HG       SER  19   6.859 -13.145  -3.463
  129    H    ASN  20           H        ASN  20   4.278  -8.654  -3.638
  130    HA   ASN  20           HA       ASN  20   6.224  -6.775  -4.626
  131    HB2  ASN  20           HB2      ASN  20   3.222  -6.927  -4.805
  132    HB3  ASN  20           HB3      ASN  20   4.127  -5.580  -5.462
  133   HD21  ASN  20          HD21      ASN  20   5.348  -8.872  -5.528
  134   HD22  ASN  20          HD22      ASN  20   5.204  -9.087  -7.236
  135    H    PHE  21           H        PHE  21   5.106  -4.300  -4.431
  136    HA   PHE  21           HA       PHE  21   5.059  -3.779  -1.531
  137    HB2  PHE  21           HB2      PHE  21   6.212  -1.640  -1.988
  138    HB3  PHE  21           HB3      PHE  21   7.175  -3.024  -2.469
  139    HD1  PHE  21           HD1      PHE  21   8.067  -3.144  -4.612
  140    HD2  PHE  21           HD2      PHE  21   4.938  -0.361  -3.839
  141    HE1  PHE  21           HE1      PHE  21   8.443  -2.117  -6.812
  142    HE2  PHE  21           HE2      PHE  21   5.308   0.665  -6.043
  143    HZ   PHE  21           HZ       PHE  21   7.063  -0.212  -7.531
  144    H    CYS  22           H        CYS  22   3.883  -1.968  -0.794
  145    HA   CYS  22           HA       CYS  22   1.809  -0.998  -2.649
  146    HB2  CYS  22           HB2      CYS  22   0.750  -2.436  -1.009
  147    HB3  CYS  22           HB3      CYS  22   1.586  -1.625   0.309
  148    H    LEU  23           H        LEU  23   2.301   0.994  -3.170
  149    HA   LEU  23           HA       LEU  23   4.030   2.619  -1.584
  150    HB2  LEU  23           HB2      LEU  23   2.739   2.821  -4.244
  151    HB3  LEU  23           HB3      LEU  23   3.285   4.308  -3.502
  152    HG   LEU  23           HG       LEU  23   5.025   1.901  -4.091
  153   HD11  LEU  23          HD11      LEU  23   4.603   4.504  -5.527
  154   HD12  LEU  23          HD12      LEU  23   4.452   2.862  -6.153
  155   HD13  LEU  23          HD13      LEU  23   6.041   3.511  -5.757
  156   HD21  LEU  23          HD21      LEU  23   6.120   2.957  -2.321
  157   HD22  LEU  23          HD22      LEU  23   5.583   4.562  -2.813
  158   HD23  LEU  23          HD23      LEU  23   6.841   3.735  -3.729
  159    H    ARG  24           H        ARG  24   2.237   2.259   0.138
  160    HA   ARG  24           HA       ARG  24   0.285   4.438   0.163
  161    HB2  ARG  24           HB2      ARG  24  -0.039   1.909   0.926
  162    HB3  ARG  24           HB3      ARG  24   0.637   2.506   2.430
  163    HG2  ARG  24           HG2      ARG  24  -1.726   3.858   1.164
  164    HG3  ARG  24           HG3      ARG  24  -1.927   2.409   2.143
  165    HD2  ARG  24           HD2      ARG  24  -2.242   4.083   3.699
  166    HD3  ARG  24           HD3      ARG  24  -0.533   3.718   3.909
  167    HE   ARG  24           HE       ARG  24  -0.613   5.736   2.051
  168   HH11  ARG  24          HH11      ARG  24  -1.727   5.379   5.363
  169   HH12  ARG  24          HH12      ARG  24  -1.550   7.064   5.725
  170   HH21  ARG  24          HH21      ARG  24  -0.393   7.938   2.547
  171   HH22  ARG  24          HH22      ARG  24  -0.796   8.509   4.133
  172    H    TYR  25           H        TYR  25   2.612   5.566   0.083
  173    HA   TYR  25           HA       TYR  25   3.973   5.893   2.572
  174    HB2  TYR  25           HB2      TYR  25   4.235   6.926  -0.177
  175    HB3  TYR  25           HB3      TYR  25   4.823   8.000   1.088
  176    HD1  TYR  25           HD1      TYR  25   6.791   7.466   2.354
  177    HD2  TYR  25           HD2      TYR  25   5.269   4.716  -0.512
  178    HE1  TYR  25           HE1      TYR  25   8.887   6.185   2.478
  179    HE2  TYR  25           HE2      TYR  25   7.360   3.427  -0.397
  180    HH   TYR  25           HH       TYR  25   9.711   3.784   0.228
  181    H    ALA  26           H        ALA  26   4.290   8.014   3.630
  182    HA   ALA  26           HA       ALA  26   1.811   9.192   4.378
  183    HB1  ALA  26           HB1      ALA  26   3.665   8.905   5.940
  184    HB2  ALA  26           HB2      ALA  26   3.131  10.583   5.856
  185    HB3  ALA  26           HB3      ALA  26   4.607  10.085   5.029
  186    H    GLY  27           H        GLY  27   4.170   9.975   2.001
  187    HA2  GLY  27           HA2      GLY  27   3.169  12.711   1.664
  188    HA3  GLY  27           HA3      GLY  27   4.589  12.028   0.887
  189    H    GLN  28           H        GLN  28   2.715   9.588   0.365
  190    HA   GLN  28           HA       GLN  28   1.704  10.601  -2.191
  191    HB2  GLN  28           HB2      GLN  28   2.325   7.823  -1.193
  192    HB3  GLN  28           HB3      GLN  28   1.441   8.105  -2.684
  193    HG2  GLN  28           HG2      GLN  28   4.131   9.344  -2.223
  194    HG3  GLN  28           HG3      GLN  28   3.972   7.692  -2.815
  195   HE21  GLN  28          HE21      GLN  28   3.493  11.057  -3.531
  196   HE22  GLN  28          HE22      GLN  28   3.239  10.871  -5.229
  197    H    LYS  29           H        LYS  29  -0.371  10.085  -2.941
  198    HA   LYS  29           HA       LYS  29  -2.323   9.345  -0.860
  199    HB2  LYS  29           HB2      LYS  29  -2.492  11.490  -2.975
  200    HB3  LYS  29           HB3      LYS  29  -3.920  10.861  -2.167
  201    HG2  LYS  29           HG2      LYS  29  -3.031  11.583  -0.013
  202    HG3  LYS  29           HG3      LYS  29  -1.585  12.200  -0.814
  203    HD2  LYS  29           HD2      LYS  29  -2.968  13.767  -2.095
  204    HD3  LYS  29           HD3      LYS  29  -4.410  13.152  -1.285
  205    HE2  LYS  29           HE2      LYS  29  -3.512  13.888   0.868
  206    HE3  LYS  29           HE3      LYS  29  -2.067  14.495   0.061
  207    HZ1  LYS  29           HZ1      LYS  29  -3.452  16.053  -1.164
  208    HZ2  LYS  29           HZ2      LYS  29  -3.641  16.270   0.503
  209    HZ3  LYS  29           HZ3      LYS  29  -4.838  15.471  -0.387
  210    H    SER  30           H        SER  30  -0.869   8.207  -3.501
  211    HA   SER  30           HA       SER  30  -2.897   6.319  -4.147
  212    HB2  SER  30           HB2      SER  30  -2.194   8.384  -6.263
  213    HB3  SER  30           HB3      SER  30  -3.018   6.863  -6.602
  214    HG   SER  30           HG       SER  30  -3.936   9.018  -5.006
  215    H    GLY  31           H        GLY  31  -1.227   4.944  -3.476
  216    HA2  GLY  31           HA2      GLY  31   1.280   4.910  -4.947
  217    HA3  GLY  31           HA3      GLY  31   0.845   3.873  -3.599
  218    H    THR  32           H        THR  32   1.863   2.174  -5.009
  219    HA   THR  32           HA       THR  32  -0.211   0.851  -6.507
  220    HB   THR  32           HB       THR  32   0.628   2.212  -8.309
  221    HG1  THR  32           HG1      THR  32   1.289  -0.524  -8.335
  222   HG21  THR  32          HG21      THR  32   3.353   1.260  -7.446
  223   HG22  THR  32          HG22      THR  32   2.786   2.913  -7.685
  224   HG23  THR  32          HG23      THR  32   3.054   1.865  -9.075
  225    H    CYS  33           H        CYS  33  -0.157  -1.219  -6.097
  226    HA   CYS  33           HA       CYS  33   2.121  -2.463  -4.876
  227    HB2  CYS  33           HB2      CYS  33  -0.184  -3.143  -4.271
  228    HB3  CYS  33           HB3      CYS  33  -0.399  -3.813  -5.881
  229    H    ALA  34           H        ALA  34   3.793  -2.892  -5.963
  230    HA   ALA  34           HA       ALA  34   3.706  -4.173  -8.590
  231    HB1  ALA  34           HB1      ALA  34   5.332  -1.723  -7.914
  232    HB2  ALA  34           HB2      ALA  34   3.947  -1.781  -9.002
  233    HB3  ALA  34           HB3      ALA  34   5.433  -2.636  -9.419
  234    H    ASN  35           H        ASN  35   5.791  -5.146  -9.164
  235    HA   ASN  35           HA       ASN  35   7.075  -6.247  -6.783
  236    HB2  ASN  35           HB2      ASN  35   8.078  -7.898  -8.487
  237    HB3  ASN  35           HB3      ASN  35   6.362  -8.022  -8.131
  238   HD21  ASN  35          HD21      ASN  35   4.995  -8.054  -9.785
  239   HD22  ASN  35          HD22      ASN  35   5.380  -7.639 -11.417
  240    H    ARG  36           H        ARG  36   9.154  -6.046  -6.277
  241    HA   ARG  36           HA       ARG  36  10.741  -4.152  -7.854
  242    HB2  ARG  36           HB2      ARG  36  10.219  -4.065  -5.244
  243    HB3  ARG  36           HB3      ARG  36  11.626  -5.117  -5.172
  244    HG2  ARG  36           HG2      ARG  36  12.956  -3.423  -6.326
  245    HG3  ARG  36           HG3      ARG  36  11.542  -2.370  -6.406
  246    HD2  ARG  36           HD2      ARG  36  11.444  -2.327  -3.958
  247    HD3  ARG  36           HD3      ARG  36  12.864  -3.371  -3.885
  248    HE   ARG  36           HE       ARG  36  13.557  -1.150  -5.402
  249   HH11  ARG  36          HH11      ARG  36  12.619  -1.795  -2.079
  250   HH12  ARG  36          HH12      ARG  36  13.510  -0.452  -1.447
  251   HH21  ARG  36          HH21      ARG  36  14.697   0.903  -2.845
  252   HH22  ARG  36          HH22      ARG  36  14.718   0.601  -4.551
  Start of MODEL    9
    1    H    PCA   1           H3       PCA   1   2.427 -14.823  -4.212
    2    HA   PCA   1           HA       PCA   1   0.343 -15.581  -5.160
    3    HB2  PCA   1           HB2      PCA   1  -0.240 -16.252  -2.431
    4    HB3  PCA   1           HB3      PCA   1   0.585 -17.231  -3.665
    5    HG2  PCA   1           HG2      PCA   1   1.718 -15.779  -1.472
    6    HG3  PCA   1           HG3      PCA   1   2.511 -16.867  -2.625
    7    H    CYS   2           H        CYS   2   0.029 -12.875  -3.102
    8    HA   CYS   2           HA       CYS   2  -2.889 -12.888  -3.479
    9    HB2  CYS   2           HB2      CYS   2  -3.210 -11.882  -1.295
   10    HB3  CYS   2           HB3      CYS   2  -2.329 -13.394  -1.127
   11    H    LYS   3           H        LYS   3  -0.040 -11.326  -4.184
   12    HA   LYS   3           HA       LYS   3  -0.881  -8.600  -4.023
   13    HB2  LYS   3           HB2      LYS   3   1.141  -8.086  -5.352
   14    HB3  LYS   3           HB3      LYS   3   1.508  -9.098  -3.966
   15    HG2  LYS   3           HG2      LYS   3   0.965 -10.484  -6.514
   16    HG3  LYS   3           HG3      LYS   3   2.465  -9.564  -6.401
   17    HD2  LYS   3           HD2      LYS   3   3.082 -10.811  -4.387
   18    HD3  LYS   3           HD3      LYS   3   1.576 -11.722  -4.483
   19    HE2  LYS   3           HE2      LYS   3   3.225 -13.124  -5.415
   20    HE3  LYS   3           HE3      LYS   3   2.331 -12.467  -6.784
   21    HZ1  LYS   3           HZ1      LYS   3   4.096 -10.846  -7.110
   22    HZ2  LYS   3           HZ2      LYS   3   4.711 -12.420  -7.180
   23    HZ3  LYS   3           HZ3      LYS   3   4.953 -11.478  -5.795
   24    HA   PRO   4           HA       PRO   4  -2.968  -8.588  -8.009
   25    HB2  PRO   4           HB2      PRO   4  -3.528  -5.839  -7.975
   26    HB3  PRO   4           HB3      PRO   4  -4.517  -7.108  -7.238
   27    HG2  PRO   4           HG2      PRO   4  -3.151  -5.080  -5.872
   28    HG3  PRO   4           HG3      PRO   4  -3.887  -6.522  -5.159
   29    HD2  PRO   4           HD2      PRO   4  -1.033  -6.014  -5.874
   30    HD3  PRO   4           HD3      PRO   4  -1.718  -6.934  -4.516
   31    H    ASN   5           H        ASN   5  -0.197  -6.636  -7.405
   32    HA   ASN   5           HA       ASN   5   1.224  -5.362  -8.628
   33    HB2  ASN   5           HB2      ASN   5   1.505  -6.795 -11.044
   34    HB3  ASN   5           HB3      ASN   5   2.546  -6.843  -9.632
   35   HD21  ASN   5          HD21      ASN   5   2.504  -8.589  -8.305
   36   HD22  ASN   5          HD22      ASN   5   1.624 -10.035  -8.654
   37    H    GLY   6           H        GLY   6   0.406  -3.483  -9.109
   38    HA2  GLY   6           HA2      GLY   6   0.116  -1.970 -11.008
   39    HA3  GLY   6           HA3      GLY   6  -0.955  -3.173 -11.711
   40    H    ALA   7           H        ALA   7  -1.311  -2.847  -8.339
   41    HA   ALA   7           HA       ALA   7  -3.858  -1.437  -8.713
   42    HB1  ALA   7           HB1      ALA   7  -2.869  -2.903  -6.273
   43    HB2  ALA   7           HB2      ALA   7  -3.848  -3.627  -7.548
   44    HB3  ALA   7           HB3      ALA   7  -4.505  -2.317  -6.570
   45    H    LYS   8           H        LYS   8  -4.474   0.307  -7.317
   46    HA   LYS   8           HA       LYS   8  -2.196   1.947  -6.533
   47    HB2  LYS   8           HB2      LYS   8  -4.853   2.433  -7.559
   48    HB3  LYS   8           HB3      LYS   8  -4.537   3.410  -6.131
   49    HG2  LYS   8           HG2      LYS   8  -2.781   4.539  -7.134
   50    HG3  LYS   8           HG3      LYS   8  -2.542   3.285  -8.353
   51    HD2  LYS   8           HD2      LYS   8  -4.611   3.893  -9.441
   52    HD3  LYS   8           HD3      LYS   8  -4.964   5.071  -8.176
   53    HE2  LYS   8           HE2      LYS   8  -2.970   6.345  -8.813
   54    HE3  LYS   8           HE3      LYS   8  -2.624   5.167 -10.079
   55    HZ1  LYS   8           HZ1      LYS   8  -4.716   5.751 -11.142
   56    HZ2  LYS   8           HZ2      LYS   8  -3.732   7.115 -10.970
   57    HZ3  LYS   8           HZ3      LYS   8  -5.043   6.883  -9.928
   58    H    CYS   9           H        CYS   9  -1.713   2.583  -4.566
   59    HA   CYS   9           HA       CYS   9  -3.303   1.592  -2.290
   60    HB2  CYS   9           HB2      CYS   9  -0.398   2.374  -2.593
   61    HB3  CYS   9           HB3      CYS   9  -1.147   2.161  -1.018
   62    H    THR  10           H        THR  10  -3.900   3.013  -0.631
   63    HA   THR  10           HA       THR  10  -3.248   5.842  -0.876
   64    HB   THR  10           HB       THR  10  -5.764   6.383  -0.567
   65    HG1  THR  10           HG1      THR  10  -5.801   3.694  -1.355
   66   HG21  THR  10          HG21      THR  10  -4.717   5.422  -3.235
   67   HG22  THR  10          HG22      THR  10  -4.468   7.022  -2.538
   68   HG23  THR  10          HG23      THR  10  -6.089   6.505  -2.999
   69    H    GLU  11           H        GLU  11  -4.261   7.122   0.950
   70    HA   GLU  11           HA       GLU  11  -3.427   6.152   3.426
   71    HB2  GLU  11           HB2      GLU  11  -5.487   8.322   3.053
   72    HB3  GLU  11           HB3      GLU  11  -4.370   8.127   4.396
   73    HG2  GLU  11           HG2      GLU  11  -2.514   8.462   2.712
   74    HG3  GLU  11           HG3      GLU  11  -3.769   8.968   1.584
   75    H    ILE  12           H        ILE  12  -6.364   5.574   1.808
   76    HA   ILE  12           HA       ILE  12  -7.562   4.481   4.267
   77    HB   ILE  12           HB       ILE  12  -9.633   4.727   2.403
   78   HG12  ILE  12          HG12      ILE  12  -9.606   7.310   2.183
   79   HG13  ILE  12          HG13      ILE  12  -7.868   7.171   2.416
   80   HG21  ILE  12          HG21      ILE  12  -8.968   6.392   4.821
   81   HG22  ILE  12          HG22      ILE  12  -9.857   4.868   4.801
   82   HG23  ILE  12          HG23      ILE  12 -10.550   6.303   4.046
   83   HD11  ILE  12          HD11      ILE  12  -8.381   7.306   0.069
   84   HD12  ILE  12          HD12      ILE  12  -9.482   5.934   0.198
   85   HD13  ILE  12          HD13      ILE  12  -7.751   5.703   0.445
   86    H    SER  13           H        SER  13  -6.326   3.629   1.194
   87    HA   SER  13           HA       SER  13  -7.543   0.986   1.483
   88    HB2  SER  13           HB2      SER  13  -7.396   2.497  -1.129
   89    HB3  SER  13           HB3      SER  13  -7.907   0.817  -0.958
   90    HG   SER  13           HG       SER  13  -9.258   3.153  -0.368
   91    H    ILE  14           H        ILE  14  -6.393  -0.745   0.928
   92    HA   ILE  14           HA       ILE  14  -3.857  -0.555  -0.445
   93    HB   ILE  14           HB       ILE  14  -2.556  -1.713   1.340
   94   HG12  ILE  14          HG12      ILE  14  -3.616  -1.072   3.749
   95   HG13  ILE  14          HG13      ILE  14  -5.090  -1.428   2.852
   96   HG21  ILE  14          HG21      ILE  14  -2.228   0.644   0.999
   97   HG22  ILE  14          HG22      ILE  14  -2.100   0.256   2.715
   98   HG23  ILE  14          HG23      ILE  14  -3.565   1.014   2.089
   99   HD11  ILE  14          HD11      ILE  14  -4.269  -3.394   4.019
  100   HD12  ILE  14          HD12      ILE  14  -2.731  -3.271   3.166
  101   HD13  ILE  14          HD13      ILE  14  -4.208  -3.628   2.272
  102    HA   PRO  15           HA       PRO  15  -5.312  -4.701  -1.454
  103    HB2  PRO  15           HB2      PRO  15  -3.287  -5.522  -3.030
  104    HB3  PRO  15           HB3      PRO  15  -4.383  -4.229  -3.547
  105    HG2  PRO  15           HG2      PRO  15  -1.641  -4.034  -2.401
  106    HG3  PRO  15           HG3      PRO  15  -2.359  -3.168  -3.777
  107    HD2  PRO  15           HD2      PRO  15  -2.145  -2.093  -1.271
  108    HD3  PRO  15           HD3      PRO  15  -3.395  -1.624  -2.440
  109    HA   PRO  16           HA       PRO  16  -3.160  -7.562   1.265
  110    HB2  PRO  16           HB2      PRO  16  -2.695  -9.772  -0.553
  111    HB3  PRO  16           HB3      PRO  16  -3.962  -9.606   0.673
  112    HG2  PRO  16           HG2      PRO  16  -4.464  -9.625  -1.995
  113    HG3  PRO  16           HG3      PRO  16  -5.482  -8.787  -0.809
  114    HD2  PRO  16           HD2      PRO  16  -3.386  -7.672  -2.618
  115    HD3  PRO  16           HD3      PRO  16  -4.989  -7.018  -2.212
  116    H    CYS  17           H        CYS  17  -1.503  -7.977  -1.875
  117    HA   CYS  17           HA       CYS  17   0.650  -8.346  -2.463
  118    HB2  CYS  17           HB2      CYS  17   1.413  -6.274  -0.425
  119    HB3  CYS  17           HB3      CYS  17   2.165  -6.605  -1.981
  120    H    CYS  18           H        CYS  18   1.340 -10.324  -1.987
  121    HA   CYS  18           HA       CYS  18   2.189 -10.997   0.714
  122    HB2  CYS  18           HB2      CYS  18   1.764 -12.602  -1.789
  123    HB3  CYS  18           HB3      CYS  18   2.607 -13.284  -0.403
  124    H    SER  19           H        SER  19   3.545 -10.397  -2.429
  125    HA   SER  19           HA       SER  19   6.243 -10.563  -1.269
  126    HB2  SER  19           HB2      SER  19   5.486 -11.459  -4.059
  127    HB3  SER  19           HB3      SER  19   7.117 -11.445  -3.390
  128    HG   SER  19           HG       SER  19   5.608 -13.456  -3.318
  129    H    ASN  20           H        ASN  20   3.958  -8.867  -3.136
  130    HA   ASN  20           HA       ASN  20   5.850  -7.062  -4.375
  131    HB2  ASN  20           HB2      ASN  20   2.848  -7.261  -4.343
  132    HB3  ASN  20           HB3      ASN  20   3.667  -5.881  -5.054
  133   HD21  ASN  20          HD21      ASN  20   4.938  -9.156  -5.187
  134   HD22  ASN  20          HD22      ASN  20   4.715  -9.372  -6.887
  135    H    PHE  21           H        PHE  21   4.851  -4.593  -4.158
  136    HA   PHE  21           HA       PHE  21   4.912  -4.014  -1.271
  137    HB2  PHE  21           HB2      PHE  21   6.096  -1.901  -1.868
  138    HB3  PHE  21           HB3      PHE  21   7.015  -3.349  -2.237
  139    HD1  PHE  21           HD1      PHE  21   4.804  -0.790  -3.834
  140    HD2  PHE  21           HD2      PHE  21   7.937  -3.625  -4.334
  141    HE1  PHE  21           HE1      PHE  21   5.222   0.070  -6.104
  142    HE2  PHE  21           HE2      PHE  21   8.355  -2.777  -6.603
  143    HZ   PHE  21           HZ       PHE  21   6.998  -0.924  -7.490
  144    H    CYS  22           H        CYS  22   3.826  -2.140  -0.545
  145    HA   CYS  22           HA       CYS  22   1.749  -1.132  -2.373
  146    HB2  CYS  22           HB2      CYS  22   0.704  -2.514  -0.660
  147    HB3  CYS  22           HB3      CYS  22   1.559  -1.646   0.609
  148    H    LEU  23           H        LEU  23   2.422   0.799  -2.985
  149    HA   LEU  23           HA       LEU  23   4.160   2.410  -1.381
  150    HB2  LEU  23           HB2      LEU  23   2.946   2.673  -4.094
  151    HB3  LEU  23           HB3      LEU  23   3.722   4.055  -3.356
  152    HG   LEU  23           HG       LEU  23   5.024   1.398  -3.979
  153   HD11  LEU  23          HD11      LEU  23   4.611   2.622  -5.980
  154   HD12  LEU  23          HD12      LEU  23   6.323   2.781  -5.591
  155   HD13  LEU  23          HD13      LEU  23   5.216   4.114  -5.261
  156   HD21  LEU  23          HD21      LEU  23   6.271   2.127  -2.162
  157   HD22  LEU  23          HD22      LEU  23   6.000   3.831  -2.525
  158   HD23  LEU  23          HD23      LEU  23   7.127   2.891  -3.502
  159    H    ARG  24           H        ARG  24   2.109   2.115   0.159
  160    HA   ARG  24           HA       ARG  24   0.213   4.293  -0.002
  161    HB2  ARG  24           HB2      ARG  24  -0.103   1.916   1.044
  162    HB3  ARG  24           HB3      ARG  24   0.691   2.603   2.447
  163    HG2  ARG  24           HG2      ARG  24  -1.743   3.913   1.264
  164    HG3  ARG  24           HG3      ARG  24  -1.893   2.544   2.362
  165    HD2  ARG  24           HD2      ARG  24  -0.290   3.979   3.876
  166    HD3  ARG  24           HD3      ARG  24  -0.908   5.312   2.904
  167    HE   ARG  24           HE       ARG  24  -3.178   4.486   3.626
  168   HH11  ARG  24          HH11      ARG  24  -0.338   4.010   5.641
  169   HH12  ARG  24          HH12      ARG  24  -1.249   3.953   7.112
  170   HH21  ARG  24          HH21      ARG  24  -4.350   4.397   5.572
  171   HH22  ARG  24          HH22      ARG  24  -3.514   4.171   7.073
  172    H    TYR  25           H        TYR  25   2.068   5.797  -0.237
  173    HA   TYR  25           HA       TYR  25   3.637   6.441   2.092
  174    HB2  TYR  25           HB2      TYR  25   3.799   6.938  -0.695
  175    HB3  TYR  25           HB3      TYR  25   3.754   8.502   0.114
  176    HD1  TYR  25           HD1      TYR  25   5.555   9.189   1.597
  177    HD2  TYR  25           HD2      TYR  25   5.659   5.413  -0.361
  178    HE1  TYR  25           HE1      TYR  25   7.940   8.974   2.152
  179    HE2  TYR  25           HE2      TYR  25   8.046   5.187   0.189
  180    HH   TYR  25           HH       TYR  25   9.614   7.194   2.429
  181    H    ALA  26           H        ALA  26   3.674   8.585   3.067
  182    HA   ALA  26           HA       ALA  26   1.006   9.578   3.590
  183    HB1  ALA  26           HB1      ALA  26   2.039  10.884   5.351
  184    HB2  ALA  26           HB2      ALA  26   3.641  10.434   4.762
  185    HB3  ALA  26           HB3      ALA  26   2.567   9.203   5.429
  186    H    GLY  27           H        GLY  27   3.697  10.478   1.659
  187    HA2  GLY  27           HA2      GLY  27   2.680  13.217   1.300
  188    HA3  GLY  27           HA3      GLY  27   4.281  12.660   0.848
  189    H    GLN  28           H        GLN  28   2.542  10.189  -0.191
  190    HA   GLN  28           HA       GLN  28   2.273  11.284  -2.885
  191    HB2  GLN  28           HB2      GLN  28   2.481   8.472  -1.840
  192    HB3  GLN  28           HB3      GLN  28   2.010   8.812  -3.499
  193    HG2  GLN  28           HG2      GLN  28   4.147  10.036  -3.803
  194    HG3  GLN  28           HG3      GLN  28   4.618   9.540  -2.179
  195   HE21  GLN  28          HE21      GLN  28   5.149   7.397  -1.790
  196   HE22  GLN  28          HE22      GLN  28   5.476   6.278  -3.064
  197    H    LYS  29           H        LYS  29   0.474   9.332  -0.574
  198    HA   LYS  29           HA       LYS  29  -1.730   8.897  -0.226
  199    HB2  LYS  29           HB2      LYS  29  -2.077  11.460  -1.799
  200    HB3  LYS  29           HB3      LYS  29  -3.414  10.600  -1.051
  201    HG2  LYS  29           HG2      LYS  29  -2.386  10.903   1.145
  202    HG3  LYS  29           HG3      LYS  29  -1.038  11.760   0.394
  203    HD2  LYS  29           HD2      LYS  29  -2.586  13.474  -0.421
  204    HD3  LYS  29           HD3      LYS  29  -3.931  12.616   0.330
  205    HE2  LYS  29           HE2      LYS  29  -2.906  12.933   2.527
  206    HE3  LYS  29           HE3      LYS  29  -1.555  13.782   1.779
  207    HZ1  LYS  29           HZ1      LYS  29  -3.164  15.327   2.693
  208    HZ2  LYS  29           HZ2      LYS  29  -4.392  14.664   1.736
  209    HZ3  LYS  29           HZ3      LYS  29  -3.100  15.477   1.009
  210    H    SER  30           H        SER  30  -0.259   8.157  -2.865
  211    HA   SER  30           HA       SER  30  -2.350   6.565  -3.970
  212    HB2  SER  30           HB2      SER  30  -2.177   7.480  -6.311
  213    HB3  SER  30           HB3      SER  30  -2.966   8.576  -5.178
  214    HG   SER  30           HG       SER  30  -1.538   9.938  -5.925
  215    H    GLY  31           H        GLY  31  -0.979   4.886  -3.516
  216    HA2  GLY  31           HA2      GLY  31   1.640   4.830  -4.848
  217    HA3  GLY  31           HA3      GLY  31   1.142   3.796  -3.519
  218    H    THR  32           H        THR  32   2.033   2.053  -4.918
  219    HA   THR  32           HA       THR  32  -0.102   0.871  -6.445
  220    HB   THR  32           HB       THR  32   0.824   2.168  -8.247
  221    HG1  THR  32           HG1      THR  32   1.564  -0.574  -8.330
  222   HG21  THR  32          HG21      THR  32   3.237   1.730  -8.987
  223   HG22  THR  32          HG22      THR  32   3.500   1.096  -7.362
  224   HG23  THR  32          HG23      THR  32   3.006   2.774  -7.586
  225    H    CYS  33           H        CYS  33  -0.187  -1.175  -5.813
  226    HA   CYS  33           HA       CYS  33   2.069  -2.511  -4.665
  227    HB2  CYS  33           HB2      CYS  33  -0.243  -3.046  -3.927
  228    HB3  CYS  33           HB3      CYS  33  -0.566  -3.766  -5.500
  229    H    ALA  34           H        ALA  34   3.662  -3.172  -5.759
  230    HA   ALA  34           HA       ALA  34   3.383  -4.572  -8.304
  231    HB1  ALA  34           HB1      ALA  34   5.241  -3.192  -9.239
  232    HB2  ALA  34           HB2      ALA  34   5.091  -2.132  -7.838
  233    HB3  ALA  34           HB3      ALA  34   3.749  -2.291  -8.968
  234    H    ASN  35           H        ASN  35   5.464  -5.630  -8.921
  235    HA   ASN  35           HA       ASN  35   6.753  -6.682  -6.515
  236    HB2  ASN  35           HB2      ASN  35   7.650  -8.447  -8.169
  237    HB3  ASN  35           HB3      ASN  35   5.944  -8.494  -7.757
  238   HD21  ASN  35          HD21      ASN  35   4.517  -8.530  -9.362
  239   HD22  ASN  35          HD22      ASN  35   4.867  -8.214 -11.024
  240    H    ARG  36           H        ARG  36   8.839  -6.489  -6.056
  241    HA   ARG  36           HA       ARG  36  10.458  -4.788  -7.813
  242    HB2  ARG  36           HB2      ARG  36   9.954  -4.438  -5.214
  243    HB3  ARG  36           HB3      ARG  36  11.353  -5.492  -5.059
  244    HG2  ARG  36           HG2      ARG  36  12.688  -3.938  -6.372
  245    HG3  ARG  36           HG3      ARG  36  11.284  -2.889  -6.573
  246    HD2  ARG  36           HD2      ARG  36  11.182  -2.587  -4.138
  247    HD3  ARG  36           HD3      ARG  36  12.606  -3.611  -3.958
  248    HE   ARG  36           HE       ARG  36  13.372  -1.624  -5.683
  249   HH11  ARG  36          HH11      ARG  36  12.114  -1.681  -2.404
  250   HH12  ARG  36          HH12      ARG  36  12.930  -0.224  -1.944
  251   HH21  ARG  36          HH21      ARG  36  14.240   0.885  -3.445
  252   HH22  ARG  36          HH22      ARG  36  14.430   0.281  -5.057
  Start of MODEL   10
    1    H    PCA   1           H3       PCA   1   1.709 -13.541  -3.763
    2    HA   PCA   1           HA       PCA   1   0.269 -15.787  -5.068
    3    HB2  PCA   1           HB2      PCA   1   0.235 -15.700  -2.198
    4    HB3  PCA   1           HB3      PCA   1   0.897 -16.959  -3.266
    5    HG2  PCA   1           HG2      PCA   1   2.331 -15.089  -1.740
    6    HG3  PCA   1           HG3      PCA   1   2.965 -16.235  -2.934
    7    H    CYS   2           H        CYS   2   0.120 -12.815  -3.252
    8    HA   CYS   2           HA       CYS   2  -2.806 -12.826  -3.527
    9    HB2  CYS   2           HB2      CYS   2  -3.100 -11.843  -1.339
   10    HB3  CYS   2           HB3      CYS   2  -2.188 -13.337  -1.182
   11    H    LYS   3           H        LYS   3  -0.011 -11.306  -4.396
   12    HA   LYS   3           HA       LYS   3  -0.805  -8.566  -4.185
   13    HB2  LYS   3           HB2      LYS   3   1.149  -8.044  -5.562
   14    HB3  LYS   3           HB3      LYS   3   1.587  -9.164  -4.286
   15    HG2  LYS   3           HG2      LYS   3   0.853 -10.315  -6.919
   16    HG3  LYS   3           HG3      LYS   3   2.398  -9.474  -6.787
   17    HD2  LYS   3           HD2      LYS   3   2.991 -10.930  -4.879
   18    HD3  LYS   3           HD3      LYS   3   1.470 -11.797  -5.091
   19    HE2  LYS   3           HE2      LYS   3   3.108 -13.104  -6.172
   20    HE3  LYS   3           HE3      LYS   3   2.228 -12.279  -7.457
   21    HZ1  LYS   3           HZ1      LYS   3   4.610 -12.219  -7.839
   22    HZ2  LYS   3           HZ2      LYS   3   4.860 -11.449  -6.354
   23    HZ3  LYS   3           HZ3      LYS   3   4.016 -10.654  -7.586
   24    HA   PRO   4           HA       PRO   4  -3.239  -8.640  -7.977
   25    HB2  PRO   4           HB2      PRO   4  -3.810  -5.881  -7.922
   26    HB3  PRO   4           HB3      PRO   4  -4.759  -7.161  -7.154
   27    HG2  PRO   4           HG2      PRO   4  -3.367  -5.140  -5.824
   28    HG3  PRO   4           HG3      PRO   4  -4.016  -6.621  -5.099
   29    HD2  PRO   4           HD2      PRO   4  -1.226  -6.014  -5.976
   30    HD3  PRO   4           HD3      PRO   4  -1.798  -6.961  -4.588
   31    H    ASN   5           H        ASN   5  -0.552  -6.508  -7.573
   32    HA   ASN   5           HA       ASN   5   0.851  -5.359  -8.908
   33    HB2  ASN   5           HB2      ASN   5   0.320  -7.167 -11.229
   34    HB3  ASN   5           HB3      ASN   5   1.836  -6.476 -10.675
   35   HD21  ASN   5          HD21      ASN   5   3.173  -7.777  -9.672
   36   HD22  ASN   5          HD22      ASN   5   2.767  -9.282  -8.929
   37    H    GLY   6           H        GLY   6   0.326  -3.399  -9.460
   38    HA2  GLY   6           HA2      GLY   6  -0.250  -1.765 -11.072
   39    HA3  GLY   6           HA3      GLY   6  -1.288  -2.944 -11.862
   40    H    ALA   7           H        ALA   7  -1.473  -2.677  -8.422
   41    HA   ALA   7           HA       ALA   7  -4.169  -1.537  -8.652
   42    HB1  ALA   7           HB1      ALA   7  -4.017  -3.646  -7.475
   43    HB2  ALA   7           HB2      ALA   7  -4.478  -2.371  -6.349
   44    HB3  ALA   7           HB3      ALA   7  -2.821  -2.974  -6.368
   45    H    LYS   8           H        LYS   8  -4.859  -0.025  -6.870
   46    HA   LYS   8           HA       LYS   8  -2.852   2.058  -6.571
   47    HB2  LYS   8           HB2      LYS   8  -5.748   1.936  -6.726
   48    HB3  LYS   8           HB3      LYS   8  -5.203   2.966  -5.409
   49    HG2  LYS   8           HG2      LYS   8  -4.092   4.421  -6.841
   50    HG3  LYS   8           HG3      LYS   8  -4.058   3.247  -8.159
   51    HD2  LYS   8           HD2      LYS   8  -6.455   3.453  -8.444
   52    HD3  LYS   8           HD3      LYS   8  -6.549   4.549  -7.066
   53    HE2  LYS   8           HE2      LYS   8  -5.147   6.164  -8.258
   54    HE3  LYS   8           HE3      LYS   8  -5.051   5.065  -9.633
   55    HZ1  LYS   8           HZ1      LYS   8  -7.538   6.305  -8.582
   56    HZ2  LYS   8           HZ2      LYS   8  -7.445   5.252  -9.902
   57    HZ3  LYS   8           HZ3      LYS   8  -6.716   6.776  -9.985
   58    H    CYS   9           H        CYS   9  -2.091   2.866  -4.714
   59    HA   CYS   9           HA       CYS   9  -2.850   1.551  -2.188
   60    HB2  CYS   9           HB2      CYS   9  -0.219   1.889  -3.476
   61    HB3  CYS   9           HB3      CYS   9  -0.255   2.318  -1.773
   62    H    THR  10           H        THR  10  -4.266   3.241  -1.684
   63    HA   THR  10           HA       THR  10  -3.153   5.935  -1.412
   64    HB   THR  10           HB       THR  10  -5.596   6.497  -0.803
   65    HG1  THR  10           HG1      THR  10  -5.763   3.811  -1.554
   66   HG21  THR  10          HG21      THR  10  -6.222   6.632  -3.174
   67   HG22  THR  10          HG22      THR  10  -4.902   5.535  -3.580
   68   HG23  THR  10          HG23      THR  10  -4.550   7.130  -2.916
   69    H    GLU  11           H        GLU  11  -3.800   7.192   0.520
   70    HA   GLU  11           HA       GLU  11  -2.679   6.254   2.843
   71    HB2  GLU  11           HB2      GLU  11  -3.103   8.624   2.236
   72    HB3  GLU  11           HB3      GLU  11  -4.796   8.391   2.640
   73    HG2  GLU  11           HG2      GLU  11  -4.298   8.067   4.928
   74    HG3  GLU  11           HG3      GLU  11  -2.569   7.956   4.603
   75    H    ILE  12           H        ILE  12  -5.920   5.692   1.799
   76    HA   ILE  12           HA       ILE  12  -6.585   4.493   4.392
   77    HB   ILE  12           HB       ILE  12  -8.672   5.298   2.396
   78   HG12  ILE  12          HG12      ILE  12  -7.393   7.364   2.706
   79   HG13  ILE  12          HG13      ILE  12  -8.955   7.494   3.496
   80   HG21  ILE  12          HG21      ILE  12 -10.077   5.512   4.389
   81   HG22  ILE  12          HG22      ILE  12  -8.705   5.029   5.386
   82   HG23  ILE  12          HG23      ILE  12  -9.380   3.902   4.211
   83   HD11  ILE  12          HD11      ILE  12  -6.340   6.947   4.901
   84   HD12  ILE  12          HD12      ILE  12  -7.910   7.190   5.667
   85   HD13  ILE  12          HD13      ILE  12  -7.140   8.515   4.795
   86    H    SER  13           H        SER  13  -5.882   3.750   1.146
   87    HA   SER  13           HA       SER  13  -7.153   1.131   1.473
   88    HB2  SER  13           HB2      SER  13  -7.056   2.712  -1.098
   89    HB3  SER  13           HB3      SER  13  -7.642   1.057  -0.951
   90    HG   SER  13           HG       SER  13  -8.719   3.297   0.419
   91    H    ILE  14           H        ILE  14  -6.016  -0.615   1.043
   92    HA   ILE  14           HA       ILE  14  -3.578  -0.501  -0.521
   93    HB   ILE  14           HB       ILE  14  -2.169  -1.589   1.223
   94   HG12  ILE  14          HG12      ILE  14  -3.065  -0.873   3.666
   95   HG13  ILE  14          HG13      ILE  14  -4.607  -1.226   2.888
   96   HG21  ILE  14          HG21      ILE  14  -1.902   0.764   0.763
   97   HG22  ILE  14          HG22      ILE  14  -1.637   0.438   2.476
   98   HG23  ILE  14          HG23      ILE  14  -3.155   1.158   1.941
   99   HD11  ILE  14          HD11      ILE  14  -3.807  -3.462   2.323
  100   HD12  ILE  14          HD12      ILE  14  -3.744  -3.170   4.061
  101   HD13  ILE  14          HD13      ILE  14  -2.265  -3.106   3.100
  102    HA   PRO  15           HA       PRO  15  -5.068  -4.656  -1.413
  103    HB2  PRO  15           HB2      PRO  15  -3.041  -5.514  -2.986
  104    HB3  PRO  15           HB3      PRO  15  -4.168  -4.259  -3.531
  105    HG2  PRO  15           HG2      PRO  15  -1.415  -3.973  -2.427
  106    HG3  PRO  15           HG3      PRO  15  -2.165  -3.169  -3.824
  107    HD2  PRO  15           HD2      PRO  15  -1.940  -1.990  -1.382
  108    HD3  PRO  15           HD3      PRO  15  -3.244  -1.620  -2.527
  109    HA   PRO  16           HA       PRO  16  -2.896  -7.477   1.329
  110    HB2  PRO  16           HB2      PRO  16  -2.568  -9.754  -0.434
  111    HB3  PRO  16           HB3      PRO  16  -3.791  -9.505   0.822
  112    HG2  PRO  16           HG2      PRO  16  -4.369  -9.586  -1.832
  113    HG3  PRO  16           HG3      PRO  16  -5.327  -8.687  -0.641
  114    HD2  PRO  16           HD2      PRO  16  -3.251  -7.682  -2.538
  115    HD3  PRO  16           HD3      PRO  16  -4.823  -6.972  -2.107
  116    H    CYS  17           H        CYS  17  -1.375  -8.077  -1.852
  117    HA   CYS  17           HA       CYS  17   0.747  -8.520  -2.507
  118    HB2  CYS  17           HB2      CYS  17   1.624  -6.376  -0.588
  119    HB3  CYS  17           HB3      CYS  17   2.319  -6.793  -2.149
  120    H    CYS  18           H        CYS  18   1.438 -10.473  -1.979
  121    HA   CYS  18           HA       CYS  18   2.412 -11.019   0.718
  122    HB2  CYS  18           HB2      CYS  18   1.825 -12.808  -1.636
  123    HB3  CYS  18           HB3      CYS  18   2.588 -13.392  -0.162
  124    H    SER  19           H        SER  19   3.551 -10.486  -2.491
  125    HA   SER  19           HA       SER  19   6.317 -10.835  -1.561
  126    HB2  SER  19           HB2      SER  19   5.193 -11.777  -4.207
  127    HB3  SER  19           HB3      SER  19   6.918 -11.680  -3.852
  128    HG   SER  19           HG       SER  19   6.626 -13.626  -3.106
  129    H    ASN  20           H        ASN  20   4.022  -8.846  -2.902
  130    HA   ASN  20           HA       ASN  20   5.952  -7.193  -4.352
  131    HB2  ASN  20           HB2      ASN  20   2.949  -7.311  -4.298
  132    HB3  ASN  20           HB3      ASN  20   3.791  -5.926  -4.973
  133   HD21  ASN  20          HD21      ASN  20   5.625  -8.700  -5.450
  134   HD22  ASN  20          HD22      ASN  20   5.119  -9.059  -7.062
  135    H    PHE  21           H        PHE  21   4.820  -4.726  -4.130
  136    HA   PHE  21           HA       PHE  21   5.137  -4.074  -1.279
  137    HB2  PHE  21           HB2      PHE  21   6.359  -2.096  -1.910
  138    HB3  PHE  21           HB3      PHE  21   7.089  -3.469  -2.715
  139    HD1  PHE  21           HD1      PHE  21   7.627  -0.697  -3.418
  140    HD2  PHE  21           HD2      PHE  21   4.612  -3.307  -4.908
  141    HE1  PHE  21           HE1      PHE  21   7.574   0.576  -5.518
  142    HE2  PHE  21           HE2      PHE  21   4.556  -2.032  -7.003
  143    HZ   PHE  21           HZ       PHE  21   6.036  -0.093  -7.318
  144    H    CYS  22           H        CYS  22   4.455  -1.633  -0.998
  145    HA   CYS  22           HA       CYS  22   2.004  -1.002  -2.455
  146    HB2  CYS  22           HB2      CYS  22   1.257  -2.155  -0.409
  147    HB3  CYS  22           HB3      CYS  22   2.213  -1.050   0.572
  148    H    LEU  23           H        LEU  23   2.388   0.932  -3.302
  149    HA   LEU  23           HA       LEU  23   4.397   2.658  -2.179
  150    HB2  LEU  23           HB2      LEU  23   2.736   2.715  -4.665
  151    HB3  LEU  23           HB3      LEU  23   3.638   4.134  -4.178
  152    HG   LEU  23           HG       LEU  23   4.732   1.418  -4.924
  153   HD11  LEU  23          HD11      LEU  23   4.237   3.832  -6.350
  154   HD12  LEU  23          HD12      LEU  23   4.942   2.324  -6.934
  155   HD13  LEU  23          HD13      LEU  23   5.979   3.580  -6.260
  156   HD21  LEU  23          HD21      LEU  23   6.246   1.949  -3.259
  157   HD22  LEU  23          HD22      LEU  23   6.040   3.687  -3.473
  158   HD23  LEU  23          HD23      LEU  23   6.982   2.761  -4.640
  159    H    ARG  24           H        ARG  24   2.262   2.271  -0.503
  160    HA   ARG  24           HA       ARG  24   0.587   4.630  -0.415
  161    HB2  ARG  24           HB2      ARG  24   0.118   2.182   0.442
  162    HB3  ARG  24           HB3      ARG  24   0.957   2.720   1.881
  163    HG2  ARG  24           HG2      ARG  24  -1.356   4.311   0.836
  164    HG3  ARG  24           HG3      ARG  24  -1.650   2.829   1.738
  165    HD2  ARG  24           HD2      ARG  24  -1.657   4.297   3.476
  166    HD3  ARG  24           HD3      ARG  24   0.070   3.963   3.425
  167    HE   ARG  24           HE       ARG  24  -0.303   6.111   1.753
  168   HH11  ARG  24          HH11      ARG  24  -0.913   5.468   5.152
  169   HH12  ARG  24          HH12      ARG  24  -0.711   7.123   5.621
  170   HH21  ARG  24          HH21      ARG  24  -0.065   8.278   2.389
  171   HH22  ARG  24          HH22      ARG  24  -0.232   8.711   4.058
  172    H    TYR  25           H        TYR  25   2.806   5.787  -0.612
  173    HA   TYR  25           HA       TYR  25   4.547   6.060   1.577
  174    HB2  TYR  25           HB2      TYR  25   4.127   7.373  -1.001
  175    HB3  TYR  25           HB3      TYR  25   4.749   8.457   0.238
  176    HD1  TYR  25           HD1      TYR  25   5.460   5.496  -1.803
  177    HD2  TYR  25           HD2      TYR  25   6.959   8.130   1.184
  178    HE1  TYR  25           HE1      TYR  25   7.725   4.608  -2.164
  179    HE2  TYR  25           HE2      TYR  25   9.228   7.249   0.830
  180    HH   TYR  25           HH       TYR  25  10.299   5.215  -0.040
  181    H    ALA  26           H        ALA  26   4.883   7.909   2.964
  182    HA   ALA  26           HA       ALA  26   2.450   8.871   4.153
  183    HB1  ALA  26           HB1      ALA  26   3.899   9.886   5.822
  184    HB2  ALA  26           HB2      ALA  26   5.313   9.517   4.835
  185    HB3  ALA  26           HB3      ALA  26   4.356   8.209   5.529
  186    H    GLY  27           H        GLY  27   1.407  10.278   2.861
  187    HA2  GLY  27           HA2      GLY  27   1.256  12.776   2.711
  188    HA3  GLY  27           HA3      GLY  27   2.861  12.701   1.998
  189    H    GLN  28           H        GLN  28   2.053  10.172   0.566
  190    HA   GLN  28           HA       GLN  28   0.798  11.484  -1.729
  191    HB2  GLN  28           HB2      GLN  28   2.348   8.911  -1.439
  192    HB3  GLN  28           HB3      GLN  28   1.508   9.350  -2.919
  193    HG2  GLN  28           HG2      GLN  28   2.879  11.364  -3.104
  194    HG3  GLN  28           HG3      GLN  28   3.720  10.928  -1.618
  195   HE21  GLN  28          HE21      GLN  28   3.265  10.194  -4.982
  196   HE22  GLN  28          HE22      GLN  28   4.635   9.155  -5.152
  197    H    LYS  29           H        LYS  29  -0.918  10.539  -2.877
  198    HA   LYS  29           HA       LYS  29  -2.459   8.474  -1.460
  199    HB2  LYS  29           HB2      LYS  29  -3.447  11.135  -2.484
  200    HB3  LYS  29           HB3      LYS  29  -4.538   9.788  -2.196
  201    HG2  LYS  29           HG2      LYS  29  -3.864   9.743   0.153
  202    HG3  LYS  29           HG3      LYS  29  -2.768  11.095  -0.137
  203    HD2  LYS  29           HD2      LYS  29  -4.669  12.495  -0.785
  204    HD3  LYS  29           HD3      LYS  29  -5.765  11.141  -0.496
  205    HE2  LYS  29           HE2      LYS  29  -5.098  11.108   1.858
  206    HE3  LYS  29           HE3      LYS  29  -4.003  12.459   1.567
  207    HZ1  LYS  29           HZ1      LYS  29  -6.088  13.204   2.526
  208    HZ2  LYS  29           HZ2      LYS  29  -6.955  12.525   1.241
  209    HZ3  LYS  29           HZ3      LYS  29  -5.905  13.822   0.960
  210    H    SER  30           H        SER  30  -0.729   8.006  -3.615
  211    HA   SER  30           HA       SER  30  -2.553   6.857  -5.532
  212    HB2  SER  30           HB2      SER  30  -0.515   8.914  -6.448
  213    HB3  SER  30           HB3      SER  30  -1.448   7.871  -7.521
  214    HG   SER  30           HG       SER  30  -3.324   8.883  -6.815
  215    H    GLY  31           H        GLY  31  -1.134   5.461  -3.803
  216    HA2  GLY  31           HA2      GLY  31   1.475   4.731  -4.776
  217    HA3  GLY  31           HA3      GLY  31   0.590   3.953  -3.476
  218    H    THR  32           H        THR  32   1.606   2.006  -4.608
  219    HA   THR  32           HA       THR  32  -0.389   0.661  -6.078
  220    HB   THR  32           HB       THR  32   0.373   1.991  -7.979
  221    HG1  THR  32           HG1      THR  32   1.073  -0.766  -8.054
  222   HG21  THR  32          HG21      THR  32   2.652   1.638  -8.931
  223   HG22  THR  32          HG22      THR  32   3.094   0.776  -7.457
  224   HG23  THR  32          HG23      THR  32   2.664   2.485  -7.384
  225    H    CYS  33           H        CYS  33  -0.099  -1.446  -6.290
  226    HA   CYS  33           HA       CYS  33   2.269  -2.669  -5.055
  227    HB2  CYS  33           HB2      CYS  33   0.000  -3.179  -4.062
  228    HB3  CYS  33           HB3      CYS  33  -0.426  -3.967  -5.575
  229    H    ALA  34           H        ALA  34   3.671  -3.597  -6.395
  230    HA   ALA  34           HA       ALA  34   2.862  -4.663  -8.966
  231    HB1  ALA  34           HB1      ALA  34   4.133  -3.270 -10.282
  232    HB2  ALA  34           HB2      ALA  34   5.186  -2.809  -8.949
  233    HB3  ALA  34           HB3      ALA  34   3.552  -2.153  -9.048
  234    H    ASN  35           H        ASN  35   5.782  -3.897  -7.121
  235    HA   ASN  35           HA       ASN  35   6.543  -6.654  -6.838
  236    HB2  ASN  35           HB2      ASN  35   7.783  -4.992  -8.960
  237    HB3  ASN  35           HB3      ASN  35   8.895  -5.913  -7.956
  238   HD21  ASN  35          HD21      ASN  35   6.299  -6.081 -10.258
  239   HD22  ASN  35          HD22      ASN  35   6.480  -7.755 -10.645
  240    H    ARG  36           H        ARG  36   8.209  -6.970  -5.345
  241    HA   ARG  36           HA       ARG  36   8.834  -4.615  -3.718
  242    HB2  ARG  36           HB2      ARG  36   7.762  -6.900  -2.888
  243    HB3  ARG  36           HB3      ARG  36   9.446  -7.392  -2.806
  244    HG2  ARG  36           HG2      ARG  36   9.918  -5.507  -1.316
  245    HG3  ARG  36           HG3      ARG  36   8.220  -5.034  -1.389
  246    HD2  ARG  36           HD2      ARG  36   7.580  -7.183  -0.411
  247    HD3  ARG  36           HD3      ARG  36   9.277  -7.659  -0.343
  248    HE   ARG  36           HE       ARG  36   8.985  -5.239   1.030
  249   HH11  ARG  36          HH11      ARG  36   8.016  -8.594   1.403
  250   HH12  ARG  36          HH12      ARG  36   7.966  -8.507   3.132
  251   HH21  ARG  36          HH21      ARG  36   8.475  -6.557   4.201
  252   HH22  ARG  36          HH22      ARG  36   8.914  -5.148   3.294
  Start of MODEL   11
    1    H    PCA   1           H3       PCA   1   2.546 -14.491  -3.657
    2    HA   PCA   1           HA       PCA   1   0.433 -15.450  -4.315
    3    HB2  PCA   1           HB2      PCA   1   0.112 -15.705  -1.464
    4    HB3  PCA   1           HB3      PCA   1   0.829 -16.855  -2.616
    5    HG2  PCA   1           HG2      PCA   1   2.158 -15.149  -0.773
    6    HG3  PCA   1           HG3      PCA   1   2.859 -16.308  -1.918
    7    H    CYS   2           H        CYS   2   0.158 -12.519  -2.549
    8    HA   CYS   2           HA       CYS   2  -2.768 -12.629  -2.804
    9    HB2  CYS   2           HB2      CYS   2  -3.074 -11.520  -0.684
   10    HB3  CYS   2           HB3      CYS   2  -2.102 -12.963  -0.436
   11    H    LYS   3           H        LYS   3   0.026 -11.044  -3.689
   12    HA   LYS   3           HA       LYS   3  -0.925  -8.346  -3.716
   13    HB2  LYS   3           HB2      LYS   3   1.123  -8.549  -5.651
   14    HB3  LYS   3           HB3      LYS   3   1.240  -7.887  -4.039
   15    HG2  LYS   3           HG2      LYS   3   2.966  -9.444  -4.142
   16    HG3  LYS   3           HG3      LYS   3   1.689 -10.297  -3.276
   17    HD2  LYS   3           HD2      LYS   3   1.176 -11.644  -5.113
   18    HD3  LYS   3           HD3      LYS   3   1.968 -10.553  -6.253
   19    HE2  LYS   3           HE2      LYS   3   4.140 -11.168  -5.383
   20    HE3  LYS   3           HE3      LYS   3   3.390 -12.180  -4.150
   21    HZ1  LYS   3           HZ1      LYS   3   4.182 -13.507  -5.995
   22    HZ2  LYS   3           HZ2      LYS   3   3.244 -12.616  -7.085
   23    HZ3  LYS   3           HZ3      LYS   3   2.493 -13.579  -5.915
   24    HA   PRO   4           HA       PRO   4  -3.106  -8.784  -7.613
   25    HB2  PRO   4           HB2      PRO   4  -3.741  -6.043  -7.813
   26    HB3  PRO   4           HB3      PRO   4  -4.702  -7.286  -7.001
   27    HG2  PRO   4           HG2      PRO   4  -3.448  -5.132  -5.755
   28    HG3  PRO   4           HG3      PRO   4  -4.085  -6.578  -4.953
   29    HD2  PRO   4           HD2      PRO   4  -1.273  -5.939  -5.740
   30    HD3  PRO   4           HD3      PRO   4  -1.885  -6.789  -4.306
   31    H    ASN   5           H        ASN   5  -0.408  -6.685  -7.264
   32    HA   ASN   5           HA       ASN   5   0.989  -5.552  -8.630
   33    HB2  ASN   5           HB2      ASN   5   1.051  -7.244 -10.946
   34    HB3  ASN   5           HB3      ASN   5   2.267  -7.039  -9.697
   35   HD21  ASN   5          HD21      ASN   5   2.310  -8.486  -7.955
   36   HD22  ASN   5          HD22      ASN   5   1.540 -10.030  -8.041
   37    H    GLY   6           H        GLY   6   0.263  -3.692  -9.278
   38    HA2  GLY   6           HA2      GLY   6  -0.152  -2.278 -11.184
   39    HA3  GLY   6           HA3      GLY   6  -1.178  -3.545 -11.845
   40    H    ALA   7           H        ALA   7  -1.482  -2.952  -8.479
   41    HA   ALA   7           HA       ALA   7  -4.126  -1.754  -8.901
   42    HB1  ALA   7           HB1      ALA   7  -2.941  -3.039  -6.442
   43    HB2  ALA   7           HB2      ALA   7  -4.041  -3.809  -7.585
   44    HB3  ALA   7           HB3      ALA   7  -4.596  -2.455  -6.602
   45    H    LYS   8           H        LYS   8  -4.810  -0.221  -7.027
   46    HA   LYS   8           HA       LYS   8  -2.776   1.867  -6.850
   47    HB2  LYS   8           HB2      LYS   8  -5.696   1.792  -6.988
   48    HB3  LYS   8           HB3      LYS   8  -5.076   2.940  -5.808
   49    HG2  LYS   8           HG2      LYS   8  -3.976   4.196  -7.415
   50    HG3  LYS   8           HG3      LYS   8  -3.982   2.877  -8.588
   51    HD2  LYS   8           HD2      LYS   8  -6.384   3.097  -8.864
   52    HD3  LYS   8           HD3      LYS   8  -6.430   4.358  -7.631
   53    HE2  LYS   8           HE2      LYS   8  -5.020   5.782  -9.032
   54    HE3  LYS   8           HE3      LYS   8  -4.955   4.517 -10.259
   55    HZ1  LYS   8           HZ1      LYS   8  -7.412   5.921  -9.353
   56    HZ2  LYS   8           HZ2      LYS   8  -7.349   4.710 -10.531
   57    HZ3  LYS   8           HZ3      LYS   8  -6.597   6.199 -10.810
   58    H    CYS   9           H        CYS   9  -2.191   2.878  -4.998
   59    HA   CYS   9           HA       CYS   9  -2.975   1.671  -2.422
   60    HB2  CYS   9           HB2      CYS   9  -0.317   1.886  -3.675
   61    HB3  CYS   9           HB3      CYS   9  -0.370   2.499  -2.029
   62    H    THR  10           H        THR  10  -4.430   3.408  -2.198
   63    HA   THR  10           HA       THR  10  -3.449   6.129  -2.191
   64    HB   THR  10           HB       THR  10  -5.827   6.638  -1.385
   65    HG1  THR  10           HG1      THR  10  -5.941   4.105  -0.999
   66   HG21  THR  10          HG21      THR  10  -6.771   6.344  -3.635
   67   HG22  THR  10          HG22      THR  10  -5.437   5.266  -4.048
   68   HG23  THR  10          HG23      THR  10  -5.122   6.966  -3.698
   69    H    GLU  11           H        GLU  11  -3.985   7.573  -0.336
   70    HA   GLU  11           HA       GLU  11  -2.573   6.870   1.958
   71    HB2  GLU  11           HB2      GLU  11  -2.943   9.171   1.140
   72    HB3  GLU  11           HB3      GLU  11  -4.626   9.063   1.628
   73    HG2  GLU  11           HG2      GLU  11  -4.017   8.928   3.931
   74    HG3  GLU  11           HG3      GLU  11  -2.307   8.816   3.521
   75    H    ILE  12           H        ILE  12  -5.865   6.240   1.221
   76    HA   ILE  12           HA       ILE  12  -6.396   5.444   3.990
   77    HB   ILE  12           HB       ILE  12  -8.594   5.932   2.024
   78   HG12  ILE  12          HG12      ILE  12  -7.296   8.011   1.887
   79   HG13  ILE  12          HG13      ILE  12  -8.813   8.289   2.723
   80   HG21  ILE  12          HG21      ILE  12  -9.174   4.880   4.097
   81   HG22  ILE  12          HG22      ILE  12  -9.867   6.501   4.036
   82   HG23  ILE  12          HG23      ILE  12  -8.429   6.193   5.010
   83   HD11  ILE  12          HD11      ILE  12  -7.662   8.384   4.852
   84   HD12  ILE  12          HD12      ILE  12  -6.918   9.509   3.715
   85   HD13  ILE  12          HD13      ILE  12  -6.134   7.972   4.074
   86    H    SER  13           H        SER  13  -5.931   4.229   0.821
   87    HA   SER  13           HA       SER  13  -7.092   1.682   1.665
   88    HB2  SER  13           HB2      SER  13  -7.458   2.888  -1.083
   89    HB3  SER  13           HB3      SER  13  -7.950   1.260  -0.619
   90    HG   SER  13           HG       SER  13  -9.711   2.636  -0.441
   91    H    ILE  14           H        ILE  14  -6.084  -0.144   1.086
   92    HA   ILE  14           HA       ILE  14  -3.823  -0.092  -0.716
   93    HB   ILE  14           HB       ILE  14  -2.258  -1.143   0.951
   94   HG12  ILE  14          HG12      ILE  14  -2.864  -0.187   3.394
   95   HG13  ILE  14          HG13      ILE  14  -4.495  -0.512   2.814
   96   HG21  ILE  14          HG21      ILE  14  -1.593   0.992   2.004
   97   HG22  ILE  14          HG22      ILE  14  -3.101   1.699   1.423
   98   HG23  ILE  14          HG23      ILE  14  -1.899   1.114   0.271
   99   HD11  ILE  14          HD11      ILE  14  -3.611  -2.399   4.060
  100   HD12  ILE  14          HD12      ILE  14  -2.241  -2.503   2.954
  101   HD13  ILE  14          HD13      ILE  14  -3.873  -2.832   2.371
  102    HA   PRO  15           HA       PRO  15  -5.328  -4.279  -1.376
  103    HB2  PRO  15           HB2      PRO  15  -3.291  -5.200  -2.928
  104    HB3  PRO  15           HB3      PRO  15  -4.471  -4.021  -3.528
  105    HG2  PRO  15           HG2      PRO  15  -1.721  -3.561  -2.474
  106    HG3  PRO  15           HG3      PRO  15  -2.498  -2.892  -3.925
  107    HD2  PRO  15           HD2      PRO  15  -2.304  -1.497  -1.640
  108    HD3  PRO  15           HD3      PRO  15  -3.692  -1.334  -2.733
  109    HA   PRO  16           HA       PRO  16  -3.115  -6.987   1.452
  110    HB2  PRO  16           HB2      PRO  16  -2.677  -9.292  -0.270
  111    HB3  PRO  16           HB3      PRO  16  -3.891  -9.080   1.002
  112    HG2  PRO  16           HG2      PRO  16  -4.531  -9.243  -1.619
  113    HG3  PRO  16           HG3      PRO  16  -5.479  -8.308  -0.445
  114    HD2  PRO  16           HD2      PRO  16  -3.429  -7.350  -2.401
  115    HD3  PRO  16           HD3      PRO  16  -5.020  -6.658  -2.010
  116    H    CYS  17           H        CYS  17  -1.490  -7.833  -1.635
  117    HA   CYS  17           HA       CYS  17   0.667  -8.179  -2.204
  118    HB2  CYS  17           HB2      CYS  17   1.433  -5.851  -0.468
  119    HB3  CYS  17           HB3      CYS  17   2.111  -6.337  -2.016
  120    H    CYS  18           H        CYS  18   1.473 -10.010  -1.530
  121    HA   CYS  18           HA       CYS  18   2.373 -10.307   1.230
  122    HB2  CYS  18           HB2      CYS  18   1.901 -12.280  -0.995
  123    HB3  CYS  18           HB3      CYS  18   2.703 -12.732   0.505
  124    H    SER  19           H        SER  19   3.608  -9.901  -1.968
  125    HA   SER  19           HA       SER  19   6.340 -10.047  -0.900
  126    HB2  SER  19           HB2      SER  19   5.474 -11.328  -3.498
  127    HB3  SER  19           HB3      SER  19   7.146 -11.166  -2.958
  128    HG   SER  19           HG       SER  19   5.617 -13.158  -2.453
  129    H    ASN  20           H        ASN  20   4.051  -8.555  -2.954
  130    HA   ASN  20           HA       ASN  20   5.953  -7.001  -4.468
  131    HB2  ASN  20           HB2      ASN  20   2.953  -7.018  -4.269
  132    HB3  ASN  20           HB3      ASN  20   3.797  -5.779  -5.177
  133   HD21  ASN  20          HD21      ASN  20   4.864  -9.128  -4.974
  134   HD22  ASN  20          HD22      ASN  20   4.551  -9.518  -6.628
  135    H    PHE  21           H        PHE  21   4.928  -4.448  -4.491
  136    HA   PHE  21           HA       PHE  21   5.365  -3.548  -1.721
  137    HB2  PHE  21           HB2      PHE  21   6.517  -1.572  -2.648
  138    HB3  PHE  21           HB3      PHE  21   7.325  -3.070  -3.069
  139    HD1  PHE  21           HD1      PHE  21   7.953  -3.440  -5.244
  140    HD2  PHE  21           HD2      PHE  21   4.908  -0.565  -4.482
  141    HE1  PHE  21           HE1      PHE  21   8.041  -2.738  -7.595
  142    HE2  PHE  21           HE2      PHE  21   4.990   0.134  -6.840
  143    HZ   PHE  21           HZ       PHE  21   6.557  -0.947  -8.397
  144    H    CYS  22           H        CYS  22   4.423  -1.571  -1.081
  145    HA   CYS  22           HA       CYS  22   2.113  -0.725  -2.697
  146    HB2  CYS  22           HB2      CYS  22   1.317  -1.867  -0.696
  147    HB3  CYS  22           HB3      CYS  22   2.348  -0.866   0.321
  148    H    LEU  23           H        LEU  23   2.420   1.228  -3.486
  149    HA   LEU  23           HA       LEU  23   4.469   2.943  -2.391
  150    HB2  LEU  23           HB2      LEU  23   2.800   2.972  -4.866
  151    HB3  LEU  23           HB3      LEU  23   3.737   4.378  -4.416
  152    HG   LEU  23           HG       LEU  23   4.773   1.621  -5.077
  153   HD11  LEU  23          HD11      LEU  23   4.246   3.952  -6.620
  154   HD12  LEU  23          HD12      LEU  23   4.910   2.403  -7.141
  155   HD13  LEU  23          HD13      LEU  23   5.987   3.681  -6.580
  156   HD21  LEU  23          HD21      LEU  23   6.337   2.224  -3.495
  157   HD22  LEU  23          HD22      LEU  23   6.136   3.949  -3.790
  158   HD23  LEU  23          HD23      LEU  23   7.037   2.959  -4.937
  159    H    ARG  24           H        ARG  24   2.338   2.600  -0.699
  160    HA   ARG  24           HA       ARG  24   0.666   4.967  -0.681
  161    HB2  ARG  24           HB2      ARG  24   0.094   2.587   0.192
  162    HB3  ARG  24           HB3      ARG  24   1.024   3.032   1.606
  163    HG2  ARG  24           HG2      ARG  24  -1.272   4.741   0.697
  164    HG3  ARG  24           HG3      ARG  24  -1.556   3.280   1.636
  165    HD2  ARG  24           HD2      ARG  24   0.256   4.314   3.232
  166    HD3  ARG  24           HD3      ARG  24  -0.208   5.821   2.446
  167    HE   ARG  24           HE       ARG  24  -2.577   5.047   3.151
  168   HH11  ARG  24          HH11      ARG  24   0.347   4.595   5.043
  169   HH12  ARG  24          HH12      ARG  24  -0.492   4.614   6.559
  170   HH21  ARG  24          HH21      ARG  24  -3.656   5.061   5.153
  171   HH22  ARG  24          HH22      ARG  24  -2.752   4.877   6.619
  172    H    TYR  25           H        TYR  25   3.722   3.967   0.514
  173    HA   TYR  25           HA       TYR  25   5.342   4.832   1.820
  174    HB2  TYR  25           HB2      TYR  25   4.098   7.344   0.733
  175    HB3  TYR  25           HB3      TYR  25   5.506   7.399   1.788
  176    HD1  TYR  25           HD1      TYR  25   4.269   6.572  -1.539
  177    HD2  TYR  25           HD2      TYR  25   7.660   6.507   1.029
  178    HE1  TYR  25           HE1      TYR  25   5.729   6.207  -3.485
  179    HE2  TYR  25           HE2      TYR  25   9.129   6.138  -0.908
  180    HH   TYR  25           HH       TYR  25   8.978   5.259  -3.194
  181    H    ALA  26           H        ALA  26   3.543   7.649   2.724
  182    HA   ALA  26           HA       ALA  26   2.793   6.537   5.317
  183    HB1  ALA  26           HB1      ALA  26   4.490   9.008   5.046
  184    HB2  ALA  26           HB2      ALA  26   5.044   7.440   5.634
  185    HB3  ALA  26           HB3      ALA  26   3.842   8.351   6.549
  186    H    GLY  27           H        GLY  27   2.653   9.154   3.016
  187    HA2  GLY  27           HA2      GLY  27  -0.104   9.718   3.806
  188    HA3  GLY  27           HA3      GLY  27   1.035  11.053   3.877
  189    H    GLN  28           H        GLN  28   0.985   8.479   1.458
  190    HA   GLN  28           HA       GLN  28   0.558  10.508  -0.620
  191    HB2  GLN  28           HB2      GLN  28   1.856   7.794  -0.642
  192    HB3  GLN  28           HB3      GLN  28   1.344   8.565  -2.136
  193    HG2  GLN  28           HG2      GLN  28   3.129   9.999  -0.207
  194    HG3  GLN  28           HG3      GLN  28   3.785   8.839  -1.361
  195   HE21  GLN  28          HE21      GLN  28   2.238  11.924  -0.955
  196   HE22  GLN  28          HE22      GLN  28   2.537  12.514  -2.551
  197    H    LYS  29           H        LYS  29  -0.992  10.270  -2.203
  198    HA   LYS  29           HA       LYS  29  -3.087   8.292  -1.628
  199    HB2  LYS  29           HB2      LYS  29  -3.366  10.944  -1.457
  200    HB3  LYS  29           HB3      LYS  29  -3.703  10.758  -3.173
  201    HG2  LYS  29           HG2      LYS  29  -5.471   9.148  -2.638
  202    HG3  LYS  29           HG3      LYS  29  -5.148   9.388  -0.920
  203    HD2  LYS  29           HD2      LYS  29  -5.722  11.759  -1.147
  204    HD3  LYS  29           HD3      LYS  29  -6.043  11.516  -2.864
  205    HE2  LYS  29           HE2      LYS  29  -8.151  11.478  -1.809
  206    HE3  LYS  29           HE3      LYS  29  -7.763   9.796  -2.160
  207    HZ1  LYS  29           HZ1      LYS  29  -8.660  10.048   0.066
  208    HZ2  LYS  29           HZ2      LYS  29  -7.430  11.135   0.472
  209    HZ3  LYS  29           HZ3      LYS  29  -7.054   9.520   0.138
  210    H    SER  30           H        SER  30  -0.662   8.158  -3.532
  211    HA   SER  30           HA       SER  30  -2.153   7.123  -5.804
  212    HB2  SER  30           HB2      SER  30  -0.661   8.301  -7.448
  213    HB3  SER  30           HB3      SER  30  -1.733   9.384  -6.560
  214    HG   SER  30           HG       SER  30   0.506   9.151  -5.166
  215    H    GLY  31           H        GLY  31  -1.229   5.349  -4.286
  216    HA2  GLY  31           HA2      GLY  31   1.526   4.676  -5.023
  217    HA3  GLY  31           HA3      GLY  31   0.594   3.918  -3.740
  218    H    THR  32           H        THR  32   1.861   2.129  -5.292
  219    HA   THR  32           HA       THR  32  -0.328   0.849  -6.661
  220    HB   THR  32           HB       THR  32   0.444   2.172  -8.527
  221    HG1  THR  32           HG1      THR  32   1.052  -0.584  -8.587
  222   HG21  THR  32          HG21      THR  32   2.720   2.696  -7.866
  223   HG22  THR  32          HG22      THR  32   2.728   1.941  -9.459
  224   HG23  THR  32          HG23      THR  32   3.192   1.005  -8.039
  225    H    CYS  33           H        CYS  33  -0.318  -1.141  -5.995
  226    HA   CYS  33           HA       CYS  33   2.006  -2.427  -4.932
  227    HB2  CYS  33           HB2      CYS  33  -0.276  -2.892  -4.060
  228    HB3  CYS  33           HB3      CYS  33  -0.668  -3.700  -5.572
  229    H    ALA  34           H        ALA  34   3.531  -3.240  -6.060
  230    HA   ALA  34           HA       ALA  34   3.103  -4.840  -8.438
  231    HB1  ALA  34           HB1      ALA  34   4.786  -3.523  -9.727
  232    HB2  ALA  34           HB2      ALA  34   4.719  -2.296  -8.461
  233    HB3  ALA  34           HB3      ALA  34   3.283  -2.653  -9.419
  234    H    ASN  35           H        ASN  35   5.293  -5.766  -9.193
  235    HA   ASN  35           HA       ASN  35   6.614  -6.860  -6.884
  236    HB2  ASN  35           HB2      ASN  35   6.855  -7.310  -9.847
  237    HB3  ASN  35           HB3      ASN  35   8.035  -7.998  -8.737
  238   HD21  ASN  35          HD21      ASN  35   4.772  -8.106  -9.882
  239   HD22  ASN  35          HD22      ASN  35   4.322  -9.572  -9.088
  240    H    ARG  36           H        ARG  36   8.800  -6.802  -6.384
  241    HA   ARG  36           HA       ARG  36  10.090  -4.269  -7.010
  242    HB2  ARG  36           HB2      ARG  36  11.669  -4.925  -5.157
  243    HB3  ARG  36           HB3      ARG  36   9.994  -4.728  -4.676
  244    HG2  ARG  36           HG2      ARG  36   9.719  -7.177  -4.698
  245    HG3  ARG  36           HG3      ARG  36  11.422  -7.347  -5.126
  246    HD2  ARG  36           HD2      ARG  36  12.058  -6.231  -3.046
  247    HD3  ARG  36           HD3      ARG  36  10.356  -6.046  -2.621
  248    HE   ARG  36           HE       ARG  36  10.946  -8.767  -3.099
  249   HH11  ARG  36          HH11      ARG  36  11.480  -6.277  -0.680
  250   HH12  ARG  36          HH12      ARG  36  11.609  -7.411   0.624
  251   HH21  ARG  36          HH21      ARG  36  11.405  -9.647   0.227
  252   HH22  ARG  36          HH22      ARG  36  11.119 -10.230  -1.378
  Start of MODEL   12
    1    H    PCA   1           H3       PCA   1   1.804 -13.572  -3.698
    2    HA   PCA   1           HA       PCA   1   0.218 -15.763  -4.939
    3    HB2  PCA   1           HB2      PCA   1   0.388 -15.867  -2.109
    4    HB3  PCA   1           HB3      PCA   1   1.110 -16.987  -3.286
    5    HG2  PCA   1           HG2      PCA   1   2.422 -15.060  -1.680
    6    HG3  PCA   1           HG3      PCA   1   3.123 -16.150  -2.889
    7    H    CYS   2           H        CYS   2   0.264 -12.727  -3.325
    8    HA   CYS   2           HA       CYS   2  -2.665 -12.775  -3.070
    9    HB2  CYS   2           HB2      CYS   2  -1.064 -11.293  -1.020
   10    HB3  CYS   2           HB3      CYS   2  -2.685 -11.969  -0.896
   11    H    LYS   3           H        LYS   3   0.156 -11.178  -4.077
   12    HA   LYS   3           HA       LYS   3  -0.769  -8.487  -4.042
   13    HB2  LYS   3           HB2      LYS   3   1.214  -7.955  -5.340
   14    HB3  LYS   3           HB3      LYS   3   1.641  -9.054  -4.039
   15    HG2  LYS   3           HG2      LYS   3   0.994 -10.254  -6.667
   16    HG3  LYS   3           HG3      LYS   3   2.513  -9.371  -6.522
   17    HD2  LYS   3           HD2      LYS   3   3.145 -10.785  -4.618
   18    HD3  LYS   3           HD3      LYS   3   1.627 -11.669  -4.773
   19    HE2  LYS   3           HE2      LYS   3   3.254 -12.997  -5.846
   20    HE3  LYS   3           HE3      LYS   3   2.340 -12.220  -7.137
   21    HZ1  LYS   3           HZ1      LYS   3   4.714 -12.157  -7.572
   22    HZ2  LYS   3           HZ2      LYS   3   4.988 -11.338  -6.119
   23    HZ3  LYS   3           HZ3      LYS   3   4.114 -10.589  -7.356
   24    HA   PRO   4           HA       PRO   4  -2.937  -8.704  -7.992
   25    HB2  PRO   4           HB2      PRO   4  -3.625  -5.983  -8.017
   26    HB3  PRO   4           HB3      PRO   4  -4.547  -7.277  -7.237
   27    HG2  PRO   4           HG2      PRO   4  -3.258  -5.152  -5.941
   28    HG3  PRO   4           HG3      PRO   4  -3.930  -6.604  -5.182
   29    HD2  PRO   4           HD2      PRO   4  -1.103  -5.996  -5.924
   30    HD3  PRO   4           HD3      PRO   4  -1.745  -6.917  -4.546
   31    H    ASN   5           H        ASN   5  -0.287  -6.576  -7.428
   32    HA   ASN   5           HA       ASN   5   1.134  -5.325  -8.656
   33    HB2  ASN   5           HB2      ASN   5   1.164  -6.864 -11.114
   34    HB3  ASN   5           HB3      ASN   5   2.444  -6.586  -9.947
   35   HD21  ASN   5          HD21      ASN   5   3.026  -8.179  -8.616
   36   HD22  ASN   5          HD22      ASN   5   2.277  -9.734  -8.550
   37    H    GLY   6           H        GLY   6   0.621  -3.415  -9.310
   38    HA2  GLY   6           HA2      GLY   6   0.163  -1.869 -11.061
   39    HA3  GLY   6           HA3      GLY   6  -0.862  -3.077 -11.821
   40    H    ALA   7           H        ALA   7  -1.299  -2.852  -8.454
   41    HA   ALA   7           HA       ALA   7  -3.884  -1.529  -8.838
   42    HB1  ALA   7           HB1      ALA   7  -2.842  -2.981  -6.413
   43    HB2  ALA   7           HB2      ALA   7  -3.814  -3.714  -7.689
   44    HB3  ALA   7           HB3      ALA   7  -4.496  -2.435  -6.686
   45    H    LYS   8           H        LYS   8  -4.554   0.244  -7.594
   46    HA   LYS   8           HA       LYS   8  -2.387   1.978  -6.751
   47    HB2  LYS   8           HB2      LYS   8  -5.091   2.311  -7.739
   48    HB3  LYS   8           HB3      LYS   8  -4.775   3.334  -6.343
   49    HG2  LYS   8           HG2      LYS   8  -3.052   4.477  -7.418
   50    HG3  LYS   8           HG3      LYS   8  -2.877   3.230  -8.657
   51    HD2  LYS   8           HD2      LYS   8  -5.030   3.824  -9.600
   52    HD3  LYS   8           HD3      LYS   8  -5.285   5.014  -8.322
   53    HE2  LYS   8           HE2      LYS   8  -3.340   6.274  -9.109
   54    HE3  LYS   8           HE3      LYS   8  -3.082   5.082 -10.382
   55    HZ1  LYS   8           HZ1      LYS   8  -4.244   7.026 -11.216
   56    HZ2  LYS   8           HZ2      LYS   8  -5.485   6.805 -10.088
   57    HZ3  LYS   8           HZ3      LYS   8  -5.238   5.660 -11.309
   58    H    CYS   9           H        CYS   9  -2.059   2.832  -4.795
   59    HA   CYS   9           HA       CYS   9  -3.552   1.698  -2.509
   60    HB2  CYS   9           HB2      CYS   9  -0.683   2.559  -2.841
   61    HB3  CYS   9           HB3      CYS   9  -1.410   2.415  -1.251
   62    H    THR  10           H        THR  10  -4.145   3.083  -0.830
   63    HA   THR  10           HA       THR  10  -3.708   5.951  -1.168
   64    HB   THR  10           HB       THR  10  -6.497   5.298  -0.450
   65    HG1  THR  10           HG1      THR  10  -5.365   4.409  -2.819
   66   HG21  THR  10          HG21      THR  10  -5.241   7.249  -2.385
   67   HG22  THR  10          HG22      THR  10  -5.690   7.593  -0.715
   68   HG23  THR  10          HG23      THR  10  -6.937   7.224  -1.906
   69    H    GLU  11           H        GLU  11  -4.502   7.189   0.753
   70    HA   GLU  11           HA       GLU  11  -3.324   6.412   3.109
   71    HB2  GLU  11           HB2      GLU  11  -5.725   8.229   2.906
   72    HB3  GLU  11           HB3      GLU  11  -4.550   8.196   4.213
   73    HG2  GLU  11           HG2      GLU  11  -2.814   8.826   2.517
   74    HG3  GLU  11           HG3      GLU  11  -4.135   9.086   1.380
   75    H    ILE  12           H        ILE  12  -6.539   5.692   2.041
   76    HA   ILE  12           HA       ILE  12  -7.037   4.183   4.510
   77    HB   ILE  12           HB       ILE  12  -9.442   4.711   2.977
   78   HG12  ILE  12          HG12      ILE  12  -8.219   6.851   2.437
   79   HG13  ILE  12          HG13      ILE  12  -9.722   7.074   3.311
   80   HG21  ILE  12          HG21      ILE  12  -9.431   3.834   5.208
   81   HG22  ILE  12          HG22      ILE  12 -10.281   5.379   5.171
   82   HG23  ILE  12          HG23      ILE  12  -8.640   5.290   5.811
   83   HD11  ILE  12          HD11      ILE  12  -6.979   7.180   4.565
   84   HD12  ILE  12          HD12      ILE  12  -8.514   7.554   5.348
   85   HD13  ILE  12          HD13      ILE  12  -7.914   8.585   4.050
   86    H    SER  13           H        SER  13  -6.104   3.625   1.419
   87    HA   SER  13           HA       SER  13  -7.516   1.061   1.354
   88    HB2  SER  13           HB2      SER  13  -7.128   2.862  -1.041
   89    HB3  SER  13           HB3      SER  13  -7.775   1.222  -1.100
   90    HG   SER  13           HG       SER  13  -8.935   3.234   0.510
   91    H    ILE  14           H        ILE  14  -6.341  -0.667   0.949
   92    HA   ILE  14           HA       ILE  14  -3.834  -0.524  -0.488
   93    HB   ILE  14           HB       ILE  14  -2.510  -1.710   1.253
   94   HG12  ILE  14          HG12      ILE  14  -3.492  -1.076   3.692
   95   HG13  ILE  14          HG13      ILE  14  -4.999  -1.396   2.837
   96   HG21  ILE  14          HG21      ILE  14  -3.460   1.023   2.057
   97   HG22  ILE  14          HG22      ILE  14  -2.174   0.648   0.907
   98   HG23  ILE  14          HG23      ILE  14  -1.978   0.244   2.613
   99   HD11  ILE  14          HD11      ILE  14  -2.665  -3.283   3.075
  100   HD12  ILE  14          HD12      ILE  14  -4.167  -3.607   2.211
  101   HD13  ILE  14          HD13      ILE  14  -4.188  -3.389   3.960
  102    HA   PRO  15           HA       PRO  15  -5.363  -4.613  -1.574
  103    HB2  PRO  15           HB2      PRO  15  -3.302  -5.445  -3.121
  104    HB3  PRO  15           HB3      PRO  15  -4.410  -4.168  -3.656
  105    HG2  PRO  15           HG2      PRO  15  -1.679  -3.934  -2.492
  106    HG3  PRO  15           HG3      PRO  15  -2.401  -3.075  -3.870
  107    HD2  PRO  15           HD2      PRO  15  -2.205  -1.988  -1.380
  108    HD3  PRO  15           HD3      PRO  15  -3.479  -1.558  -2.537
  109    HA   PRO  16           HA       PRO  16  -3.312  -7.548   1.141
  110    HB2  PRO  16           HB2      PRO  16  -2.761  -9.698  -0.748
  111    HB3  PRO  16           HB3      PRO  16  -4.032  -9.607   0.484
  112    HG2  PRO  16           HG2      PRO  16  -4.571  -9.552  -2.157
  113    HG3  PRO  16           HG3      PRO  16  -5.558  -8.696  -0.954
  114    HD2  PRO  16           HD2      PRO  16  -3.410  -7.620  -2.738
  115    HD3  PRO  16           HD3      PRO  16  -5.019  -6.947  -2.384
  116    H    CYS  17           H        CYS  17  -1.516  -7.996  -1.924
  117    HA   CYS  17           HA       CYS  17   0.674  -8.388  -2.383
  118    HB2  CYS  17           HB2      CYS  17   1.326  -6.143  -0.500
  119    HB3  CYS  17           HB3      CYS  17   2.083  -6.546  -2.035
  120    H    CYS  18           H        CYS  18   1.280 -10.339  -1.657
  121    HA   CYS  18           HA       CYS  18   2.123 -10.683   1.108
  122    HB2  CYS  18           HB2      CYS  18   1.496 -12.530  -1.147
  123    HB3  CYS  18           HB3      CYS  18   2.555 -13.104   0.136
  124    H    SER  19           H        SER  19   3.529 -10.099  -1.962
  125    HA   SER  19           HA       SER  19   6.208 -10.362  -0.792
  126    HB2  SER  19           HB2      SER  19   5.488 -11.378  -3.553
  127    HB3  SER  19           HB3      SER  19   7.103 -11.365  -2.845
  128    HG   SER  19           HG       SER  19   6.019 -13.406  -2.659
  129    H    ASN  20           H        ASN  20   3.983  -8.691  -2.743
  130    HA   ASN  20           HA       ASN  20   5.962  -7.022  -4.053
  131    HB2  ASN  20           HB2      ASN  20   2.962  -7.204  -4.166
  132    HB3  ASN  20           HB3      ASN  20   3.826  -5.875  -4.924
  133   HD21  ASN  20          HD21      ASN  20   5.077  -9.156  -4.756
  134   HD22  ASN  20          HD22      ASN  20   4.956  -9.485  -6.448
  135    H    PHE  21           H        PHE  21   4.934  -4.543  -4.091
  136    HA   PHE  21           HA       PHE  21   4.942  -3.717  -1.264
  137    HB2  PHE  21           HB2      PHE  21   6.185  -1.707  -1.962
  138    HB3  PHE  21           HB3      PHE  21   7.066  -3.180  -2.330
  139    HD1  PHE  21           HD1      PHE  21   5.013  -0.474  -3.847
  140    HD2  PHE  21           HD2      PHE  21   7.751  -3.659  -4.512
  141    HE1  PHE  21           HE1      PHE  21   5.369   0.310  -6.153
  142    HE2  PHE  21           HE2      PHE  21   8.109  -2.881  -6.817
  143    HZ   PHE  21           HZ       PHE  21   6.919  -0.890  -7.639
  144    H    CYS  22           H        CYS  22   3.804  -1.857  -0.690
  145    HA   CYS  22           HA       CYS  22   1.793  -0.935  -2.635
  146    HB2  CYS  22           HB2      CYS  22   0.598  -2.175  -0.971
  147    HB3  CYS  22           HB3      CYS  22   1.528  -1.453   0.335
  148    H    LEU  23           H        LEU  23   2.289   1.049  -3.255
  149    HA   LEU  23           HA       LEU  23   4.095   2.686  -1.750
  150    HB2  LEU  23           HB2      LEU  23   2.730   2.944  -4.393
  151    HB3  LEU  23           HB3      LEU  23   3.532   4.330  -3.691
  152    HG   LEU  23           HG       LEU  23   4.821   1.691  -4.409
  153   HD11  LEU  23          HD11      LEU  23   5.009   2.571  -6.434
  154   HD12  LEU  23          HD12      LEU  23   6.009   3.850  -5.747
  155   HD13  LEU  23          HD13      LEU  23   4.267   4.077  -5.896
  156   HD21  LEU  23          HD21      LEU  23   5.858   4.101  -2.959
  157   HD22  LEU  23          HD22      LEU  23   6.939   3.191  -4.013
  158   HD23  LEU  23          HD23      LEU  23   6.160   2.390  -2.649
  159    H    ARG  24           H        ARG  24   2.148   2.345  -0.107
  160    HA   ARG  24           HA       ARG  24   0.322   4.623  -0.115
  161    HB2  ARG  24           HB2      ARG  24  -0.111   2.118   0.672
  162    HB3  ARG  24           HB3      ARG  24   0.567   2.704   2.179
  163    HG2  ARG  24           HG2      ARG  24  -1.720   4.148   0.878
  164    HG3  ARG  24           HG3      ARG  24  -2.001   2.704   1.844
  165    HD2  ARG  24           HD2      ARG  24  -2.268   4.372   3.410
  166    HD3  ARG  24           HD3      ARG  24  -0.576   3.944   3.639
  167    HE   ARG  24           HE       ARG  24  -0.513   5.968   1.814
  168   HH11  ARG  24          HH11      ARG  24  -1.860   5.658   5.043
  169   HH12  ARG  24          HH12      ARG  24  -1.668   7.339   5.410
  170   HH21  ARG  24          HH21      ARG  24  -0.286   8.172   2.313
  171   HH22  ARG  24          HH22      ARG  24  -0.779   8.759   3.866
  172    H    TYR  25           H        TYR  25   2.680   5.663  -0.178
  173    HA   TYR  25           HA       TYR  25   4.145   5.938   2.223
  174    HB2  TYR  25           HB2      TYR  25   4.663   6.504  -0.352
  175    HB3  TYR  25           HB3      TYR  25   4.265   8.120   0.220
  176    HD1  TYR  25           HD1      TYR  25   5.730   9.296   1.732
  177    HD2  TYR  25           HD2      TYR  25   6.610   5.306   0.547
  178    HE1  TYR  25           HE1      TYR  25   8.002   9.535   2.637
  179    HE2  TYR  25           HE2      TYR  25   8.885   5.534   1.450
  180    HH   TYR  25           HH       TYR  25  10.486   7.321   1.977
  181    H    ALA  26           H        ALA  26   4.450   7.914   3.480
  182    HA   ALA  26           HA       ALA  26   1.998   9.015   4.408
  183    HB1  ALA  26           HB1      ALA  26   4.810   9.865   5.056
  184    HB2  ALA  26           HB2      ALA  26   3.905   8.592   5.875
  185    HB3  ALA  26           HB3      ALA  26   3.356  10.265   5.972
  186    H    GLY  27           H        GLY  27   4.181   9.992   1.960
  187    HA2  GLY  27           HA2      GLY  27   3.019  12.706   1.893
  188    HA3  GLY  27           HA3      GLY  27   4.587  12.279   1.223
  189    H    GLN  28           H        GLN  28   2.130   9.971   0.685
  190    HA   GLN  28           HA       GLN  28   1.542  11.045  -1.990
  191    HB2  GLN  28           HB2      GLN  28   2.436   8.253  -1.279
  192    HB3  GLN  28           HB3      GLN  28   1.602   8.618  -2.783
  193    HG2  GLN  28           HG2      GLN  28   3.396  10.188  -3.378
  194    HG3  GLN  28           HG3      GLN  28   4.238   9.768  -1.888
  195   HE21  GLN  28          HE21      GLN  28   5.203   7.747  -1.696
  196   HE22  GLN  28          HE22      GLN  28   5.511   6.741  -3.067
  197    H    LYS  29           H        LYS  29  -0.430  10.351  -2.918
  198    HA   LYS  29           HA       LYS  29  -2.359   9.195  -1.013
  199    HB2  LYS  29           HB2      LYS  29  -2.681  11.541  -2.879
  200    HB3  LYS  29           HB3      LYS  29  -4.068  10.669  -2.242
  201    HG2  LYS  29           HG2      LYS  29  -3.345  11.199   0.039
  202    HG3  LYS  29           HG3      LYS  29  -1.970  12.093  -0.614
  203    HD2  LYS  29           HD2      LYS  29  -3.502  13.625  -1.748
  204    HD3  LYS  29           HD3      LYS  29  -4.879  12.725  -1.112
  205    HE2  LYS  29           HE2      LYS  29  -4.173  13.269   1.170
  206    HE3  LYS  29           HE3      LYS  29  -2.803  14.174   0.528
  207    HZ1  LYS  29           HZ1      LYS  29  -4.631  15.636   1.111
  208    HZ2  LYS  29           HZ2      LYS  29  -5.667  14.809   0.060
  209    HZ3  LYS  29           HZ3      LYS  29  -4.353  15.678  -0.558
  210    H    SER  30           H        SER  30  -0.696   8.315  -3.554
  211    HA   SER  30           HA       SER  30  -2.674   6.489  -4.544
  212    HB2  SER  30           HB2      SER  30  -1.546   8.572  -6.444
  213    HB3  SER  30           HB3      SER  30  -2.431   7.131  -6.947
  214    HG   SER  30           HG       SER  30  -3.531   9.348  -6.511
  215    H    GLY  31           H        GLY  31  -1.300   4.897  -3.847
  216    HA2  GLY  31           HA2      GLY  31   1.411   4.799  -4.950
  217    HA3  GLY  31           HA3      GLY  31   0.784   3.785  -3.663
  218    H    THR  32           H        THR  32   1.875   2.047  -5.018
  219    HA   THR  32           HA       THR  32  -0.130   0.821  -6.677
  220    HB   THR  32           HB       THR  32   0.818   2.157  -8.421
  221    HG1  THR  32           HG1      THR  32   1.344  -0.569  -8.394
  222   HG21  THR  32          HG21      THR  32   2.947   2.802  -7.465
  223   HG22  THR  32          HG22      THR  32   3.226   2.050  -9.036
  224   HG23  THR  32          HG23      THR  32   3.532   1.141  -7.557
  225    H    CYS  33           H        CYS  33  -0.201  -1.167  -5.913
  226    HA   CYS  33           HA       CYS  33   2.056  -2.485  -4.767
  227    HB2  CYS  33           HB2      CYS  33  -0.252  -3.018  -4.028
  228    HB3  CYS  33           HB3      CYS  33  -0.573  -3.753  -5.595
  229    H    ALA  34           H        ALA  34   3.643  -3.223  -5.825
  230    HA   ALA  34           HA       ALA  34   3.388  -4.657  -8.342
  231    HB1  ALA  34           HB1      ALA  34   3.768  -2.410  -9.084
  232    HB2  ALA  34           HB2      ALA  34   5.280  -3.301  -9.277
  233    HB3  ALA  34           HB3      ALA  34   5.074  -2.194  -7.920
  234    H    ASN  35           H        ASN  35   5.527  -5.711  -8.894
  235    HA   ASN  35           HA       ASN  35   6.731  -6.690  -6.412
  236    HB2  ASN  35           HB2      ASN  35   7.632  -8.547  -7.946
  237    HB3  ASN  35           HB3      ASN  35   5.911  -8.538  -7.598
  238   HD21  ASN  35          HD21      ASN  35   4.542  -8.612  -9.251
  239   HD22  ASN  35          HD22      ASN  35   4.961  -8.387 -10.913
  240    H    ARG  36           H        ARG  36   8.834  -6.602  -5.939
  241    HA   ARG  36           HA       ARG  36  10.499  -4.845  -7.566
  242    HB2  ARG  36           HB2      ARG  36  10.466  -5.725  -4.747
  243    HB3  ARG  36           HB3      ARG  36  12.062  -5.475  -5.438
  244    HG2  ARG  36           HG2      ARG  36  11.472  -3.197  -6.034
  245    HG3  ARG  36           HG3      ARG  36   9.843  -3.442  -5.405
  246    HD2  ARG  36           HD2      ARG  36  10.765  -3.844  -3.174
  247    HD3  ARG  36           HD3      ARG  36  12.394  -3.598  -3.805
  248    HE   ARG  36           HE       ARG  36  10.876  -1.335  -4.418
  249   HH11  ARG  36          HH11      ARG  36  12.157  -2.919  -1.556
  250   HH12  ARG  36          HH12      ARG  36  12.270  -1.446  -0.652
  251   HH21  ARG  36          HH21      ARG  36  11.634   0.532  -1.591
  252   HH22  ARG  36          HH22      ARG  36  11.033   0.580  -3.214
  Start of MODEL   13
    1    H    PCA   1           H3       PCA   1   1.710 -13.526  -3.601
    2    HA   PCA   1           HA       PCA   1   0.112 -15.551  -5.084
    3    HB2  PCA   1           HB2      PCA   1   0.185 -15.904  -2.266
    4    HB3  PCA   1           HB3      PCA   1   0.905 -16.944  -3.516
    5    HG2  PCA   1           HG2      PCA   1   2.238 -15.234  -1.709
    6    HG3  PCA   1           HG3      PCA   1   2.934 -16.204  -3.020
    7    H    CYS   2           H        CYS   2   0.174 -12.655  -3.244
    8    HA   CYS   2           HA       CYS   2  -2.761 -12.696  -3.005
    9    HB2  CYS   2           HB2      CYS   2  -1.120 -11.244  -0.964
   10    HB3  CYS   2           HB3      CYS   2  -2.747 -11.899  -0.825
   11    H    LYS   3           H        LYS   3   0.051 -11.075  -4.009
   12    HA   LYS   3           HA       LYS   3  -1.011  -8.408  -4.024
   13    HB2  LYS   3           HB2      LYS   3   1.130  -8.303  -5.744
   14    HB3  LYS   3           HB3      LYS   3   1.208  -8.010  -4.023
   15    HG2  LYS   3           HG2      LYS   3   2.960  -9.494  -4.500
   16    HG3  LYS   3           HG3      LYS   3   1.706 -10.483  -3.754
   17    HD2  LYS   3           HD2      LYS   3   1.074 -11.421  -5.829
   18    HD3  LYS   3           HD3      LYS   3   1.975 -10.209  -6.739
   19    HE2  LYS   3           HE2      LYS   3   4.071 -11.132  -5.952
   20    HE3  LYS   3           HE3      LYS   3   3.210 -12.289  -4.938
   21    HZ1  LYS   3           HZ1      LYS   3   3.976 -13.306  -6.989
   22    HZ2  LYS   3           HZ2      LYS   3   3.109 -12.178  -7.905
   23    HZ3  LYS   3           HZ3      LYS   3   2.285 -13.291  -6.934
   24    HA   PRO   4           HA       PRO   4  -2.805  -8.750  -8.116
   25    HB2  PRO   4           HB2      PRO   4  -3.424  -5.991  -8.250
   26    HB3  PRO   4           HB3      PRO   4  -4.453  -7.269  -7.584
   27    HG2  PRO   4           HG2      PRO   4  -3.346  -5.189  -6.119
   28    HG3  PRO   4           HG3      PRO   4  -3.979  -6.701  -5.449
   29    HD2  PRO   4           HD2      PRO   4  -1.143  -5.956  -6.070
   30    HD3  PRO   4           HD3      PRO   4  -1.802  -6.832  -4.671
   31    H    ASN   5           H        ASN   5  -0.114  -6.721  -7.465
   32    HA   ASN   5           HA       ASN   5   1.351  -5.477  -8.668
   33    HB2  ASN   5           HB2      ASN   5   1.802  -6.989 -10.996
   34    HB3  ASN   5           HB3      ASN   5   2.728  -7.019  -9.505
   35   HD21  ASN   5          HD21      ASN   5   2.416  -8.690  -8.046
   36   HD22  ASN   5          HD22      ASN   5   1.604 -10.152  -8.480
   37    H    GLY   6           H        GLY   6   0.394  -3.654  -9.199
   38    HA2  GLY   6           HA2      GLY   6   0.212  -2.211 -11.193
   39    HA3  GLY   6           HA3      GLY   6  -0.817  -3.457 -11.886
   40    H    ALA   7           H        ALA   7  -1.267  -2.973  -8.536
   41    HA   ALA   7           HA       ALA   7  -3.849  -1.679  -9.036
   42    HB1  ALA   7           HB1      ALA   7  -2.791  -3.055  -6.569
   43    HB2  ALA   7           HB2      ALA   7  -3.882  -3.753  -7.769
   44    HB3  ALA   7           HB3      ALA   7  -4.420  -2.409  -6.764
   45    H    LYS   8           H        LYS   8  -4.552  -0.207  -7.046
   46    HA   LYS   8           HA       LYS   8  -2.375   1.725  -6.617
   47    HB2  LYS   8           HB2      LYS   8  -5.151   2.008  -7.464
   48    HB3  LYS   8           HB3      LYS   8  -4.714   3.099  -6.156
   49    HG2  LYS   8           HG2      LYS   8  -3.245   4.275  -7.438
   50    HG3  LYS   8           HG3      LYS   8  -2.863   2.891  -8.465
   51    HD2  LYS   8           HD2      LYS   8  -4.978   3.077  -9.594
   52    HD3  LYS   8           HD3      LYS   8  -5.495   4.356  -8.494
   53    HE2  LYS   8           HE2      LYS   8  -3.697   5.795  -9.329
   54    HE3  LYS   8           HE3      LYS   8  -3.180   4.514 -10.423
   55    HZ1  LYS   8           HZ1      LYS   8  -5.817   5.878 -10.482
   56    HZ2  LYS   8           HZ2      LYS   8  -5.324   4.648 -11.532
   57    HZ3  LYS   8           HZ3      LYS   8  -4.542   6.148 -11.561
   58    H    CYS   9           H        CYS   9  -2.114   2.744  -4.706
   59    HA   CYS   9           HA       CYS   9  -3.489   1.620  -2.332
   60    HB2  CYS   9           HB2      CYS   9  -0.643   2.571  -2.731
   61    HB3  CYS   9           HB3      CYS   9  -1.340   2.304  -1.142
   62    H    THR  10           H        THR  10  -3.957   3.078  -0.637
   63    HA   THR  10           HA       THR  10  -3.514   5.922  -1.046
   64    HB   THR  10           HB       THR  10  -6.023   6.321  -0.503
   65    HG1  THR  10           HG1      THR  10  -5.961   3.625  -1.001
   66   HG21  THR  10          HG21      THR  10  -5.164   5.383  -3.242
   67   HG22  THR  10          HG22      THR  10  -4.957   7.008  -2.588
   68   HG23  THR  10          HG23      THR  10  -6.576   6.381  -2.894
   69    H    GLU  11           H        GLU  11  -4.292   7.214   0.827
   70    HA   GLU  11           HA       GLU  11  -3.228   6.330   3.238
   71    HB2  GLU  11           HB2      GLU  11  -5.365   8.445   3.022
   72    HB3  GLU  11           HB3      GLU  11  -4.104   8.318   4.237
   73    HG2  GLU  11           HG2      GLU  11  -2.448   8.661   2.375
   74    HG3  GLU  11           HG3      GLU  11  -3.824   9.063   1.348
   75    H    ILE  12           H        ILE  12  -6.331   5.705   1.943
   76    HA   ILE  12           HA       ILE  12  -7.244   4.632   4.518
   77    HB   ILE  12           HB       ILE  12  -9.371   4.970   2.578
   78   HG12  ILE  12          HG12      ILE  12  -7.985   6.971   1.922
   79   HG13  ILE  12          HG13      ILE  12  -9.585   7.365   2.522
   80   HG21  ILE  12          HG21      ILE  12 -10.497   5.983   4.494
   81   HG22  ILE  12          HG22      ILE  12  -8.975   5.954   5.385
   82   HG23  ILE  12          HG23      ILE  12  -9.735   4.442   4.889
   83   HD11  ILE  12          HD11      ILE  12  -8.703   8.199   4.565
   84   HD12  ILE  12          HD12      ILE  12  -7.719   8.877   3.269
   85   HD13  ILE  12          HD13      ILE  12  -7.107   7.530   4.228
   86    H    SER  13           H        SER  13  -6.288   3.724   1.360
   87    HA   SER  13           HA       SER  13  -7.490   1.092   1.796
   88    HB2  SER  13           HB2      SER  13  -7.509   2.547  -0.852
   89    HB3  SER  13           HB3      SER  13  -8.015   0.875  -0.612
   90    HG   SER  13           HG       SER  13  -9.204   2.733   1.055
   91    H    ILE  14           H        ILE  14  -6.396  -0.666   1.111
   92    HA   ILE  14           HA       ILE  14  -3.918  -0.434  -0.351
   93    HB   ILE  14           HB       ILE  14  -2.572  -1.683   1.356
   94   HG12  ILE  14          HG12      ILE  14  -3.494  -1.025   3.808
   95   HG13  ILE  14          HG13      ILE  14  -5.026  -1.297   2.983
   96   HG21  ILE  14          HG21      ILE  14  -1.976   0.269   2.686
   97   HG22  ILE  14          HG22      ILE  14  -3.462   1.067   2.167
   98   HG23  ILE  14          HG23      ILE  14  -2.213   0.673   0.984
   99   HD11  ILE  14          HD11      ILE  14  -4.251  -3.313   4.096
  100   HD12  ILE  14          HD12      ILE  14  -2.751  -3.259   3.172
  101   HD13  ILE  14          HD13      ILE  14  -4.285  -3.534   2.346
  102    HA   PRO  15           HA       PRO  15  -5.341  -4.518  -1.578
  103    HB2  PRO  15           HB2      PRO  15  -3.180  -5.285  -3.037
  104    HB3  PRO  15           HB3      PRO  15  -4.305  -4.039  -3.609
  105    HG2  PRO  15           HG2      PRO  15  -1.635  -3.724  -2.326
  106    HG3  PRO  15           HG3      PRO  15  -2.334  -2.868  -3.717
  107    HD2  PRO  15           HD2      PRO  15  -2.261  -1.815  -1.221
  108    HD3  PRO  15           HD3      PRO  15  -3.521  -1.422  -2.409
  109    HA   PRO  16           HA       PRO  16  -3.373  -7.485   1.167
  110    HB2  PRO  16           HB2      PRO  16  -2.947  -9.649  -0.736
  111    HB3  PRO  16           HB3      PRO  16  -4.194  -9.510   0.513
  112    HG2  PRO  16           HG2      PRO  16  -4.763  -9.424  -2.122
  113    HG3  PRO  16           HG3      PRO  16  -5.705  -8.543  -0.901
  114    HD2  PRO  16           HD2      PRO  16  -3.549  -7.524  -2.713
  115    HD3  PRO  16           HD3      PRO  16  -5.125  -6.798  -2.322
  116    H    CYS  17           H        CYS  17  -1.679  -8.136  -1.917
  117    HA   CYS  17           HA       CYS  17   0.473  -8.565  -2.436
  118    HB2  CYS  17           HB2      CYS  17   1.247  -6.265  -0.667
  119    HB3  CYS  17           HB3      CYS  17   1.935  -6.742  -2.215
  120    H    CYS  18           H        CYS  18   1.259 -10.401  -1.798
  121    HA   CYS  18           HA       CYS  18   2.205 -10.721   0.953
  122    HB2  CYS  18           HB2      CYS  18   1.431 -12.630  -1.217
  123    HB3  CYS  18           HB3      CYS  18   2.519 -13.171   0.058
  124    H    SER  19           H        SER  19   3.390 -10.087  -2.181
  125    HA   SER  19           HA       SER  19   6.132 -10.492  -1.229
  126    HB2  SER  19           HB2      SER  19   5.132 -11.426  -3.924
  127    HB3  SER  19           HB3      SER  19   6.824 -11.398  -3.432
  128    HG   SER  19           HG       SER  19   6.440 -12.986  -1.980
  129    H    ASN  20           H        ASN  20   3.876  -8.704  -3.109
  130    HA   ASN  20           HA       ASN  20   5.891  -7.018  -4.349
  131    HB2  ASN  20           HB2      ASN  20   2.876  -6.993  -4.436
  132    HB3  ASN  20           HB3      ASN  20   3.862  -5.780  -5.230
  133   HD21  ASN  20          HD21      ASN  20   3.078  -6.349  -7.250
  134   HD22  ASN  20          HD22      ASN  20   3.562  -7.801  -8.053
  135    H    PHE  21           H        PHE  21   4.852  -4.496  -4.255
  136    HA   PHE  21           HA       PHE  21   4.918  -3.825  -1.388
  137    HB2  PHE  21           HB2      PHE  21   6.151  -1.782  -1.971
  138    HB3  PHE  21           HB3      PHE  21   7.024  -3.218  -2.470
  139    HD1  PHE  21           HD1      PHE  21   7.862  -3.360  -4.613
  140    HD2  PHE  21           HD2      PHE  21   4.769  -0.546  -3.822
  141    HE1  PHE  21           HE1      PHE  21   8.183  -2.394  -6.846
  142    HE2  PHE  21           HE2      PHE  21   5.082   0.420  -6.065
  143    HZ   PHE  21           HZ       PHE  21   6.792  -0.500  -7.577
  144    H    CYS  22           H        CYS  22   3.802  -1.964  -0.703
  145    HA   CYS  22           HA       CYS  22   1.722  -1.005  -2.557
  146    HB2  CYS  22           HB2      CYS  22   0.648  -2.342  -0.846
  147    HB3  CYS  22           HB3      CYS  22   1.533  -1.510   0.425
  148    H    LEU  23           H        LEU  23   2.236   0.964  -3.158
  149    HA   LEU  23           HA       LEU  23   4.038   2.594  -1.651
  150    HB2  LEU  23           HB2      LEU  23   2.709   2.771  -4.302
  151    HB3  LEU  23           HB3      LEU  23   3.365   4.238  -3.611
  152    HG   LEU  23           HG       LEU  23   4.922   1.707  -4.195
  153   HD11  LEU  23          HD11      LEU  23   4.620   4.315  -5.641
  154   HD12  LEU  23          HD12      LEU  23   4.456   2.672  -6.260
  155   HD13  LEU  23          HD13      LEU  23   6.048   3.302  -5.847
  156   HD21  LEU  23          HD21      LEU  23   5.675   4.293  -2.879
  157   HD22  LEU  23          HD22      LEU  23   6.862   3.446  -3.869
  158   HD23  LEU  23          HD23      LEU  23   6.153   2.644  -2.468
  159    H    ARG  24           H        ARG  24   2.220   2.314   0.073
  160    HA   ARG  24           HA       ARG  24   0.351   4.564   0.062
  161    HB2  ARG  24           HB2      ARG  24  -0.067   2.066   0.872
  162    HB3  ARG  24           HB3      ARG  24   0.645   2.656   2.360
  163    HG2  ARG  24           HG2      ARG  24  -1.669   4.092   1.100
  164    HG3  ARG  24           HG3      ARG  24  -1.926   2.659   2.087
  165    HD2  ARG  24           HD2      ARG  24  -2.157   4.341   3.644
  166    HD3  ARG  24           HD3      ARG  24  -0.457   3.921   3.833
  167    HE   ARG  24           HE       ARG  24  -0.465   5.928   1.980
  168   HH11  ARG  24          HH11      ARG  24  -1.666   5.640   5.268
  169   HH12  ARG  24          HH12      ARG  24  -1.457   7.324   5.614
  170   HH21  ARG  24          HH21      ARG  24  -0.210   8.133   2.454
  171   HH22  ARG  24          HH22      ARG  24  -0.635   8.732   4.023
  172    H    TYR  25           H        TYR  25   2.701   5.618  -0.048
  173    HA   TYR  25           HA       TYR  25   4.141   5.923   2.389
  174    HB2  TYR  25           HB2      TYR  25   4.801   6.308  -0.169
  175    HB3  TYR  25           HB3      TYR  25   4.376   7.966   0.240
  176    HD1  TYR  25           HD1      TYR  25   5.751   9.264   1.749
  177    HD2  TYR  25           HD2      TYR  25   6.707   5.206   0.902
  178    HE1  TYR  25           HE1      TYR  25   7.973   9.586   2.749
  179    HE2  TYR  25           HE2      TYR  25   8.932   5.516   1.901
  180    HH   TYR  25           HH       TYR  25  10.498   7.351   2.377
  181    H    ALA  26           H        ALA  26   4.504   8.028   3.478
  182    HA   ALA  26           HA       ALA  26   2.076   9.193   4.362
  183    HB1  ALA  26           HB1      ALA  26   4.889  10.158   4.812
  184    HB2  ALA  26           HB2      ALA  26   4.047   8.955   5.789
  185    HB3  ALA  26           HB3      ALA  26   3.462  10.619   5.740
  186    H    GLY  27           H        GLY  27   4.167   9.969   1.764
  187    HA2  GLY  27           HA2      GLY  27   2.976  12.650   1.469
  188    HA3  GLY  27           HA3      GLY  27   4.491  12.136   0.741
  189    H    GLN  28           H        GLN  28   2.747   9.508   0.276
  190    HA   GLN  28           HA       GLN  28   1.863  10.336  -2.391
  191    HB2  GLN  28           HB2      GLN  28   2.449   7.631  -1.187
  192    HB3  GLN  28           HB3      GLN  28   1.694   7.826  -2.763
  193    HG2  GLN  28           HG2      GLN  28   3.657   9.054  -3.551
  194    HG3  GLN  28           HG3      GLN  28   4.415   8.850  -1.973
  195   HE21  GLN  28          HE21      GLN  28   3.456   7.286  -4.921
  196   HE22  GLN  28          HE22      GLN  28   4.359   5.833  -4.685
  197    H    LYS  29           H        LYS  29  -0.200  10.415  -2.963
  198    HA   LYS  29           HA       LYS  29  -2.231   9.534  -1.035
  199    HB2  LYS  29           HB2      LYS  29  -1.948  11.978  -2.050
  200    HB3  LYS  29           HB3      LYS  29  -2.895  11.286  -3.360
  201    HG2  LYS  29           HG2      LYS  29  -4.651  10.685  -1.766
  202    HG3  LYS  29           HG3      LYS  29  -3.701  11.397  -0.460
  203    HD2  LYS  29           HD2      LYS  29  -3.817  13.577  -1.560
  204    HD3  LYS  29           HD3      LYS  29  -4.747  12.868  -2.881
  205    HE2  LYS  29           HE2      LYS  29  -5.654  12.784  -0.013
  206    HE3  LYS  29           HE3      LYS  29  -6.066  14.106  -1.104
  207    HZ1  LYS  29           HZ1      LYS  29  -7.134  12.506  -2.573
  208    HZ2  LYS  29           HZ2      LYS  29  -7.819  12.452  -1.027
  209    HZ3  LYS  29           HZ3      LYS  29  -6.742  11.242  -1.518
  210    H    SER  30           H        SER  30  -0.729   8.255  -3.595
  211    HA   SER  30           HA       SER  30  -2.781   6.407  -4.234
  212    HB2  SER  30           HB2      SER  30  -2.898   6.910  -6.699
  213    HB3  SER  30           HB3      SER  30  -3.665   8.133  -5.689
  214    HG   SER  30           HG       SER  30  -2.199   8.875  -7.430
  215    H    GLY  31           H        GLY  31  -1.211   4.954  -3.612
  216    HA2  GLY  31           HA2      GLY  31   1.316   4.862  -5.064
  217    HA3  GLY  31           HA3      GLY  31   0.867   3.867  -3.689
  218    H    THR  32           H        THR  32   1.837   2.119  -5.069
  219    HA   THR  32           HA       THR  32  -0.279   0.806  -6.519
  220    HB   THR  32           HB       THR  32   0.591   2.085  -8.363
  221    HG1  THR  32           HG1      THR  32   1.209  -0.663  -8.309
  222   HG21  THR  32          HG21      THR  32   3.001   1.676  -9.122
  223   HG22  THR  32          HG22      THR  32   3.297   1.087  -7.485
  224   HG23  THR  32          HG23      THR  32   2.767   2.750  -7.743
  225    H    CYS  33           H        CYS  33  -0.283  -1.245  -6.006
  226    HA   CYS  33           HA       CYS  33   1.970  -2.500  -4.754
  227    HB2  CYS  33           HB2      CYS  33  -0.318  -3.105  -4.073
  228    HB3  CYS  33           HB3      CYS  33  -0.620  -3.784  -5.667
  229    H    ALA  34           H        ALA  34   3.622  -3.120  -5.799
  230    HA   ALA  34           HA       ALA  34   3.464  -4.536  -8.342
  231    HB1  ALA  34           HB1      ALA  34   3.721  -2.210  -8.973
  232    HB2  ALA  34           HB2      ALA  34   5.216  -3.085  -9.306
  233    HB3  ALA  34           HB3      ALA  34   5.099  -2.044  -7.887
  234    H    ASN  35           H        ASN  35   5.659  -5.476  -8.922
  235    HA   ASN  35           HA       ASN  35   6.801  -6.702  -6.575
  236    HB2  ASN  35           HB2      ASN  35   7.239  -7.043  -9.533
  237    HB3  ASN  35           HB3      ASN  35   8.303  -7.817  -8.365
  238   HD21  ASN  35          HD21      ASN  35   5.160  -7.780  -9.793
  239   HD22  ASN  35          HD22      ASN  35   4.592  -9.252  -9.091
  240    H    ARG  36           H        ARG  36   8.934  -6.656  -5.893
  241    HA   ARG  36           HA       ARG  36  10.291  -4.131  -6.282
  242    HB2  ARG  36           HB2      ARG  36  10.792  -6.499  -4.487
  243    HB3  ARG  36           HB3      ARG  36  11.922  -5.158  -4.591
  244    HG2  ARG  36           HG2      ARG  36  10.062  -3.635  -3.924
  245    HG3  ARG  36           HG3      ARG  36   9.064  -5.067  -3.657
  246    HD2  ARG  36           HD2      ARG  36  10.657  -5.880  -2.000
  247    HD3  ARG  36           HD3      ARG  36  11.683  -4.474  -2.282
  248    HE   ARG  36           HE       ARG  36   8.998  -3.804  -1.505
  249   HH11  ARG  36          HH11      ARG  36  12.187  -4.611  -0.276
  250   HH12  ARG  36          HH12      ARG  36  11.919  -3.838   1.251
  251   HH21  ARG  36          HH21      ARG  36   9.930  -2.813   1.689
  252   HH22  ARG  36          HH22      ARG  36   8.671  -2.798   0.500
  Start of MODEL   14
    1    H    PCA   1           H3       PCA   1   1.685 -13.673  -2.717
    2    HA   PCA   1           HA       PCA   1   0.572 -15.327  -4.927
    3    HB2  PCA   1           HB2      PCA   1  -0.140 -16.071  -2.251
    4    HB3  PCA   1           HB3      PCA   1   0.798 -16.994  -3.447
    5    HG2  PCA   1           HG2      PCA   1   1.733 -15.537  -1.165
    6    HG3  PCA   1           HG3      PCA   1   2.636 -16.582  -2.277
    7    H    CYS   2           H        CYS   2   0.065 -12.665  -2.854
    8    HA   CYS   2           HA       CYS   2  -2.834 -12.791  -3.347
    9    HB2  CYS   2           HB2      CYS   2  -3.273 -11.780  -1.194
   10    HB3  CYS   2           HB3      CYS   2  -2.305 -13.231  -0.968
   11    H    LYS   3           H        LYS   3  -0.046 -11.147  -4.040
   12    HA   LYS   3           HA       LYS   3  -1.028  -8.454  -4.000
   13    HB2  LYS   3           HB2      LYS   3   1.121  -8.474  -5.785
   14    HB3  LYS   3           HB3      LYS   3   1.173  -8.024  -4.097
   15    HG2  LYS   3           HG2      LYS   3   2.907  -9.567  -4.380
   16    HG3  LYS   3           HG3      LYS   3   1.614 -10.483  -3.606
   17    HD2  LYS   3           HD2      LYS   3   1.054 -11.588  -5.612
   18    HD3  LYS   3           HD3      LYS   3   1.972 -10.446  -6.593
   19    HE2  LYS   3           HE2      LYS   3   4.049 -11.298  -5.732
   20    HE3  LYS   3           HE3      LYS   3   3.195 -12.340  -4.593
   21    HZ1  LYS   3           HZ1      LYS   3   3.960 -13.575  -6.518
   22    HZ2  LYS   3           HZ2      LYS   3   3.091 -12.559  -7.553
   23    HZ3  LYS   3           HZ3      LYS   3   2.269 -13.558  -6.465
   24    HA   PRO   4           HA       PRO   4  -2.910  -8.716  -8.064
   25    HB2  PRO   4           HB2      PRO   4  -3.461  -5.940  -8.189
   26    HB3  PRO   4           HB3      PRO   4  -4.517  -7.197  -7.527
   27    HG2  PRO   4           HG2      PRO   4  -3.361  -5.153  -6.055
   28    HG3  PRO   4           HG3      PRO   4  -4.018  -6.658  -5.390
   29    HD2  PRO   4           HD2      PRO   4  -1.172  -5.957  -6.019
   30    HD3  PRO   4           HD3      PRO   4  -1.840  -6.836  -4.626
   31    H    ASN   5           H        ASN   5  -0.173  -6.736  -7.457
   32    HA   ASN   5           HA       ASN   5   1.305  -5.541  -8.688
   33    HB2  ASN   5           HB2      ASN   5   1.664  -7.098 -11.015
   34    HB3  ASN   5           HB3      ASN   5   2.641  -7.099  -9.557
   35   HD21  ASN   5          HD21      ASN   5   2.345  -8.721  -8.031
   36   HD22  ASN   5          HD22      ASN   5   1.507 -10.186  -8.398
   37    H    GLY   6           H        GLY   6   0.423  -3.690  -9.232
   38    HA2  GLY   6           HA2      GLY   6   0.240  -2.242 -11.207
   39    HA3  GLY   6           HA3      GLY   6  -0.801  -3.471 -11.913
   40    H    ALA   7           H        ALA   7  -1.270  -3.004  -8.567
   41    HA   ALA   7           HA       ALA   7  -3.836  -1.684  -9.064
   42    HB1  ALA   7           HB1      ALA   7  -2.764  -3.053  -6.599
   43    HB2  ALA   7           HB2      ALA   7  -3.892  -3.736  -7.772
   44    HB3  ALA   7           HB3      ALA   7  -4.384  -2.376  -6.765
   45    H    LYS   8           H        LYS   8  -4.511  -0.194  -7.069
   46    HA   LYS   8           HA       LYS   8  -2.310   1.702  -6.646
   47    HB2  LYS   8           HB2      LYS   8  -4.998   2.050  -7.658
   48    HB3  LYS   8           HB3      LYS   8  -4.707   3.080  -6.264
   49    HG2  LYS   8           HG2      LYS   8  -4.007   4.463  -7.921
   50    HG3  LYS   8           HG3      LYS   8  -2.488   3.640  -7.573
   51    HD2  LYS   8           HD2      LYS   8  -2.897   2.100  -9.432
   52    HD3  LYS   8           HD3      LYS   8  -4.426   2.912  -9.772
   53    HE2  LYS   8           HE2      LYS   8  -3.213   4.990 -10.232
   54    HE3  LYS   8           HE3      LYS   8  -1.688   4.169  -9.903
   55    HZ1  LYS   8           HZ1      LYS   8  -3.590   3.477 -12.076
   56    HZ2  LYS   8           HZ2      LYS   8  -2.129   2.686 -11.761
   57    HZ3  LYS   8           HZ3      LYS   8  -2.124   4.299 -12.272
   58    H    CYS   9           H        CYS   9  -2.022   2.678  -4.732
   59    HA   CYS   9           HA       CYS   9  -3.511   1.637  -2.387
   60    HB2  CYS   9           HB2      CYS   9  -0.650   2.591  -2.679
   61    HB3  CYS   9           HB3      CYS   9  -1.413   2.283  -1.131
   62    H    THR  10           H        THR  10  -3.912   3.136  -0.680
   63    HA   THR  10           HA       THR  10  -3.495   5.976  -1.170
   64    HB   THR  10           HB       THR  10  -5.975   6.394  -0.586
   65    HG1  THR  10           HG1      THR  10  -5.953   3.705  -0.745
   66   HG21  THR  10          HG21      THR  10  -5.006   6.935  -2.762
   67   HG22  THR  10          HG22      THR  10  -6.641   6.298  -2.947
   68   HG23  THR  10          HG23      THR  10  -5.249   5.272  -3.295
   69    H    GLU  11           H        GLU  11  -4.162   7.306   0.729
   70    HA   GLU  11           HA       GLU  11  -3.191   6.184   3.128
   71    HB2  GLU  11           HB2      GLU  11  -3.881   8.344   4.185
   72    HB3  GLU  11           HB3      GLU  11  -2.861   8.520   2.769
   73    HG2  GLU  11           HG2      GLU  11  -4.907   9.017   1.435
   74    HG3  GLU  11           HG3      GLU  11  -5.833   8.984   2.935
   75    H    ILE  12           H        ILE  12  -6.056   5.542   1.757
   76    HA   ILE  12           HA       ILE  12  -7.381   5.038   4.309
   77    HB   ILE  12           HB       ILE  12  -9.452   4.961   2.688
   78   HG12  ILE  12          HG12      ILE  12  -8.025   5.651   0.699
   79   HG13  ILE  12          HG13      ILE  12  -9.522   6.534   0.930
   80   HG21  ILE  12          HG21      ILE  12  -8.383   7.450   3.978
   81   HG22  ILE  12          HG22      ILE  12  -9.388   6.209   4.724
   82   HG23  ILE  12          HG23      ILE  12 -10.049   7.228   3.446
   83   HD11  ILE  12          HD11      ILE  12  -8.141   8.357   2.001
   84   HD12  ILE  12          HD12      ILE  12  -7.881   8.101   0.276
   85   HD13  ILE  12          HD13      ILE  12  -6.715   7.481   1.444
   86    H    SER  13           H        SER  13  -6.416   3.770   1.202
   87    HA   SER  13           HA       SER  13  -7.360   1.138   2.052
   88    HB2  SER  13           HB2      SER  13  -7.789   2.275  -0.717
   89    HB3  SER  13           HB3      SER  13  -8.134   0.612  -0.241
   90    HG   SER  13           HG       SER  13  -9.811   2.521  -0.138
   91    H    ILE  14           H        ILE  14  -6.345  -0.652   1.147
   92    HA   ILE  14           HA       ILE  14  -3.948  -0.355  -0.424
   93    HB   ILE  14           HB       ILE  14  -2.505  -1.590   1.240
   94   HG12  ILE  14          HG12      ILE  14  -3.316  -0.873   3.714
   95   HG13  ILE  14          HG13      ILE  14  -4.886  -1.158   2.968
   96   HG21  ILE  14          HG21      ILE  14  -3.375   1.176   2.018
   97   HG22  ILE  14          HG22      ILE  14  -2.170   0.758   0.798
   98   HG23  ILE  14          HG23      ILE  14  -1.867   0.400   2.499
   99   HD11  ILE  14          HD11      ILE  14  -4.073  -3.150   4.093
  100   HD12  ILE  14          HD12      ILE  14  -2.612  -3.127   3.105
  101   HD13  ILE  14          HD13      ILE  14  -4.180  -3.415   2.352
  102    HA   PRO  15           HA       PRO  15  -5.321  -4.478  -1.583
  103    HB2  PRO  15           HB2      PRO  15  -3.165  -5.252  -3.048
  104    HB3  PRO  15           HB3      PRO  15  -4.307  -4.027  -3.630
  105    HG2  PRO  15           HG2      PRO  15  -1.632  -3.663  -2.368
  106    HG3  PRO  15           HG3      PRO  15  -2.344  -2.843  -3.776
  107    HD2  PRO  15           HD2      PRO  15  -2.276  -1.726  -1.312
  108    HD3  PRO  15           HD3      PRO  15  -3.560  -1.391  -2.490
  109    HA   PRO  16           HA       PRO  16  -3.317  -7.398   1.180
  110    HB2  PRO  16           HB2      PRO  16  -2.879  -9.587  -0.687
  111    HB3  PRO  16           HB3      PRO  16  -4.130  -9.433   0.558
  112    HG2  PRO  16           HG2      PRO  16  -4.687  -9.393  -2.085
  113    HG3  PRO  16           HG3      PRO  16  -5.647  -8.516  -0.877
  114    HD2  PRO  16           HD2      PRO  16  -3.513  -7.478  -2.701
  115    HD3  PRO  16           HD3      PRO  16  -5.095  -6.770  -2.304
  116    H    CYS  17           H        CYS  17  -1.627  -8.024  -1.914
  117    HA   CYS  17           HA       CYS  17   0.531  -8.451  -2.433
  118    HB2  CYS  17           HB2      CYS  17   1.302  -6.175  -0.635
  119    HB3  CYS  17           HB3      CYS  17   1.994  -6.635  -2.186
  120    H    CYS  18           H        CYS  18   1.260 -10.320  -1.785
  121    HA   CYS  18           HA       CYS  18   2.139 -10.696   0.973
  122    HB2  CYS  18           HB2      CYS  18   1.658 -12.608  -1.305
  123    HB3  CYS  18           HB3      CYS  18   2.411 -13.108   0.204
  124    H    SER  19           H        SER  19   3.413 -10.143  -2.171
  125    HA   SER  19           HA       SER  19   6.133 -10.448  -1.109
  126    HB2  SER  19           HB2      SER  19   5.229 -11.525  -3.784
  127    HB3  SER  19           HB3      SER  19   6.905 -11.445  -3.247
  128    HG   SER  19           HG       SER  19   5.554 -13.477  -2.913
  129    H    ASN  20           H        ASN  20   3.894  -8.732  -3.041
  130    HA   ASN  20           HA       ASN  20   5.900  -7.098  -4.362
  131    HB2  ASN  20           HB2      ASN  20   2.884  -7.066  -4.399
  132    HB3  ASN  20           HB3      ASN  20   3.857  -5.873  -5.238
  133   HD21  ASN  20          HD21      ASN  20   3.063  -6.476  -7.235
  134   HD22  ASN  20          HD22      ASN  20   3.522  -7.949  -8.011
  135    H    PHE  21           H        PHE  21   4.884  -4.567  -4.315
  136    HA   PHE  21           HA       PHE  21   4.989  -3.827  -1.465
  137    HB2  PHE  21           HB2      PHE  21   6.221  -1.800  -2.122
  138    HB3  PHE  21           HB3      PHE  21   7.086  -3.258  -2.572
  139    HD1  PHE  21           HD1      PHE  21   7.888  -3.501  -4.719
  140    HD2  PHE  21           HD2      PHE  21   4.844  -0.614  -4.007
  141    HE1  PHE  21           HE1      PHE  21   8.199  -2.628  -6.992
  142    HE2  PHE  21           HE2      PHE  21   5.147   0.256  -6.289
  143    HZ   PHE  21           HZ       PHE  21   6.826  -0.746  -7.781
  144    H    CYS  22           H        CYS  22   3.893  -1.942  -0.815
  145    HA   CYS  22           HA       CYS  22   1.800  -1.009  -2.667
  146    HB2  CYS  22           HB2      CYS  22   0.712  -2.289  -0.943
  147    HB3  CYS  22           HB3      CYS  22   1.653  -1.504   0.316
  148    H    LEU  23           H        LEU  23   2.246   0.983  -3.288
  149    HA   LEU  23           HA       LEU  23   4.116   2.613  -1.854
  150    HB2  LEU  23           HB2      LEU  23   2.659   2.858  -4.442
  151    HB3  LEU  23           HB3      LEU  23   3.448   4.264  -3.768
  152    HG   LEU  23           HG       LEU  23   4.787   1.654  -4.508
  153   HD11  LEU  23          HD11      LEU  23   4.056   3.935  -6.037
  154   HD12  LEU  23          HD12      LEU  23   4.958   2.508  -6.547
  155   HD13  LEU  23          HD13      LEU  23   5.812   3.904  -5.893
  156   HD21  LEU  23          HD21      LEU  23   5.797   4.119  -3.132
  157   HD22  LEU  23          HD22      LEU  23   6.867   3.227  -4.212
  158   HD23  LEU  23          HD23      LEU  23   6.166   2.424  -2.809
  159    H    ARG  24           H        ARG  24   2.270   2.291  -0.114
  160    HA   ARG  24           HA       ARG  24   0.499   4.619  -0.034
  161    HB2  ARG  24           HB2      ARG  24  -0.036   2.118   0.678
  162    HB3  ARG  24           HB3      ARG  24   0.722   2.605   2.181
  163    HG2  ARG  24           HG2      ARG  24  -1.548   4.186   1.012
  164    HG3  ARG  24           HG3      ARG  24  -1.840   2.740   1.972
  165    HD2  ARG  24           HD2      ARG  24  -1.955   4.369   3.589
  166    HD3  ARG  24           HD3      ARG  24  -0.258   3.914   3.697
  167    HE   ARG  24           HE       ARG  24  -0.228   5.950   1.920
  168   HH11  ARG  24          HH11      ARG  24  -1.577   5.666   5.150
  169   HH12  ARG  24          HH12      ARG  24  -1.378   7.350   5.506
  170   HH21  ARG  24          HH21      ARG  24   0.017   8.152   2.405
  171   HH22  ARG  24          HH22      ARG  24  -0.477   8.755   3.953
  172    H    TYR  25           H        TYR  25   2.892   5.554  -0.131
  173    HA   TYR  25           HA       TYR  25   4.443   5.684   2.231
  174    HB2  TYR  25           HB2      TYR  25   4.953   6.277  -0.316
  175    HB3  TYR  25           HB3      TYR  25   4.560   7.899   0.245
  176    HD1  TYR  25           HD1      TYR  25   6.940   5.123   0.497
  177    HD2  TYR  25           HD2      TYR  25   5.999   9.056   1.818
  178    HE1  TYR  25           HE1      TYR  25   9.222   5.366   1.380
  179    HE2  TYR  25           HE2      TYR  25   8.279   9.311   2.705
  180    HH   TYR  25           HH       TYR  25  10.127   7.880   3.469
  181    H    ALA  26           H        ALA  26   4.919   7.654   3.476
  182    HA   ALA  26           HA       ALA  26   2.501   8.961   4.355
  183    HB1  ALA  26           HB1      ALA  26   3.892   9.916   6.108
  184    HB2  ALA  26           HB2      ALA  26   5.337   9.294   5.312
  185    HB3  ALA  26           HB3      ALA  26   4.146   8.175   5.977
  186    H    GLY  27           H        GLY  27   1.959  10.131   2.516
  187    HA2  GLY  27           HA2      GLY  27   2.189  12.733   2.302
  188    HA3  GLY  27           HA3      GLY  27   3.743  12.271   1.620
  189    H    GLN  28           H        GLN  28   2.296   9.755   0.626
  190    HA   GLN  28           HA       GLN  28   1.444  10.889  -1.923
  191    HB2  GLN  28           HB2      GLN  28   2.277   8.156  -1.003
  192    HB3  GLN  28           HB3      GLN  28   1.398   8.350  -2.513
  193    HG2  GLN  28           HG2      GLN  28   3.178   9.979  -3.218
  194    HG3  GLN  28           HG3      GLN  28   4.086   9.486  -1.790
  195   HE21  GLN  28          HE21      GLN  28   4.972   7.424  -1.703
  196   HE22  GLN  28          HE22      GLN  28   5.143   6.433  -3.108
  197    H    LYS  29           H        LYS  29  -0.489  10.214  -2.969
  198    HA   LYS  29           HA       LYS  29  -2.586   9.217  -1.157
  199    HB2  LYS  29           HB2      LYS  29  -2.684  11.537  -3.078
  200    HB3  LYS  29           HB3      LYS  29  -4.147  10.740  -2.517
  201    HG2  LYS  29           HG2      LYS  29  -3.537  11.275  -0.201
  202    HG3  LYS  29           HG3      LYS  29  -2.094  12.104  -0.785
  203    HD2  LYS  29           HD2      LYS  29  -3.494  13.677  -2.025
  204    HD3  LYS  29           HD3      LYS  29  -4.941  12.837  -1.467
  205    HE2  LYS  29           HE2      LYS  29  -4.356  13.385   0.849
  206    HE3  LYS  29           HE3      LYS  29  -2.919  14.234   0.281
  207    HZ1  LYS  29           HZ1      LYS  29  -4.727  15.766   0.734
  208    HZ2  LYS  29           HZ2      LYS  29  -5.725  14.959  -0.368
  209    HZ3  LYS  29           HZ3      LYS  29  -4.348  15.775  -0.914
  210    H    SER  30           H        SER  30  -0.823   8.211  -3.603
  211    HA   SER  30           HA       SER  30  -2.782   6.402  -4.609
  212    HB2  SER  30           HB2      SER  30  -2.546   7.043  -7.030
  213    HB3  SER  30           HB3      SER  30  -3.432   8.223  -6.065
  214    HG   SER  30           HG       SER  30  -0.701   8.380  -6.831
  215    H    GLY  31           H        GLY  31  -1.303   4.898  -3.819
  216    HA2  GLY  31           HA2      GLY  31   1.348   4.787  -5.049
  217    HA3  GLY  31           HA3      GLY  31   0.778   3.797  -3.717
  218    H    THR  32           H        THR  32   1.882   2.074  -5.139
  219    HA   THR  32           HA       THR  32  -0.194   0.785  -6.669
  220    HB   THR  32           HB       THR  32   0.725   2.113  -8.456
  221    HG1  THR  32           HG1      THR  32   1.143  -0.638  -8.428
  222   HG21  THR  32          HG21      THR  32   3.423   0.982  -7.691
  223   HG22  THR  32          HG22      THR  32   2.922   2.672  -7.637
  224   HG23  THR  32          HG23      THR  32   3.098   1.854  -9.189
  225    H    CYS  33           H        CYS  33  -0.237  -1.234  -6.067
  226    HA   CYS  33           HA       CYS  33   2.007  -2.518  -4.831
  227    HB2  CYS  33           HB2      CYS  33  -0.288  -3.054  -4.112
  228    HB3  CYS  33           HB3      CYS  33  -0.620  -3.762  -5.688
  229    H    ALA  34           H        ALA  34   3.634  -3.201  -5.885
  230    HA   ALA  34           HA       ALA  34   3.408  -4.696  -8.374
  231    HB1  ALA  34           HB1      ALA  34   5.068  -2.198  -8.062
  232    HB2  ALA  34           HB2      ALA  34   3.679  -2.411  -9.125
  233    HB3  ALA  34           HB3      ALA  34   5.167  -3.307  -9.429
  234    H    ASN  35           H        ASN  35   5.614  -5.644  -8.974
  235    HA   ASN  35           HA       ASN  35   6.766  -6.824  -6.608
  236    HB2  ASN  35           HB2      ASN  35   7.181  -7.231  -9.560
  237    HB3  ASN  35           HB3      ASN  35   8.252  -7.982  -8.382
  238   HD21  ASN  35          HD21      ASN  35   5.096  -7.965  -9.783
  239   HD22  ASN  35          HD22      ASN  35   4.529  -9.419  -9.043
  240    H    ARG  36           H        ARG  36   8.915  -6.782  -5.956
  241    HA   ARG  36           HA       ARG  36  10.262  -4.260  -6.366
  242    HB2  ARG  36           HB2      ARG  36  10.822  -6.637  -4.594
  243    HB3  ARG  36           HB3      ARG  36  11.912  -5.263  -4.695
  244    HG2  ARG  36           HG2      ARG  36  10.061  -3.793  -3.961
  245    HG3  ARG  36           HG3      ARG  36   9.048  -5.225  -3.767
  246    HD2  ARG  36           HD2      ARG  36   9.882  -4.745  -1.617
  247    HD3  ARG  36           HD3      ARG  36  10.836  -6.107  -2.202
  248    HE   ARG  36           HE       ARG  36  12.265  -3.863  -2.895
  249   HH11  ARG  36          HH11      ARG  36  11.107  -5.228   0.127
  250   HH12  ARG  36          HH12      ARG  36  12.405  -4.559   1.059
  251   HH21  ARG  36          HH21      ARG  36  14.015  -3.297   0.050
  252   HH22  ARG  36          HH22      ARG  36  13.953  -2.997  -1.655
  Start of MODEL   15
    1    H    PCA   1           H3       PCA   1   1.982 -14.914  -4.481
    2    HA   PCA   1           HA       PCA   1  -0.129 -15.753  -5.279
    3    HB2  PCA   1           HB2      PCA   1  -0.764 -15.857  -2.488
    4    HB3  PCA   1           HB3      PCA   1   0.044 -17.085  -3.488
    5    HG2  PCA   1           HG2      PCA   1   1.195 -15.279  -1.593
    6    HG3  PCA   1           HG3      PCA   1   1.967 -16.589  -2.503
    7    H    CYS   2           H        CYS   2  -0.339 -12.763  -3.587
    8    HA   CYS   2           HA       CYS   2  -3.220 -12.623  -4.151
    9    HB2  CYS   2           HB2      CYS   2  -3.539 -11.288  -2.116
   10    HB3  CYS   2           HB3      CYS   2  -2.915 -12.890  -1.746
   11    H    LYS   3           H        LYS   3  -0.139 -11.084  -4.209
   12    HA   LYS   3           HA       LYS   3  -0.932  -8.429  -4.756
   13    HB2  LYS   3           HB2      LYS   3   1.553  -8.838  -6.034
   14    HB3  LYS   3           HB3      LYS   3   1.242  -8.035  -4.518
   15    HG2  LYS   3           HG2      LYS   3   2.925  -9.649  -4.125
   16    HG3  LYS   3           HG3      LYS   3   1.453 -10.264  -3.386
   17    HD2  LYS   3           HD2      LYS   3   2.319 -12.142  -4.444
   18    HD3  LYS   3           HD3      LYS   3   1.140 -11.548  -5.611
   19    HE2  LYS   3           HE2      LYS   3   2.881 -10.544  -6.937
   20    HE3  LYS   3           HE3      LYS   3   4.093 -10.927  -5.718
   21    HZ1  LYS   3           HZ1      LYS   3   2.547 -12.906  -7.304
   22    HZ2  LYS   3           HZ2      LYS   3   3.709 -13.278  -6.133
   23    HZ3  LYS   3           HZ3      LYS   3   4.167 -12.488  -7.556
   24    HA   PRO   4           HA       PRO   4  -1.838  -9.154  -9.136
   25    HB2  PRO   4           HB2      PRO   4  -3.166  -6.877  -9.639
   26    HB3  PRO   4           HB3      PRO   4  -3.846  -8.128  -8.585
   27    HG2  PRO   4           HG2      PRO   4  -2.743  -5.492  -7.882
   28    HG3  PRO   4           HG3      PRO   4  -3.926  -6.490  -7.017
   29    HD2  PRO   4           HD2      PRO   4  -1.101  -6.251  -6.512
   30    HD3  PRO   4           HD3      PRO   4  -2.294  -7.236  -5.645
   31    H    ASN   5           H        ASN   5   0.248  -6.742  -7.933
   32    HA   ASN   5           HA       ASN   5   1.895  -5.448  -8.752
   33    HB2  ASN   5           HB2      ASN   5   1.655  -7.397 -11.002
   34    HB3  ASN   5           HB3      ASN   5   2.712  -6.001 -11.155
   35   HD21  ASN   5          HD21      ASN   5   2.107  -8.952  -9.380
   36   HD22  ASN   5          HD22      ASN   5   3.701  -9.105  -8.730
   37    H    GLY   6           H        GLY   6  -0.718  -4.503  -8.929
   38    HA2  GLY   6           HA2      GLY   6  -0.363  -2.203 -10.517
   39    HA3  GLY   6           HA3      GLY   6  -1.443  -3.312 -11.350
   40    H    ALA   7           H        ALA   7  -1.222  -2.915  -7.840
   41    HA   ALA   7           HA       ALA   7  -4.021  -1.966  -7.882
   42    HB1  ALA   7           HB1      ALA   7  -2.514  -3.510  -5.790
   43    HB2  ALA   7           HB2      ALA   7  -3.936  -4.007  -6.705
   44    HB3  ALA   7           HB3      ALA   7  -4.071  -2.746  -5.483
   45    H    LYS   8           H        LYS   8  -4.512   0.002  -7.192
   46    HA   LYS   8           HA       LYS   8  -2.420   1.780  -6.338
   47    HB2  LYS   8           HB2      LYS   8  -5.024   2.000  -7.522
   48    HB3  LYS   8           HB3      LYS   8  -4.906   3.081  -6.140
   49    HG2  LYS   8           HG2      LYS   8  -3.142   4.279  -7.071
   50    HG3  LYS   8           HG3      LYS   8  -2.768   3.004  -8.234
   51    HD2  LYS   8           HD2      LYS   8  -4.920   3.435  -9.359
   52    HD3  LYS   8           HD3      LYS   8  -5.227   4.754  -8.228
   53    HE2  LYS   8           HE2      LYS   8  -3.214   5.900  -9.027
   54    HE3  LYS   8           HE3      LYS   8  -2.911   4.580 -10.155
   55    HZ1  LYS   8           HZ1      LYS   8  -5.000   5.089 -11.257
   56    HZ2  LYS   8           HZ2      LYS   8  -3.988   6.445 -11.245
   57    HZ3  LYS   8           HZ3      LYS   8  -5.293   6.355 -10.172
   58    H    CYS   9           H        CYS   9  -1.948   2.492  -4.411
   59    HA   CYS   9           HA       CYS   9  -3.549   1.660  -2.085
   60    HB2  CYS   9           HB2      CYS   9  -0.744   2.781  -2.296
   61    HB3  CYS   9           HB3      CYS   9  -1.530   2.334  -0.795
   62    H    THR  10           H        THR  10  -4.029   3.172  -0.414
   63    HA   THR  10           HA       THR  10  -3.714   6.008  -0.969
   64    HB   THR  10           HB       THR  10  -6.228   6.323  -0.386
   65    HG1  THR  10           HG1      THR  10  -6.047   3.611  -0.785
   66   HG21  THR  10          HG21      THR  10  -5.370   5.303  -3.097
   67   HG22  THR  10          HG22      THR  10  -5.221   6.962  -2.517
   68   HG23  THR  10          HG23      THR  10  -6.818   6.257  -2.768
   69    H    GLU  11           H        GLU  11  -4.568   7.347   0.861
   70    HA   GLU  11           HA       GLU  11  -3.336   6.751   3.250
   71    HB2  GLU  11           HB2      GLU  11  -5.782   8.501   3.066
   72    HB3  GLU  11           HB3      GLU  11  -4.456   8.632   4.208
   73    HG2  GLU  11           HG2      GLU  11  -3.994   8.974   1.273
   74    HG3  GLU  11           HG3      GLU  11  -4.603  10.301   2.259
   75    H    ILE  12           H        ILE  12  -6.506   5.781   2.244
   76    HA   ILE  12           HA       ILE  12  -7.003   4.612   4.889
   77    HB   ILE  12           HB       ILE  12  -9.300   4.928   3.067
   78   HG12  ILE  12          HG12      ILE  12  -8.182   7.124   2.730
   79   HG13  ILE  12          HG13      ILE  12  -9.722   7.278   3.555
   80   HG21  ILE  12          HG21      ILE  12  -8.905   5.408   6.004
   81   HG22  ILE  12          HG22      ILE  12  -9.563   3.959   5.242
   82   HG23  ILE  12          HG23      ILE  12 -10.448   5.482   5.152
   83   HD11  ILE  12          HD11      ILE  12  -8.066   8.798   4.479
   84   HD12  ILE  12          HD12      ILE  12  -6.997   7.443   4.843
   85   HD13  ILE  12          HD13      ILE  12  -8.541   7.599   5.683
   86    H    SER  13           H        SER  13  -6.289   3.757   1.660
   87    HA   SER  13           HA       SER  13  -7.374   1.080   2.166
   88    HB2  SER  13           HB2      SER  13  -8.808   2.324   0.521
   89    HB3  SER  13           HB3      SER  13  -7.417   2.373  -0.562
   90    HG   SER  13           HG       SER  13  -8.938   0.160   0.285
   91    H    ILE  14           H        ILE  14  -6.270  -0.658   1.434
   92    HA   ILE  14           HA       ILE  14  -3.815  -0.341  -0.061
   93    HB   ILE  14           HB       ILE  14  -2.434  -1.621   1.601
   94   HG12  ILE  14          HG12      ILE  14  -3.331  -1.043   4.076
   95   HG13  ILE  14          HG13      ILE  14  -4.876  -1.292   3.268
   96   HG21  ILE  14          HG21      ILE  14  -2.054   0.715   1.298
   97   HG22  ILE  14          HG22      ILE  14  -1.900   0.324   3.012
   98   HG23  ILE  14          HG23      ILE  14  -3.359   1.118   2.416
   99   HD11  ILE  14          HD11      ILE  14  -2.597  -3.257   3.364
  100   HD12  ILE  14          HD12      ILE  14  -4.140  -3.509   2.550
  101   HD13  ILE  14          HD13      ILE  14  -4.086  -3.342   4.304
  102    HA   PRO  15           HA       PRO  15  -5.182  -4.393  -1.442
  103    HB2  PRO  15           HB2      PRO  15  -3.002  -5.085  -2.911
  104    HB3  PRO  15           HB3      PRO  15  -4.142  -3.837  -3.447
  105    HG2  PRO  15           HG2      PRO  15  -1.480  -3.521  -2.142
  106    HG3  PRO  15           HG3      PRO  15  -2.186  -2.626  -3.502
  107    HD2  PRO  15           HD2      PRO  15  -2.142  -1.661  -0.976
  108    HD3  PRO  15           HD3      PRO  15  -3.405  -1.252  -2.151
  109    HA   PRO  16           HA       PRO  16  -3.201  -7.441   1.198
  110    HB2  PRO  16           HB2      PRO  16  -2.846  -9.546  -0.790
  111    HB3  PRO  16           HB3      PRO  16  -4.048  -9.442   0.508
  112    HG2  PRO  16           HG2      PRO  16  -4.719  -9.269  -2.095
  113    HG3  PRO  16           HG3      PRO  16  -5.602  -8.414  -0.813
  114    HD2  PRO  16           HD2      PRO  16  -3.501  -7.359  -2.677
  115    HD3  PRO  16           HD3      PRO  16  -5.054  -6.630  -2.205
  116    H    CYS  17           H        CYS  17  -1.592  -7.788  -1.988
  117    HA   CYS  17           HA       CYS  17   0.551  -8.169  -2.601
  118    HB2  CYS  17           HB2      CYS  17   1.200  -6.072  -0.525
  119    HB3  CYS  17           HB3      CYS  17   2.124  -6.451  -1.973
  120    H    CYS  18           H        CYS  18   0.874 -10.247  -2.007
  121    HA   CYS  18           HA       CYS  18   1.757 -11.008   0.610
  122    HB2  CYS  18           HB2      CYS  18   1.509 -12.540  -1.977
  123    HB3  CYS  18           HB3      CYS  18   2.014 -13.270  -0.459
  124    H    SER  19           H        SER  19   3.300 -10.137  -2.369
  125    HA   SER  19           HA       SER  19   5.925 -10.502  -1.084
  126    HB2  SER  19           HB2      SER  19   5.353 -11.421  -3.910
  127    HB3  SER  19           HB3      SER  19   6.917 -11.469  -3.100
  128    HG   SER  19           HG       SER  19   5.707 -13.482  -3.078
  129    H    ASN  20           H        ASN  20   3.815  -8.602  -2.813
  130    HA   ASN  20           HA       ASN  20   5.827  -6.980  -4.157
  131    HB2  ASN  20           HB2      ASN  20   2.827  -6.966  -4.093
  132    HB3  ASN  20           HB3      ASN  20   3.743  -5.675  -4.847
  133   HD21  ASN  20          HD21      ASN  20   2.598  -6.284  -6.731
  134   HD22  ASN  20          HD22      ASN  20   3.172  -7.587  -7.708
  135    H    PHE  21           H        PHE  21   4.765  -4.480  -4.019
  136    HA   PHE  21           HA       PHE  21   4.909  -3.767  -1.171
  137    HB2  PHE  21           HB2      PHE  21   6.060  -1.676  -1.876
  138    HB3  PHE  21           HB3      PHE  21   6.986  -3.124  -2.217
  139    HD1  PHE  21           HD1      PHE  21   4.693  -0.664  -3.871
  140    HD2  PHE  21           HD2      PHE  21   7.903  -3.426  -4.304
  141    HE1  PHE  21           HE1      PHE  21   5.067   0.124  -6.170
  142    HE2  PHE  21           HE2      PHE  21   8.276  -2.645  -6.602
  143    HZ   PHE  21           HZ       PHE  21   6.859  -0.864  -7.539
  144    H    CYS  22           H        CYS  22   3.830  -1.833  -0.541
  145    HA   CYS  22           HA       CYS  22   1.669  -1.001  -2.361
  146    HB2  CYS  22           HB2      CYS  22   0.676  -2.244  -0.537
  147    HB3  CYS  22           HB3      CYS  22   1.611  -1.342   0.649
  148    H    LEU  23           H        LEU  23   2.148   0.934  -3.100
  149    HA   LEU  23           HA       LEU  23   3.997   2.651  -1.751
  150    HB2  LEU  23           HB2      LEU  23   2.553   2.718  -4.354
  151    HB3  LEU  23           HB3      LEU  23   3.286   4.192  -3.761
  152    HG   LEU  23           HG       LEU  23   4.703   1.587  -4.376
  153   HD11  LEU  23          HD11      LEU  23   5.787   3.754  -5.793
  154   HD12  LEU  23          HD12      LEU  23   4.035   3.900  -5.936
  155   HD13  LEU  23          HD13      LEU  23   4.839   2.411  -6.430
  156   HD21  LEU  23          HD21      LEU  23   6.052   2.383  -2.679
  157   HD22  LEU  23          HD22      LEU  23   5.634   4.069  -2.985
  158   HD23  LEU  23          HD23      LEU  23   6.749   3.227  -4.061
  159    H    ARG  24           H        ARG  24   2.167   2.392   0.007
  160    HA   ARG  24           HA       ARG  24   0.336   4.673  -0.017
  161    HB2  ARG  24           HB2      ARG  24  -0.054   2.182   0.900
  162    HB3  ARG  24           HB3      ARG  24   0.638   2.872   2.354
  163    HG2  ARG  24           HG2      ARG  24  -1.640   4.292   1.043
  164    HG3  ARG  24           HG3      ARG  24  -1.964   2.829   1.963
  165    HD2  ARG  24           HD2      ARG  24  -2.251   4.542   3.514
  166    HD3  ARG  24           HD3      ARG  24  -0.634   3.935   3.853
  167    HE   ARG  24           HE       ARG  24  -0.513   6.094   2.027
  168   HH11  ARG  24          HH11      ARG  24  -1.059   5.444   5.436
  169   HH12  ARG  24          HH12      ARG  24  -0.496   7.002   5.942
  170   HH21  ARG  24          HH21      ARG  24   0.223   8.130   2.716
  171   HH22  ARG  24          HH22      ARG  24   0.228   8.518   4.404
  172    H    TYR  25           H        TYR  25   2.698   5.676  -0.214
  173    HA   TYR  25           HA       TYR  25   4.193   6.034   2.186
  174    HB2  TYR  25           HB2      TYR  25   4.833   6.279  -0.386
  175    HB3  TYR  25           HB3      TYR  25   4.448   7.966  -0.064
  176    HD1  TYR  25           HD1      TYR  25   6.713   5.186   0.761
  177    HD2  TYR  25           HD2      TYR  25   5.885   9.321   1.320
  178    HE1  TYR  25           HE1      TYR  25   8.958   5.502   1.714
  179    HE2  TYR  25           HE2      TYR  25   8.125   9.648   2.275
  180    HH   TYR  25           HH       TYR  25   9.870   8.312   3.380
  181    H    ALA  26           H        ALA  26   4.619   8.154   3.196
  182    HA   ALA  26           HA       ALA  26   2.227   9.441   4.024
  183    HB1  ALA  26           HB1      ALA  26   3.658  10.835   5.390
  184    HB2  ALA  26           HB2      ALA  26   5.076  10.280   4.500
  185    HB3  ALA  26           HB3      ALA  26   4.158   9.146   5.491
  186    H    GLY  27           H        GLY  27   4.318  10.019   1.390
  187    HA2  GLY  27           HA2      GLY  27   3.258  12.753   1.038
  188    HA3  GLY  27           HA3      GLY  27   4.779  12.186   0.366
  189    H    GLN  28           H        GLN  28   2.141   9.987   0.238
  190    HA   GLN  28           HA       GLN  28   1.561  10.710  -2.556
  191    HB2  GLN  28           HB2      GLN  28   2.223   7.985  -1.451
  192    HB3  GLN  28           HB3      GLN  28   1.352   8.193  -2.963
  193    HG2  GLN  28           HG2      GLN  28   3.251   9.498  -3.845
  194    HG3  GLN  28           HG3      GLN  28   4.126   9.194  -2.345
  195   HE21  GLN  28          HE21      GLN  28   4.931   7.148  -1.932
  196   HE22  GLN  28          HE22      GLN  28   5.056   5.935  -3.156
  197    H    LYS  29           H        LYS  29  -0.484  10.144  -3.329
  198    HA   LYS  29           HA       LYS  29  -2.469   9.463  -1.260
  199    HB2  LYS  29           HB2      LYS  29  -2.642  11.457  -3.523
  200    HB3  LYS  29           HB3      LYS  29  -4.067  10.859  -2.689
  201    HG2  LYS  29           HG2      LYS  29  -3.685  12.806  -1.546
  202    HG3  LYS  29           HG3      LYS  29  -2.780  11.665  -0.549
  203    HD2  LYS  29           HD2      LYS  29  -0.713  12.296  -1.709
  204    HD3  LYS  29           HD3      LYS  29  -1.620  13.435  -2.706
  205    HE2  LYS  29           HE2      LYS  29  -1.552  13.581   0.299
  206    HE3  LYS  29           HE3      LYS  29  -0.382  14.411  -0.723
  207    HZ1  LYS  29           HZ1      LYS  29  -3.325  14.813  -0.788
  208    HZ2  LYS  29           HZ2      LYS  29  -2.201  15.612  -1.769
  209    HZ3  LYS  29           HZ3      LYS  29  -2.200  15.871  -0.098
  210    H    SER  30           H        SER  30  -0.923   8.168  -3.769
  211    HA   SER  30           HA       SER  30  -2.927   6.224  -4.346
  212    HB2  SER  30           HB2      SER  30  -2.128   8.121  -6.578
  213    HB3  SER  30           HB3      SER  30  -2.953   6.585  -6.831
  214    HG   SER  30           HG       SER  30  -4.136   8.249  -4.979
  215    H    GLY  31           H        GLY  31  -1.463   4.699  -3.722
  216    HA2  GLY  31           HA2      GLY  31   1.189   4.649  -4.931
  217    HA3  GLY  31           HA3      GLY  31   0.608   3.596  -3.656
  218    H    THR  32           H        THR  32   1.692   1.891  -4.992
  219    HA   THR  32           HA       THR  32  -0.263   0.614  -6.656
  220    HB   THR  32           HB       THR  32   0.639   2.022  -8.391
  221    HG1  THR  32           HG1      THR  32   1.290  -0.704  -8.427
  222   HG21  THR  32          HG21      THR  32   2.784   2.659  -7.476
  223   HG22  THR  32          HG22      THR  32   3.041   1.914  -9.054
  224   HG23  THR  32          HG23      THR  32   3.368   0.998  -7.583
  225    H    CYS  33           H        CYS  33  -0.221  -1.418  -6.114
  226    HA   CYS  33           HA       CYS  33   1.990  -2.700  -4.850
  227    HB2  CYS  33           HB2      CYS  33  -0.473  -3.315  -4.557
  228    HB3  CYS  33           HB3      CYS  33  -0.356  -4.121  -6.114
  229    H    ALA  34           H        ALA  34   3.575  -3.827  -5.720
  230    HA   ALA  34           HA       ALA  34   3.727  -4.954  -8.305
  231    HB1  ALA  34           HB1      ALA  34   5.459  -3.395  -9.191
  232    HB2  ALA  34           HB2      ALA  34   5.099  -2.308  -7.849
  233    HB3  ALA  34           HB3      ALA  34   3.861  -2.662  -9.052
  234    H    ASN  35           H        ASN  35   5.972  -5.827  -8.699
  235    HA   ASN  35           HA       ASN  35   7.072  -6.787  -6.210
  236    HB2  ASN  35           HB2      ASN  35   7.540  -7.387  -9.104
  237    HB3  ASN  35           HB3      ASN  35   8.754  -7.877  -7.927
  238   HD21  ASN  35          HD21      ASN  35   5.494  -8.319  -9.039
  239   HD22  ASN  35          HD22      ASN  35   5.190  -9.791  -8.188
  240    H    ARG  36           H        ARG  36   9.140  -6.555  -5.428
  241    HA   ARG  36           HA       ARG  36  10.482  -4.075  -6.233
  242    HB2  ARG  36           HB2      ARG  36   9.716  -4.817  -3.782
  243    HB3  ARG  36           HB3      ARG  36  11.301  -5.576  -3.793
  244    HG2  ARG  36           HG2      ARG  36  12.346  -3.429  -4.259
  245    HG3  ARG  36           HG3      ARG  36  10.760  -2.656  -4.301
  246    HD2  ARG  36           HD2      ARG  36  10.400  -3.304  -1.959
  247    HD3  ARG  36           HD3      ARG  36  12.001  -4.040  -1.925
  248    HE   ARG  36           HE       ARG  36  12.407  -1.441  -2.719
  249   HH11  ARG  36          HH11      ARG  36  11.019  -2.980   0.117
  250   HH12  ARG  36          HH12      ARG  36  11.459  -1.684   1.178
  251   HH21  ARG  36          HH21      ARG  36  12.563   0.140   0.368
  252   HH22  ARG  36          HH22      ARG  36  12.973   0.244  -1.311
  Start of MODEL   16
    1    H    PCA   1           H3       PCA   1  -4.332 -15.225  -2.005
    2    HA   PCA   1           HA       PCA   1  -5.661 -13.216  -2.356
    3    HB2  PCA   1           HB2      PCA   1  -4.201 -11.309  -0.961
    4    HB3  PCA   1           HB3      PCA   1  -5.775 -11.973  -0.468
    5    HG2  PCA   1           HG2      PCA   1  -3.105 -12.547   0.558
    6    HG3  PCA   1           HG3      PCA   1  -4.692 -12.802   1.307
    7    H    CYS   2           H        CYS   2  -2.308 -12.679  -1.429
    8    HA   CYS   2           HA       CYS   2  -0.432 -12.006  -2.457
    9    HB2  CYS   2           HB2      CYS   2  -1.612 -13.746  -4.600
   10    HB3  CYS   2           HB3      CYS   2  -0.035 -12.985  -4.786
   11    H    LYS   3           H        LYS   3   0.612 -10.794  -4.130
   12    HA   LYS   3           HA       LYS   3  -0.718  -8.367  -4.687
   13    HB2  LYS   3           HB2      LYS   3   1.557  -8.147  -6.143
   14    HB3  LYS   3           HB3      LYS   3   1.456  -7.807  -4.432
   15    HG2  LYS   3           HG2      LYS   3   3.403  -9.146  -4.887
   16    HG3  LYS   3           HG3      LYS   3   2.255 -10.104  -3.959
   17    HD2  LYS   3           HD2      LYS   3   1.648 -11.387  -5.831
   18    HD3  LYS   3           HD3      LYS   3   2.373 -10.239  -6.956
   19    HE2  LYS   3           HE2      LYS   3   3.830 -12.110  -6.866
   20    HE3  LYS   3           HE3      LYS   3   4.606 -10.827  -5.941
   21    HZ1  LYS   3           HZ1      LYS   3   3.809 -11.865  -3.905
   22    HZ2  LYS   3           HZ2      LYS   3   4.750 -12.948  -4.799
   23    HZ3  LYS   3           HZ3      LYS   3   3.066 -13.097  -4.797
   24    HA   PRO   4           HA       PRO   4  -1.715  -9.241  -9.012
   25    HB2  PRO   4           HB2      PRO   4  -2.999  -6.884  -9.511
   26    HB3  PRO   4           HB3      PRO   4  -3.705  -8.170  -8.519
   27    HG2  PRO   4           HG2      PRO   4  -2.826  -5.550  -7.698
   28    HG3  PRO   4           HG3      PRO   4  -3.675  -6.781  -6.750
   29    HD2  PRO   4           HD2      PRO   4  -0.790  -6.149  -6.845
   30    HD3  PRO   4           HD3      PRO   4  -1.720  -6.998  -5.593
   31    H    ASN   5           H        ASN   5   0.561  -7.065  -7.957
   32    HA   ASN   5           HA       ASN   5   2.146  -5.708  -8.777
   33    HB2  ASN   5           HB2      ASN   5   2.404  -6.850 -11.451
   34    HB3  ASN   5           HB3      ASN   5   3.582  -6.744 -10.153
   35   HD21  ASN   5          HD21      ASN   5   3.835  -8.469  -8.752
   36   HD22  ASN   5          HD22      ASN   5   3.163 -10.030  -9.065
   37    H    GLY   6           H        GLY   6  -0.463  -4.760  -9.124
   38    HA2  GLY   6           HA2      GLY   6  -0.006  -2.549 -10.816
   39    HA3  GLY   6           HA3      GLY   6  -1.060  -3.690 -11.635
   40    H    ALA   7           H        ALA   7  -1.081  -3.222  -8.145
   41    HA   ALA   7           HA       ALA   7  -3.855  -2.258  -8.347
   42    HB1  ALA   7           HB1      ALA   7  -2.347  -3.799  -6.333
   43    HB2  ALA   7           HB2      ALA   7  -4.042  -3.908  -6.807
   44    HB3  ALA   7           HB3      ALA   7  -3.515  -2.646  -5.696
   45    H    LYS   8           H        LYS   8  -4.520  -0.630  -6.586
   46    HA   LYS   8           HA       LYS   8  -2.476   1.467  -6.413
   47    HB2  LYS   8           HB2      LYS   8  -5.152   1.485  -7.394
   48    HB3  LYS   8           HB3      LYS   8  -5.085   2.515  -5.972
   49    HG2  LYS   8           HG2      LYS   8  -4.567   4.026  -7.586
   50    HG3  LYS   8           HG3      LYS   8  -2.948   3.466  -7.171
   51    HD2  LYS   8           HD2      LYS   8  -3.003   1.912  -9.064
   52    HD3  LYS   8           HD3      LYS   8  -4.627   2.466  -9.475
   53    HE2  LYS   8           HE2      LYS   8  -3.752   4.724  -9.851
   54    HE3  LYS   8           HE3      LYS   8  -2.131   4.163  -9.447
   55    HZ1  LYS   8           HZ1      LYS   8  -2.220   2.662 -11.340
   56    HZ2  LYS   8           HZ2      LYS   8  -2.462   4.261 -11.835
   57    HZ3  LYS   8           HZ3      LYS   8  -3.776   3.202 -11.727
   58    H    CYS   9           H        CYS   9  -2.096   2.518  -4.544
   59    HA   CYS   9           HA       CYS   9  -3.404   1.498  -2.094
   60    HB2  CYS   9           HB2      CYS   9  -0.650   2.694  -2.490
   61    HB3  CYS   9           HB3      CYS   9  -1.326   2.242  -0.934
   62    H    THR  10           H        THR  10  -3.941   2.971  -0.460
   63    HA   THR  10           HA       THR  10  -3.699   5.825  -0.969
   64    HB   THR  10           HB       THR  10  -6.212   6.078  -0.386
   65    HG1  THR  10           HG1      THR  10  -5.986   3.376  -0.720
   66   HG21  THR  10          HG21      THR  10  -6.826   5.989  -2.762
   67   HG22  THR  10          HG22      THR  10  -5.362   5.067  -3.102
   68   HG23  THR  10          HG23      THR  10  -5.242   6.730  -2.530
   69    H    GLU  11           H        GLU  11  -4.556   7.116   0.891
   70    HA   GLU  11           HA       GLU  11  -3.351   6.397   3.289
   71    HB2  GLU  11           HB2      GLU  11  -5.658   8.324   3.067
   72    HB3  GLU  11           HB3      GLU  11  -4.372   8.330   4.264
   73    HG2  GLU  11           HG2      GLU  11  -2.772   8.754   2.375
   74    HG3  GLU  11           HG3      GLU  11  -4.182   9.006   1.349
   75    H    ILE  12           H        ILE  12  -6.431   5.489   2.121
   76    HA   ILE  12           HA       ILE  12  -7.155   4.406   4.763
   77    HB   ILE  12           HB       ILE  12  -9.495   4.423   3.221
   78   HG12  ILE  12          HG12      ILE  12  -9.707   6.995   2.954
   79   HG13  ILE  12          HG13      ILE  12  -7.948   6.995   2.925
   80   HG21  ILE  12          HG21      ILE  12  -9.376   4.620   5.623
   81   HG22  ILE  12          HG22      ILE  12 -10.284   5.975   4.952
   82   HG23  ILE  12          HG23      ILE  12  -8.618   6.206   5.482
   83   HD11  ILE  12          HD11      ILE  12  -8.820   7.022   0.680
   84   HD12  ILE  12          HD12      ILE  12  -9.770   5.570   0.998
   85   HD13  ILE  12          HD13      ILE  12  -8.008   5.486   0.984
   86    H    SER  13           H        SER  13  -6.281   3.499   1.590
   87    HA   SER  13           HA       SER  13  -7.300   0.804   2.120
   88    HB2  SER  13           HB2      SER  13  -7.487   2.204  -0.553
   89    HB3  SER  13           HB3      SER  13  -7.886   0.510  -0.265
   90    HG   SER  13           HG       SER  13  -9.398   2.697   0.130
   91    H    ILE  14           H        ILE  14  -6.139  -0.908   1.361
   92    HA   ILE  14           HA       ILE  14  -3.697  -0.487  -0.132
   93    HB   ILE  14           HB       ILE  14  -2.275  -1.744   1.512
   94   HG12  ILE  14          HG12      ILE  14  -3.176  -1.217   3.994
   95   HG13  ILE  14          HG13      ILE  14  -4.719  -1.497   3.191
   96   HG21  ILE  14          HG21      ILE  14  -3.276   0.947   2.391
   97   HG22  ILE  14          HG22      ILE  14  -2.005   0.624   1.211
   98   HG23  ILE  14          HG23      ILE  14  -1.764   0.199   2.906
   99   HD11  ILE  14          HD11      ILE  14  -2.390  -3.404   3.263
  100   HD12  ILE  14          HD12      ILE  14  -3.930  -3.688   2.449
  101   HD13  ILE  14          HD13      ILE  14  -3.876  -3.534   4.206
  102    HA   PRO  15           HA       PRO  15  -4.894  -4.564  -1.568
  103    HB2  PRO  15           HB2      PRO  15  -2.668  -5.170  -3.009
  104    HB3  PRO  15           HB3      PRO  15  -3.843  -3.957  -3.552
  105    HG2  PRO  15           HG2      PRO  15  -1.207  -3.563  -2.219
  106    HG3  PRO  15           HG3      PRO  15  -1.941  -2.670  -3.567
  107    HD2  PRO  15           HD2      PRO  15  -1.942  -1.758  -1.013
  108    HD3  PRO  15           HD3      PRO  15  -3.198  -1.355  -2.199
  109    HA   PRO  16           HA       PRO  16  -2.821  -7.553   1.077
  110    HB2  PRO  16           HB2      PRO  16  -2.635  -9.722  -0.833
  111    HB3  PRO  16           HB3      PRO  16  -3.828  -9.501   0.458
  112    HG2  PRO  16           HG2      PRO  16  -4.461  -9.391  -2.180
  113    HG3  PRO  16           HG3      PRO  16  -5.345  -8.505  -0.921
  114    HD2  PRO  16           HD2      PRO  16  -3.215  -7.511  -2.782
  115    HD3  PRO  16           HD3      PRO  16  -4.754  -6.747  -2.321
  116    H    CYS  17           H        CYS  17  -1.441  -8.055  -2.185
  117    HA   CYS  17           HA       CYS  17   0.618  -8.424  -2.962
  118    HB2  CYS  17           HB2      CYS  17   1.532  -6.469  -0.852
  119    HB3  CYS  17           HB3      CYS  17   2.323  -6.822  -2.384
  120    H    CYS  18           H        CYS  18   1.233 -10.414  -2.738
  121    HA   CYS  18           HA       CYS  18   1.968 -11.657  -0.293
  122    HB2  CYS  18           HB2      CYS  18   1.769 -12.429  -3.125
  123    HB3  CYS  18           HB3      CYS  18   2.995 -13.302  -2.217
  124    H    SER  19           H        SER  19   3.748 -10.110  -2.882
  125    HA   SER  19           HA       SER  19   6.210 -10.258  -1.294
  126    HB2  SER  19           HB2      SER  19   6.129 -11.113  -4.194
  127    HB3  SER  19           HB3      SER  19   7.578 -10.976  -3.200
  128    HG   SER  19           HG       SER  19   5.606 -12.530  -2.089
  129    H    ASN  20           H        ASN  20   4.230  -8.605  -3.536
  130    HA   ASN  20           HA       ASN  20   6.206  -6.754  -4.502
  131    HB2  ASN  20           HB2      ASN  20   3.196  -6.814  -4.669
  132    HB3  ASN  20           HB3      ASN  20   4.155  -5.522  -5.363
  133   HD21  ASN  20          HD21      ASN  20   3.401  -6.018  -7.423
  134   HD22  ASN  20          HD22      ASN  20   3.974  -7.390  -8.302
  135    H    PHE  21           H        PHE  21   5.046  -4.266  -4.322
  136    HA   PHE  21           HA       PHE  21   5.077  -3.726  -1.428
  137    HB2  PHE  21           HB2      PHE  21   6.178  -1.566  -1.944
  138    HB3  PHE  21           HB3      PHE  21   7.154  -2.948  -2.399
  139    HD1  PHE  21           HD1      PHE  21   8.125  -3.009  -4.484
  140    HD2  PHE  21           HD2      PHE  21   4.791  -0.431  -3.867
  141    HE1  PHE  21           HE1      PHE  21   8.487  -2.018  -6.703
  142    HE2  PHE  21           HE2      PHE  21   5.147   0.555  -6.093
  143    HZ   PHE  21           HZ       PHE  21   6.997  -0.235  -7.510
  144    H    CYS  22           H        CYS  22   3.964  -1.838  -0.703
  145    HA   CYS  22           HA       CYS  22   1.782  -0.980  -2.481
  146    HB2  CYS  22           HB2      CYS  22   0.867  -2.356  -0.683
  147    HB3  CYS  22           HB3      CYS  22   1.711  -1.391   0.522
  148    H    LEU  23           H        LEU  23   2.231   0.977  -3.137
  149    HA   LEU  23           HA       LEU  23   4.017   2.703  -1.726
  150    HB2  LEU  23           HB2      LEU  23   2.635   2.707  -4.341
  151    HB3  LEU  23           HB3      LEU  23   3.149   4.260  -3.722
  152    HG   LEU  23           HG       LEU  23   4.951   1.872  -4.208
  153   HD11  LEU  23          HD11      LEU  23   5.875   3.383  -6.001
  154   HD12  LEU  23          HD12      LEU  23   4.442   4.385  -5.776
  155   HD13  LEU  23          HD13      LEU  23   4.275   2.713  -6.302
  156   HD21  LEU  23          HD21      LEU  23   6.094   3.035  -2.560
  157   HD22  LEU  23          HD22      LEU  23   5.448   4.596  -3.061
  158   HD23  LEU  23          HD23      LEU  23   6.704   3.815  -4.018
  159    H    ARG  24           H        ARG  24   2.288   2.419   0.081
  160    HA   ARG  24           HA       ARG  24   0.340   4.605   0.070
  161    HB2  ARG  24           HB2      ARG  24   0.035   2.099   0.943
  162    HB3  ARG  24           HB3      ARG  24   0.723   2.773   2.407
  163    HG2  ARG  24           HG2      ARG  24  -1.668   4.027   1.091
  164    HG3  ARG  24           HG3      ARG  24  -1.833   2.656   2.182
  165    HD2  ARG  24           HD2      ARG  24  -2.138   4.445   3.609
  166    HD3  ARG  24           HD3      ARG  24  -0.421   4.108   3.816
  167    HE   ARG  24           HE       ARG  24  -0.500   5.971   1.830
  168   HH11  ARG  24          HH11      ARG  24  -1.749   5.883   5.111
  169   HH12  ARG  24          HH12      ARG  24  -1.624   7.598   5.327
  170   HH21  ARG  24          HH21      ARG  24  -0.357   8.216   2.133
  171   HH22  ARG  24          HH22      ARG  24  -0.838   8.915   3.643
  172    H    TYR  25           H        TYR  25   2.680   5.707  -0.103
  173    HA   TYR  25           HA       TYR  25   4.149   6.089   2.305
  174    HB2  TYR  25           HB2      TYR  25   4.748   6.460  -0.274
  175    HB3  TYR  25           HB3      TYR  25   4.297   8.112   0.131
  176    HD1  TYR  25           HD1      TYR  25   6.697   5.407   0.771
  177    HD2  TYR  25           HD2      TYR  25   5.675   9.453   1.596
  178    HE1  TYR  25           HE1      TYR  25   8.937   5.773   1.719
  179    HE2  TYR  25           HE2      TYR  25   7.910   9.831   2.547
  180    HH   TYR  25           HH       TYR  25  10.473   7.646   2.143
  181    H    ALA  26           H        ALA  26   4.460   8.180   3.396
  182    HA   ALA  26           HA       ALA  26   2.017   9.310   4.281
  183    HB1  ALA  26           HB1      ALA  26   3.382  10.758   5.658
  184    HB2  ALA  26           HB2      ALA  26   4.816  10.314   4.731
  185    HB3  ALA  26           HB3      ALA  26   3.987   9.102   5.708
  186    H    GLY  27           H        GLY  27   4.088  10.119   1.679
  187    HA2  GLY  27           HA2      GLY  27   2.903  12.802   1.407
  188    HA3  GLY  27           HA3      GLY  27   4.376  12.259   0.618
  189    H    GLN  28           H        GLN  28   2.574   9.661   0.228
  190    HA   GLN  28           HA       GLN  28   1.600  10.498  -2.404
  191    HB2  GLN  28           HB2      GLN  28   2.156   7.783  -1.208
  192    HB3  GLN  28           HB3      GLN  28   1.359   7.993  -2.760
  193    HG2  GLN  28           HG2      GLN  28   3.330   9.165  -3.614
  194    HG3  GLN  28           HG3      GLN  28   4.131   8.943  -2.059
  195   HE21  GLN  28          HE21      GLN  28   3.032   7.397  -4.970
  196   HE22  GLN  28          HE22      GLN  28   3.903   5.921  -4.757
  197    H    LYS  29           H        LYS  29  -0.464   9.950  -3.154
  198    HA   LYS  29           HA       LYS  29  -2.454   9.348  -1.064
  199    HB2  LYS  29           HB2      LYS  29  -2.570  11.379  -3.290
  200    HB3  LYS  29           HB3      LYS  29  -4.019  10.801  -2.480
  201    HG2  LYS  29           HG2      LYS  29  -3.158  11.623  -0.346
  202    HG3  LYS  29           HG3      LYS  29  -1.702  12.199  -1.158
  203    HD2  LYS  29           HD2      LYS  29  -3.061  13.706  -2.527
  204    HD3  LYS  29           HD3      LYS  29  -4.520  13.123  -1.720
  205    HE2  LYS  29           HE2      LYS  29  -3.666  13.954   0.418
  206    HE3  LYS  29           HE3      LYS  29  -2.210  14.536  -0.389
  207    HZ1  LYS  29           HZ1      LYS  29  -3.579  16.031  -1.703
  208    HZ2  LYS  29           HZ2      LYS  29  -3.805  16.315  -0.052
  209    HZ3  LYS  29           HZ3      LYS  29  -4.977  15.470  -0.932
  210    H    SER  30           H        SER  30  -0.998   8.157  -3.740
  211    HA   SER  30           HA       SER  30  -3.012   6.201  -4.250
  212    HB2  SER  30           HB2      SER  30  -2.385   8.186  -6.462
  213    HB3  SER  30           HB3      SER  30  -3.225   6.656  -6.708
  214    HG   SER  30           HG       SER  30  -4.566   7.722  -4.820
  215    H    GLY  31           H        GLY  31  -1.317   4.867  -3.580
  216    HA2  GLY  31           HA2      GLY  31   1.151   4.816  -5.121
  217    HA3  GLY  31           HA3      GLY  31   0.778   3.835  -3.715
  218    H    THR  32           H        THR  32   1.811   2.125  -5.121
  219    HA   THR  32           HA       THR  32  -0.287   0.679  -6.471
  220    HB   THR  32           HB       THR  32   0.494   2.010  -8.343
  221    HG1  THR  32           HG1      THR  32   1.083  -0.741  -8.298
  222   HG21  THR  32          HG21      THR  32   3.223   1.048  -7.524
  223   HG22  THR  32          HG22      THR  32   2.685   2.692  -7.875
  224   HG23  THR  32          HG23      THR  32   2.893   1.532  -9.187
  225    H    CYS  33           H        CYS  33  -0.108  -1.425  -6.285
  226    HA   CYS  33           HA       CYS  33   2.148  -2.600  -4.934
  227    HB2  CYS  33           HB2      CYS  33  -0.233  -3.359  -4.551
  228    HB3  CYS  33           HB3      CYS  33  -0.190  -4.078  -6.152
  229    H    ALA  34           H        ALA  34   3.867  -3.262  -5.879
  230    HA   ALA  34           HA       ALA  34   3.974  -4.430  -8.515
  231    HB1  ALA  34           HB1      ALA  34   5.354  -1.819  -7.903
  232    HB2  ALA  34           HB2      ALA  34   4.040  -2.063  -9.054
  233    HB3  ALA  34           HB3      ALA  34   5.619  -2.791  -9.351
  234    H    ASN  35           H        ASN  35   6.234  -5.191  -9.012
  235    HA   ASN  35           HA       ASN  35   7.411  -6.310  -6.618
  236    HB2  ASN  35           HB2      ASN  35   7.942  -6.689  -9.562
  237    HB3  ASN  35           HB3      ASN  35   8.984  -7.400  -8.335
  238   HD21  ASN  35          HD21      ASN  35   5.933  -7.534  -9.927
  239   HD22  ASN  35          HD22      ASN  35   5.380  -9.004  -9.207
  240    H    ARG  36           H        ARG  36   9.477  -6.051  -5.864
  241    HA   ARG  36           HA       ARG  36  10.783  -3.543  -6.643
  242    HB2  ARG  36           HB2      ARG  36  10.064  -4.314  -4.194
  243    HB3  ARG  36           HB3      ARG  36  11.641  -5.089  -4.241
  244    HG2  ARG  36           HG2      ARG  36  12.692  -2.937  -4.710
  245    HG3  ARG  36           HG3      ARG  36  11.110  -2.156  -4.677
  246    HD2  ARG  36           HD2      ARG  36  10.827  -2.847  -2.343
  247    HD3  ARG  36           HD3      ARG  36  12.416  -3.611  -2.379
  248    HE   ARG  36           HE       ARG  36  12.794  -0.977  -3.132
  249   HH11  ARG  36          HH11      ARG  36  11.643  -2.648  -0.265
  250   HH12  ARG  36          HH12      ARG  36  12.177  -1.403   0.815
  251   HH21  ARG  36          HH21      ARG  36  13.218   0.455   0.002
  252   HH22  ARG  36          HH22      ARG  36  13.484   0.640  -1.699
  Start of MODEL   17
    1    H    PCA   1           H3       PCA   1   1.208 -13.499  -5.748
    2    HA   PCA   1           HA       PCA   1   0.201 -15.691  -5.435
    3    HB2  PCA   1           HB2      PCA   1   0.345 -15.754  -2.581
    4    HB3  PCA   1           HB3      PCA   1   1.002 -16.926  -3.746
    5    HG2  PCA   1           HG2      PCA   1   2.387 -14.924  -2.239
    6    HG3  PCA   1           HG3      PCA   1   3.043 -16.192  -3.289
    7    H    CYS   2           H        CYS   2   0.210 -12.753  -3.595
    8    HA   CYS   2           HA       CYS   2  -2.735 -12.762  -3.537
    9    HB2  CYS   2           HB2      CYS   2  -1.233 -11.374  -1.357
   10    HB3  CYS   2           HB3      CYS   2  -2.858 -12.046  -1.339
   11    H    LYS   3           H        LYS   3   0.120 -11.191  -4.412
   12    HA   LYS   3           HA       LYS   3  -0.740  -8.483  -4.265
   13    HB2  LYS   3           HB2      LYS   3   1.289  -7.922  -5.437
   14    HB3  LYS   3           HB3      LYS   3   1.661  -9.156  -4.247
   15    HG2  LYS   3           HG2      LYS   3   1.030 -10.072  -6.987
   16    HG3  LYS   3           HG3      LYS   3   2.566  -9.253  -6.735
   17    HD2  LYS   3           HD2      LYS   3   3.108 -10.855  -4.943
   18    HD3  LYS   3           HD3      LYS   3   1.582 -11.686  -5.244
   19    HE2  LYS   3           HE2      LYS   3   3.679 -11.302  -7.367
   20    HE3  LYS   3           HE3      LYS   3   3.649 -12.704  -6.299
   21    HZ1  LYS   3           HZ1      LYS   3   1.467 -11.888  -8.144
   22    HZ2  LYS   3           HZ2      LYS   3   1.437 -13.235  -7.121
   23    HZ3  LYS   3           HZ3      LYS   3   2.547 -13.166  -8.396
   24    HA   PRO   4           HA       PRO   4  -2.915  -8.421  -8.223
   25    HB2  PRO   4           HB2      PRO   4  -3.215  -5.575  -8.121
   26    HB3  PRO   4           HB3      PRO   4  -4.396  -6.795  -7.615
   27    HG2  PRO   4           HG2      PRO   4  -3.160  -5.041  -5.903
   28    HG3  PRO   4           HG3      PRO   4  -3.860  -6.596  -5.422
   29    HD2  PRO   4           HD2      PRO   4  -0.998  -5.914  -5.999
   30    HD3  PRO   4           HD3      PRO   4  -1.684  -6.899  -4.690
   31    H    ASN   5           H        ASN   5  -0.149  -6.493  -7.525
   32    HA   ASN   5           HA       ASN   5   1.536  -5.550  -8.666
   33    HB2  ASN   5           HB2      ASN   5   0.888  -7.298 -11.020
   34    HB3  ASN   5           HB3      ASN   5   2.447  -6.644 -10.544
   35   HD21  ASN   5          HD21      ASN   5   3.644  -7.666  -9.013
   36   HD22  ASN   5          HD22      ASN   5   3.246  -9.221  -8.374
   37    H    GLY   6           H        GLY   6  -1.177  -4.426  -8.997
   38    HA2  GLY   6           HA2      GLY   6  -0.539  -2.325 -10.777
   39    HA3  GLY   6           HA3      GLY   6  -1.661  -3.432 -11.555
   40    H    ALA   7           H        ALA   7  -1.574  -2.653  -8.111
   41    HA   ALA   7           HA       ALA   7  -4.216  -1.361  -8.419
   42    HB1  ALA   7           HB1      ALA   7  -4.914  -2.263  -6.339
   43    HB2  ALA   7           HB2      ALA   7  -3.289  -2.840  -5.973
   44    HB3  ALA   7           HB3      ALA   7  -4.221  -3.590  -7.271
   45    H    LYS   8           H        LYS   8  -4.665   0.487  -7.248
   46    HA   LYS   8           HA       LYS   8  -2.365   2.036  -6.446
   47    HB2  LYS   8           HB2      LYS   8  -5.028   2.556  -7.379
   48    HB3  LYS   8           HB3      LYS   8  -4.722   3.475  -5.912
   49    HG2  LYS   8           HG2      LYS   8  -2.941   4.639  -6.869
   50    HG3  LYS   8           HG3      LYS   8  -2.775   3.478  -8.188
   51    HD2  LYS   8           HD2      LYS   8  -4.892   4.194  -9.125
   52    HD3  LYS   8           HD3      LYS   8  -5.142   5.299  -7.772
   53    HE2  LYS   8           HE2      LYS   8  -3.144   6.554  -8.436
   54    HE3  LYS   8           HE3      LYS   8  -2.900   5.449  -9.788
   55    HZ1  LYS   8           HZ1      LYS   8  -5.252   7.222  -9.401
   56    HZ2  LYS   8           HZ2      LYS   8  -5.028   6.158 -10.697
   57    HZ3  LYS   8           HZ3      LYS   8  -3.990   7.479 -10.499
   58    H    CYS   9           H        CYS   9  -1.791   2.686  -4.486
   59    HA   CYS   9           HA       CYS   9  -3.271   1.645  -2.160
   60    HB2  CYS   9           HB2      CYS   9  -0.378   2.473  -2.502
   61    HB3  CYS   9           HB3      CYS   9  -1.094   2.039  -0.955
   62    H    THR  10           H        THR  10  -4.103   3.020  -0.686
   63    HA   THR  10           HA       THR  10  -3.320   5.846  -0.774
   64    HB   THR  10           HB       THR  10  -5.807   6.401  -0.403
   65    HG1  THR  10           HG1      THR  10  -5.917   3.713  -1.235
   66   HG21  THR  10          HG21      THR  10  -4.583   7.006  -2.429
   67   HG22  THR  10          HG22      THR  10  -6.225   6.500  -2.823
   68   HG23  THR  10          HG23      THR  10  -4.874   5.400  -3.099
   69    H    GLU  11           H        GLU  11  -4.277   7.074   1.110
   70    HA   GLU  11           HA       GLU  11  -3.313   6.165   3.515
   71    HB2  GLU  11           HB2      GLU  11  -3.860   8.517   2.894
   72    HB3  GLU  11           HB3      GLU  11  -5.556   8.150   3.170
   73    HG2  GLU  11           HG2      GLU  11  -5.185   7.799   5.488
   74    HG3  GLU  11           HG3      GLU  11  -3.436   7.866   5.279
   75    H    ILE  12           H        ILE  12  -6.428   5.516   2.165
   76    HA   ILE  12           HA       ILE  12  -7.214   4.113   4.631
   77    HB   ILE  12           HB       ILE  12  -9.549   4.494   3.104
   78   HG12  ILE  12          HG12      ILE  12  -9.602   7.084   3.255
   79   HG13  ILE  12          HG13      ILE  12  -7.847   6.981   3.221
   80   HG21  ILE  12          HG21      ILE  12  -8.589   5.841   5.619
   81   HG22  ILE  12          HG22      ILE  12  -9.438   4.299   5.507
   82   HG23  ILE  12          HG23      ILE  12 -10.260   5.794   5.059
   83   HD11  ILE  12          HD11      ILE  12  -7.958   5.850   1.060
   84   HD12  ILE  12          HD12      ILE  12  -8.747   7.425   1.013
   85   HD13  ILE  12          HD13      ILE  12  -9.718   5.955   1.096
   86    H    SER  13           H        SER  13  -6.178   3.496   1.515
   87    HA   SER  13           HA       SER  13  -7.486   0.880   1.574
   88    HB2  SER  13           HB2      SER  13  -7.298   2.612  -0.895
   89    HB3  SER  13           HB3      SER  13  -7.858   0.940  -0.872
   90    HG   SER  13           HG       SER  13  -9.097   2.688   0.894
   91    H    ILE  14           H        ILE  14  -6.331  -0.831   0.967
   92    HA   ILE  14           HA       ILE  14  -3.824  -0.569  -0.453
   93    HB   ILE  14           HB       ILE  14  -2.505  -1.857   1.237
   94   HG12  ILE  14          HG12      ILE  14  -3.478  -1.308   3.695
   95   HG13  ILE  14          HG13      ILE  14  -4.992  -1.566   2.833
   96   HG21  ILE  14          HG21      ILE  14  -2.147   0.508   0.976
   97   HG22  ILE  14          HG22      ILE  14  -1.968   0.046   2.669
   98   HG23  ILE  14          HG23      ILE  14  -3.439   0.854   2.127
   99   HD11  ILE  14          HD11      ILE  14  -4.216  -3.613   3.881
  100   HD12  ILE  14          HD12      ILE  14  -2.697  -3.506   2.990
  101   HD13  ILE  14          HD13      ILE  14  -4.210  -3.768   2.124
  102    HA   PRO  15           HA       PRO  15  -5.243  -4.630  -1.765
  103    HB2  PRO  15           HB2      PRO  15  -3.107  -5.391  -3.247
  104    HB3  PRO  15           HB3      PRO  15  -4.203  -4.105  -3.784
  105    HG2  PRO  15           HG2      PRO  15  -1.522  -3.891  -2.509
  106    HG3  PRO  15           HG3      PRO  15  -2.209  -2.976  -3.868
  107    HD2  PRO  15           HD2      PRO  15  -2.105  -2.015  -1.316
  108    HD3  PRO  15           HD3      PRO  15  -3.328  -1.525  -2.504
  109    HA   PRO  16           HA       PRO  16  -3.283  -7.634   0.928
  110    HB2  PRO  16           HB2      PRO  16  -2.852  -9.791  -0.968
  111    HB3  PRO  16           HB3      PRO  16  -4.133  -9.632   0.244
  112    HG2  PRO  16           HG2      PRO  16  -4.607  -9.533  -2.420
  113    HG3  PRO  16           HG3      PRO  16  -5.594  -8.673  -1.221
  114    HD2  PRO  16           HD2      PRO  16  -3.390  -7.621  -2.952
  115    HD3  PRO  16           HD3      PRO  16  -4.976  -6.903  -2.588
  116    H    CYS  17           H        CYS  17  -1.551  -8.139  -2.164
  117    HA   CYS  17           HA       CYS  17   0.609  -8.689  -2.629
  118    HB2  CYS  17           HB2      CYS  17   1.445  -6.403  -0.883
  119    HB3  CYS  17           HB3      CYS  17   2.075  -6.887  -2.453
  120    H    CYS  18           H        CYS  18   1.121 -10.613  -1.821
  121    HA   CYS  18           HA       CYS  18   1.966 -10.899   0.946
  122    HB2  CYS  18           HB2      CYS  18   1.407 -12.820  -1.290
  123    HB3  CYS  18           HB3      CYS  18   2.288 -13.351   0.138
  124    H    SER  19           H        SER  19   3.481 -10.177  -2.010
  125    HA   SER  19           HA       SER  19   6.079 -10.877  -0.843
  126    HB2  SER  19           HB2      SER  19   5.238 -11.495  -3.674
  127    HB3  SER  19           HB3      SER  19   6.900 -11.599  -3.092
  128    HG   SER  19           HG       SER  19   5.890 -13.627  -2.987
  129    H    ASN  20           H        ASN  20   4.299  -8.892  -3.068
  130    HA   ASN  20           HA       ASN  20   6.651  -7.321  -3.702
  131    HB2  ASN  20           HB2      ASN  20   3.844  -7.360  -4.773
  132    HB3  ASN  20           HB3      ASN  20   5.019  -6.135  -5.253
  133   HD21  ASN  20          HD21      ASN  20   3.707  -8.446  -6.667
  134   HD22  ASN  20          HD22      ASN  20   5.011  -9.310  -7.397
  135    H    PHE  21           H        PHE  21   5.103  -4.802  -4.109
  136    HA   PHE  21           HA       PHE  21   5.000  -3.997  -1.278
  137    HB2  PHE  21           HB2      PHE  21   5.955  -1.838  -1.918
  138    HB3  PHE  21           HB3      PHE  21   7.018  -3.154  -2.375
  139    HD1  PHE  21           HD1      PHE  21   7.846  -3.276  -4.536
  140    HD2  PHE  21           HD2      PHE  21   4.475  -0.792  -3.773
  141    HE1  PHE  21           HE1      PHE  21   8.050  -2.319  -6.787
  142    HE2  PHE  21           HE2      PHE  21   4.675   0.161  -6.034
  143    HZ   PHE  21           HZ       PHE  21   6.466  -0.594  -7.537
  144    H    CYS  22           H        CYS  22   3.897  -1.978  -0.847
  145    HA   CYS  22           HA       CYS  22   1.695  -1.288  -2.647
  146    HB2  CYS  22           HB2      CYS  22   0.646  -2.722  -0.991
  147    HB3  CYS  22           HB3      CYS  22   1.458  -1.879   0.322
  148    H    LEU  23           H        LEU  23   2.369   0.666  -3.236
  149    HA   LEU  23           HA       LEU  23   3.986   2.330  -1.597
  150    HB2  LEU  23           HB2      LEU  23   2.730   2.629  -4.289
  151    HB3  LEU  23           HB3      LEU  23   3.504   4.000  -3.526
  152    HG   LEU  23           HG       LEU  23   4.868   1.373  -4.156
  153   HD11  LEU  23          HD11      LEU  23   4.883   4.016  -5.597
  154   HD12  LEU  23          HD12      LEU  23   4.289   2.470  -6.199
  155   HD13  LEU  23          HD13      LEU  23   6.013   2.701  -5.913
  156   HD21  LEU  23          HD21      LEU  23   5.837   3.971  -2.984
  157   HD22  LEU  23          HD22      LEU  23   6.931   2.890  -3.844
  158   HD23  LEU  23          HD23      LEU  23   6.098   2.329  -2.395
  159    H    ARG  24           H        ARG  24   2.275   2.172   0.142
  160    HA   ARG  24           HA       ARG  24   0.231   4.253  -0.029
  161    HB2  ARG  24           HB2      ARG  24   0.048   1.839   1.056
  162    HB3  ARG  24           HB3      ARG  24   0.751   2.641   2.446
  163    HG2  ARG  24           HG2      ARG  24  -1.701   3.764   1.135
  164    HG3  ARG  24           HG3      ARG  24  -1.826   2.408   2.252
  165    HD2  ARG  24           HD2      ARG  24  -2.149   4.207   3.657
  166    HD3  ARG  24           HD3      ARG  24  -0.421   3.922   3.839
  167    HE   ARG  24           HE       ARG  24  -0.722   5.764   1.786
  168   HH11  ARG  24          HH11      ARG  24  -1.391   5.641   5.233
  169   HH12  ARG  24          HH12      ARG  24  -1.195   7.348   5.447
  170   HH21  ARG  24          HH21      ARG  24  -0.479   7.999   2.092
  171   HH22  ARG  24          HH22      ARG  24  -0.680   8.681   3.671
  172    H    TYR  25           H        TYR  25   2.418   5.524  -0.343
  173    HA   TYR  25           HA       TYR  25   3.862   6.233   2.025
  174    HB2  TYR  25           HB2      TYR  25   4.005   6.835  -0.840
  175    HB3  TYR  25           HB3      TYR  25   4.478   8.179   0.196
  176    HD1  TYR  25           HD1      TYR  25   6.468   8.054   1.566
  177    HD2  TYR  25           HD2      TYR  25   5.291   4.763  -0.859
  178    HE1  TYR  25           HE1      TYR  25   8.688   7.039   1.875
  179    HE2  TYR  25           HE2      TYR  25   7.506   3.738  -0.557
  180    HH   TYR  25           HH       TYR  25   9.797   4.435   0.005
  181    H    ALA  26           H        ALA  26   4.053   8.415   2.863
  182    HA   ALA  26           HA       ALA  26   1.477   9.640   3.286
  183    HB1  ALA  26           HB1      ALA  26   3.030   9.297   5.137
  184    HB2  ALA  26           HB2      ALA  26   2.618  11.000   4.937
  185    HB3  ALA  26           HB3      ALA  26   4.176  10.397   4.373
  186    H    GLY  27           H        GLY  27   4.200  10.208   1.273
  187    HA2  GLY  27           HA2      GLY  27   3.325  12.963   0.693
  188    HA3  GLY  27           HA3      GLY  27   4.914  12.311   0.332
  189    H    GLN  28           H        GLN  28   2.130  10.363  -0.352
  190    HA   GLN  28           HA       GLN  28   2.232  11.092  -3.192
  191    HB2  GLN  28           HB2      GLN  28   2.368   8.317  -2.027
  192    HB3  GLN  28           HB3      GLN  28   1.900   8.615  -3.694
  193    HG2  GLN  28           HG2      GLN  28   4.069   9.692  -4.098
  194    HG3  GLN  28           HG3      GLN  28   4.536   9.351  -2.433
  195   HE21  GLN  28          HE21      GLN  28   3.928   8.005  -5.578
  196   HE22  GLN  28          HE22      GLN  28   4.647   6.462  -5.281
  197    H    LYS  29           H        LYS  29   0.473   9.278  -0.738
  198    HA   LYS  29           HA       LYS  29  -1.721   8.932  -0.276
  199    HB2  LYS  29           HB2      LYS  29  -1.992  11.517  -1.810
  200    HB3  LYS  29           HB3      LYS  29  -3.369  10.711  -1.073
  201    HG2  LYS  29           HG2      LYS  29  -2.306  10.901   1.121
  202    HG3  LYS  29           HG3      LYS  29  -0.925  11.711   0.379
  203    HD2  LYS  29           HD2      LYS  29  -2.392  13.520  -0.374
  204    HD3  LYS  29           HD3      LYS  29  -3.774  12.709   0.364
  205    HE2  LYS  29           HE2      LYS  29  -2.716  12.914   2.562
  206    HE3  LYS  29           HE3      LYS  29  -1.336  13.723   1.822
  207    HZ1  LYS  29           HZ1      LYS  29  -2.871  15.309   2.795
  208    HZ2  LYS  29           HZ2      LYS  29  -4.130  14.730   1.826
  209    HZ3  LYS  29           HZ3      LYS  29  -2.806  15.506   1.116
  210    H    SER  30           H        SER  30  -0.466   8.126  -3.034
  211    HA   SER  30           HA       SER  30  -2.639   6.564  -3.947
  212    HB2  SER  30           HB2      SER  30  -2.826   7.549  -6.258
  213    HB3  SER  30           HB3      SER  30  -3.479   8.587  -4.991
  214    HG   SER  30           HG       SER  30  -1.003   8.835  -6.346
  215    H    GLY  31           H        GLY  31  -0.817   5.180  -3.398
  216    HA2  GLY  31           HA2      GLY  31   1.402   5.144  -5.305
  217    HA3  GLY  31           HA3      GLY  31   1.272   4.199  -3.830
  218    H    THR  32           H        THR  32   1.866   2.265  -4.964
  219    HA   THR  32           HA       THR  32  -0.390   0.914  -6.103
  220    HB   THR  32           HB       THR  32   0.331   2.071  -8.126
  221    HG1  THR  32           HG1      THR  32   0.881  -0.715  -8.023
  222   HG21  THR  32          HG21      THR  32   3.035   0.860  -7.538
  223   HG22  THR  32          HG22      THR  32   2.632   2.562  -7.775
  224   HG23  THR  32          HG23      THR  32   2.582   1.445  -9.138
  225    H    CYS  33           H        CYS  33  -0.166  -1.268  -6.300
  226    HA   CYS  33           HA       CYS  33   2.150  -2.481  -4.983
  227    HB2  CYS  33           HB2      CYS  33  -0.108  -3.093  -4.124
  228    HB3  CYS  33           HB3      CYS  33  -0.514  -3.756  -5.701
  229    H    ALA  34           H        ALA  34   3.651  -3.365  -6.190
  230    HA   ALA  34           HA       ALA  34   3.084  -4.265  -8.901
  231    HB1  ALA  34           HB1      ALA  34   4.951  -3.030  -9.785
  232    HB2  ALA  34           HB2      ALA  34   5.338  -2.420  -8.178
  233    HB3  ALA  34           HB3      ALA  34   3.843  -1.927  -8.969
  234    H    ASN  35           H        ASN  35   6.345  -3.831  -7.816
  235    HA   ASN  35           HA       ASN  35   6.693  -6.480  -6.706
  236    HB2  ASN  35           HB2      ASN  35   7.596  -5.823  -9.495
  237    HB3  ASN  35           HB3      ASN  35   8.583  -6.889  -8.501
  238   HD21  ASN  35          HD21      ASN  35   5.604  -6.512 -10.217
  239   HD22  ASN  35          HD22      ASN  35   5.094  -8.159 -10.112
  240    H    ARG  36           H        ARG  36   8.178  -6.376  -5.187
  241    HA   ARG  36           HA       ARG  36   9.982  -4.078  -5.088
  242    HB2  ARG  36           HB2      ARG  36   8.425  -5.053  -3.153
  243    HB3  ARG  36           HB3      ARG  36   9.833  -6.065  -2.869
  244    HG2  ARG  36           HG2      ARG  36  11.220  -4.075  -2.590
  245    HG3  ARG  36           HG3      ARG  36   9.813  -3.052  -2.890
  246    HD2  ARG  36           HD2      ARG  36   8.710  -3.999  -0.920
  247    HD3  ARG  36           HD3      ARG  36  10.119  -5.015  -0.620
  248    HE   ARG  36           HE       ARG  36  10.984  -2.365  -0.733
  249   HH11  ARG  36          HH11      ARG  36   8.975  -4.354   1.351
  250   HH12  ARG  36          HH12      ARG  36   9.319  -3.419   2.767
  251   HH21  ARG  36          HH21      ARG  36  10.702  -1.610   2.644
  252   HH22  ARG  36          HH22      ARG  36  11.420  -1.156   1.134
  Start of MODEL   18
    1    H    PCA   1           H3       PCA   1   1.691 -13.828  -2.888
    2    HA   PCA   1           HA       PCA   1   0.477 -15.579  -4.966
    3    HB2  PCA   1           HB2      PCA   1  -0.116 -16.204  -2.230
    4    HB3  PCA   1           HB3      PCA   1   0.741 -17.191  -3.435
    5    HG2  PCA   1           HG2      PCA   1   1.822 -15.671  -1.262
    6    HG3  PCA   1           HG3      PCA   1   2.647 -16.767  -2.385
    7    H    CYS   2           H        CYS   2   0.100 -12.834  -2.973
    8    HA   CYS   2           HA       CYS   2  -2.816 -12.908  -3.365
    9    HB2  CYS   2           HB2      CYS   2  -3.168 -11.865  -1.204
   10    HB3  CYS   2           HB3      CYS   2  -2.259 -13.355  -1.001
   11    H    LYS   3           H        LYS   3   0.027 -11.288  -4.033
   12    HA   LYS   3           HA       LYS   3  -0.863  -8.583  -3.953
   13    HB2  LYS   3           HB2      LYS   3   1.158  -8.069  -5.292
   14    HB3  LYS   3           HB3      LYS   3   1.533  -9.044  -3.881
   15    HG2  LYS   3           HG2      LYS   3   1.018 -10.501  -6.395
   16    HG3  LYS   3           HG3      LYS   3   2.503  -9.555  -6.304
   17    HD2  LYS   3           HD2      LYS   3   3.125 -10.739  -4.248
   18    HD3  LYS   3           HD3      LYS   3   1.642 -11.687  -4.343
   19    HE2  LYS   3           HE2      LYS   3   3.336 -13.066  -5.227
   20    HE3  LYS   3           HE3      LYS   3   2.440 -12.460  -6.619
   21    HZ1  LYS   3           HZ1      LYS   3   5.029 -11.389  -5.626
   22    HZ2  LYS   3           HZ2      LYS   3   4.170 -10.801  -6.958
   23    HZ3  LYS   3           HZ3      LYS   3   4.820 -12.362  -6.995
   24    HA   PRO   4           HA       PRO   4  -2.937  -8.676  -7.946
   25    HB2  PRO   4           HB2      PRO   4  -3.539  -5.940  -7.977
   26    HB3  PRO   4           HB3      PRO   4  -4.506  -7.204  -7.201
   27    HG2  PRO   4           HG2      PRO   4  -3.151  -5.115  -5.904
   28    HG3  PRO   4           HG3      PRO   4  -3.890  -6.533  -5.146
   29    HD2  PRO   4           HD2      PRO   4  -1.033  -6.040  -5.849
   30    HD3  PRO   4           HD3      PRO   4  -1.729  -6.937  -4.483
   31    H    ASN   5           H        ASN   5  -0.194  -6.679  -7.370
   32    HA   ASN   5           HA       ASN   5   1.221  -5.417  -8.609
   33    HB2  ASN   5           HB2      ASN   5   1.510  -6.895 -11.003
   34    HB3  ASN   5           HB3      ASN   5   2.561  -6.890  -9.598
   35   HD21  ASN   5          HD21      ASN   5   2.560  -8.604  -8.230
   36   HD22  ASN   5          HD22      ASN   5   1.701 -10.072  -8.535
   37    H    GLY   6           H        GLY   6   0.415  -3.548  -9.138
   38    HA2  GLY   6           HA2      GLY   6   0.117  -2.068 -11.051
   39    HA3  GLY   6           HA3      GLY   6  -0.930  -3.293 -11.752
   40    H    ALA   7           H        ALA   7  -1.340  -2.910  -8.386
   41    HA   ALA   7           HA       ALA   7  -3.895  -1.535  -8.835
   42    HB1  ALA   7           HB1      ALA   7  -2.959  -2.930  -6.336
   43    HB2  ALA   7           HB2      ALA   7  -3.860  -3.717  -7.632
   44    HB3  ALA   7           HB3      ALA   7  -4.598  -2.403  -6.718
   45    H    LYS   8           H        LYS   8  -4.552   0.236  -7.529
   46    HA   LYS   8           HA       LYS   8  -2.339   1.945  -6.742
   47    HB2  LYS   8           HB2      LYS   8  -5.058   2.319  -7.681
   48    HB3  LYS   8           HB3      LYS   8  -4.695   3.342  -6.297
   49    HG2  LYS   8           HG2      LYS   8  -2.984   4.456  -7.412
   50    HG3  LYS   8           HG3      LYS   8  -2.838   3.195  -8.640
   51    HD2  LYS   8           HD2      LYS   8  -4.993   3.804  -9.565
   52    HD3  LYS   8           HD3      LYS   8  -5.225   5.006  -8.293
   53    HE2  LYS   8           HE2      LYS   8  -3.272   6.239  -9.110
   54    HE3  LYS   8           HE3      LYS   8  -3.048   5.038 -10.382
   55    HZ1  LYS   8           HZ1      LYS   8  -4.196   6.994 -11.206
   56    HZ2  LYS   8           HZ2      LYS   8  -5.423   6.792 -10.059
   57    HZ3  LYS   8           HZ3      LYS   8  -5.210   5.640 -11.279
   58    H    CYS   9           H        CYS   9  -2.023   2.862  -4.787
   59    HA   CYS   9           HA       CYS   9  -3.493   1.724  -2.490
   60    HB2  CYS   9           HB2      CYS   9  -0.603   2.498  -2.850
   61    HB3  CYS   9           HB3      CYS   9  -1.317   2.384  -1.251
   62    H    THR  10           H        THR  10  -4.212   3.115  -0.911
   63    HA   THR  10           HA       THR  10  -3.612   5.969  -1.165
   64    HB   THR  10           HB       THR  10  -6.470   5.357  -0.633
   65    HG1  THR  10           HG1      THR  10  -5.178   4.668  -3.002
   66   HG21  THR  10          HG21      THR  10  -5.052   7.422  -2.324
   67   HG22  THR  10          HG22      THR  10  -5.617   7.653  -0.670
   68   HG23  THR  10          HG23      THR  10  -6.779   7.393  -1.971
   69    H    GLU  11           H        GLU  11  -4.506   7.216   0.721
   70    HA   GLU  11           HA       GLU  11  -3.442   6.499   3.109
   71    HB2  GLU  11           HB2      GLU  11  -4.416   8.733   2.367
   72    HB3  GLU  11           HB3      GLU  11  -5.962   8.131   2.944
   73    HG2  GLU  11           HG2      GLU  11  -5.125   7.957   5.183
   74    HG3  GLU  11           HG3      GLU  11  -3.497   8.372   4.649
   75    H    ILE  12           H        ILE  12  -6.660   5.697   2.032
   76    HA   ILE  12           HA       ILE  12  -7.030   4.018   4.421
   77    HB   ILE  12           HB       ILE  12  -9.574   4.420   3.282
   78   HG12  ILE  12          HG12      ILE  12  -9.715   6.978   3.697
   79   HG13  ILE  12          HG13      ILE  12  -7.978   6.977   3.416
   80   HG21  ILE  12          HG21      ILE  12 -10.051   5.489   5.437
   81   HG22  ILE  12          HG22      ILE  12  -8.320   5.576   5.762
   82   HG23  ILE  12          HG23      ILE  12  -9.111   4.007   5.614
   83   HD11  ILE  12          HD11      ILE  12  -8.341   6.053   1.186
   84   HD12  ILE  12          HD12      ILE  12  -9.200   7.576   1.408
   85   HD13  ILE  12          HD13      ILE  12 -10.081   6.050   1.471
   86    H    SER  13           H        SER  13  -6.092   3.601   1.396
   87    HA   SER  13           HA       SER  13  -7.582   1.095   1.105
   88    HB2  SER  13           HB2      SER  13  -8.480   2.831  -0.473
   89    HB3  SER  13           HB3      SER  13  -6.892   2.871  -1.238
   90    HG   SER  13           HG       SER  13  -8.443   0.513  -0.960
   91    H    ILE  14           H        ILE  14  -6.373  -0.630   0.893
   92    HA   ILE  14           HA       ILE  14  -3.828  -0.551  -0.488
   93    HB   ILE  14           HB       ILE  14  -2.551  -1.680   1.309
   94   HG12  ILE  14          HG12      ILE  14  -3.614  -1.037   3.714
   95   HG13  ILE  14          HG13      ILE  14  -5.088  -1.393   2.816
   96   HG21  ILE  14          HG21      ILE  14  -3.556   1.052   2.045
   97   HG22  ILE  14          HG22      ILE  14  -2.217   0.670   0.962
   98   HG23  ILE  14          HG23      ILE  14  -2.095   0.294   2.681
   99   HD11  ILE  14          HD11      ILE  14  -4.271  -3.360   3.984
  100   HD12  ILE  14          HD12      ILE  14  -2.728  -3.234   3.140
  101   HD13  ILE  14          HD13      ILE  14  -4.199  -3.593   2.238
  102    HA   PRO  15           HA       PRO  15  -5.375  -4.664  -1.470
  103    HB2  PRO  15           HB2      PRO  15  -3.366  -5.513  -3.058
  104    HB3  PRO  15           HB3      PRO  15  -4.458  -4.216  -3.575
  105    HG2  PRO  15           HG2      PRO  15  -1.707  -4.033  -2.450
  106    HG3  PRO  15           HG3      PRO  15  -2.427  -3.173  -3.828
  107    HD2  PRO  15           HD2      PRO  15  -2.186  -2.075  -1.338
  108    HD3  PRO  15           HD3      PRO  15  -3.451  -1.617  -2.496
  109    HA   PRO  16           HA       PRO  16  -3.241  -7.543   1.247
  110    HB2  PRO  16           HB2      PRO  16  -2.700  -9.724  -0.597
  111    HB3  PRO  16           HB3      PRO  16  -3.970  -9.608   0.634
  112    HG2  PRO  16           HG2      PRO  16  -4.491  -9.610  -2.022
  113    HG3  PRO  16           HG3      PRO  16  -5.508  -8.779  -0.830
  114    HD2  PRO  16           HD2      PRO  16  -3.416  -7.648  -2.637
  115    HD3  PRO  16           HD3      PRO  16  -5.029  -7.011  -2.244
  116    H    CYS  17           H        CYS  17  -1.508  -7.916  -1.858
  117    HA   CYS  17           HA       CYS  17   0.666  -8.252  -2.395
  118    HB2  CYS  17           HB2      CYS  17   1.333  -6.148  -0.357
  119    HB3  CYS  17           HB3      CYS  17   2.134  -6.477  -1.888
  120    H    CYS  18           H        CYS  18   1.375 -10.218  -1.881
  121    HA   CYS  18           HA       CYS  18   2.194 -10.840   0.840
  122    HB2  CYS  18           HB2      CYS  18   1.832 -12.484  -1.647
  123    HB3  CYS  18           HB3      CYS  18   2.671 -13.133  -0.244
  124    H    SER  19           H        SER  19   3.585 -10.261  -2.291
  125    HA   SER  19           HA       SER  19   6.269 -10.336  -1.089
  126    HB2  SER  19           HB2      SER  19   5.578 -11.341  -3.861
  127    HB3  SER  19           HB3      SER  19   7.197 -11.265  -3.167
  128    HG   SER  19           HG       SER  19   5.031 -12.797  -2.149
  129    H    ASN  20           H        ASN  20   3.964  -8.724  -2.985
  130    HA   ASN  20           HA       ASN  20   5.830  -6.934  -4.290
  131    HB2  ASN  20           HB2      ASN  20   2.832  -7.185  -4.262
  132    HB3  ASN  20           HB3      ASN  20   3.629  -5.809  -5.006
  133   HD21  ASN  20          HD21      ASN  20   4.969  -9.056  -5.048
  134   HD22  ASN  20          HD22      ASN  20   4.754  -9.324  -6.741
  135    H    PHE  21           H        PHE  21   4.837  -4.480  -4.159
  136    HA   PHE  21           HA       PHE  21   4.851  -3.796  -1.293
  137    HB2  PHE  21           HB2      PHE  21   6.044  -1.705  -1.957
  138    HB3  PHE  21           HB3      PHE  21   6.969  -3.167  -2.248
  139    HD1  PHE  21           HD1      PHE  21   7.885  -3.576  -4.333
  140    HD2  PHE  21           HD2      PHE  21   4.821  -0.646  -3.974
  141    HE1  PHE  21           HE1      PHE  21   8.336  -2.835  -6.634
  142    HE2  PHE  21           HE2      PHE  21   5.266   0.101  -6.278
  143    HZ   PHE  21           HZ       PHE  21   7.027  -0.993  -7.609
  144    H    CYS  22           H        CYS  22   3.733  -1.927  -0.643
  145    HA   CYS  22           HA       CYS  22   1.709  -0.953  -2.548
  146    HB2  CYS  22           HB2      CYS  22   0.562  -2.259  -0.878
  147    HB3  CYS  22           HB3      CYS  22   1.453  -1.482   0.424
  148    H    LEU  23           H        LEU  23   2.315   0.990  -3.158
  149    HA   LEU  23           HA       LEU  23   4.074   2.613  -1.593
  150    HB2  LEU  23           HB2      LEU  23   2.816   2.858  -4.287
  151    HB3  LEU  23           HB3      LEU  23   3.608   4.244  -3.572
  152    HG   LEU  23           HG       LEU  23   4.893   1.578  -4.203
  153   HD11  LEU  23          HD11      LEU  23   6.175   2.927  -5.841
  154   HD12  LEU  23          HD12      LEU  23   5.126   4.298  -5.477
  155   HD13  LEU  23          HD13      LEU  23   4.450   2.837  -6.192
  156   HD21  LEU  23          HD21      LEU  23   5.901   3.998  -2.750
  157   HD22  LEU  23          HD22      LEU  23   7.011   3.066  -3.753
  158   HD23  LEU  23          HD23      LEU  23   6.177   2.289  -2.408
  159    H    ARG  24           H        ARG  24   2.116   2.342   0.010
  160    HA   ARG  24           HA       ARG  24   0.289   4.618  -0.100
  161    HB2  ARG  24           HB2      ARG  24  -0.161   2.129   0.736
  162    HB3  ARG  24           HB3      ARG  24   0.468   2.758   2.246
  163    HG2  ARG  24           HG2      ARG  24  -1.777   4.164   0.837
  164    HG3  ARG  24           HG3      ARG  24  -2.089   2.744   1.826
  165    HD2  ARG  24           HD2      ARG  24  -2.409   4.452   3.341
  166    HD3  ARG  24           HD3      ARG  24  -0.728   4.021   3.640
  167    HE   ARG  24           HE       ARG  24  -0.609   6.007   1.765
  168   HH11  ARG  24          HH11      ARG  24  -1.997   5.760   4.982
  169   HH12  ARG  24          HH12      ARG  24  -1.794   7.446   5.325
  170   HH21  ARG  24          HH21      ARG  24  -0.364   8.216   2.233
  171   HH22  ARG  24          HH22      ARG  24  -0.871   8.833   3.771
  172    H    TYR  25           H        TYR  25   2.659   5.645  -0.124
  173    HA   TYR  25           HA       TYR  25   4.050   5.979   2.316
  174    HB2  TYR  25           HB2      TYR  25   4.611   6.503  -0.282
  175    HB3  TYR  25           HB3      TYR  25   4.269   8.129   0.302
  176    HD1  TYR  25           HD1      TYR  25   6.512   5.237   0.593
  177    HD2  TYR  25           HD2      TYR  25   5.747   9.220   1.877
  178    HE1  TYR  25           HE1      TYR  25   8.786   5.369   1.521
  179    HE2  TYR  25           HE2      TYR  25   8.017   9.362   2.809
  180    HH   TYR  25           HH       TYR  25   9.776   7.849   3.614
  181    H    ALA  26           H        ALA  26   4.313   7.973   3.542
  182    HA   ALA  26           HA       ALA  26   1.831   9.120   4.330
  183    HB1  ALA  26           HB1      ALA  26   3.125  10.386   5.939
  184    HB2  ALA  26           HB2      ALA  26   4.617   9.940   5.109
  185    HB3  ALA  26           HB3      ALA  26   3.647   8.702   5.907
  186    H    GLY  27           H        GLY  27   4.274  10.084   2.099
  187    HA2  GLY  27           HA2      GLY  27   3.196  12.812   1.908
  188    HA3  GLY  27           HA3      GLY  27   4.720  12.265   1.229
  189    H    GLN  28           H        GLN  28   2.389   9.955   0.646
  190    HA   GLN  28           HA       GLN  28   1.661  11.108  -1.967
  191    HB2  GLN  28           HB2      GLN  28   2.613   8.308  -1.356
  192    HB3  GLN  28           HB3      GLN  28   1.775   8.725  -2.844
  193    HG2  GLN  28           HG2      GLN  28   3.550  10.318  -3.394
  194    HG3  GLN  28           HG3      GLN  28   4.392   9.887  -1.906
  195   HE21  GLN  28          HE21      GLN  28   3.490   8.853  -5.098
  196   HE22  GLN  28          HE22      GLN  28   4.565   7.503  -5.185
  197    H    LYS  29           H        LYS  29  -0.308  10.368  -2.876
  198    HA   LYS  29           HA       LYS  29  -2.155   9.076  -0.980
  199    HB2  LYS  29           HB2      LYS  29  -2.594  11.535  -2.671
  200    HB3  LYS  29           HB3      LYS  29  -3.938  10.586  -2.052
  201    HG2  LYS  29           HG2      LYS  29  -3.156  10.980   0.237
  202    HG3  LYS  29           HG3      LYS  29  -1.823  11.949  -0.395
  203    HD2  LYS  29           HD2      LYS  29  -3.423  13.516  -1.376
  204    HD3  LYS  29           HD3      LYS  29  -4.759  12.543  -0.760
  205    HE2  LYS  29           HE2      LYS  29  -3.994  12.951   1.531
  206    HE3  LYS  29           HE3      LYS  29  -2.663  13.928   0.910
  207    HZ1  LYS  29           HZ1      LYS  29  -4.501  15.308   1.642
  208    HZ2  LYS  29           HZ2      LYS  29  -5.552  14.528   0.572
  209    HZ3  LYS  29           HZ3      LYS  29  -4.278  15.464  -0.027
  210    H    SER  30           H        SER  30  -0.545   8.278  -3.510
  211    HA   SER  30           HA       SER  30  -2.557   6.566  -4.622
  212    HB2  SER  30           HB2      SER  30  -2.212   7.316  -6.999
  213    HB3  SER  30           HB3      SER  30  -3.070   8.490  -6.001
  214    HG   SER  30           HG       SER  30  -0.399   8.556  -6.912
  215    H    GLY  31           H        GLY  31  -1.153   4.991  -3.823
  216    HA2  GLY  31           HA2      GLY  31   1.513   4.794  -5.019
  217    HA3  GLY  31           HA3      GLY  31   0.902   3.830  -3.685
  218    H    THR  32           H        THR  32   1.938   2.060  -5.072
  219    HA   THR  32           HA       THR  32  -0.166   0.819  -6.595
  220    HB   THR  32           HB       THR  32   0.720   2.085  -8.419
  221    HG1  THR  32           HG1      THR  32   1.330  -0.650  -8.351
  222   HG21  THR  32          HG21      THR  32   3.168   1.716  -9.121
  223   HG22  THR  32          HG22      THR  32   3.426   1.178  -7.461
  224   HG23  THR  32          HG23      THR  32   2.856   2.817  -7.780
  225    H    CYS  33           H        CYS  33  -0.236  -1.165  -5.821
  226    HA   CYS  33           HA       CYS  33   2.018  -2.491  -4.697
  227    HB2  CYS  33           HB2      CYS  33  -0.300  -3.012  -3.963
  228    HB3  CYS  33           HB3      CYS  33  -0.603  -3.774  -5.521
  229    H    ALA  34           H        ALA  34   3.620  -3.134  -5.789
  230    HA   ALA  34           HA       ALA  34   3.356  -4.599  -8.300
  231    HB1  ALA  34           HB1      ALA  34   5.051  -2.139  -7.895
  232    HB2  ALA  34           HB2      ALA  34   3.693  -2.319  -9.003
  233    HB3  ALA  34           HB3      ALA  34   5.183  -3.222  -9.281
  234    H    ASN  35           H        ASN  35   5.460  -5.641  -8.894
  235    HA   ASN  35           HA       ASN  35   6.758  -6.611  -6.456
  236    HB2  ASN  35           HB2      ASN  35   7.673  -8.416  -8.057
  237    HB3  ASN  35           HB3      ASN  35   5.968  -8.469  -7.644
  238   HD21  ASN  35          HD21      ASN  35   4.541  -8.566  -9.247
  239   HD22  ASN  35          HD22      ASN  35   4.888  -8.298 -10.917
  240    H    ARG  36           H        ARG  36   8.840  -6.375  -6.005
  241    HA   ARG  36           HA       ARG  36  10.438  -4.705  -7.811
  242    HB2  ARG  36           HB2      ARG  36   9.944  -4.294  -5.223
  243    HB3  ARG  36           HB3      ARG  36  11.342  -5.343  -5.041
  244    HG2  ARG  36           HG2      ARG  36  12.676  -3.821  -6.396
  245    HG3  ARG  36           HG3      ARG  36  11.271  -2.775  -6.614
  246    HD2  ARG  36           HD2      ARG  36  11.179  -2.411  -4.190
  247    HD3  ARG  36           HD3      ARG  36  12.593  -3.445  -3.985
  248    HE   ARG  36           HE       ARG  36  13.327  -1.471  -5.774
  249   HH11  ARG  36          HH11      ARG  36  12.269  -1.576  -2.427
  250   HH12  ARG  36          HH12      ARG  36  13.143  -0.147  -1.985
  251   HH21  ARG  36          HH21      ARG  36  14.382   0.968  -3.540
  252   HH22  ARG  36          HH22      ARG  36  14.463   0.399  -5.173
  Start of MODEL   19
    1    H    PCA   1           H3       PCA   1   1.726 -13.196  -4.419
    2    HA   PCA   1           HA       PCA   1   0.708 -15.340  -5.010
    3    HB2  PCA   1           HB2      PCA   1   0.011 -16.100  -2.333
    4    HB3  PCA   1           HB3      PCA   1   0.957 -17.008  -3.535
    5    HG2  PCA   1           HG2      PCA   1   1.884 -15.552  -1.251
    6    HG3  PCA   1           HG3      PCA   1   2.796 -16.574  -2.376
    7    H    CYS   2           H        CYS   2   0.169 -12.696  -2.918
    8    HA   CYS   2           HA       CYS   2  -2.727 -12.849  -3.417
    9    HB2  CYS   2           HB2      CYS   2  -3.177 -11.857  -1.253
   10    HB3  CYS   2           HB3      CYS   2  -2.208 -13.309  -1.042
   11    H    LYS   3           H        LYS   3   0.052 -11.162  -4.064
   12    HA   LYS   3           HA       LYS   3  -0.965  -8.484  -4.001
   13    HB2  LYS   3           HB2      LYS   3   1.205  -8.453  -5.761
   14    HB3  LYS   3           HB3      LYS   3   1.230  -8.024  -4.068
   15    HG2  LYS   3           HG2      LYS   3   2.988  -9.540  -4.347
   16    HG3  LYS   3           HG3      LYS   3   1.698 -10.483  -3.602
   17    HD2  LYS   3           HD2      LYS   3   1.186 -11.576  -5.625
   18    HD3  LYS   3           HD3      LYS   3   2.088 -10.402  -6.584
   19    HE2  LYS   3           HE2      LYS   3   4.175 -11.220  -5.708
   20    HE3  LYS   3           HE3      LYS   3   3.331 -12.299  -4.597
   21    HZ1  LYS   3           HZ1      LYS   3   3.271 -12.469  -7.563
   22    HZ2  LYS   3           HZ2      LYS   3   2.454 -13.503  -6.503
   23    HZ3  LYS   3           HZ3      LYS   3   4.146 -13.486  -6.532
   24    HA   PRO   4           HA       PRO   4  -2.775  -8.693  -8.100
   25    HB2  PRO   4           HB2      PRO   4  -3.353  -5.928  -8.202
   26    HB3  PRO   4           HB3      PRO   4  -4.394  -7.194  -7.532
   27    HG2  PRO   4           HG2      PRO   4  -3.230  -5.139  -6.071
   28    HG3  PRO   4           HG3      PRO   4  -3.897  -6.637  -5.402
   29    HD2  PRO   4           HD2      PRO   4  -1.047  -5.955  -6.030
   30    HD3  PRO   4           HD3      PRO   4  -1.719  -6.832  -4.638
   31    H    ASN   5           H        ASN   5  -0.061  -6.692  -7.443
   32    HA   ASN   5           HA       ASN   5   1.402  -5.450  -8.647
   33    HB2  ASN   5           HB2      ASN   5   1.874  -6.966 -10.960
   34    HB3  ASN   5           HB3      ASN   5   2.776  -7.008  -9.455
   35   HD21  ASN   5          HD21      ASN   5   2.426  -8.680  -8.004
   36   HD22  ASN   5          HD22      ASN   5   1.610 -10.136  -8.455
   37    H    GLY   6           H        GLY   6   0.411  -3.635  -9.172
   38    HA2  GLY   6           HA2      GLY   6   0.249  -2.194 -11.177
   39    HA3  GLY   6           HA3      GLY   6  -0.774  -3.444 -11.872
   40    H    ALA   7           H        ALA   7  -1.247  -2.950  -8.526
   41    HA   ALA   7           HA       ALA   7  -3.826  -1.657  -9.047
   42    HB1  ALA   7           HB1      ALA   7  -2.787  -3.000  -6.553
   43    HB2  ALA   7           HB2      ALA   7  -3.848  -3.730  -7.760
   44    HB3  ALA   7           HB3      ALA   7  -4.420  -2.378  -6.785
   45    H    LYS   8           H        LYS   8  -4.543  -0.167  -7.086
   46    HA   LYS   8           HA       LYS   8  -2.364   1.756  -6.636
   47    HB2  LYS   8           HB2      LYS   8  -5.121   2.050  -7.530
   48    HB3  LYS   8           HB3      LYS   8  -4.709   3.138  -6.212
   49    HG2  LYS   8           HG2      LYS   8  -3.218   4.316  -7.465
   50    HG3  LYS   8           HG3      LYS   8  -2.810   2.930  -8.482
   51    HD2  LYS   8           HD2      LYS   8  -4.901   3.113  -9.658
   52    HD3  LYS   8           HD3      LYS   8  -5.444   4.393  -8.571
   53    HE2  LYS   8           HE2      LYS   8  -3.628   5.832  -9.367
   54    HE3  LYS   8           HE3      LYS   8  -3.087   4.551 -10.450
   55    HZ1  LYS   8           HZ1      LYS   8  -5.726   5.912 -10.564
   56    HZ2  LYS   8           HZ2      LYS   8  -5.207   4.685 -11.604
   57    HZ3  LYS   8           HZ3      LYS   8  -4.427   6.185 -11.615
   58    H    CYS   9           H        CYS   9  -2.092   2.743  -4.722
   59    HA   CYS   9           HA       CYS   9  -3.516   1.639  -2.367
   60    HB2  CYS   9           HB2      CYS   9  -0.661   2.577  -2.733
   61    HB3  CYS   9           HB3      CYS   9  -1.378   2.309  -1.152
   62    H    THR  10           H        THR  10  -4.026   3.096  -0.690
   63    HA   THR  10           HA       THR  10  -3.552   5.939  -1.087
   64    HB   THR  10           HB       THR  10  -6.064   6.360  -0.596
   65    HG1  THR  10           HG1      THR  10  -6.017   3.660  -1.063
   66   HG21  THR  10          HG21      THR  10  -5.169   5.392  -3.314
   67   HG22  THR  10          HG22      THR  10  -4.952   7.018  -2.669
   68   HG23  THR  10          HG23      THR  10  -6.575   6.409  -2.997
   69    H    GLU  11           H        GLU  11  -4.381   7.237   0.765
   70    HA   GLU  11           HA       GLU  11  -3.343   6.420   3.182
   71    HB2  GLU  11           HB2      GLU  11  -3.809   8.755   2.497
   72    HB3  GLU  11           HB3      GLU  11  -5.522   8.467   2.757
   73    HG2  GLU  11           HG2      GLU  11  -5.214   8.218   5.091
   74    HG3  GLU  11           HG3      GLU  11  -3.460   8.179   4.920
   75    H    ILE  12           H        ILE  12  -6.467   5.716   1.923
   76    HA   ILE  12           HA       ILE  12  -7.261   4.520   4.488
   77    HB   ILE  12           HB       ILE  12  -9.590   4.785   2.920
   78   HG12  ILE  12          HG12      ILE  12  -9.633   7.386   2.908
   79   HG13  ILE  12          HG13      ILE  12  -7.878   7.268   2.878
   80   HG21  ILE  12          HG21      ILE  12  -9.500   4.750   5.329
   81   HG22  ILE  12          HG22      ILE  12 -10.312   6.216   4.778
   82   HG23  ILE  12          HG23      ILE  12  -8.645   6.292   5.348
   83   HD11  ILE  12          HD11      ILE  12  -8.780   7.574   0.648
   84   HD12  ILE  12          HD12      ILE  12  -9.760   6.120   0.828
   85   HD13  ILE  12          HD13      ILE  12  -8.001   5.998   0.795
   86    H    SER  13           H        SER  13  -6.299   3.687   1.357
   87    HA   SER  13           HA       SER  13  -7.548   1.061   1.689
   88    HB2  SER  13           HB2      SER  13  -8.861   2.402   0.016
   89    HB3  SER  13           HB3      SER  13  -7.418   2.439  -0.996
   90    HG   SER  13           HG       SER  13  -8.079   0.586  -1.713
   91    H    ILE  14           H        ILE  14  -6.423  -0.681   1.064
   92    HA   ILE  14           HA       ILE  14  -3.940  -0.456  -0.392
   93    HB   ILE  14           HB       ILE  14  -2.588  -1.676   1.319
   94   HG12  ILE  14          HG12      ILE  14  -3.530  -1.047   3.772
   95   HG13  ILE  14          HG13      ILE  14  -5.053  -1.348   2.940
   96   HG21  ILE  14          HG21      ILE  14  -2.032   0.276   2.668
   97   HG22  ILE  14          HG22      ILE  14  -3.524   1.056   2.137
   98   HG23  ILE  14          HG23      ILE  14  -2.258   0.683   0.966
   99   HD11  ILE  14          HD11      ILE  14  -4.264  -3.566   2.298
  100   HD12  ILE  14          HD12      ILE  14  -4.241  -3.350   4.048
  101   HD13  ILE  14          HD13      ILE  14  -2.738  -3.262   3.129
  102    HA   PRO  15           HA       PRO  15  -5.359  -4.551  -1.593
  103    HB2  PRO  15           HB2      PRO  15  -3.212  -5.309  -3.076
  104    HB3  PRO  15           HB3      PRO  15  -4.347  -4.067  -3.637
  105    HG2  PRO  15           HG2      PRO  15  -1.668  -3.743  -2.378
  106    HG3  PRO  15           HG3      PRO  15  -2.378  -2.894  -3.768
  107    HD2  PRO  15           HD2      PRO  15  -2.290  -1.830  -1.276
  108    HD3  PRO  15           HD3      PRO  15  -3.561  -1.447  -2.455
  109    HA   PRO  16           HA       PRO  16  -3.338  -7.496   1.139
  110    HB2  PRO  16           HB2      PRO  16  -2.839  -9.651  -0.756
  111    HB3  PRO  16           HB3      PRO  16  -4.103  -9.538   0.480
  112    HG2  PRO  16           HG2      PRO  16  -4.642  -9.471  -2.164
  113    HG3  PRO  16           HG3      PRO  16  -5.622  -8.617  -0.954
  114    HD2  PRO  16           HD2      PRO  16  -3.477  -7.537  -2.743
  115    HD3  PRO  16           HD3      PRO  16  -5.075  -6.854  -2.365
  116    H    CYS  17           H        CYS  17  -1.591  -8.065  -1.935
  117    HA   CYS  17           HA       CYS  17   0.580  -8.435  -2.432
  118    HB2  CYS  17           HB2      CYS  17   1.282  -6.184  -0.572
  119    HB3  CYS  17           HB3      CYS  17   2.013  -6.601  -2.117
  120    H    CYS  18           H        CYS  18   1.357 -10.296  -1.825
  121    HA   CYS  18           HA       CYS  18   2.182 -10.734   0.940
  122    HB2  CYS  18           HB2      CYS  18   1.793 -12.581  -1.406
  123    HB3  CYS  18           HB3      CYS  18   2.556 -13.113   0.087
  124    H    SER  19           H        SER  19   3.508 -10.117  -2.180
  125    HA   SER  19           HA       SER  19   6.215 -10.335  -1.053
  126    HB2  SER  19           HB2      SER  19   5.490 -11.302  -3.825
  127    HB3  SER  19           HB3      SER  19   7.100 -11.312  -3.106
  128    HG   SER  19           HG       SER  19   5.115 -13.119  -2.860
  129    H    ASN  20           H        ASN  20   3.966  -8.726  -3.084
  130    HA   ASN  20           HA       ASN  20   5.904  -6.972  -4.317
  131    HB2  ASN  20           HB2      ASN  20   2.892  -7.057  -4.368
  132    HB3  ASN  20           HB3      ASN  20   3.820  -5.813  -5.185
  133   HD21  ASN  20          HD21      ASN  20   3.040  -6.433  -7.192
  134   HD22  ASN  20          HD22      ASN  20   3.573  -7.872  -7.986
  135    H    PHE  21           H        PHE  21   4.862  -4.475  -4.232
  136    HA   PHE  21           HA       PHE  21   4.885  -3.801  -1.365
  137    HB2  PHE  21           HB2      PHE  21   6.115  -1.751  -1.940
  138    HB3  PHE  21           HB3      PHE  21   7.002  -3.192  -2.402
  139    HD1  PHE  21           HD1      PHE  21   7.825  -3.416  -4.556
  140    HD2  PHE  21           HD2      PHE  21   4.823  -0.495  -3.796
  141    HE1  PHE  21           HE1      PHE  21   8.200  -2.459  -6.789
  142    HE2  PHE  21           HE2      PHE  21   5.192   0.463  -6.033
  143    HZ   PHE  21           HZ       PHE  21   6.883  -0.516  -7.529
  144    H    CYS  22           H        CYS  22   3.757  -1.957  -0.687
  145    HA   CYS  22           HA       CYS  22   1.702  -0.982  -2.560
  146    HB2  CYS  22           HB2      CYS  22   0.604  -2.334  -0.880
  147    HB3  CYS  22           HB3      CYS  22   1.476  -1.522   0.414
  148    H    LEU  23           H        LEU  23   2.244   0.987  -3.142
  149    HA   LEU  23           HA       LEU  23   4.015   2.607  -1.588
  150    HB2  LEU  23           HB2      LEU  23   2.733   2.809  -4.261
  151    HB3  LEU  23           HB3      LEU  23   3.387   4.265  -3.548
  152    HG   LEU  23           HG       LEU  23   4.943   1.731  -4.119
  153   HD11  LEU  23          HD11      LEU  23   4.409   2.753  -6.176
  154   HD12  LEU  23          HD12      LEU  23   6.067   3.220  -5.805
  155   HD13  LEU  23          HD13      LEU  23   4.749   4.365  -5.552
  156   HD21  LEU  23          HD21      LEU  23   6.897   3.407  -3.765
  157   HD22  LEU  23          HD22      LEU  23   6.113   2.711  -2.349
  158   HD23  LEU  23          HD23      LEU  23   5.712   4.351  -2.862
  159    H    ARG  24           H        ARG  24   2.191   2.340   0.116
  160    HA   ARG  24           HA       ARG  24   0.310   4.580   0.064
  161    HB2  ARG  24           HB2      ARG  24  -0.103   2.079   0.886
  162    HB3  ARG  24           HB3      ARG  24   0.562   2.699   2.385
  163    HG2  ARG  24           HG2      ARG  24  -1.736   4.081   1.034
  164    HG3  ARG  24           HG3      ARG  24  -1.998   2.670   2.052
  165    HD2  ARG  24           HD2      ARG  24  -2.292   4.401   3.550
  166    HD3  ARG  24           HD3      ARG  24  -0.600   3.988   3.805
  167    HE   ARG  24           HE       ARG  24  -0.566   5.950   1.895
  168   HH11  ARG  24          HH11      ARG  24  -1.808   5.733   5.173
  169   HH12  ARG  24          HH12      ARG  24  -1.598   7.423   5.487
  170   HH21  ARG  24          HH21      ARG  24  -0.311   8.164   2.327
  171   HH22  ARG  24          HH22      ARG  24  -0.752   8.797   3.877
  172    H    TYR  25           H        TYR  25   2.692   5.610  -0.007
  173    HA   TYR  25           HA       TYR  25   4.065   5.941   2.458
  174    HB2  TYR  25           HB2      TYR  25   4.295   6.981  -0.287
  175    HB3  TYR  25           HB3      TYR  25   4.905   8.053   0.968
  176    HD1  TYR  25           HD1      TYR  25   5.302   4.750  -0.615
  177    HD2  TYR  25           HD2      TYR  25   6.900   7.524   2.187
  178    HE1  TYR  25           HE1      TYR  25   7.390   3.453  -0.530
  179    HE2  TYR  25           HE2      TYR  25   8.993   6.235   2.280
  180    HH   TYR  25           HH       TYR  25   9.755   3.804   0.040
  181    H    ALA  26           H        ALA  26   4.401   8.007   3.573
  182    HA   ALA  26           HA       ALA  26   1.961   9.214   4.367
  183    HB1  ALA  26           HB1      ALA  26   4.775  10.083   4.971
  184    HB2  ALA  26           HB2      ALA  26   3.846   8.894   5.884
  185    HB3  ALA  26           HB3      ALA  26   3.320  10.577   5.836
  186    H    GLY  27           H        GLY  27   4.287  10.023   1.961
  187    HA2  GLY  27           HA2      GLY  27   3.242  12.751   1.665
  188    HA3  GLY  27           HA3      GLY  27   4.695  12.121   0.907
  189    H    GLN  28           H        GLN  28   2.776   9.656   0.379
  190    HA   GLN  28           HA       GLN  28   1.876  10.655  -2.228
  191    HB2  GLN  28           HB2      GLN  28   2.345   7.857  -1.188
  192    HB3  GLN  28           HB3      GLN  28   1.608   8.192  -2.748
  193    HG2  GLN  28           HG2      GLN  28   3.635   9.349  -3.464
  194    HG3  GLN  28           HG3      GLN  28   4.374   9.029  -1.896
  195   HE21  GLN  28          HE21      GLN  28   3.355   7.665  -4.923
  196   HE22  GLN  28          HE22      GLN  28   4.186   6.160  -4.759
  197    H    LYS  29           H        LYS  29  -0.189  10.150  -3.038
  198    HA   LYS  29           HA       LYS  29  -2.214   9.477  -1.006
  199    HB2  LYS  29           HB2      LYS  29  -2.260  11.636  -3.110
  200    HB3  LYS  29           HB3      LYS  29  -3.737  11.029  -2.376
  201    HG2  LYS  29           HG2      LYS  29  -2.916  11.702  -0.171
  202    HG3  LYS  29           HG3      LYS  29  -1.439  12.318  -0.915
  203    HD2  LYS  29           HD2      LYS  29  -2.753  13.921  -2.210
  204    HD3  LYS  29           HD3      LYS  29  -4.236  13.296  -1.490
  205    HE2  LYS  29           HE2      LYS  29  -1.984  14.443   0.143
  206    HE3  LYS  29           HE3      LYS  29  -3.303  15.428  -0.486
  207    HZ1  LYS  29           HZ1      LYS  29  -3.599  13.106   1.344
  208    HZ2  LYS  29           HZ2      LYS  29  -4.867  14.048   0.740
  209    HZ3  LYS  29           HZ3      LYS  29  -3.728  14.734   1.785
  210    H    SER  30           H        SER  30  -0.722   8.264  -3.576
  211    HA   SER  30           HA       SER  30  -2.776   6.435  -4.266
  212    HB2  SER  30           HB2      SER  30  -2.857   6.978  -6.724
  213    HB3  SER  30           HB3      SER  30  -3.629   8.190  -5.705
  214    HG   SER  30           HG       SER  30  -0.964   8.371  -6.664
  215    H    GLY  31           H        GLY  31  -1.193   4.990  -3.610
  216    HA2  GLY  31           HA2      GLY  31   1.340   4.890  -5.050
  217    HA3  GLY  31           HA3      GLY  31   0.876   3.891  -3.683
  218    H    THR  32           H        THR  32   1.868   2.158  -5.083
  219    HA   THR  32           HA       THR  32  -0.247   0.854  -6.547
  220    HB   THR  32           HB       THR  32   0.647   2.138  -8.379
  221    HG1  THR  32           HG1      THR  32   1.230  -0.616  -8.326
  222   HG21  THR  32          HG21      THR  32   2.819   2.796  -7.772
  223   HG22  THR  32          HG22      THR  32   3.072   1.679  -9.114
  224   HG23  THR  32          HG23      THR  32   3.333   1.137  -7.457
  225    H    CYS  33           H        CYS  33  -0.271  -1.185  -5.981
  226    HA   CYS  33           HA       CYS  33   1.985  -2.441  -4.743
  227    HB2  CYS  33           HB2      CYS  33  -0.304  -3.026  -4.040
  228    HB3  CYS  33           HB3      CYS  33  -0.611  -3.735  -5.621
  229    H    ALA  34           H        ALA  34   3.628  -3.010  -5.818
  230    HA   ALA  34           HA       ALA  34   3.427  -4.425  -8.374
  231    HB1  ALA  34           HB1      ALA  34   3.835  -2.102  -8.922
  232    HB2  ALA  34           HB2      ALA  34   5.283  -3.056  -9.252
  233    HB3  ALA  34           HB3      ALA  34   5.197  -2.054  -7.803
  234    H    ASN  35           H        ASN  35   5.447  -5.559  -8.913
  235    HA   ASN  35           HA       ASN  35   6.603  -6.690  -6.488
  236    HB2  ASN  35           HB2      ASN  35   7.549  -8.422  -8.157
  237    HB3  ASN  35           HB3      ASN  35   5.826  -8.443  -7.818
  238   HD21  ASN  35          HD21      ASN  35   4.476  -8.419  -9.484
  239   HD22  ASN  35          HD22      ASN  35   4.899  -8.048 -11.119
  240    H    ARG  36           H        ARG  36   8.669  -6.686  -5.938
  241    HA   ARG  36           HA       ARG  36  10.395  -4.722  -7.126
  242    HB2  ARG  36           HB2      ARG  36  11.976  -5.401  -5.286
  243    HB3  ARG  36           HB3      ARG  36  10.410  -4.828  -4.746
  244    HG2  ARG  36           HG2      ARG  36   9.699  -7.139  -4.352
  245    HG3  ARG  36           HG3      ARG  36  11.274  -7.714  -4.898
  246    HD2  ARG  36           HD2      ARG  36  12.351  -6.483  -3.077
  247    HD3  ARG  36           HD3      ARG  36  10.776  -5.908  -2.533
  248    HE   ARG  36           HE       ARG  36  10.713  -8.705  -2.625
  249   HH11  ARG  36          HH11      ARG  36  12.271  -6.174  -0.753
  250   HH12  ARG  36          HH12      ARG  36  12.403  -7.151   0.672
  251   HH21  ARG  36          HH21      ARG  36  11.625  -9.294   0.672
  252   HH22  ARG  36          HH22      ARG  36  10.896  -9.964  -0.749
  Start of MODEL   20
    1    H    PCA   1           H3       PCA   1  -0.400 -14.177  -6.169
    2    HA   PCA   1           HA       PCA   1  -1.119 -16.168  -4.960
    3    HB2  PCA   1           HB2      PCA   1   0.170 -15.707  -2.493
    4    HB3  PCA   1           HB3      PCA   1   0.462 -17.050  -3.625
    5    HG2  PCA   1           HG2      PCA   1   2.003 -14.617  -3.184
    6    HG3  PCA   1           HG3      PCA   1   2.485 -16.150  -3.937
    7    H    CYS   2           H        CYS   2  -0.232 -12.998  -3.756
    8    HA   CYS   2           HA       CYS   2  -2.960 -12.593  -2.777
    9    HB2  CYS   2           HB2      CYS   2  -0.722 -11.505  -1.121
   10    HB3  CYS   2           HB3      CYS   2  -2.361 -11.929  -0.642
   11    H    LYS   3           H        LYS   3  -0.027 -11.302  -4.088
   12    HA   LYS   3           HA       LYS   3  -0.869  -8.552  -3.982
   13    HB2  LYS   3           HB2      LYS   3   1.163  -8.049  -5.277
   14    HB3  LYS   3           HB3      LYS   3   1.524  -9.012  -3.857
   15    HG2  LYS   3           HG2      LYS   3   1.066 -10.478  -6.380
   16    HG3  LYS   3           HG3      LYS   3   2.539  -9.518  -6.264
   17    HD2  LYS   3           HD2      LYS   3   2.952 -10.709  -4.047
   18    HD3  LYS   3           HD3      LYS   3   1.665 -11.819  -4.529
   19    HE2  LYS   3           HE2      LYS   3   2.905 -12.369  -6.562
   20    HE3  LYS   3           HE3      LYS   3   4.183 -11.250  -6.092
   21    HZ1  LYS   3           HZ1      LYS   3   4.852 -13.441  -5.504
   22    HZ2  LYS   3           HZ2      LYS   3   3.396 -13.750  -4.702
   23    HZ3  LYS   3           HZ3      LYS   3   4.488 -12.626  -4.066
   24    HA   PRO   4           HA       PRO   4  -2.911  -8.719  -7.980
   25    HB2  PRO   4           HB2      PRO   4  -3.507  -5.966  -8.009
   26    HB3  PRO   4           HB3      PRO   4  -4.507  -7.244  -7.304
   27    HG2  PRO   4           HG2      PRO   4  -3.253  -5.192  -5.890
   28    HG3  PRO   4           HG3      PRO   4  -3.941  -6.669  -5.200
   29    HD2  PRO   4           HD2      PRO   4  -1.095  -6.046  -5.868
   30    HD3  PRO   4           HD3      PRO   4  -1.766  -6.965  -4.503
   31    H    ASN   5           H        ASN   5  -0.179  -6.724  -7.371
   32    HA   ASN   5           HA       ASN   5   1.255  -5.463  -8.589
   33    HB2  ASN   5           HB2      ASN   5   1.565  -6.921 -10.990
   34    HB3  ASN   5           HB3      ASN   5   2.594  -6.945  -9.569
   35   HD21  ASN   5          HD21      ASN   5   2.544  -8.673  -8.214
   36   HD22  ASN   5          HD22      ASN   5   1.678 -10.129  -8.555
   37    H    GLY   6           H        GLY   6   0.457  -3.587  -9.111
   38    HA2  GLY   6           HA2      GLY   6   0.173  -2.084 -11.004
   39    HA3  GLY   6           HA3      GLY   6  -0.853  -3.307 -11.741
   40    H    ALA   7           H        ALA   7  -1.298  -2.939  -8.367
   41    HA   ALA   7           HA       ALA   7  -3.896  -1.668  -8.824
   42    HB1  ALA   7           HB1      ALA   7  -3.877  -3.741  -7.555
   43    HB2  ALA   7           HB2      ALA   7  -4.415  -2.404  -6.537
   44    HB3  ALA   7           HB3      ALA   7  -2.774  -3.030  -6.377
   45    H    LYS   8           H        LYS   8  -4.615  -0.175  -6.900
   46    HA   LYS   8           HA       LYS   8  -2.533   1.862  -6.590
   47    HB2  LYS   8           HB2      LYS   8  -5.426   1.904  -6.978
   48    HB3  LYS   8           HB3      LYS   8  -4.884   2.993  -5.708
   49    HG2  LYS   8           HG2      LYS   8  -3.643   4.286  -7.158
   50    HG3  LYS   8           HG3      LYS   8  -3.502   2.992  -8.351
   51    HD2  LYS   8           HD2      LYS   8  -5.840   3.218  -8.928
   52    HD3  LYS   8           HD3      LYS   8  -6.061   4.432  -7.666
   53    HE2  LYS   8           HE2      LYS   8  -4.489   5.914  -8.823
   54    HE3  LYS   8           HE3      LYS   8  -4.273   4.700 -10.082
   55    HZ1  LYS   8           HZ1      LYS   8  -6.824   6.072  -9.423
   56    HZ2  LYS   8           HZ2      LYS   8  -6.618   4.906 -10.631
   57    HZ3  LYS   8           HZ3      LYS   8  -5.841   6.403 -10.760
   58    H    CYS   9           H        CYS   9  -2.113   2.871  -4.647
   59    HA   CYS   9           HA       CYS   9  -3.090   1.528  -2.212
   60    HB2  CYS   9           HB2      CYS   9  -0.320   2.067  -3.137
   61    HB3  CYS   9           HB3      CYS   9  -0.638   2.330  -1.428
   62    H    THR  10           H        THR  10  -4.619   3.145  -1.848
   63    HA   THR  10           HA       THR  10  -3.781   5.920  -1.630
   64    HB   THR  10           HB       THR  10  -6.506   5.058  -0.752
   65    HG1  THR  10           HG1      THR  10  -5.441   4.712  -3.320
   66   HG21  THR  10          HG21      THR  10  -5.894   7.426  -0.716
   67   HG22  THR  10          HG22      THR  10  -7.151   7.129  -1.918
   68   HG23  THR  10          HG23      THR  10  -5.478   7.357  -2.429
   69    H    GLU  11           H        GLU  11  -4.434   7.179   0.322
   70    HA   GLU  11           HA       GLU  11  -3.065   6.447   2.588
   71    HB2  GLU  11           HB2      GLU  11  -3.879   8.737   1.905
   72    HB3  GLU  11           HB3      GLU  11  -5.441   8.299   2.580
   73    HG2  GLU  11           HG2      GLU  11  -4.522   8.112   4.770
   74    HG3  GLU  11           HG3      GLU  11  -2.881   8.300   4.153
   75    H    ILE  12           H        ILE  12  -6.393   5.750   1.845
   76    HA   ILE  12           HA       ILE  12  -6.679   4.316   4.388
   77    HB   ILE  12           HB       ILE  12  -9.047   5.201   2.774
   78   HG12  ILE  12          HG12      ILE  12  -7.773   7.282   3.038
   79   HG13  ILE  12          HG13      ILE  12  -9.217   7.314   4.034
   80   HG21  ILE  12          HG21      ILE  12 -10.146   5.242   4.960
   81   HG22  ILE  12          HG22      ILE  12  -8.629   4.745   5.713
   82   HG23  ILE  12          HG23      ILE  12  -9.444   3.670   4.576
   83   HD11  ILE  12          HD11      ILE  12  -7.877   6.898   6.023
   84   HD12  ILE  12          HD12      ILE  12  -7.282   8.313   5.155
   85   HD13  ILE  12          HD13      ILE  12  -6.421   6.779   5.034
   86    H    SER  13           H        SER  13  -6.000   3.699   1.255
   87    HA   SER  13           HA       SER  13  -7.447   1.149   1.309
   88    HB2  SER  13           HB2      SER  13  -7.034   2.838  -1.164
   89    HB3  SER  13           HB3      SER  13  -7.801   1.252  -1.116
   90    HG   SER  13           HG       SER  13  -9.391   2.193   0.281
   91    H    ILE  14           H        ILE  14  -6.271  -0.601   1.023
   92    HA   ILE  14           HA       ILE  14  -3.783  -0.524  -0.467
   93    HB   ILE  14           HB       ILE  14  -2.437  -1.620   1.304
   94   HG12  ILE  14          HG12      ILE  14  -3.413  -0.952   3.732
   95   HG13  ILE  14          HG13      ILE  14  -4.924  -1.303   2.899
   96   HG21  ILE  14          HG21      ILE  14  -1.949   0.382   2.614
   97   HG22  ILE  14          HG22      ILE  14  -3.450   1.111   2.042
   98   HG23  ILE  14          HG23      ILE  14  -2.159   0.740   0.899
   99   HD11  ILE  14          HD11      ILE  14  -4.085  -3.259   4.065
  100   HD12  ILE  14          HD12      ILE  14  -2.576  -3.167   3.157
  101   HD13  ILE  14          HD13      ILE  14  -4.086  -3.523   2.321
  102    HA   PRO  15           HA       PRO  15  -5.307  -4.652  -1.410
  103    HB2  PRO  15           HB2      PRO  15  -3.278  -5.513  -2.977
  104    HB3  PRO  15           HB3      PRO  15  -4.382  -4.235  -3.519
  105    HG2  PRO  15           HG2      PRO  15  -1.640  -4.005  -2.377
  106    HG3  PRO  15           HG3      PRO  15  -2.358  -3.177  -3.776
  107    HD2  PRO  15           HD2      PRO  15  -2.149  -2.022  -1.319
  108    HD3  PRO  15           HD3      PRO  15  -3.429  -1.619  -2.480
  109    HA   PRO  16           HA       PRO  16  -3.179  -7.495   1.347
  110    HB2  PRO  16           HB2      PRO  16  -2.771  -9.733  -0.461
  111    HB3  PRO  16           HB3      PRO  16  -4.006  -9.543   0.794
  112    HG2  PRO  16           HG2      PRO  16  -4.591  -9.582  -1.846
  113    HG3  PRO  16           HG3      PRO  16  -5.543  -8.675  -0.655
  114    HD2  PRO  16           HD2      PRO  16  -3.428  -7.686  -2.522
  115    HD3  PRO  16           HD3      PRO  16  -5.013  -6.975  -2.138
  116    H    CYS  17           H        CYS  17  -1.554  -7.998  -1.797
  117    HA   CYS  17           HA       CYS  17   0.589  -8.357  -2.410
  118    HB2  CYS  17           HB2      CYS  17   1.348  -6.305  -0.344
  119    HB3  CYS  17           HB3      CYS  17   2.146  -6.646  -1.875
  120    H    CYS  18           H        CYS  18   1.380 -10.308  -2.019
  121    HA   CYS  18           HA       CYS  18   2.191 -11.053   0.678
  122    HB2  CYS  18           HB2      CYS  18   1.335 -12.508  -1.701
  123    HB3  CYS  18           HB3      CYS  18   2.720 -13.242  -0.896
  124    H    SER  19           H        SER  19   3.591 -10.267  -2.392
  125    HA   SER  19           HA       SER  19   6.267 -10.479  -1.196
  126    HB2  SER  19           HB2      SER  19   5.649 -11.320  -4.035
  127    HB3  SER  19           HB3      SER  19   7.219 -11.383  -3.237
  128    HG   SER  19           HG       SER  19   4.981 -12.762  -2.206
  129    H    ASN  20           H        ASN  20   4.010  -8.801  -3.117
  130    HA   ASN  20           HA       ASN  20   5.881  -6.993  -4.358
  131    HB2  ASN  20           HB2      ASN  20   2.884  -7.202  -4.262
  132    HB3  ASN  20           HB3      ASN  20   3.668  -5.791  -4.956
  133   HD21  ASN  20          HD21      ASN  20   4.969  -9.049  -5.185
  134   HD22  ASN  20          HD22      ASN  20   4.728  -9.224  -6.887
  135    H    PHE  21           H        PHE  21   4.783  -4.516  -4.112
  136    HA   PHE  21           HA       PHE  21   5.013  -3.932  -1.237
  137    HB2  PHE  21           HB2      PHE  21   6.095  -1.781  -1.897
  138    HB3  PHE  21           HB3      PHE  21   7.033  -3.202  -2.317
  139    HD1  PHE  21           HD1      PHE  21   4.668  -0.699  -3.813
  140    HD2  PHE  21           HD2      PHE  21   7.862  -3.443  -4.441
  141    HE1  PHE  21           HE1      PHE  21   4.965   0.154  -6.103
  142    HE2  PHE  21           HE2      PHE  21   8.156  -2.594  -6.726
  143    HZ   PHE  21           HZ       PHE  21   6.709  -0.789  -7.559
  144    H    CYS  22           H        CYS  22   4.212  -1.647  -0.739
  145    HA   CYS  22           HA       CYS  22   1.843  -0.939  -2.313
  146    HB2  CYS  22           HB2      CYS  22   1.039  -2.206  -0.365
  147    HB3  CYS  22           HB3      CYS  22   1.942  -1.145   0.712
  148    H    LEU  23           H        LEU  23   2.215   1.025  -3.056
  149    HA   LEU  23           HA       LEU  23   4.118   2.758  -1.768
  150    HB2  LEU  23           HB2      LEU  23   2.618   2.816  -4.344
  151    HB3  LEU  23           HB3      LEU  23   3.383   4.277  -3.766
  152    HG   LEU  23           HG       LEU  23   4.764   1.659  -4.387
  153   HD11  LEU  23          HD11      LEU  23   4.835   2.428  -6.464
  154   HD12  LEU  23          HD12      LEU  23   5.793   3.793  -5.891
  155   HD13  LEU  23          HD13      LEU  23   4.037   3.925  -5.981
  156   HD21  LEU  23          HD21      LEU  23   6.820   3.292  -4.171
  157   HD22  LEU  23          HD22      LEU  23   6.154   2.503  -2.743
  158   HD23  LEU  23          HD23      LEU  23   5.738   4.181  -3.098
  159    H    ARG  24           H        ARG  24   2.204   2.406  -0.041
  160    HA   ARG  24           HA       ARG  24   0.355   4.666  -0.047
  161    HB2  ARG  24           HB2      ARG  24  -0.004   2.167   0.825
  162    HB3  ARG  24           HB3      ARG  24   0.681   2.827   2.297
  163    HG2  ARG  24           HG2      ARG  24  -1.659   4.165   0.976
  164    HG3  ARG  24           HG3      ARG  24  -1.891   2.753   2.001
  165    HD2  ARG  24           HD2      ARG  24  -2.180   4.486   3.498
  166    HD3  ARG  24           HD3      ARG  24  -0.480   4.089   3.731
  167    HE   ARG  24           HE       ARG  24  -0.491   6.047   1.817
  168   HH11  ARG  24          HH11      ARG  24  -1.686   5.822   5.112
  169   HH12  ARG  24          HH12      ARG  24  -1.489   7.515   5.422
  170   HH21  ARG  24          HH21      ARG  24  -0.260   8.267   2.241
  171   HH22  ARG  24          HH22      ARG  24  -0.684   8.895   3.798
  172    H    TYR  25           H        TYR  25   2.746   5.682  -0.201
  173    HA   TYR  25           HA       TYR  25   4.275   6.040   2.133
  174    HB2  TYR  25           HB2      TYR  25   4.691   6.572  -0.459
  175    HB3  TYR  25           HB3      TYR  25   4.264   8.190   0.086
  176    HD1  TYR  25           HD1      TYR  25   5.743   9.447   1.519
  177    HD2  TYR  25           HD2      TYR  25   6.705   5.458   0.397
  178    HE1  TYR  25           HE1      TYR  25   8.036   9.777   2.337
  179    HE2  TYR  25           HE2      TYR  25   9.002   5.778   1.213
  180    HH   TYR  25           HH       TYR  25  10.565   7.628   1.640
  181    H    ALA  26           H        ALA  26   4.611   8.049   3.339
  182    HA   ALA  26           HA       ALA  26   2.192   9.111   4.385
  183    HB1  ALA  26           HB1      ALA  26   5.013  10.046   4.845
  184    HB2  ALA  26           HB2      ALA  26   4.192   8.770   5.744
  185    HB3  ALA  26           HB3      ALA  26   3.607  10.431   5.838
  186    H    GLY  27           H        GLY  27   4.164  10.080   1.770
  187    HA2  GLY  27           HA2      GLY  27   2.904  12.752   1.719
  188    HA3  GLY  27           HA3      GLY  27   4.466  12.390   1.004
  189    H    GLN  28           H        GLN  28   2.008  10.015   0.626
  190    HA   GLN  28           HA       GLN  28   1.348  10.981  -2.072
  191    HB2  GLN  28           HB2      GLN  28   2.307   8.231  -1.294
  192    HB3  GLN  28           HB3      GLN  28   1.413   8.523  -2.778
  193    HG2  GLN  28           HG2      GLN  28   3.159  10.125  -3.474
  194    HG3  GLN  28           HG3      GLN  28   4.071   9.717  -2.022
  195   HE21  GLN  28          HE21      GLN  28   5.052   7.703  -1.862
  196   HE22  GLN  28          HE22      GLN  28   5.296   6.687  -3.238
  197    H    LYS  29           H        LYS  29  -0.636  10.251  -2.921
  198    HA   LYS  29           HA       LYS  29  -2.491   9.051  -0.974
  199    HB2  LYS  29           HB2      LYS  29  -2.908  11.477  -2.718
  200    HB3  LYS  29           HB3      LYS  29  -4.257  10.574  -2.044
  201    HG2  LYS  29           HG2      LYS  29  -3.438  11.024   0.212
  202    HG3  LYS  29           HG3      LYS  29  -2.077  11.924  -0.462
  203    HD2  LYS  29           HD2      LYS  29  -3.637  13.513  -1.480
  204    HD3  LYS  29           HD3      LYS  29  -4.996  12.613  -0.804
  205    HE2  LYS  29           HE2      LYS  29  -4.176  13.076   1.454
  206    HE3  LYS  29           HE3      LYS  29  -2.818  13.973   0.778
  207    HZ1  LYS  29           HZ1      LYS  29  -5.686  14.679   0.461
  208    HZ2  LYS  29           HZ2      LYS  29  -4.384  15.541  -0.188
  209    HZ3  LYS  29           HZ3      LYS  29  -4.587  15.453   1.490
  210    H    SER  30           H        SER  30  -0.921   8.121  -3.450
  211    HA   SER  30           HA       SER  30  -2.916   6.401  -4.517
  212    HB2  SER  30           HB2      SER  30  -2.688   7.133  -6.916
  213    HB3  SER  30           HB3      SER  30  -3.547   8.290  -5.902
  214    HG   SER  30           HG       SER  30  -1.491   8.788  -7.403
  215    H    GLY  31           H        GLY  31  -1.362   4.964  -3.660
  216    HA2  GLY  31           HA2      GLY  31   1.249   4.836  -4.964
  217    HA3  GLY  31           HA3      GLY  31   0.728   3.882  -3.586
  218    H    THR  32           H        THR  32   1.780   2.092  -4.922
  219    HA   THR  32           HA       THR  32  -0.300   0.744  -6.383
  220    HB   THR  32           HB       THR  32   0.553   2.040  -8.231
  221    HG1  THR  32           HG1      THR  32   1.216  -0.705  -8.190
  222   HG21  THR  32          HG21      THR  32   2.765   2.647  -7.477
  223   HG22  THR  32          HG22      THR  32   2.911   1.797  -9.016
  224   HG23  THR  32          HG23      THR  32   3.285   0.962  -7.509
  225    H    CYS  33           H        CYS  33  -0.253  -1.318  -5.921
  226    HA   CYS  33           HA       CYS  33   2.053  -2.513  -4.671
  227    HB2  CYS  33           HB2      CYS  33  -0.241  -3.106  -3.918
  228    HB3  CYS  33           HB3      CYS  33  -0.536  -3.877  -5.472
  229    H    ALA  34           H        ALA  34   3.654  -3.216  -5.738
  230    HA   ALA  34           HA       ALA  34   3.427  -4.703  -8.221
  231    HB1  ALA  34           HB1      ALA  34   4.895  -2.085  -7.965
  232    HB2  ALA  34           HB2      ALA  34   3.603  -2.490  -9.093
  233    HB3  ALA  34           HB3      ALA  34   5.193  -3.236  -9.268
  234    H    ASN  35           H        ASN  35   5.792  -5.391  -8.898
  235    HA   ASN  35           HA       ASN  35   6.982  -6.604  -6.555
  236    HB2  ASN  35           HB2      ASN  35   7.475  -6.875  -9.517
  237    HB3  ASN  35           HB3      ASN  35   8.546  -7.620  -8.336
  238   HD21  ASN  35          HD21      ASN  35   5.431  -7.696  -9.832
  239   HD22  ASN  35          HD22      ASN  35   4.920  -9.207  -9.172
  240    H    ARG  36           H        ARG  36   9.084  -6.399  -5.845
  241    HA   ARG  36           HA       ARG  36  10.358  -3.841  -6.507
  242    HB2  ARG  36           HB2      ARG  36   9.720  -4.809  -4.088
  243    HB3  ARG  36           HB3      ARG  36  11.328  -5.500  -4.236
  244    HG2  ARG  36           HG2      ARG  36  12.284  -3.301  -4.546
  245    HG3  ARG  36           HG3      ARG  36  10.677  -2.572  -4.512
  246    HD2  ARG  36           HD2      ARG  36  10.379  -3.392  -2.212
  247    HD3  ARG  36           HD3      ARG  36  12.009  -4.065  -2.253
  248    HE   ARG  36           HE       ARG  36  12.366  -1.438  -2.867
  249   HH11  ARG  36          HH11      ARG  36  10.833  -3.085  -0.170
  250   HH12  ARG  36          HH12      ARG  36  11.187  -1.815   0.954
  251   HH21  ARG  36          HH21      ARG  36  12.309   0.048   0.269
  252   HH22  ARG  36          HH22      ARG  36  12.817   0.211  -1.379