*HEADER    ANTIMICROBIAL PROTEIN                   22-MAR-18   6CT4              
*TITLE     TFE-INDUCED NMR STRUCTURE OF AN ANTIMICROBIAL PEPTIDE (ECDBS1R5)      
*TITLE    2 DERIVED FROM A MERCURY TRANSPORTER PROTEIN (MERP - ESCHERICHIA COLI) 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ECDBS1R5;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: MERP PROTEIN;                                               
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   4 ORGANISM_TAXID: 562;                                                 
*SOURCE   5 OTHER_DETAILS: MERCURY ION TRANSPORT PROTEIN-DERIVED PEPTIDE         
*KEYWDS    ANTIMICROBIAL PEPTIDE, ANTIBIOTICS, BACTERIAL RESISTANCE, DRUG        
*KEYWDS   2 DESIGN, ANTIMICROBIAL PROTEIN                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.H.CARDOSO,L.Y.CHAN,E.S.CANDIDO,D.J.CRAIK,O.L.FRANCO                 
*REVDAT   1   14-NOV-18 6CT4    0                                                
# Restraints file 1: EcDBS1R5.upl
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H2   PRO   1           HT1      PRO   1 -18.035   2.869  -0.783
    2    H3   PRO   1           HT2      PRO   1 -18.682   3.095   0.706
    3    HA   PRO   1           HA       PRO   1 -17.035   4.769   0.195
    4    HB2  PRO   1           HB2      PRO   1 -15.218   3.787   1.964
    5    HB3  PRO   1           HB1      PRO   1 -16.774   4.482   2.450
    6    HG2  PRO   1           HG2      PRO   1 -16.027   1.603   2.093
    7    HG3  PRO   1           HG1      PRO   1 -16.989   2.354   3.380
    8    HD2  PRO   1           HD2      PRO   1 -18.218   1.022   1.439
    9    HD3  PRO   1           HD1      PRO   1 -18.858   2.507   2.098
   10    H    MET   2           HN       MET   2 -14.575   5.033  -0.054
   11    HA   MET   2           HA       MET   2 -13.672   3.103  -2.041
   12    HB2  MET   2           HB2      MET   2 -11.884   4.753  -2.555
   13    HB3  MET   2           HB1      MET   2 -13.489   5.442  -2.729
   14    HG2  MET   2           HG2      MET   2 -13.272   6.564  -0.615
   15    HG3  MET   2           HG1      MET   2 -11.718   5.806  -0.326
   16    HE1  MET   2           HE1      MET   2 -10.793   9.523  -0.803
   17    HE2  MET   2           HE2      MET   2 -10.661   8.092   0.217
   18    HE3  MET   2           HE3      MET   2 -12.228   8.860  -0.025
   19    H    LYS   3           HN       LYS   3 -11.876   1.877  -1.786
   20    HA   LYS   3           HA       LYS   3 -10.796   1.775   0.941
   21    HB2  LYS   3           HB2      LYS   3 -10.398  -0.620   0.489
   22    HB3  LYS   3           HB1      LYS   3 -12.102  -0.198   0.426
   23    HG2  LYS   3           HG2      LYS   3 -12.017  -0.193  -2.020
   24    HG3  LYS   3           HG1      LYS   3 -10.303  -0.606  -1.968
   25    HD2  LYS   3           HD2      LYS   3 -12.570  -2.293  -0.896
   26    HD3  LYS   3           HD1      LYS   3 -11.715  -2.561  -2.413
   27    HE2  LYS   3           HE2      LYS   3  -9.630  -2.914  -1.183
   28    HE3  LYS   3           HE1      LYS   3 -10.472  -2.619   0.333
   29    HZ1  LYS   3           HZ1      LYS   3 -11.853  -4.538  -0.112
   30    HZ2  LYS   3           HZ2      LYS   3 -10.225  -4.932  -0.026
   31    HZ3  LYS   3           HZ3      LYS   3 -10.995  -4.874  -1.531
   32    H    LYS   4           HN       LYS   4  -9.890   3.385  -1.277
   33    HA   LYS   4           HA       LYS   4  -7.684   2.343  -2.642
   34    HB2  LYS   4           HB2      LYS   4  -8.376   5.174  -1.891
   35    HB3  LYS   4           HB1      LYS   4  -6.995   4.756  -2.886
   36    HG2  LYS   4           HG2      LYS   4  -9.859   4.109  -3.560
   37    HG3  LYS   4           HG1      LYS   4  -8.957   5.490  -4.186
   38    HD2  LYS   4           HD2      LYS   4  -7.308   3.931  -5.167
   39    HD3  LYS   4           HD1      LYS   4  -8.278   2.575  -4.598
   40    HE2  LYS   4           HE2      LYS   4 -10.142   3.330  -5.964
   41    HE3  LYS   4           HE1      LYS   4  -9.187   4.698  -6.535
   42    HZ1  LYS   4           HZ1      LYS   4  -8.644   1.814  -7.029
   43    HZ2  LYS   4           HZ2      LYS   4  -7.610   3.071  -7.449
   44    HZ3  LYS   4           HZ3      LYS   4  -9.128   2.977  -8.156
   45    H    LEU   5           HN       LEU   5  -7.903   3.790   0.543
   46    HA   LEU   5           HA       LEU   5  -5.091   4.021   0.893
   47    HB2  LEU   5           HB2      LEU   5  -5.461   4.609   3.148
   48    HB3  LEU   5           HB1      LEU   5  -6.841   5.239   2.290
   49    HG   LEU   5           HG       LEU   5  -6.850   2.722   3.978
   50   HD11  LEU   5          HD11      LEU   5  -6.488   4.677   5.340
   51   HD12  LEU   5          HD12      LEU   5  -8.124   4.057   5.578
   52   HD13  LEU   5          HD13      LEU   5  -7.860   5.487   4.583
   53   HD21  LEU   5          HD21      LEU   5  -9.254   2.804   3.819
   54   HD22  LEU   5          HD22      LEU   5  -8.589   2.765   2.182
   55   HD23  LEU   5          HD23      LEU   5  -9.181   4.282   2.871
   56    H    LYS   6           HN       LYS   6  -7.379   1.487   1.411
   57    HA   LYS   6           HA       LYS   6  -5.638  -0.184   2.953
   58    HB2  LYS   6           HB2      LYS   6  -8.138  -0.266   3.078
   59    HB3  LYS   6           HB1      LYS   6  -8.161  -0.904   1.445
   60    HG2  LYS   6           HG2      LYS   6  -8.469  -2.687   3.031
   61    HG3  LYS   6           HG1      LYS   6  -6.908  -2.884   2.229
   62    HD2  LYS   6           HD2      LYS   6  -5.773  -1.962   4.167
   63    HD3  LYS   6           HD1      LYS   6  -7.318  -1.631   4.950
   64    HE2  LYS   6           HE2      LYS   6  -7.794  -4.055   4.945
   65    HE3  LYS   6           HE1      LYS   6  -6.205  -4.341   4.237
   66    HZ1  LYS   6           HZ1      LYS   6  -6.204  -4.652   6.640
   67    HZ2  LYS   6           HZ2      LYS   6  -6.679  -3.036   6.862
   68    HZ3  LYS   6           HZ3      LYS   6  -5.189  -3.386   6.204
   69    H    LEU   7           HN       LEU   7  -6.748   0.034  -0.379
   70    HA   LEU   7           HA       LEU   7  -5.395  -2.169  -1.447
   71    HB2  LEU   7           HB2      LEU   7  -6.051   0.471  -2.761
   72    HB3  LEU   7           HB1      LEU   7  -5.538  -0.966  -3.615
   73    HG   LEU   7           HG       LEU   7  -8.104  -0.690  -2.046
   74   HD11  LEU   7          HD11      LEU   7  -7.600  -0.751  -5.015
   75   HD12  LEU   7          HD12      LEU   7  -8.113   0.648  -4.070
   76   HD13  LEU   7          HD13      LEU   7  -9.183  -0.743  -4.236
   77   HD21  LEU   7          HD21      LEU   7  -8.693  -2.831  -3.099
   78   HD22  LEU   7          HD22      LEU   7  -7.292  -2.982  -2.040
   79   HD23  LEU   7          HD23      LEU   7  -7.077  -2.918  -3.792
   80    H    ALA   8           HN       ALA   8  -4.419   1.231  -1.226
   81    HA   ALA   8           HA       ALA   8  -1.889   0.980  -2.376
   82    HB1  ALA   8           HB1      ALA   8  -2.767   2.919  -0.239
   83    HB2  ALA   8           HB2      ALA   8  -2.974   3.143  -1.976
   84    HB3  ALA   8           HB3      ALA   8  -1.356   3.092  -1.280
   85    H    LEU   9           HN       LEU   9  -2.962   0.533   0.938
   86    HA   LEU   9           HA       LEU   9  -0.370   0.264   2.041
   87    HB2  LEU   9           HB2      LEU   9  -2.399   0.899   3.318
   88    HB3  LEU   9           HB1      LEU   9  -3.008  -0.728   3.115
   89    HG   LEU   9           HG       LEU   9  -1.114  -1.590   4.438
   90   HD11  LEU   9          HD11      LEU   9   0.290  -0.021   5.677
   91   HD12  LEU   9          HD12      LEU   9  -0.441   1.327   4.808
   92   HD13  LEU   9          HD13      LEU   9   0.525   0.132   3.940
   93   HD21  LEU   9          HD21      LEU   9  -2.692   0.599   5.787
   94   HD22  LEU   9          HD22      LEU   9  -1.875  -0.737   6.599
   95   HD23  LEU   9          HD23      LEU   9  -3.236  -1.057   5.525
   96    H    ARG  10           HN       ARG  10  -2.523  -1.950   0.436
   97    HA   ARG  10           HA       ARG  10  -0.989  -4.242   1.332
   98    HB2  ARG  10           HB2      ARG  10  -3.294  -4.090  -0.618
   99    HB3  ARG  10           HB1      ARG  10  -2.501  -5.578  -0.129
  100    HG2  ARG  10           HG2      ARG  10  -4.003  -3.706   1.708
  101    HG3  ARG  10           HG1      ARG  10  -4.628  -5.215   1.053
  102    HD2  ARG  10           HD2      ARG  10  -3.904  -5.585   3.332
  103    HD3  ARG  10           HD1      ARG  10  -2.809  -6.432   2.246
  104    HE   ARG  10           HE       ARG  10  -1.776  -3.873   2.843
  105   HH11  ARG  10          HH11      ARG  10  -2.317  -6.970   4.484
  106   HH12  ARG  10          HH12      ARG  10  -0.954  -6.830   5.477
  107   HH21  ARG  10          HH21      ARG  10   0.151  -3.692   4.213
  108   HH22  ARG  10          HH22      ARG  10   0.466  -4.926   5.314
  109    H    LEU  11           HN       LEU  11  -1.335  -2.289  -1.518
  110    HA   LEU  11           HA       LEU  11   0.372  -3.816  -3.160
  111    HB2  LEU  11           HB2      LEU  11  -0.154  -0.836  -3.209
  112    HB3  LEU  11           HB1      LEU  11   0.576  -1.761  -4.507
  113    HG   LEU  11           HG       LEU  11  -2.260  -2.062  -3.512
  114   HD11  LEU  11          HD11      LEU  11  -1.923   0.013  -4.738
  115   HD12  LEU  11          HD12      LEU  11  -2.924  -1.124  -5.639
  116   HD13  LEU  11          HD13      LEU  11  -1.237  -0.895  -6.089
  117   HD21  LEU  11          HD21      LEU  11  -2.562  -3.531  -5.453
  118   HD22  LEU  11          HD22      LEU  11  -1.395  -4.182  -4.308
  119   HD23  LEU  11          HD23      LEU  11  -0.836  -3.418  -5.798
  120    H    ALA  12           HN       ALA  12   0.931  -1.204  -0.866
  121    HA   ALA  12           HA       ALA  12   3.718  -0.957  -1.278
  122    HB1  ALA  12           HB1      ALA  12   2.369   0.792  -0.198
  123    HB2  ALA  12           HB2      ALA  12   3.737   0.306   0.802
  124    HB3  ALA  12           HB3      ALA  12   2.117  -0.271   1.186
  125    H    ALA  13           HN       ALA  13   1.864  -3.323   0.325
  126    HA   ALA  13           HA       ALA  13   3.878  -4.134   2.164
  127    HB1  ALA  13           HB1      ALA  13   1.517  -4.664   2.571
  128    HB2  ALA  13           HB2      ALA  13   2.497  -6.129   2.514
  129    HB3  ALA  13           HB3      ALA  13   1.497  -5.681   1.131
  130    H    LYS  14           HN       LYS  14   2.971  -4.968  -1.118
  131    HA   LYS  14           HA       LYS  14   5.059  -6.997  -1.195
  132    HB2  LYS  14           HB2      LYS  14   2.940  -6.240  -3.202
  133    HB3  LYS  14           HB1      LYS  14   4.280  -7.287  -3.623
  134    HG2  LYS  14           HG2      LYS  14   2.387  -8.651  -3.143
  135    HG3  LYS  14           HG1      LYS  14   3.546  -8.850  -1.837
  136    HD2  LYS  14           HD2      LYS  14   2.239  -7.319  -0.444
  137    HD3  LYS  14           HD1      LYS  14   1.088  -7.098  -1.763
  138    HE2  LYS  14           HE2      LYS  14   1.707  -9.693  -0.365
  139    HE3  LYS  14           HE1      LYS  14   0.264  -8.711  -0.121
  140    HZ1  LYS  14           HZ1      LYS  14   1.053 -10.042  -2.661
  141    HZ2  LYS  14           HZ2      LYS  14  -0.297  -9.060  -2.451
  142    HZ3  LYS  14           HZ3      LYS  14  -0.194 -10.525  -1.632
  143    H    ILE  15           HN       ILE  15   4.302  -3.847  -2.555
  144    HA   ILE  15           HA       ILE  15   7.010  -3.774  -3.642
  145    HB   ILE  15           HB       ILE  15   4.783  -1.718  -3.999
  146   HG12  ILE  15          HG12      ILE  15   5.661  -3.862  -5.957
  147   HG13  ILE  15          HG11      ILE  15   4.186  -3.932  -5.000
  148   HG21  ILE  15          HG21      ILE  15   7.397  -2.131  -5.475
  149   HG22  ILE  15          HG22      ILE  15   7.055  -0.847  -4.319
  150   HG23  ILE  15          HG23      ILE  15   6.191  -0.901  -5.857
  151   HD11  ILE  15          HD11      ILE  15   3.355  -1.942  -6.150
  152   HD12  ILE  15          HD12      ILE  15   3.746  -3.230  -7.290
  153   HD13  ILE  15          HD13      ILE  15   4.845  -1.865  -7.089
  154    H    ALA  16           HN       ALA  16   8.026  -3.591  -1.726
  155    HA   ALA  16           HA       ALA  16   7.049  -1.859   0.340
  156    HB1  ALA  16           HB1      ALA  16   8.900  -2.704   1.666
  157    HB2  ALA  16           HB2      ALA  16   9.577  -3.491   0.240
  158    HB3  ALA  16           HB3      ALA  16   8.026  -4.023   0.887
  159    HA   PRO  17           HA       PRO  17   9.683   1.511  -1.047
  160    HB2  PRO  17           HB2      PRO  17   8.426   3.156   0.971
  161    HB3  PRO  17           HB1      PRO  17   8.230   3.253  -0.779
  162    HG2  PRO  17           HG2      PRO  17   6.244   2.460   0.949
  163    HG3  PRO  17           HG1      PRO  17   6.325   2.008  -0.759
  164    HD2  PRO  17           HD2      PRO  17   7.074   0.422   1.659
  165    HD3  PRO  17           HD1      PRO  17   6.297  -0.091   0.141
  166    H    VAL  18           HN       VAL  18  11.543   0.705  -0.195
  167    HA   VAL  18           HA       VAL  18  11.936   0.961   2.671
  168    HB   VAL  18           HB       VAL  18  13.975  -0.503   2.331
  169   HG11  VAL  18          HG11      VAL  18  11.845  -1.401   3.120
  170   HG12  VAL  18          HG12      VAL  18  12.672  -2.565   2.086
  171   HG13  VAL  18          HG13      VAL  18  11.315  -1.631   1.455
  172   HG21  VAL  18          HG21      VAL  18  14.105  -1.816   0.249
  173   HG22  VAL  18          HG22      VAL  18  14.337  -0.096  -0.066
  174   HG23  VAL  18          HG23      VAL  18  12.790  -0.859  -0.432
  175    H    TRP  19           HN       TRP  19  13.576   1.800  -0.374
  176    HA   TRP  19           HA       TRP  19  14.532   4.225   0.664
  177    HB2  TRP  19           HB2      TRP  19  16.060   2.483   1.796
  178    HB3  TRP  19           HB1      TRP  19  16.684   2.141   0.193
  179    HD1  TRP  19           HD1      TRP  19  16.850   4.640   3.006
  180    HE1  TRP  19           HE1      TRP  19  18.738   6.348   2.544
  181    HE3  TRP  19           HE3      TRP  19  17.902   3.381  -1.819
  182    HZ2  TRP  19           HZ2      TRP  19  20.431   7.057   0.388
  183    HZ3  TRP  19           HZ3      TRP  19  19.660   4.618  -3.013
  184    HH2  TRP  19           HH2      TRP  19  20.891   6.414  -1.929
  Start of MODEL    2
    1    H2   PRO   1           HT1      PRO   1 -11.104   0.863  -6.333
    2    H3   PRO   1           HT2      PRO   1 -11.949   0.113  -7.526
    3    HA   PRO   1           HA       PRO   1 -13.280   1.407  -6.009
    4    HB2  PRO   1           HB2      PRO   1 -14.097  -1.284  -5.158
    5    HB3  PRO   1           HB1      PRO   1 -14.976  -0.100  -6.137
    6    HG2  PRO   1           HG2      PRO   1 -13.900  -2.303  -7.245
    7    HG3  PRO   1           HG1      PRO   1 -13.957  -0.753  -8.104
    8    HD2  PRO   1           HD2      PRO   1 -11.703  -2.099  -6.722
    9    HD3  PRO   1           HD1      PRO   1 -11.667  -1.228  -8.232
   10    H    MET   2           HN       MET   2 -14.376   0.977  -3.699
   11    HA   MET   2           HA       MET   2 -14.193   1.007  -1.445
   12    HB2  MET   2           HB2      MET   2 -11.781  -0.786  -1.870
   13    HB3  MET   2           HB1      MET   2 -12.450  -0.397  -0.300
   14    HG2  MET   2           HG2      MET   2 -14.538  -1.517  -0.943
   15    HG3  MET   2           HG1      MET   2 -13.812  -1.923  -2.499
   16    HE1  MET   2           HE1      MET   2 -13.858  -5.386  -0.649
   17    HE2  MET   2           HE2      MET   2 -14.382  -4.486  -2.072
   18    HE3  MET   2           HE3      MET   2 -15.067  -4.113  -0.492
   19    H    LYS   3           HN       LYS   3 -12.158   1.310   0.319
   20    HA   LYS   3           HA       LYS   3 -11.105   3.873  -0.229
   21    HB2  LYS   3           HB2      LYS   3 -10.246   1.841   1.831
   22    HB3  LYS   3           HB1      LYS   3  -9.836   3.546   1.837
   23    HG2  LYS   3           HG2      LYS   3 -12.185   4.109   2.172
   24    HG3  LYS   3           HG1      LYS   3 -12.593   2.387   2.152
   25    HD2  LYS   3           HD2      LYS   3 -11.090   2.025   4.047
   26    HD3  LYS   3           HD1      LYS   3 -10.740   3.748   4.072
   27    HE2  LYS   3           HE2      LYS   3 -13.080   4.233   4.556
   28    HE3  LYS   3           HE1      LYS   3 -13.453   2.509   4.500
   29    HZ1  LYS   3           HZ1      LYS   3 -13.183   3.256   6.756
   30    HZ2  LYS   3           HZ2      LYS   3 -11.634   3.833   6.438
   31    HZ3  LYS   3           HZ3      LYS   3 -11.956   2.170   6.366
   32    H    LYS   4           HN       LYS   4  -9.511   4.198  -1.630
   33    HA   LYS   4           HA       LYS   4  -7.922   2.107  -2.643
   34    HB2  LYS   4           HB2      LYS   4  -6.689   3.861  -3.859
   35    HB3  LYS   4           HB1      LYS   4  -8.430   3.981  -4.054
   36    HG2  LYS   4           HG2      LYS   4  -8.508   5.797  -2.461
   37    HG3  LYS   4           HG1      LYS   4  -6.770   5.650  -2.185
   38    HD2  LYS   4           HD2      LYS   4  -6.356   6.177  -4.524
   39    HD3  LYS   4           HD1      LYS   4  -8.093   6.322  -4.803
   40    HE2  LYS   4           HE2      LYS   4  -8.207   8.145  -3.210
   41    HE3  LYS   4           HE1      LYS   4  -6.487   7.982  -2.880
   42    HZ1  LYS   4           HZ1      LYS   4  -6.017   8.593  -5.155
   43    HZ2  LYS   4           HZ2      LYS   4  -6.965   9.782  -4.454
   44    HZ3  LYS   4           HZ3      LYS   4  -7.651   8.669  -5.516
   45    H    LEU   5           HN       LEU   5  -7.525   4.157   0.094
   46    HA   LEU   5           HA       LEU   5  -4.711   3.792   0.286
   47    HB2  LEU   5           HB2      LEU   5  -6.689   4.470   2.451
   48    HB3  LEU   5           HB1      LEU   5  -4.956   4.430   2.678
   49    HG   LEU   5           HG       LEU   5  -6.561   6.367   1.035
   50   HD11  LEU   5          HD11      LEU   5  -5.509   8.004   2.514
   51   HD12  LEU   5          HD12      LEU   5  -4.701   6.694   3.368
   52   HD13  LEU   5          HD13      LEU   5  -6.459   6.814   3.404
   53   HD21  LEU   5          HD21      LEU   5  -4.425   7.407   0.412
   54   HD22  LEU   5          HD22      LEU   5  -4.592   5.795  -0.271
   55   HD23  LEU   5          HD23      LEU   5  -3.558   6.052   1.137
   56    H    LYS   6           HN       LYS   6  -7.463   1.894   1.245
   57    HA   LYS   6           HA       LYS   6  -5.982   0.153   2.960
   58    HB2  LYS   6           HB2      LYS   6  -8.487   0.370   3.033
   59    HB3  LYS   6           HB1      LYS   6  -8.561  -0.426   1.467
   60    HG2  LYS   6           HG2      LYS   6  -7.472  -2.404   2.455
   61    HG3  LYS   6           HG1      LYS   6  -7.514  -1.609   4.025
   62    HD2  LYS   6           HD2      LYS   6  -9.959  -1.533   3.907
   63    HD3  LYS   6           HD1      LYS   6  -9.907  -2.337   2.337
   64    HE2  LYS   6           HE2      LYS   6  -9.006  -3.459   4.997
   65    HE3  LYS   6           HE1      LYS   6 -10.378  -3.984   4.029
   66    HZ1  LYS   6           HZ1      LYS   6  -8.820  -4.679   2.296
   67    HZ2  LYS   6           HZ2      LYS   6  -8.548  -5.490   3.739
   68    HZ3  LYS   6           HZ3      LYS   6  -7.509  -4.254   3.280
   69    H    LEU   7           HN       LEU   7  -6.704   0.381  -0.405
   70    HA   LEU   7           HA       LEU   7  -5.656  -2.132  -1.191
   71    HB2  LEU   7           HB2      LEU   7  -5.797   0.409  -2.820
   72    HB3  LEU   7           HB1      LEU   7  -5.637  -1.217  -3.444
   73    HG   LEU   7           HG       LEU   7  -8.068  -0.057  -2.083
   74   HD11  LEU   7          HD11      LEU   7  -9.108  -0.292  -4.269
   75   HD12  LEU   7          HD12      LEU   7  -7.584  -0.876  -4.935
   76   HD13  LEU   7          HD13      LEU   7  -7.707   0.777  -4.340
   77   HD21  LEU   7          HD21      LEU   7  -7.847  -2.431  -1.559
   78   HD22  LEU   7          HD22      LEU   7  -7.644  -2.796  -3.274
   79   HD23  LEU   7          HD23      LEU   7  -9.179  -2.159  -2.683
   80    H    ALA   8           HN       ALA   8  -4.396   1.173  -1.187
   81    HA   ALA   8           HA       ALA   8  -1.824   0.716  -2.075
   82    HB1  ALA   8           HB1      ALA   8  -1.226   2.838  -1.060
   83    HB2  ALA   8           HB2      ALA   8  -2.673   2.787  -0.055
   84    HB3  ALA   8           HB3      ALA   8  -2.821   2.950  -1.806
   85    H    LEU   9           HN       LEU   9  -3.048   0.527   1.243
   86    HA   LEU   9           HA       LEU   9  -0.616   0.080   2.537
   87    HB2  LEU   9           HB2      LEU   9  -3.363  -0.942   3.243
   88    HB3  LEU   9           HB1      LEU   9  -1.978  -1.070   4.300
   89    HG   LEU   9           HG       LEU   9  -3.241   1.508   3.370
   90   HD11  LEU   9          HD11      LEU   9  -3.960   1.726   5.693
   91   HD12  LEU   9          HD12      LEU   9  -3.294   0.134   6.051
   92   HD13  LEU   9          HD13      LEU   9  -4.650   0.292   4.934
   93   HD21  LEU   9          HD21      LEU   9  -0.845   1.783   3.748
   94   HD22  LEU   9          HD22      LEU   9  -0.990   1.006   5.323
   95   HD23  LEU   9          HD23      LEU   9  -1.764   2.563   5.035
   96    H    ARG  10           HN       ARG  10  -2.649  -2.189   0.801
   97    HA   ARG  10           HA       ARG  10  -0.974  -4.376   1.670
   98    HB2  ARG  10           HB2      ARG  10  -3.399  -4.309  -0.103
   99    HB3  ARG  10           HB1      ARG  10  -2.453  -5.768   0.139
  100    HG2  ARG  10           HG2      ARG  10  -3.771  -4.207   2.356
  101    HG3  ARG  10           HG1      ARG  10  -4.481  -5.617   1.572
  102    HD2  ARG  10           HD2      ARG  10  -3.468  -6.331   3.640
  103    HD3  ARG  10           HD1      ARG  10  -2.502  -6.949   2.310
  104    HE   ARG  10           HE       ARG  10  -1.630  -4.460   3.570
  105   HH11  ARG  10          HH11      ARG  10  -1.136  -7.962   3.243
  106   HH12  ARG  10          HH12      ARG  10   0.415  -7.948   3.917
  107   HH21  ARG  10          HH21      ARG  10   0.555  -4.473   4.515
  108   HH22  ARG  10          HH22      ARG  10   1.371  -5.957   4.670
  109    H    LEU  11           HN       LEU  11  -1.390  -2.420  -1.165
  110    HA   LEU  11           HA       LEU  11   0.388  -3.973  -2.744
  111    HB2  LEU  11           HB2      LEU  11  -0.819  -1.262  -3.044
  112    HB3  LEU  11           HB1      LEU  11   0.564  -1.670  -4.033
  113    HG   LEU  11           HG       LEU  11  -1.503  -1.995  -5.259
  114   HD11  LEU  11          HD11      LEU  11   0.375  -3.430  -5.768
  115   HD12  LEU  11          HD12      LEU  11  -1.161  -4.238  -6.052
  116   HD13  LEU  11          HD13      LEU  11  -0.213  -4.635  -4.620
  117   HD21  LEU  11          HD21      LEU  11  -3.030  -2.489  -3.417
  118   HD22  LEU  11          HD22      LEU  11  -2.228  -4.039  -3.161
  119   HD23  LEU  11          HD23      LEU  11  -3.111  -3.737  -4.659
  120    H    ALA  12           HN       ALA  12   0.822  -1.430  -0.438
  121    HA   ALA  12           HA       ALA  12   3.492  -0.776  -1.044
  122    HB1  ALA  12           HB1      ALA  12   3.580   0.179   1.198
  123    HB2  ALA  12           HB2      ALA  12   2.084  -0.657   1.619
  124    HB3  ALA  12           HB3      ALA  12   2.071   0.609   0.392
  125    H    ALA  13           HN       ALA  13   2.083  -3.460   0.576
  126    HA   ALA  13           HA       ALA  13   4.458  -4.361   1.862
  127    HB1  ALA  13           HB1      ALA  13   2.233  -5.129   2.566
  128    HB2  ALA  13           HB2      ALA  13   3.277  -6.482   2.131
  129    HB3  ALA  13           HB3      ALA  13   2.026  -5.938   1.013
  130    H    LYS  14           HN       LYS  14   3.089  -4.681  -1.327
  131    HA   LYS  14           HA       LYS  14   4.965  -6.720  -2.159
  132    HB2  LYS  14           HB2      LYS  14   2.978  -5.059  -3.711
  133    HB3  LYS  14           HB1      LYS  14   3.879  -6.423  -4.347
  134    HG2  LYS  14           HG2      LYS  14   1.850  -6.542  -2.122
  135    HG3  LYS  14           HG1      LYS  14   1.573  -7.022  -3.798
  136    HD2  LYS  14           HD2      LYS  14   3.383  -8.683  -3.566
  137    HD3  LYS  14           HD1      LYS  14   3.528  -8.257  -1.865
  138    HE2  LYS  14           HE2      LYS  14   1.246  -8.958  -1.460
  139    HE3  LYS  14           HE1      LYS  14   1.031  -9.314  -3.175
  140    HZ1  LYS  14           HZ1      LYS  14   1.463 -11.316  -1.945
  141    HZ2  LYS  14           HZ2      LYS  14   2.881 -10.683  -1.309
  142    HZ3  LYS  14           HZ3      LYS  14   2.779 -10.993  -2.960
  143    H    ILE  15           HN       ILE  15   4.435  -3.263  -2.544
  144    HA   ILE  15           HA       ILE  15   7.167  -2.774  -3.001
  145    HB   ILE  15           HB       ILE  15   6.670  -3.493  -5.275
  146   HG12  ILE  15          HG12      ILE  15   7.221  -1.416  -6.571
  147   HG13  ILE  15          HG11      ILE  15   6.935  -0.498  -5.097
  148   HG21  ILE  15          HG21      ILE  15   4.289  -3.219  -5.362
  149   HG22  ILE  15          HG22      ILE  15   5.035  -2.391  -6.728
  150   HG23  ILE  15          HG23      ILE  15   4.457  -1.464  -5.345
  151   HD11  ILE  15          HD11      ILE  15   9.040  -2.615  -5.455
  152   HD12  ILE  15          HD12      ILE  15   8.771  -1.648  -4.001
  153   HD13  ILE  15          HD13      ILE  15   9.303  -0.874  -5.491
  154    H    ALA  16           HN       ALA  16   7.394  -1.144  -1.723
  155    HA   ALA  16           HA       ALA  16   5.227   0.703  -1.226
  156    HB1  ALA  16           HB1      ALA  16   6.642   1.515   0.592
  157    HB2  ALA  16           HB2      ALA  16   7.951   0.470   0.042
  158    HB3  ALA  16           HB3      ALA  16   6.457  -0.236   0.654
  159    HA   PRO  17           HA       PRO  17   6.755   3.700  -4.061
  160    HB2  PRO  17           HB2      PRO  17   5.586   5.939  -3.028
  161    HB3  PRO  17           HB1      PRO  17   4.706   4.719  -3.956
  162    HG2  PRO  17           HG2      PRO  17   4.867   5.102  -0.997
  163    HG3  PRO  17           HG1      PRO  17   3.462   4.690  -1.992
  164    HD2  PRO  17           HD2      PRO  17   4.819   2.851  -0.557
  165    HD3  PRO  17           HD1      PRO  17   4.036   2.462  -2.100
  166    H    VAL  18           HN       VAL  18   7.015   4.610  -0.630
  167    HA   VAL  18           HA       VAL  18   9.491   6.036  -1.337
  168    HB   VAL  18           HB       VAL  18   7.486   6.850   0.787
  169   HG11  VAL  18          HG11      VAL  18   8.940   8.801   1.176
  170   HG12  VAL  18          HG12      VAL  18  10.137   8.115   0.075
  171   HG13  VAL  18          HG13      VAL  18   9.749   7.287   1.580
  172   HG21  VAL  18          HG21      VAL  18   8.347   8.193  -1.772
  173   HG22  VAL  18          HG22      VAL  18   7.265   8.891  -0.572
  174   HG23  VAL  18          HG23      VAL  18   6.779   7.444  -1.461
  175    H    TRP  19           HN       TRP  19   7.856   4.498   1.441
  176    HA   TRP  19           HA       TRP  19  10.205   4.403   2.936
  177    HB2  TRP  19           HB2      TRP  19   8.877   2.905   4.489
  178    HB3  TRP  19           HB1      TRP  19   8.228   4.507   4.190
  179    HD1  TRP  19           HD1      TRP  19   7.372   0.847   3.926
  180    HE1  TRP  19           HE1      TRP  19   4.934   0.587   3.114
  181    HE3  TRP  19           HE3      TRP  19   6.444   5.689   2.557
  182    HZ2  TRP  19           HZ2      TRP  19   2.906   2.222   2.018
  183    HZ3  TRP  19           HZ3      TRP  19   4.230   6.247   1.626
  184    HH2  TRP  19           HH2      TRP  19   2.508   4.547   1.371
  Start of MODEL    3
    1    H2   PRO   1           HT1      PRO   1 -18.041   1.878   1.895
    2    H3   PRO   1           HT2      PRO   1 -16.521   1.129   1.410
    3    HA   PRO   1           HA       PRO   1 -17.132   3.965   0.964
    4    HB2  PRO   1           HB2      PRO   1 -15.231   3.574   3.094
    5    HB3  PRO   1           HB1      PRO   1 -16.726   4.517   3.117
    6    HG2  PRO   1           HG2      PRO   1 -16.394   2.196   4.499
    7    HG3  PRO   1           HG1      PRO   1 -17.966   2.781   3.930
    8    HD2  PRO   1           HD2      PRO   1 -16.176   0.687   2.832
    9    HD3  PRO   1           HD1      PRO   1 -17.930   0.664   2.917
   10    H    MET   2           HN       MET   2 -14.849   5.044   1.075
   11    HA   MET   2           HA       MET   2 -13.254   4.008  -0.944
   12    HB2  MET   2           HB2      MET   2 -12.576   5.972   1.250
   13    HB3  MET   2           HB1      MET   2 -11.480   5.573  -0.063
   14    HG2  MET   2           HG2      MET   2 -14.200   6.812  -0.366
   15    HG3  MET   2           HG1      MET   2 -12.655   7.655  -0.469
   16    HE1  MET   2           HE1      MET   2 -14.785   7.939  -2.686
   17    HE2  MET   2           HE2      MET   2 -13.849   7.713  -4.161
   18    HE3  MET   2           HE3      MET   2 -13.182   8.660  -2.831
   19    H    LYS   3           HN       LYS   3 -11.769   2.513  -1.003
   20    HA   LYS   3           HA       LYS   3 -10.593   1.569   1.505
   21    HB2  LYS   3           HB2      LYS   3 -10.676  -0.699   0.474
   22    HB3  LYS   3           HB1      LYS   3 -12.260  -0.015   0.820
   23    HG2  LYS   3           HG2      LYS   3 -12.400   0.694  -1.564
   24    HG3  LYS   3           HG1      LYS   3 -10.904  -0.193  -1.861
   25    HD2  LYS   3           HD2      LYS   3 -11.948  -2.221  -1.118
   26    HD3  LYS   3           HD1      LYS   3 -13.455  -1.365  -0.777
   27    HE2  LYS   3           HE2      LYS   3 -13.530  -0.695  -3.179
   28    HE3  LYS   3           HE1      LYS   3 -12.136  -1.732  -3.460
   29    HZ1  LYS   3           HZ1      LYS   3 -14.755  -2.666  -2.418
   30    HZ2  LYS   3           HZ2      LYS   3 -13.429  -3.628  -2.783
   31    HZ3  LYS   3           HZ3      LYS   3 -14.236  -2.819  -4.009
   32    H    LYS   4           HN       LYS   4  -9.927   3.315  -0.990
   33    HA   LYS   4           HA       LYS   4  -7.894   1.930  -2.372
   34    HB2  LYS   4           HB2      LYS   4  -7.272   4.138  -3.323
   35    HB3  LYS   4           HB1      LYS   4  -8.964   3.723  -3.508
   36    HG2  LYS   4           HG2      LYS   4  -9.534   5.210  -1.654
   37    HG3  LYS   4           HG1      LYS   4  -7.825   5.620  -1.465
   38    HD2  LYS   4           HD2      LYS   4  -7.766   6.537  -3.700
   39    HD3  LYS   4           HD1      LYS   4  -9.438   6.045  -3.969
   40    HE2  LYS   4           HE2      LYS   4 -10.154   7.554  -2.170
   41    HE3  LYS   4           HE1      LYS   4  -8.479   8.047  -1.926
   42    HZ1  LYS   4           HZ1      LYS   4  -9.658   9.632  -3.273
   43    HZ2  LYS   4           HZ2      LYS   4 -10.081   8.451  -4.392
   44    HZ3  LYS   4           HZ3      LYS   4  -8.456   8.891  -4.205
   45    H    LEU   5           HN       LEU   5  -7.800   3.822   0.592
   46    HA   LEU   5           HA       LEU   5  -5.046   4.144   0.738
   47    HB2  LEU   5           HB2      LEU   5  -6.872   5.316   1.957
   48    HB3  LEU   5           HB1      LEU   5  -7.195   3.844   2.828
   49    HG   LEU   5           HG       LEU   5  -6.095   5.613   3.999
   50   HD11  LEU   5          HD11      LEU   5  -4.360   4.174   5.161
   51   HD12  LEU   5          HD12      LEU   5  -4.556   3.004   3.853
   52   HD13  LEU   5          HD13      LEU   5  -5.912   3.373   4.914
   53   HD21  LEU   5          HD21      LEU   5  -4.613   6.518   2.366
   54   HD22  LEU   5          HD22      LEU   5  -3.719   5.000   2.260
   55   HD23  LEU   5          HD23      LEU   5  -3.640   5.967   3.730
   56    H    LYS   6           HN       LYS   6  -7.339   1.659   1.693
   57    HA   LYS   6           HA       LYS   6  -5.545  -0.043   3.085
   58    HB2  LYS   6           HB2      LYS   6  -8.140  -0.676   1.672
   59    HB3  LYS   6           HB1      LYS   6  -7.306  -1.762   2.767
   60    HG2  LYS   6           HG2      LYS   6  -8.393   0.943   3.537
   61    HG3  LYS   6           HG1      LYS   6  -9.253  -0.576   3.763
   62    HD2  LYS   6           HD2      LYS   6  -6.582   0.127   5.003
   63    HD3  LYS   6           HD1      LYS   6  -8.136   0.200   5.826
   64    HE2  LYS   6           HE2      LYS   6  -6.860  -2.298   4.684
   65    HE3  LYS   6           HE1      LYS   6  -6.907  -1.850   6.380
   66    HZ1  LYS   6           HZ1      LYS   6  -8.590  -3.466   5.833
   67    HZ2  LYS   6           HZ2      LYS   6  -9.280  -2.451   4.686
   68    HZ3  LYS   6           HZ3      LYS   6  -9.321  -2.031   6.322
   69    H    LEU   7           HN       LEU   7  -6.726   0.142  -0.198
   70    HA   LEU   7           HA       LEU   7  -5.427  -2.133  -1.232
   71    HB2  LEU   7           HB2      LEU   7  -6.253   0.392  -2.661
   72    HB3  LEU   7           HB1      LEU   7  -5.848  -1.123  -3.436
   73    HG   LEU   7           HG       LEU   7  -8.213  -0.655  -1.617
   74   HD11  LEU   7          HD11      LEU   7  -8.463   0.437  -3.769
   75   HD12  LEU   7          HD12      LEU   7  -9.544  -0.946  -3.621
   76   HD13  LEU   7          HD13      LEU   7  -8.074  -1.076  -4.585
   77   HD21  LEU   7          HD21      LEU   7  -7.402  -3.101  -3.183
   78   HD22  LEU   7          HD22      LEU   7  -8.925  -2.892  -2.319
   79   HD23  LEU   7          HD23      LEU   7  -7.406  -2.937  -1.425
   80    H    ALA   8           HN       ALA   8  -4.462   1.250  -0.985
   81    HA   ALA   8           HA       ALA   8  -2.048   1.111  -2.385
   82    HB1  ALA   8           HB1      ALA   8  -2.751   2.881  -0.045
   83    HB2  ALA   8           HB2      ALA   8  -3.094   3.224  -1.741
   84    HB3  ALA   8           HB3      ALA   8  -1.425   3.145  -1.177
   85    H    LEU   9           HN       LEU   9  -2.778   0.564   1.030
   86    HA   LEU   9           HA       LEU   9  -0.112   0.015   1.753
   87    HB2  LEU   9           HB2      LEU   9  -2.739  -0.386   3.068
   88    HB3  LEU   9           HB1      LEU   9  -1.406  -1.347   3.668
   89    HG   LEU   9           HG       LEU   9  -1.733   0.646   5.020
   90   HD11  LEU   9          HD11      LEU   9   0.505  -0.255   4.805
   91   HD12  LEU   9          HD12      LEU   9   0.531   1.490   5.016
   92   HD13  LEU   9          HD13      LEU   9   0.816   0.797   3.422
   93   HD21  LEU   9          HD21      LEU   9  -1.106   2.218   2.518
   94   HD22  LEU   9          HD22      LEU   9  -1.312   2.888   4.139
   95   HD23  LEU   9          HD23      LEU   9  -2.675   2.132   3.314
   96    H    ARG  10           HN       ARG  10  -2.653  -2.023   0.535
   97    HA   ARG  10           HA       ARG  10  -1.386  -4.523   0.870
   98    HB2  ARG  10           HB2      ARG  10  -3.269  -3.573  -1.292
   99    HB3  ARG  10           HB1      ARG  10  -2.737  -5.238  -1.134
  100    HG2  ARG  10           HG2      ARG  10  -4.271  -3.701   0.954
  101    HG3  ARG  10           HG1      ARG  10  -4.975  -4.839  -0.196
  102    HD2  ARG  10           HD2      ARG  10  -2.906  -5.484   1.908
  103    HD3  ARG  10           HD1      ARG  10  -4.616  -5.901   1.960
  104    HE   ARG  10           HE       ARG  10  -3.370  -6.894  -0.388
  105   HH11  ARG  10          HH11      ARG  10  -3.812  -7.573   3.040
  106   HH12  ARG  10          HH12      ARG  10  -3.481  -9.236   2.908
  107   HH21  ARG  10          HH21      ARG  10  -2.910  -9.136  -0.602
  108   HH22  ARG  10          HH22      ARG  10  -2.940 -10.156   0.763
  109    H    LEU  11           HN       LEU  11  -1.198  -2.137  -1.676
  110    HA   LEU  11           HA       LEU  11   0.603  -3.557  -3.346
  111    HB2  LEU  11           HB2      LEU  11   0.118  -0.595  -3.087
  112    HB3  LEU  11           HB1      LEU  11   1.003  -1.358  -4.393
  113    HG   LEU  11           HG       LEU  11  -1.920  -1.794  -3.796
  114   HD11  LEU  11          HD11      LEU  11  -0.587  -0.151  -5.937
  115   HD12  LEU  11          HD12      LEU  11  -1.481   0.475  -4.553
  116   HD13  LEU  11          HD13      LEU  11  -2.317  -0.459  -5.793
  117   HD21  LEU  11          HD21      LEU  11  -0.882  -3.714  -4.875
  118   HD22  LEU  11          HD22      LEU  11  -0.198  -2.660  -6.114
  119   HD23  LEU  11          HD23      LEU  11  -1.945  -2.867  -5.997
  120    H    ALA  12           HN       ALA  12   0.973  -1.190  -0.790
  121    HA   ALA  12           HA       ALA  12   3.767  -0.805  -1.037
  122    HB1  ALA  12           HB1      ALA  12   2.253   0.798   0.063
  123    HB2  ALA  12           HB2      ALA  12   3.609   0.339   1.090
  124    HB3  ALA  12           HB3      ALA  12   2.016  -0.357   1.374
  125    H    ALA  13           HN       ALA  13   1.863  -3.218   0.474
  126    HA   ALA  13           HA       ALA  13   3.809  -4.169   2.302
  127    HB1  ALA  13           HB1      ALA  13   1.468  -5.610   1.068
  128    HB2  ALA  13           HB2      ALA  13   1.423  -4.653   2.547
  129    HB3  ALA  13           HB3      ALA  13   2.383  -6.133   2.481
  130    H    LYS  14           HN       LYS  14   2.874  -5.053  -0.975
  131    HA   LYS  14           HA       LYS  14   4.844  -7.173  -1.089
  132    HB2  LYS  14           HB2      LYS  14   3.105  -6.058  -3.278
  133    HB3  LYS  14           HB1      LYS  14   3.987  -7.580  -3.291
  134    HG2  LYS  14           HG2      LYS  14   2.585  -8.370  -1.412
  135    HG3  LYS  14           HG1      LYS  14   1.680  -6.863  -1.502
  136    HD2  LYS  14           HD2      LYS  14   0.486  -8.594  -2.657
  137    HD3  LYS  14           HD1      LYS  14   1.060  -7.395  -3.814
  138    HE2  LYS  14           HE2      LYS  14   2.912  -8.825  -4.454
  139    HE3  LYS  14           HE1      LYS  14   2.453 -10.008  -3.231
  140    HZ1  LYS  14           HZ1      LYS  14   0.808  -9.228  -5.570
  141    HZ2  LYS  14           HZ2      LYS  14   0.428 -10.425  -4.438
  142    HZ3  LYS  14           HZ3      LYS  14   1.753 -10.608  -5.455
  143    H    ILE  15           HN       ILE  15   4.367  -3.933  -2.325
  144    HA   ILE  15           HA       ILE  15   6.911  -4.016  -3.723
  145    HB   ILE  15           HB       ILE  15   4.770  -1.867  -3.600
  146   HG12  ILE  15          HG12      ILE  15   3.949  -3.815  -4.812
  147   HG13  ILE  15          HG11      ILE  15   4.242  -2.493  -5.931
  148   HG21  ILE  15          HG21      ILE  15   5.946  -0.772  -5.430
  149   HG22  ILE  15          HG22      ILE  15   7.201  -2.006  -5.370
  150   HG23  ILE  15          HG23      ILE  15   6.977  -0.911  -4.003
  151   HD11  ILE  15          HD11      ILE  15   4.958  -4.600  -6.882
  152   HD12  ILE  15          HD12      ILE  15   6.005  -4.900  -5.499
  153   HD13  ILE  15          HD13      ILE  15   6.359  -3.565  -6.598
  154    H    ALA  16           HN       ALA  16   8.491  -3.770  -2.300
  155    HA   ALA  16           HA       ALA  16   8.207  -2.226   0.075
  156    HB1  ALA  16           HB1      ALA  16  10.663  -3.437  -1.215
  157    HB2  ALA  16           HB2      ALA  16   9.655  -4.203   0.011
  158    HB3  ALA  16           HB3      ALA  16  10.593  -2.766   0.415
  159    HA   PRO  17           HA       PRO  17   9.280   1.732  -1.580
  160    HB2  PRO  17           HB2      PRO  17  10.967   2.259   0.784
  161    HB3  PRO  17           HB1      PRO  17   9.527   3.115   0.228
  162    HG2  PRO  17           HG2      PRO  17   9.481   1.538   2.395
  163    HG3  PRO  17           HG1      PRO  17   8.091   1.677   1.308
  164    HD2  PRO  17           HD2      PRO  17  10.117  -0.509   1.530
  165    HD3  PRO  17           HD1      PRO  17   8.369  -0.609   1.243
  166    H    VAL  18           HN       VAL  18  10.558   1.233  -3.237
  167    HA   VAL  18           HA       VAL  18  13.387   0.761  -2.862
  168    HB   VAL  18           HB       VAL  18  13.470   0.620  -5.355
  169   HG11  VAL  18          HG11      VAL  18  11.334  -1.077  -4.074
  170   HG12  VAL  18          HG12      VAL  18  13.068  -1.399  -4.065
  171   HG13  VAL  18          HG13      VAL  18  12.171  -1.446  -5.581
  172   HG21  VAL  18          HG21      VAL  18  10.487   1.068  -5.180
  173   HG22  VAL  18          HG22      VAL  18  11.373   0.604  -6.633
  174   HG23  VAL  18          HG23      VAL  18  11.665   2.176  -5.886
  175    H    TRP  19           HN       TRP  19  14.740   2.111  -4.603
  176    HA   TRP  19           HA       TRP  19  13.916   4.885  -4.342
  177    HB2  TRP  19           HB2      TRP  19  15.704   4.066  -2.643
  178    HB3  TRP  19           HB1      TRP  19  16.784   4.027  -4.033
  179    HD1  TRP  19           HD1      TRP  19  17.908   6.285  -4.680
  180    HE1  TRP  19           HE1      TRP  19  17.645   8.739  -3.867
  181    HE3  TRP  19           HE3      TRP  19  13.765   5.752  -1.745
  182    HZ2  TRP  19           HZ2      TRP  19  15.927  10.212  -2.211
  183    HZ3  TRP  19           HZ3      TRP  19  12.875   7.733  -0.580
  184    HH2  TRP  19           HH2      TRP  19  13.937   9.911  -0.814
  Start of MODEL    4
    1    H2   PRO   1           HT1      PRO   1 -17.983   0.607  -1.108
    2    H3   PRO   1           HT2      PRO   1 -18.914   1.818  -1.638
    3    HA   PRO   1           HA       PRO   1 -16.812   1.988  -2.649
    4    HB2  PRO   1           HB2      PRO   1 -15.861   3.935  -0.887
    5    HB3  PRO   1           HB1      PRO   1 -16.937   4.221  -2.258
    6    HG2  PRO   1           HG2      PRO   1 -17.595   3.886   0.626
    7    HG3  PRO   1           HG1      PRO   1 -18.396   4.883  -0.599
    8    HD2  PRO   1           HD2      PRO   1 -19.539   2.647   0.249
    9    HD3  PRO   1           HD1      PRO   1 -19.606   3.146  -1.437
   10    H    MET   2           HN       MET   2 -14.742   1.372  -2.630
   11    HA   MET   2           HA       MET   2 -13.850  -0.079  -0.278
   12    HB2  MET   2           HB2      MET   2 -12.164  -1.058  -1.734
   13    HB3  MET   2           HB1      MET   2 -13.754  -1.212  -2.461
   14    HG2  MET   2           HG2      MET   2 -13.184   0.791  -3.866
   15    HG3  MET   2           HG1      MET   2 -11.541   0.679  -3.236
   16    HE1  MET   2           HE1      MET   2 -14.078  -2.238  -4.225
   17    HE2  MET   2           HE2      MET   2 -13.628  -2.455  -5.915
   18    HE3  MET   2           HE3      MET   2 -14.331  -0.933  -5.378
   19    H    LYS   3           HN       LYS   3 -11.649   0.215   0.492
   20    HA   LYS   3           HA       LYS   3 -11.084   3.060   0.502
   21    HB2  LYS   3           HB2      LYS   3  -9.785   0.934   2.202
   22    HB3  LYS   3           HB1      LYS   3  -9.774   2.665   2.472
   23    HG2  LYS   3           HG2      LYS   3 -12.109   0.794   2.729
   24    HG3  LYS   3           HG1      LYS   3 -11.253   1.613   4.029
   25    HD2  LYS   3           HD2      LYS   3 -12.850   2.997   1.863
   26    HD3  LYS   3           HD1      LYS   3 -13.445   2.632   3.479
   27    HE2  LYS   3           HE2      LYS   3 -11.727   4.045   4.444
   28    HE3  LYS   3           HE1      LYS   3 -11.089   4.399   2.840
   29    HZ1  LYS   3           HZ1      LYS   3 -13.814   5.078   3.797
   30    HZ2  LYS   3           HZ2      LYS   3 -13.185   5.440   2.272
   31    HZ3  LYS   3           HZ3      LYS   3 -12.537   6.166   3.631
   32    H    LYS   4           HN       LYS   4  -9.750   3.708  -1.028
   33    HA   LYS   4           HA       LYS   4  -7.905   2.028  -2.340
   34    HB2  LYS   4           HB2      LYS   4  -7.032   4.051  -3.409
   35    HB3  LYS   4           HB1      LYS   4  -8.786   4.054  -3.424
   36    HG2  LYS   4           HG2      LYS   4  -8.793   5.611  -1.540
   37    HG3  LYS   4           HG1      LYS   4  -7.029   5.614  -1.541
   38    HD2  LYS   4           HD2      LYS   4  -7.054   6.500  -3.831
   39    HD3  LYS   4           HD1      LYS   4  -8.820   6.521  -3.794
   40    HE2  LYS   4           HE2      LYS   4  -8.691   8.038  -1.825
   41    HE3  LYS   4           HE1      LYS   4  -6.945   8.086  -2.034
   42    HZ1  LYS   4           HZ1      LYS   4  -8.016   9.975  -3.022
   43    HZ2  LYS   4           HZ2      LYS   4  -8.935   8.972  -4.035
   44    HZ3  LYS   4           HZ3      LYS   4  -7.254   9.044  -4.213
   45    H    LEU   5           HN       LEU   5  -7.742   3.927   0.547
   46    HA   LEU   5           HA       LEU   5  -4.930   3.938   0.747
   47    HB2  LEU   5           HB2      LEU   5  -5.252   4.494   3.153
   48    HB3  LEU   5           HB1      LEU   5  -6.116   5.544   2.064
   49    HG   LEU   5           HG       LEU   5  -8.187   4.107   2.638
   50   HD11  LEU   5          HD11      LEU   5  -8.187   3.060   4.832
   51   HD12  LEU   5          HD12      LEU   5  -6.454   3.343   4.972
   52   HD13  LEU   5          HD13      LEU   5  -7.072   2.255   3.728
   53   HD21  LEU   5          HD21      LEU   5  -7.888   6.411   3.349
   54   HD22  LEU   5          HD22      LEU   5  -6.936   5.867   4.733
   55   HD23  LEU   5          HD23      LEU   5  -8.644   5.448   4.617
   56    H    LYS   6           HN       LYS   6  -7.302   1.542   1.486
   57    HA   LYS   6           HA       LYS   6  -5.531  -0.109   3.031
   58    HB2  LYS   6           HB2      LYS   6  -7.968  -0.288   3.355
   59    HB3  LYS   6           HB1      LYS   6  -8.173  -0.759   1.675
   60    HG2  LYS   6           HG2      LYS   6  -6.877  -2.818   2.109
   61    HG3  LYS   6           HG1      LYS   6  -6.731  -2.353   3.801
   62    HD2  LYS   6           HD2      LYS   6  -9.361  -2.810   2.378
   63    HD3  LYS   6           HD1      LYS   6  -8.535  -4.028   3.341
   64    HE2  LYS   6           HE2      LYS   6  -9.512  -1.354   4.368
   65    HE3  LYS   6           HE1      LYS   6 -10.342  -2.890   4.580
   66    HZ1  LYS   6           HZ1      LYS   6  -8.435  -3.699   5.863
   67    HZ2  LYS   6           HZ2      LYS   6  -9.062  -2.287   6.531
   68    HZ3  LYS   6           HZ3      LYS   6  -7.648  -2.222   5.651
   69    H    LEU   7           HN       LEU   7  -6.715   0.076  -0.257
   70    HA   LEU   7           HA       LEU   7  -5.410  -2.205  -1.255
   71    HB2  LEU   7           HB2      LEU   7  -6.218   0.318  -2.697
   72    HB3  LEU   7           HB1      LEU   7  -5.757  -1.186  -3.468
   73    HG   LEU   7           HG       LEU   7  -8.181  -0.801  -1.708
   74   HD11  LEU   7          HD11      LEU   7  -7.953  -1.157  -4.686
   75   HD12  LEU   7          HD12      LEU   7  -8.383   0.337  -3.854
   76   HD13  LEU   7          HD13      LEU   7  -9.453  -1.063  -3.766
   77   HD21  LEU   7          HD21      LEU   7  -8.800  -3.052  -2.462
   78   HD22  LEU   7          HD22      LEU   7  -7.296  -3.070  -1.554
   79   HD23  LEU   7          HD23      LEU   7  -7.265  -3.190  -3.316
   80    H    ALA   8           HN       ALA   8  -4.439   1.216  -1.252
   81    HA   ALA   8           HA       ALA   8  -1.951   0.875  -2.479
   82    HB1  ALA   8           HB1      ALA   8  -2.720   2.925  -0.393
   83    HB2  ALA   8           HB2      ALA   8  -3.022   3.063  -2.125
   84    HB3  ALA   8           HB3      ALA   8  -1.366   3.039  -1.520
   85    H    LEU   9           HN       LEU   9  -2.971   0.497   0.835
   86    HA   LEU   9           HA       LEU   9  -0.403   0.200   1.999
   87    HB2  LEU   9           HB2      LEU   9  -2.437   0.744   3.291
   88    HB3  LEU   9           HB1      LEU   9  -3.084  -0.835   2.922
   89    HG   LEU   9           HG       LEU   9  -1.259  -1.867   4.229
   90   HD11  LEU   9          HD11      LEU   9   0.427  -0.134   4.001
   91   HD12  LEU   9          HD12      LEU   9   0.101  -0.475   5.700
   92   HD13  LEU   9          HD13      LEU   9  -0.569   0.972   4.950
   93   HD21  LEU   9          HD21      LEU   9  -2.896   0.190   5.700
   94   HD22  LEU   9          HD22      LEU   9  -2.117  -1.218   6.425
   95   HD23  LEU   9          HD23      LEU   9  -3.418  -1.434   5.255
   96    H    ARG  10           HN       ARG  10  -2.549  -1.954   0.301
   97    HA   ARG  10           HA       ARG  10  -1.055  -4.306   1.084
   98    HB2  ARG  10           HB2      ARG  10  -3.227  -4.056  -1.005
   99    HB3  ARG  10           HB1      ARG  10  -2.537  -5.560  -0.424
  100    HG2  ARG  10           HG2      ARG  10  -4.201  -3.607   1.180
  101    HG3  ARG  10           HG1      ARG  10  -4.724  -5.171   0.573
  102    HD2  ARG  10           HD2      ARG  10  -4.249  -5.357   2.933
  103    HD3  ARG  10           HD1      ARG  10  -3.023  -6.255   2.048
  104    HE   ARG  10           HE       ARG  10  -1.924  -3.796   2.395
  105   HH11  ARG  10          HH11      ARG  10  -3.399  -5.897   4.798
  106   HH12  ARG  10          HH12      ARG  10  -2.179  -5.667   5.964
  107   HH21  ARG  10          HH21      ARG  10  -0.256  -3.444   3.985
  108   HH22  ARG  10          HH22      ARG  10  -0.371  -4.209   5.502
  109    H    LEU  11           HN       LEU  11  -1.344  -2.268  -1.754
  110    HA   LEU  11           HA       LEU  11   0.505  -3.619  -3.356
  111    HB2  LEU  11           HB2      LEU  11  -0.360  -0.765  -3.170
  112    HB3  LEU  11           HB1      LEU  11   1.074  -1.126  -4.099
  113    HG   LEU  11           HG       LEU  11  -0.235  -2.554  -5.599
  114   HD11  LEU  11          HD11      LEU  11  -2.621  -1.729  -3.966
  115   HD12  LEU  11          HD12      LEU  11  -1.934  -3.350  -4.064
  116   HD13  LEU  11          HD13      LEU  11  -2.659  -2.612  -5.492
  117   HD21  LEU  11          HD21      LEU  11  -1.428   0.179  -5.202
  118   HD22  LEU  11          HD22      LEU  11  -1.549  -0.800  -6.663
  119   HD23  LEU  11          HD23      LEU  11   0.022  -0.207  -6.127
  120    H    ALA  12           HN       ALA  12   1.011  -1.067  -0.966
  121    HA   ALA  12           HA       ALA  12   3.800  -0.932  -1.154
  122    HB1  ALA  12           HB1      ALA  12   3.723   0.243   0.976
  123    HB2  ALA  12           HB2      ALA  12   2.074  -0.323   1.245
  124    HB3  ALA  12           HB3      ALA  12   2.417   0.793  -0.077
  125    H    ALA  13           HN       ALA  13   1.725  -3.089   0.606
  126    HA   ALA  13           HA       ALA  13   3.765  -4.150   2.295
  127    HB1  ALA  13           HB1      ALA  13   1.392  -4.286   2.906
  128    HB2  ALA  13           HB2      ALA  13   2.138  -5.884   2.852
  129    HB3  ALA  13           HB3      ALA  13   1.106  -5.349   1.528
  130    H    LYS  14           HN       LYS  14   2.480  -4.959  -0.865
  131    HA   LYS  14           HA       LYS  14   3.914  -7.448  -1.022
  132    HB2  LYS  14           HB2      LYS  14   2.554  -5.879  -3.218
  133    HB3  LYS  14           HB1      LYS  14   3.121  -7.537  -3.336
  134    HG2  LYS  14           HG2      LYS  14   0.909  -6.538  -1.546
  135    HG3  LYS  14           HG1      LYS  14   0.705  -7.437  -3.046
  136    HD2  LYS  14           HD2      LYS  14   1.868  -9.346  -2.054
  137    HD3  LYS  14           HD1      LYS  14   2.087  -8.438  -0.559
  138    HE2  LYS  14           HE2      LYS  14  -0.320  -8.285  -0.259
  139    HE3  LYS  14           HE1      LYS  14  -0.580  -9.137  -1.778
  140    HZ1  LYS  14           HZ1      LYS  14   0.451 -11.090  -0.840
  141    HZ2  LYS  14           HZ2      LYS  14  -0.804 -10.603   0.146
  142    HZ3  LYS  14           HZ3      LYS  14   0.797 -10.283   0.594
  143    H    ILE  15           HN       ILE  15   4.412  -4.131  -2.144
  144    HA   ILE  15           HA       ILE  15   7.188  -4.700  -2.579
  145    HB   ILE  15           HB       ILE  15   6.202  -5.349  -4.761
  146   HG12  ILE  15          HG12      ILE  15   7.693  -2.718  -4.936
  147   HG13  ILE  15          HG11      ILE  15   8.427  -4.299  -4.708
  148   HG21  ILE  15          HG21      ILE  15   4.178  -4.021  -4.721
  149   HG22  ILE  15          HG22      ILE  15   5.088  -3.694  -6.198
  150   HG23  ILE  15          HG23      ILE  15   5.120  -2.537  -4.869
  151   HD11  ILE  15          HD11      ILE  15   6.867  -3.417  -7.118
  152   HD12  ILE  15          HD12      ILE  15   7.639  -4.990  -6.901
  153   HD13  ILE  15          HD13      ILE  15   8.622  -3.529  -7.003
  154    H    ALA  16           HN       ALA  16   8.424  -2.801  -2.479
  155    HA   ALA  16           HA       ALA  16   7.246  -0.617  -1.144
  156    HB1  ALA  16           HB1      ALA  16   9.934  -0.773  -2.509
  157    HB2  ALA  16           HB2      ALA  16   9.608  -1.219  -0.837
  158    HB3  ALA  16           HB3      ALA  16   9.441   0.460  -1.352
  159    HA   PRO  17           HA       PRO  17   5.694   1.289  -4.852
  160    HB2  PRO  17           HB2      PRO  17   4.245   3.208  -3.702
  161    HB3  PRO  17           HB1      PRO  17   3.794   1.505  -3.554
  162    HG2  PRO  17           HG2      PRO  17   5.178   3.274  -1.580
  163    HG3  PRO  17           HG1      PRO  17   3.919   2.059  -1.306
  164    HD2  PRO  17           HD2      PRO  17   6.628   1.649  -0.907
  165    HD3  PRO  17           HD1      PRO  17   5.433   0.364  -1.172
  166    H    VAL  18           HN       VAL  18   8.258   2.322  -3.293
  167    HA   VAL  18           HA       VAL  18   8.234   5.094  -4.161
  168    HB   VAL  18           HB       VAL  18  10.557   3.508  -3.001
  169   HG11  VAL  18          HG11      VAL  18  11.287   5.475  -4.227
  170   HG12  VAL  18          HG12      VAL  18  11.535   5.704  -2.496
  171   HG13  VAL  18          HG13      VAL  18  10.175   6.485  -3.303
  172   HG21  VAL  18          HG21      VAL  18   8.713   3.594  -1.405
  173   HG22  VAL  18          HG22      VAL  18   8.612   5.343  -1.593
  174   HG23  VAL  18          HG23      VAL  18  10.044   4.617  -0.863
  175    H    TRP  19           HN       TRP  19  10.509   2.399  -4.696
  176    HA   TRP  19           HA       TRP  19  10.231   2.369  -7.475
  177    HB2  TRP  19           HB2      TRP  19  11.539   4.531  -7.171
  178    HB3  TRP  19           HB1      TRP  19  12.854   3.550  -6.526
  179    HD1  TRP  19           HD1      TRP  19  14.431   2.419  -8.258
  180    HE1  TRP  19           HE1      TRP  19  14.491   2.313 -10.838
  181    HE3  TRP  19           HE3      TRP  19   9.859   4.428  -9.255
  182    HZ2  TRP  19           HZ2      TRP  19  12.811   2.984 -12.987
  183    HZ3  TRP  19           HZ3      TRP  19   9.155   4.655 -11.597
  184    HH2  TRP  19           HH2      TRP  19  10.610   3.942 -13.418
  Start of MODEL    5
    1    H2   PRO   1           HT1      PRO   1 -17.584   2.296  -4.781
    2    H3   PRO   1           HT2      PRO   1 -16.504   1.224  -5.382
    3    HA   PRO   1           HA       PRO   1 -14.711   2.755  -5.340
    4    HB2  PRO   1           HB2      PRO   1 -15.616   4.270  -3.158
    5    HB3  PRO   1           HB1      PRO   1 -15.216   4.876  -4.765
    6    HG2  PRO   1           HG2      PRO   1 -17.874   4.183  -3.623
    7    HG3  PRO   1           HG1      PRO   1 -17.460   5.401  -4.839
    8    HD2  PRO   1           HD2      PRO   1 -18.689   3.157  -5.559
    9    HD3  PRO   1           HD1      PRO   1 -17.434   3.897  -6.554
   10    H    MET   2           HN       MET   2 -13.680   3.024  -2.967
   11    HA   MET   2           HA       MET   2 -14.589   1.482  -0.860
   12    HB2  MET   2           HB2      MET   2 -12.992  -0.395  -0.968
   13    HB3  MET   2           HB1      MET   2 -14.033  -0.442  -2.380
   14    HG2  MET   2           HG2      MET   2 -12.258   0.511  -3.743
   15    HG3  MET   2           HG1      MET   2 -11.224   0.648  -2.324
   16    HE1  MET   2           HE1      MET   2 -13.017  -1.801  -4.817
   17    HE2  MET   2           HE2      MET   2 -13.646  -2.367  -3.266
   18    HE3  MET   2           HE3      MET   2 -12.540  -3.378  -4.193
   19    H    LYS   3           HN       LYS   3 -12.522   1.267   0.669
   20    HA   LYS   3           HA       LYS   3 -11.198   3.769   0.540
   21    HB2  LYS   3           HB2      LYS   3 -10.743   1.380   2.314
   22    HB3  LYS   3           HB1      LYS   3 -10.015   2.968   2.531
   23    HG2  LYS   3           HG2      LYS   3 -12.226   3.946   2.833
   24    HG3  LYS   3           HG1      LYS   3 -12.950   2.350   2.637
   25    HD2  LYS   3           HD2      LYS   3 -10.948   3.072   4.738
   26    HD3  LYS   3           HD1      LYS   3 -12.700   3.095   4.992
   27    HE2  LYS   3           HE2      LYS   3 -12.758   0.695   4.418
   28    HE3  LYS   3           HE1      LYS   3 -11.002   0.704   4.264
   29    HZ1  LYS   3           HZ1      LYS   3 -11.689  -0.118   6.421
   30    HZ2  LYS   3           HZ2      LYS   3 -12.550   1.277   6.721
   31    HZ3  LYS   3           HZ3      LYS   3 -10.865   1.348   6.602
   32    H    LYS   4           HN       LYS   4  -9.805   4.038  -1.001
   33    HA   LYS   4           HA       LYS   4  -8.300   1.965  -2.188
   34    HB2  LYS   4           HB2      LYS   4  -8.009   4.950  -2.420
   35    HB3  LYS   4           HB1      LYS   4  -7.227   3.778  -3.472
   36    HG2  LYS   4           HG2      LYS   4  -9.418   2.986  -4.229
   37    HG3  LYS   4           HG1      LYS   4 -10.204   4.164  -3.182
   38    HD2  LYS   4           HD2      LYS   4  -8.337   4.806  -5.462
   39    HD3  LYS   4           HD1      LYS   4 -10.093   4.924  -5.521
   40    HE2  LYS   4           HE2      LYS   4 -10.015   6.625  -3.736
   41    HE3  LYS   4           HE1      LYS   4  -8.255   6.510  -3.719
   42    HZ1  LYS   4           HZ1      LYS   4  -8.243   7.222  -6.024
   43    HZ2  LYS   4           HZ2      LYS   4  -8.959   8.373  -5.034
   44    HZ3  LYS   4           HZ3      LYS   4  -9.916   7.404  -6.009
   45    H    LEU   5           HN       LEU   5  -7.789   3.895   0.534
   46    HA   LEU   5           HA       LEU   5  -4.961   3.891   0.616
   47    HB2  LEU   5           HB2      LEU   5  -6.981   4.077   2.867
   48    HB3  LEU   5           HB1      LEU   5  -5.260   4.242   3.112
   49    HG   LEU   5           HG       LEU   5  -5.315   6.266   1.607
   50   HD11  LEU   5          HD11      LEU   5  -7.445   7.389   1.214
   51   HD12  LEU   5          HD12      LEU   5  -8.299   5.980   1.850
   52   HD13  LEU   5          HD13      LEU   5  -7.350   5.841   0.373
   53   HD21  LEU   5          HD21      LEU   5  -7.006   6.346   4.096
   54   HD22  LEU   5          HD22      LEU   5  -6.314   7.751   3.290
   55   HD23  LEU   5          HD23      LEU   5  -5.253   6.534   3.998
   56    H    LYS   6           HN       LYS   6  -7.390   1.606   1.589
   57    HA   LYS   6           HA       LYS   6  -5.801  -0.278   2.945
   58    HB2  LYS   6           HB2      LYS   6  -8.218  -0.347   3.064
   59    HB3  LYS   6           HB1      LYS   6  -8.343  -0.535   1.328
   60    HG2  LYS   6           HG2      LYS   6  -7.394  -2.774   1.498
   61    HG3  LYS   6           HG1      LYS   6  -7.217  -2.569   3.244
   62    HD2  LYS   6           HD2      LYS   6  -9.618  -2.324   3.490
   63    HD3  LYS   6           HD1      LYS   6  -9.830  -2.419   1.746
   64    HE2  LYS   6           HE2      LYS   6  -8.653  -4.618   3.434
   65    HE3  LYS   6           HE1      LYS   6 -10.347  -4.530   2.974
   66    HZ1  LYS   6           HZ1      LYS   6  -9.685  -4.638   0.649
   67    HZ2  LYS   6           HZ2      LYS   6  -9.105  -5.966   1.478
   68    HZ3  LYS   6           HZ3      LYS   6  -8.058  -4.705   1.078
   69    H    LEU   7           HN       LEU   7  -6.584   0.231  -0.410
   70    HA   LEU   7           HA       LEU   7  -5.322  -2.087  -1.480
   71    HB2  LEU   7           HB2      LEU   7  -5.943   0.545  -2.814
   72    HB3  LEU   7           HB1      LEU   7  -5.552  -0.952  -3.633
   73    HG   LEU   7           HG       LEU   7  -8.023  -0.469  -1.968
   74   HD11  LEU   7          HD11      LEU   7  -7.655  -0.652  -4.945
   75   HD12  LEU   7          HD12      LEU   7  -8.018   0.820  -4.044
   76   HD13  LEU   7          HD13      LEU   7  -9.197  -0.492  -4.108
   77   HD21  LEU   7          HD21      LEU   7  -7.196  -2.803  -3.689
   78   HD22  LEU   7          HD22      LEU   7  -8.778  -2.594  -2.942
   79   HD23  LEU   7          HD23      LEU   7  -7.347  -2.800  -1.931
   80    H    ALA   8           HN       ALA   8  -4.400   1.278  -1.040
   81    HA   ALA   8           HA       ALA   8  -1.906   1.200  -2.305
   82    HB1  ALA   8           HB1      ALA   8  -1.410   3.249  -1.077
   83    HB2  ALA   8           HB2      ALA   8  -2.762   2.938   0.010
   84    HB3  ALA   8           HB3      ALA   8  -3.063   3.286  -1.691
   85    H    LEU   9           HN       LEU   9  -2.812   0.685   1.067
   86    HA   LEU   9           HA       LEU   9  -0.239   0.264   2.076
   87    HB2  LEU   9           HB2      LEU   9  -2.423   0.682   3.342
   88    HB3  LEU   9           HB1      LEU   9  -2.787  -1.005   3.095
   89    HG   LEU   9           HG       LEU   9  -0.398  -0.002   4.670
   90   HD11  LEU   9          HD11      LEU   9  -3.079  -0.957   5.639
   91   HD12  LEU   9          HD12      LEU   9  -2.458   0.692   5.724
   92   HD13  LEU   9          HD13      LEU   9  -1.684  -0.590   6.652
   93   HD21  LEU   9          HD21      LEU   9  -0.116  -2.293   3.840
   94   HD22  LEU   9          HD22      LEU   9  -1.678  -2.737   4.518
   95   HD23  LEU   9          HD23      LEU   9  -0.350  -2.282   5.590
   96    H    ARG  10           HN       ARG  10  -2.680  -2.081   0.844
   97    HA   ARG  10           HA       ARG  10  -1.215  -4.346   1.280
   98    HB2  ARG  10           HB2      ARG  10  -3.633  -4.223   0.796
   99    HB3  ARG  10           HB1      ARG  10  -3.264  -3.785  -0.864
  100    HG2  ARG  10           HG2      ARG  10  -3.863  -6.143  -0.616
  101    HG3  ARG  10           HG1      ARG  10  -2.220  -5.923  -1.228
  102    HD2  ARG  10           HD2      ARG  10  -2.330  -7.647   0.452
  103    HD3  ARG  10           HD1      ARG  10  -1.304  -6.328   0.980
  104    HE   ARG  10           HE       ARG  10  -4.084  -6.362   1.864
  105   HH11  ARG  10          HH11      ARG  10  -0.687  -6.954   2.687
  106   HH12  ARG  10          HH12      ARG  10  -0.934  -6.938   4.368
  107   HH21  ARG  10          HH21      ARG  10  -4.430  -6.409   4.200
  108   HH22  ARG  10          HH22      ARG  10  -3.113  -6.669   5.241
  109    H    LEU  11           HN       LEU  11  -1.280  -2.137  -1.467
  110    HA   LEU  11           HA       LEU  11   0.297  -3.642  -3.230
  111    HB2  LEU  11           HB2      LEU  11  -1.032  -1.676  -3.898
  112    HB3  LEU  11           HB1      LEU  11   0.051  -0.641  -2.993
  113    HG   LEU  11           HG       LEU  11   1.894  -1.284  -4.525
  114   HD11  LEU  11          HD11      LEU  11  -0.288  -2.701  -6.039
  115   HD12  LEU  11          HD12      LEU  11   1.101  -3.450  -5.248
  116   HD13  LEU  11          HD13      LEU  11   1.338  -2.394  -6.637
  117   HD21  LEU  11          HD21      LEU  11   0.627   0.764  -4.907
  118   HD22  LEU  11          HD22      LEU  11  -0.554  -0.133  -5.861
  119   HD23  LEU  11          HD23      LEU  11   1.104   0.029  -6.437
  120    H    ALA  12           HN       ALA  12   1.167  -1.129  -0.890
  121    HA   ALA  12           HA       ALA  12   3.954  -1.268  -1.411
  122    HB1  ALA  12           HB1      ALA  12   4.194   0.146   0.567
  123    HB2  ALA  12           HB2      ALA  12   2.492  -0.128   0.965
  124    HB3  ALA  12           HB3      ALA  12   2.927   0.735  -0.505
  125    H    ALA  13           HN       ALA  13   1.880  -3.196   0.417
  126    HA   ALA  13           HA       ALA  13   3.870  -4.235   2.199
  127    HB1  ALA  13           HB1      ALA  13   2.166  -5.844   2.866
  128    HB2  ALA  13           HB2      ALA  13   1.145  -5.336   1.521
  129    HB3  ALA  13           HB3      ALA  13   1.502  -4.211   2.832
  130    H    LYS  14           HN       LYS  14   2.675  -5.034  -0.978
  131    HA   LYS  14           HA       LYS  14   4.138  -7.556  -0.875
  132    HB2  LYS  14           HB2      LYS  14   3.173  -8.055  -3.083
  133    HB3  LYS  14           HB1      LYS  14   1.940  -7.724  -1.881
  134    HG2  LYS  14           HG2      LYS  14   1.649  -5.473  -2.787
  135    HG3  LYS  14           HG1      LYS  14   2.910  -5.792  -3.976
  136    HD2  LYS  14           HD2      LYS  14   0.311  -7.302  -3.739
  137    HD3  LYS  14           HD1      LYS  14   0.639  -6.024  -4.909
  138    HE2  LYS  14           HE2      LYS  14   2.477  -7.389  -5.838
  139    HE3  LYS  14           HE1      LYS  14   2.082  -8.667  -4.694
  140    HZ1  LYS  14           HZ1      LYS  14   0.301  -7.625  -6.813
  141    HZ2  LYS  14           HZ2      LYS  14  -0.120  -8.786  -5.671
  142    HZ3  LYS  14           HZ3      LYS  14   1.081  -9.128  -6.804
  143    H    ILE  15           HN       ILE  15   4.255  -4.438  -2.490
  144    HA   ILE  15           HA       ILE  15   7.011  -5.026  -3.168
  145    HB   ILE  15           HB       ILE  15   6.778  -3.689  -5.273
  146   HG12  ILE  15          HG12      ILE  15   3.790  -3.996  -4.840
  147   HG13  ILE  15          HG11      ILE  15   4.690  -2.494  -4.687
  148   HG21  ILE  15          HG21      ILE  15   6.866  -6.087  -5.429
  149   HG22  ILE  15          HG22      ILE  15   5.756  -5.453  -6.644
  150   HG23  ILE  15          HG23      ILE  15   5.125  -6.200  -5.177
  151   HD11  ILE  15          HD11      ILE  15   3.517  -2.603  -6.806
  152   HD12  ILE  15          HD12      ILE  15   4.348  -4.108  -7.203
  153   HD13  ILE  15          HD13      ILE  15   5.263  -2.607  -7.063
  154    H    ALA  16           HN       ALA  16   8.337  -3.282  -2.914
  155    HA   ALA  16           HA       ALA  16   7.384  -1.422  -0.948
  156    HB1  ALA  16           HB1      ALA  16  10.063  -1.642  -2.312
  157    HB2  ALA  16           HB2      ALA  16   9.607  -2.391  -0.779
  158    HB3  ALA  16           HB3      ALA  16   9.706  -0.634  -0.907
  159    HA   PRO  17           HA       PRO  17   6.506   2.032  -3.579
  160    HB2  PRO  17           HB2      PRO  17   7.756   4.056  -2.106
  161    HB3  PRO  17           HB1      PRO  17   6.097   3.503  -1.870
  162    HG2  PRO  17           HG2      PRO  17   8.563   2.795  -0.358
  163    HG3  PRO  17           HG1      PRO  17   6.903   2.995   0.228
  164    HD2  PRO  17           HD2      PRO  17   8.012   0.569  -0.114
  165    HD3  PRO  17           HD1      PRO  17   6.286   0.864  -0.409
  166    H    VAL  18           HN       VAL  18   7.708   1.701  -5.329
  167    HA   VAL  18           HA       VAL  18  10.544   1.712  -5.303
  168    HB   VAL  18           HB       VAL  18  10.410   1.406  -7.747
  169   HG11  VAL  18          HG11      VAL  18   9.241  -0.768  -7.714
  170   HG12  VAL  18          HG12      VAL  18   8.535  -0.343  -6.155
  171   HG13  VAL  18          HG13      VAL  18  10.280  -0.543  -6.307
  172   HG21  VAL  18          HG21      VAL  18   8.452   2.783  -8.217
  173   HG22  VAL  18          HG22      VAL  18   7.426   1.652  -7.345
  174   HG23  VAL  18          HG23      VAL  18   8.223   1.150  -8.840
  175    H    TRP  19           HN       TRP  19  11.908   3.084  -6.456
  176    HA   TRP  19           HA       TRP  19  10.870   5.751  -6.971
  177    HB2  TRP  19           HB2      TRP  19  11.774   5.616  -4.642
  178    HB3  TRP  19           HB1      TRP  19  13.311   5.088  -5.300
  179    HD1  TRP  19           HD1      TRP  19  14.708   6.996  -6.712
  180    HE1  TRP  19           HE1      TRP  19  14.738   9.559  -6.424
  181    HE3  TRP  19           HE3      TRP  19  10.401   7.558  -4.043
  182    HZ2  TRP  19           HZ2      TRP  19  13.146  11.546  -5.215
  183    HZ3  TRP  19           HZ3      TRP  19   9.723   9.821  -3.357
  184    HH2  TRP  19           HH2      TRP  19  11.069  11.770  -3.933
  Start of MODEL    6
    1    H2   PRO   1           HT1      PRO   1 -16.453   0.249  -4.373
    2    H3   PRO   1           HT2      PRO   1 -14.756   0.018  -4.008
    3    HA   PRO   1           HA       PRO   1 -16.984   0.266  -2.106
    4    HB2  PRO   1           HB2      PRO   1 -15.585  -2.322  -2.331
    5    HB3  PRO   1           HB1      PRO   1 -17.310  -1.985  -2.122
    6    HG2  PRO   1           HG2      PRO   1 -16.343  -2.769  -4.501
    7    HG3  PRO   1           HG1      PRO   1 -17.659  -1.589  -4.376
    8    HD2  PRO   1           HD2      PRO   1 -14.777  -1.202  -4.951
    9    HD3  PRO   1           HD1      PRO   1 -16.119  -0.385  -5.702
   10    H    MET   2           HN       MET   2 -13.816  -1.472  -2.174
   11    HA   MET   2           HA       MET   2 -13.279  -0.475   0.454
   12    HB2  MET   2           HB2      MET   2 -11.619  -2.158  -1.428
   13    HB3  MET   2           HB1      MET   2 -11.145  -1.745   0.212
   14    HG2  MET   2           HG2      MET   2 -13.107  -2.921   1.072
   15    HG3  MET   2           HG1      MET   2 -13.567  -3.341  -0.575
   16    HE1  MET   2           HE1      MET   2 -10.661  -5.766  -1.622
   17    HE2  MET   2           HE2      MET   2 -10.754  -4.032  -1.918
   18    HE3  MET   2           HE3      MET   2 -12.189  -5.038  -2.111
   19    H    LYS   3           HN       LYS   3 -11.996   1.114   0.985
   20    HA   LYS   3           HA       LYS   3 -11.414   3.127  -0.849
   21    HB2  LYS   3           HB2      LYS   3 -10.203   4.212   1.003
   22    HB3  LYS   3           HB1      LYS   3 -11.780   3.609   1.493
   23    HG2  LYS   3           HG2      LYS   3 -10.667   1.628   2.482
   24    HG3  LYS   3           HG1      LYS   3  -9.113   2.332   2.056
   25    HD2  LYS   3           HD2      LYS   3  -9.611   2.763   4.386
   26    HD3  LYS   3           HD1      LYS   3  -9.626   4.273   3.479
   27    HE2  LYS   3           HE2      LYS   3 -12.028   4.281   3.423
   28    HE3  LYS   3           HE1      LYS   3 -12.099   2.682   4.157
   29    HZ1  LYS   3           HZ1      LYS   3 -11.021   5.123   5.462
   30    HZ2  LYS   3           HZ2      LYS   3 -11.159   3.600   6.162
   31    HZ3  LYS   3           HZ3      LYS   3 -12.544   4.453   5.743
   32    H    LYS   4           HN       LYS   4  -9.601   3.810  -1.800
   33    HA   LYS   4           HA       LYS   4  -7.766   1.861  -2.665
   34    HB2  LYS   4           HB2      LYS   4  -7.583   4.861  -2.897
   35    HB3  LYS   4           HB1      LYS   4  -6.635   3.708  -3.821
   36    HG2  LYS   4           HG2      LYS   4  -8.704   2.823  -4.805
   37    HG3  LYS   4           HG1      LYS   4  -9.621   4.034  -3.915
   38    HD2  LYS   4           HD2      LYS   4  -8.385   5.805  -5.081
   39    HD3  LYS   4           HD1      LYS   4  -7.506   4.574  -5.992
   40    HE2  LYS   4           HE2      LYS   4  -9.639   3.738  -6.875
   41    HE3  LYS   4           HE1      LYS   4 -10.484   5.019  -6.014
   42    HZ1  LYS   4           HZ1      LYS   4  -8.442   5.447  -8.124
   43    HZ2  LYS   4           HZ2      LYS   4  -9.335   6.657  -7.356
   44    HZ3  LYS   4           HZ3      LYS   4 -10.103   5.542  -8.348
   45    H    LEU   5           HN       LEU   5  -7.739   4.072  -0.055
   46    HA   LEU   5           HA       LEU   5  -4.976   4.153   0.515
   47    HB2  LEU   5           HB2      LEU   5  -7.298   4.305   2.422
   48    HB3  LEU   5           HB1      LEU   5  -5.646   4.751   2.792
   49    HG   LEU   5           HG       LEU   5  -7.453   6.132   0.816
   50   HD11  LEU   5          HD11      LEU   5  -8.065   6.517   3.134
   51   HD12  LEU   5          HD12      LEU   5  -7.358   7.967   2.415
   52   HD13  LEU   5          HD13      LEU   5  -6.402   6.969   3.508
   53   HD21  LEU   5          HD21      LEU   5  -5.125   6.215   0.088
   54   HD22  LEU   5          HD22      LEU   5  -4.639   6.774   1.689
   55   HD23  LEU   5          HD23      LEU   5  -5.659   7.789   0.673
   56    H    LYS   6           HN       LYS   6  -7.454   1.800   1.206
   57    HA   LYS   6           HA       LYS   6  -5.895   0.313   3.105
   58    HB2  LYS   6           HB2      LYS   6  -8.383   0.386   3.142
   59    HB3  LYS   6           HB1      LYS   6  -8.413  -0.421   1.586
   60    HG2  LYS   6           HG2      LYS   6  -7.425  -2.410   2.590
   61    HG3  LYS   6           HG1      LYS   6  -7.349  -1.590   4.153
   62    HD2  LYS   6           HD2      LYS   6  -9.799  -1.336   4.116
   63    HD3  LYS   6           HD1      LYS   6  -9.856  -2.197   2.579
   64    HE2  LYS   6           HE2      LYS   6  -8.907  -4.178   3.661
   65    HE3  LYS   6           HE1      LYS   6  -8.845  -3.313   5.193
   66    HZ1  LYS   6           HZ1      LYS   6 -11.248  -3.125   5.152
   67    HZ2  LYS   6           HZ2      LYS   6 -10.809  -4.749   5.018
   68    HZ3  LYS   6           HZ3      LYS   6 -11.329  -3.917   3.672
   69    H    LEU   7           HN       LEU   7  -6.729   0.188  -0.279
   70    HA   LEU   7           HA       LEU   7  -5.462  -2.269  -0.908
   71    HB2  LEU   7           HB2      LEU   7  -6.062   0.089  -2.698
   72    HB3  LEU   7           HB1      LEU   7  -5.667  -1.528  -3.241
   73    HG   LEU   7           HG       LEU   7  -8.151  -0.746  -1.710
   74   HD11  LEU   7          HD11      LEU   7  -9.323  -1.233  -3.794
   75   HD12  LEU   7          HD12      LEU   7  -7.779  -1.512  -4.596
   76   HD13  LEU   7          HD13      LEU   7  -8.178   0.092  -3.985
   77   HD21  LEU   7          HD21      LEU   7  -7.473  -3.024  -1.177
   78   HD22  LEU   7          HD22      LEU   7  -7.318  -3.398  -2.893
   79   HD23  LEU   7          HD23      LEU   7  -8.904  -3.037  -2.210
   80    H    ALA   8           HN       ALA   8  -4.429   1.075  -0.879
   81    HA   ALA   8           HA       ALA   8  -1.904   0.797  -2.037
   82    HB1  ALA   8           HB1      ALA   8  -2.772   2.755   0.085
   83    HB2  ALA   8           HB2      ALA   8  -3.019   2.947  -1.650
   84    HB3  ALA   8           HB3      ALA   8  -1.384   2.929  -0.990
   85    H    LEU   9           HN       LEU   9  -3.039   0.111   1.175
   86    HA   LEU   9           HA       LEU   9  -0.484  -0.117   2.436
   87    HB2  LEU   9           HB2      LEU   9  -3.130  -1.374   3.161
   88    HB3  LEU   9           HB1      LEU   9  -1.716  -1.343   4.193
   89    HG   LEU   9           HG       LEU   9  -3.242   1.090   3.274
   90   HD11  LEU   9          HD11      LEU   9  -3.188  -0.295   5.945
   91   HD12  LEU   9          HD12      LEU   9  -4.539  -0.284   4.813
   92   HD13  LEU   9          HD13      LEU   9  -4.016   1.218   5.578
   93   HD21  LEU   9          HD21      LEU   9  -0.902   1.588   3.671
   94   HD22  LEU   9          HD22      LEU   9  -0.967   0.752   5.218
   95   HD23  LEU   9          HD23      LEU   9  -1.883   2.241   4.987
   96    H    ARG  10           HN       ARG  10  -2.561  -2.208   0.635
   97    HA   ARG  10           HA       ARG  10  -1.149  -4.642   1.151
   98    HB2  ARG  10           HB2      ARG  10  -3.071  -3.889  -1.065
   99    HB3  ARG  10           HB1      ARG  10  -2.482  -5.513  -0.749
  100    HG2  ARG  10           HG2      ARG  10  -3.615  -5.569   1.368
  101    HG3  ARG  10           HG1      ARG  10  -4.073  -3.874   1.198
  102    HD2  ARG  10           HD2      ARG  10  -5.930  -5.377   0.680
  103    HD3  ARG  10           HD1      ARG  10  -5.463  -4.415  -0.717
  104    HE   ARG  10           HE       ARG  10  -4.082  -6.675  -1.102
  105   HH11  ARG  10          HH11      ARG  10  -7.499  -6.141  -0.337
  106   HH12  ARG  10          HH12      ARG  10  -8.042  -7.538  -1.144
  107   HH21  ARG  10          HH21      ARG  10  -4.859  -8.583  -2.252
  108   HH22  ARG  10          HH22      ARG  10  -6.524  -8.939  -2.251
  109    H    LEU  11           HN       LEU  11  -1.336  -2.312  -1.446
  110    HA   LEU  11           HA       LEU  11   0.454  -3.426  -3.245
  111    HB2  LEU  11           HB2      LEU  11  -1.087  -1.557  -3.714
  112    HB3  LEU  11           HB1      LEU  11  -0.097  -0.509  -2.721
  113    HG   LEU  11           HG       LEU  11   1.772  -0.806  -4.324
  114   HD11  LEU  11          HD11      LEU  11   1.156  -2.978  -5.230
  115   HD12  LEU  11          HD12      LEU  11   1.310  -1.782  -6.515
  116   HD13  LEU  11          HD13      LEU  11  -0.288  -2.275  -5.958
  117   HD21  LEU  11          HD21      LEU  11  -0.814   0.176  -5.510
  118   HD22  LEU  11          HD22      LEU  11   0.801   0.579  -6.089
  119   HD23  LEU  11          HD23      LEU  11   0.277   1.112  -4.490
  120    H    ALA  12           HN       ALA  12   1.062  -1.063  -0.655
  121    HA   ALA  12           HA       ALA  12   3.834  -0.804  -1.162
  122    HB1  ALA  12           HB1      ALA  12   3.960   0.304   0.998
  123    HB2  ALA  12           HB2      ALA  12   2.321  -0.241   1.377
  124    HB3  ALA  12           HB3      ALA  12   2.600   0.883   0.045
  125    H    ALA  13           HN       ALA  13   2.077  -3.269   0.385
  126    HA   ALA  13           HA       ALA  13   4.298  -4.211   1.965
  127    HB1  ALA  13           HB1      ALA  13   1.676  -5.548   1.295
  128    HB2  ALA  13           HB2      ALA  13   2.001  -4.581   2.734
  129    HB3  ALA  13           HB3      ALA  13   2.849  -6.110   2.488
  130    H    LYS  14           HN       LYS  14   2.983  -4.663  -1.216
  131    HA   LYS  14           HA       LYS  14   4.495  -7.076  -1.753
  132    HB2  LYS  14           HB2      LYS  14   2.742  -5.303  -3.414
  133    HB3  LYS  14           HB1      LYS  14   3.437  -6.832  -3.939
  134    HG2  LYS  14           HG2      LYS  14   2.120  -8.065  -2.459
  135    HG3  LYS  14           HG1      LYS  14   1.688  -6.635  -1.524
  136    HD2  LYS  14           HD2      LYS  14  -0.112  -7.498  -3.012
  137    HD3  LYS  14           HD1      LYS  14   0.309  -5.805  -3.274
  138    HE2  LYS  14           HE2      LYS  14   0.001  -6.924  -5.358
  139    HE3  LYS  14           HE1      LYS  14   1.685  -6.468  -5.172
  140    HZ1  LYS  14           HZ1      LYS  14   0.586  -9.209  -4.792
  141    HZ2  LYS  14           HZ2      LYS  14   2.175  -8.781  -4.497
  142    HZ3  LYS  14           HZ3      LYS  14   1.560  -8.681  -6.047
  143    H    ILE  15           HN       ILE  15   4.481  -3.642  -2.550
  144    HA   ILE  15           HA       ILE  15   7.150  -3.934  -3.608
  145    HB   ILE  15           HB       ILE  15   5.808  -3.922  -5.607
  146   HG12  ILE  15          HG12      ILE  15   6.973  -1.158  -5.190
  147   HG13  ILE  15          HG11      ILE  15   7.853  -2.583  -5.728
  148   HG21  ILE  15          HG21      ILE  15   3.723  -3.077  -4.771
  149   HG22  ILE  15          HG22      ILE  15   4.217  -2.151  -6.189
  150   HG23  ILE  15          HG23      ILE  15   4.417  -1.469  -4.576
  151   HD11  ILE  15          HD11      ILE  15   5.639  -1.195  -7.226
  152   HD12  ILE  15          HD12      ILE  15   6.496  -2.636  -7.767
  153   HD13  ILE  15          HD13      ILE  15   7.363  -1.111  -7.590
  154    H    ALA  16           HN       ALA  16   8.439  -2.594  -2.702
  155    HA   ALA  16           HA       ALA  16   7.511  -0.673  -0.825
  156    HB1  ALA  16           HB1      ALA  16  10.300  -1.187  -1.858
  157    HB2  ALA  16           HB2      ALA  16   9.561  -1.958  -0.457
  158    HB3  ALA  16           HB3      ALA  16   9.886  -0.226  -0.438
  159    HA   PRO  17           HA       PRO  17   7.070   2.507  -3.869
  160    HB2  PRO  17           HB2      PRO  17   6.438   4.535  -2.162
  161    HB3  PRO  17           HB1      PRO  17   5.284   3.300  -2.674
  162    HG2  PRO  17           HG2      PRO  17   6.823   3.519  -0.130
  163    HG3  PRO  17           HG1      PRO  17   5.165   2.953  -0.400
  164    HD2  PRO  17           HD2      PRO  17   7.292   1.299   0.007
  165    HD3  PRO  17           HD1      PRO  17   5.841   0.835  -0.904
  166    H    VAL  18           HN       VAL  18   9.159   2.642  -4.530
  167    HA   VAL  18           HA       VAL  18  10.833   4.599  -3.163
  168    HB   VAL  18           HB       VAL  18  12.684   3.839  -4.638
  169   HG11  VAL  18          HG11      VAL  18  11.319   1.618  -3.139
  170   HG12  VAL  18          HG12      VAL  18  12.429   2.812  -2.468
  171   HG13  VAL  18          HG13      VAL  18  13.009   1.628  -3.638
  172   HG21  VAL  18          HG21      VAL  18  11.403   3.108  -6.576
  173   HG22  VAL  18          HG22      VAL  18  10.693   1.795  -5.635
  174   HG23  VAL  18          HG23      VAL  18  12.421   1.792  -5.990
  175    H    TRP  19           HN       TRP  19  11.892   6.223  -4.538
  176    HA   TRP  19           HA       TRP  19   9.863   7.270  -6.346
  177    HB2  TRP  19           HB2      TRP  19  10.733   8.618  -4.408
  178    HB3  TRP  19           HB1      TRP  19  12.293   8.652  -5.217
  179    HD1  TRP  19           HD1      TRP  19  12.461  10.180  -7.462
  180    HE1  TRP  19           HE1      TRP  19  11.073  12.206  -8.225
  181    HE3  TRP  19           HE3      TRP  19   8.417   9.578  -4.410
  182    HZ2  TRP  19           HZ2      TRP  19   8.586  13.385  -7.616
  183    HZ3  TRP  19           HZ3      TRP  19   6.578  11.204  -4.558
  184    HH2  TRP  19           HH2      TRP  19   6.668  13.066  -6.131
  Start of MODEL    7
    1    H2   PRO   1           HT1      PRO   1 -13.929  -1.352  -6.171
    2    H3   PRO   1           HT2      PRO   1 -12.867  -1.688  -7.352
    3    HA   PRO   1           HA       PRO   1 -11.998  -2.291  -5.230
    4    HB2  PRO   1           HB2      PRO   1 -10.225  -0.200  -5.155
    5    HB3  PRO   1           HB1      PRO   1 -10.083  -1.594  -6.233
    6    HG2  PRO   1           HG2      PRO   1 -11.156   1.133  -6.799
    7    HG3  PRO   1           HG1      PRO   1 -10.202   0.063  -7.841
    8    HD2  PRO   1           HD2      PRO   1 -12.820   0.366  -8.232
    9    HD3  PRO   1           HD1      PRO   1 -12.000  -1.162  -8.479
   10    H    MET   2           HN       MET   2 -12.572  -2.114  -3.154
   11    HA   MET   2           HA       MET   2 -13.613   0.429  -2.225
   12    HB2  MET   2           HB2      MET   2 -13.607  -2.310  -0.957
   13    HB3  MET   2           HB1      MET   2 -14.227  -0.869  -0.169
   14    HG2  MET   2           HG2      MET   2 -15.270  -2.054  -2.730
   15    HG3  MET   2           HG1      MET   2 -15.999  -2.240  -1.136
   16    HE1  MET   2           HE1      MET   2 -18.315  -1.409  -2.173
   17    HE2  MET   2           HE2      MET   2 -17.545  -1.198  -3.746
   18    HE3  MET   2           HE3      MET   2 -18.502   0.110  -3.050
   19    H    LYS   3           HN       LYS   3 -12.502   1.747  -1.100
   20    HA   LYS   3           HA       LYS   3 -10.971   2.742   0.114
   21    HB2  LYS   3           HB2      LYS   3 -10.458   0.052   1.405
   22    HB3  LYS   3           HB1      LYS   3  -9.972   1.616   2.050
   23    HG2  LYS   3           HG2      LYS   3 -12.785   0.605   1.674
   24    HG3  LYS   3           HG1      LYS   3 -11.944   0.866   3.204
   25    HD2  LYS   3           HD2      LYS   3 -11.910   3.220   2.874
   26    HD3  LYS   3           HD1      LYS   3 -12.461   3.067   1.213
   27    HE2  LYS   3           HE2      LYS   3 -14.565   2.068   2.092
   28    HE3  LYS   3           HE1      LYS   3 -14.019   2.514   3.712
   29    HZ1  LYS   3           HZ1      LYS   3 -14.372   4.369   1.447
   30    HZ2  LYS   3           HZ2      LYS   3 -13.923   4.817   3.005
   31    HZ3  LYS   3           HZ3      LYS   3 -15.467   4.191   2.715
   32    H    LYS   4           HN       LYS   4  -9.811   3.389  -1.445
   33    HA   LYS   4           HA       LYS   4  -7.785   1.952  -2.773
   34    HB2  LYS   4           HB2      LYS   4  -8.105   4.929  -2.440
   35    HB3  LYS   4           HB1      LYS   4  -7.011   4.147  -3.567
   36    HG2  LYS   4           HG2      LYS   4  -8.901   3.168  -4.742
   37    HG3  LYS   4           HG1      LYS   4 -10.013   3.933  -3.604
   38    HD2  LYS   4           HD2      LYS   4  -9.149   6.133  -4.266
   39    HD3  LYS   4           HD1      LYS   4  -8.077   5.349  -5.419
   40    HE2  LYS   4           HE2      LYS   4 -10.029   4.449  -6.607
   41    HE3  LYS   4           HE1      LYS   4 -11.086   5.272  -5.459
   42    HZ1  LYS   4           HZ1      LYS   4 -10.817   6.552  -7.492
   43    HZ2  LYS   4           HZ2      LYS   4  -9.150   6.608  -7.263
   44    HZ3  LYS   4           HZ3      LYS   4 -10.163   7.384  -6.181
   45    H    LEU   5           HN       LEU   5  -7.765   3.778   0.199
   46    HA   LEU   5           HA       LEU   5  -4.905   3.947   0.406
   47    HB2  LEU   5           HB2      LEU   5  -7.028   4.243   2.535
   48    HB3  LEU   5           HB1      LEU   5  -5.332   4.602   2.759
   49    HG   LEU   5           HG       LEU   5  -7.200   6.067   0.888
   50   HD11  LEU   5          HD11      LEU   5  -6.952   7.922   2.451
   51   HD12  LEU   5          HD12      LEU   5  -5.967   6.911   3.503
   52   HD13  LEU   5          HD13      LEU   5  -7.667   6.516   3.242
   53   HD21  LEU   5          HD21      LEU   5  -4.922   6.033   0.037
   54   HD22  LEU   5          HD22      LEU   5  -4.315   6.576   1.602
   55   HD23  LEU   5          HD23      LEU   5  -5.333   7.639   0.634
   56    H    LYS   6           HN       LYS   6  -7.370   1.764   1.431
   57    HA   LYS   6           HA       LYS   6  -5.771   0.164   3.154
   58    HB2  LYS   6           HB2      LYS   6  -8.203   0.187   3.309
   59    HB3  LYS   6           HB1      LYS   6  -8.335  -0.387   1.658
   60    HG2  LYS   6           HG2      LYS   6  -7.396  -2.526   2.307
   61    HG3  LYS   6           HG1      LYS   6  -7.183  -1.937   3.960
   62    HD2  LYS   6           HD2      LYS   6  -9.551  -1.678   4.234
   63    HD3  LYS   6           HD1      LYS   6  -9.845  -2.077   2.546
   64    HE2  LYS   6           HE2      LYS   6  -8.665  -3.918   4.619
   65    HE3  LYS   6           HE1      LYS   6 -10.333  -3.964   4.049
   66    HZ1  LYS   6           HZ1      LYS   6  -9.436  -4.407   1.805
   67    HZ2  LYS   6           HZ2      LYS   6  -9.100  -5.616   2.906
   68    HZ3  LYS   6           HZ3      LYS   6  -7.882  -4.541   2.469
   69    H    LEU   7           HN       LEU   7  -6.737  -0.005  -0.227
   70    HA   LEU   7           HA       LEU   7  -5.267  -2.358  -0.790
   71    HB2  LEU   7           HB2      LEU   7  -6.287  -0.208  -2.634
   72    HB3  LEU   7           HB1      LEU   7  -5.609  -1.735  -3.160
   73    HG   LEU   7           HG       LEU   7  -8.135  -1.405  -1.540
   74   HD11  LEU   7          HD11      LEU   7  -7.713  -2.183  -4.411
   75   HD12  LEU   7          HD12      LEU   7  -8.378  -0.655  -3.832
   76   HD13  LEU   7          HD13      LEU   7  -9.257  -2.161  -3.561
   77   HD21  LEU   7          HD21      LEU   7  -8.443  -3.810  -1.964
   78   HD22  LEU   7          HD22      LEU   7  -7.016  -3.492  -0.987
   79   HD23  LEU   7          HD23      LEU   7  -6.843  -3.875  -2.702
   80    H    ALA   8           HN       ALA   8  -4.484   1.050  -0.820
   81    HA   ALA   8           HA       ALA   8  -2.010   0.874  -2.146
   82    HB1  ALA   8           HB1      ALA   8  -1.476   3.007  -1.088
   83    HB2  ALA   8           HB2      ALA   8  -2.829   2.798   0.025
   84    HB3  ALA   8           HB3      ALA   8  -3.131   3.008  -1.700
   85    H    LEU   9           HN       LEU   9  -2.957   0.338   1.171
   86    HA   LEU   9           HA       LEU   9  -0.344   0.080   2.220
   87    HB2  LEU   9           HB2      LEU   9  -2.372   0.467   3.595
   88    HB3  LEU   9           HB1      LEU   9  -2.920  -1.149   3.206
   89    HG   LEU   9           HG       LEU   9  -0.902  -2.047   4.340
   90   HD11  LEU   9          HD11      LEU   9  -0.514   0.808   5.210
   91   HD12  LEU   9          HD12      LEU   9   0.565  -0.135   4.180
   92   HD13  LEU   9          HD13      LEU   9   0.336  -0.588   5.867
   93   HD21  LEU   9          HD21      LEU   9  -2.729  -0.322   5.996
   94   HD22  LEU   9          HD22      LEU   9  -1.724  -1.632   6.615
   95   HD23  LEU   9          HD23      LEU   9  -3.032  -1.982   5.484
   96    H    ARG  10           HN       ARG  10  -2.518  -2.056   0.561
   97    HA   ARG  10           HA       ARG  10  -0.920  -4.405   1.041
   98    HB2  ARG  10           HB2      ARG  10  -3.146  -3.977  -0.963
   99    HB3  ARG  10           HB1      ARG  10  -2.394  -5.523  -0.609
  100    HG2  ARG  10           HG2      ARG  10  -4.114  -3.853   1.208
  101    HG3  ARG  10           HG1      ARG  10  -4.489  -5.432   0.519
  102    HD2  ARG  10           HD2      ARG  10  -2.390  -4.799   2.602
  103    HD3  ARG  10           HD1      ARG  10  -3.888  -5.697   2.819
  104    HE   ARG  10           HE       ARG  10  -2.622  -7.151   0.954
  105   HH11  ARG  10          HH11      ARG  10  -1.566  -5.968   4.137
  106   HH12  ARG  10          HH12      ARG  10  -0.457  -7.231   4.382
  107   HH21  ARG  10          HH21      ARG  10  -1.100  -8.877   1.319
  108   HH22  ARG  10          HH22      ARG  10  -0.186  -8.923   2.737
  109    H    LEU  11           HN       LEU  11  -1.246  -1.991  -1.467
  110    HA   LEU  11           HA       LEU  11   0.492  -3.157  -3.353
  111    HB2  LEU  11           HB2      LEU  11  -0.056  -0.238  -2.764
  112    HB3  LEU  11           HB1      LEU  11   0.911  -0.787  -4.113
  113    HG   LEU  11           HG       LEU  11  -2.025  -1.404  -3.731
  114   HD11  LEU  11          HD11      LEU  11  -1.635   0.973  -4.188
  115   HD12  LEU  11          HD12      LEU  11  -2.379   0.166  -5.566
  116   HD13  LEU  11          HD13      LEU  11  -0.656   0.536  -5.588
  117   HD21  LEU  11          HD21      LEU  11  -0.847  -3.131  -5.005
  118   HD22  LEU  11          HD22      LEU  11  -0.166  -1.898  -6.062
  119   HD23  LEU  11          HD23      LEU  11  -1.904  -2.187  -6.054
  120    H    ALA  12           HN       ALA  12   1.068  -0.905  -0.699
  121    HA   ALA  12           HA       ALA  12   3.863  -0.757  -0.986
  122    HB1  ALA  12           HB1      ALA  12   2.536   0.910   0.227
  123    HB2  ALA  12           HB2      ALA  12   3.838   0.263   1.228
  124    HB3  ALA  12           HB3      ALA  12   2.183  -0.287   1.473
  125    H    ALA  13           HN       ALA  13   1.876  -3.203   0.308
  126    HA   ALA  13           HA       ALA  13   3.824  -4.317   2.079
  127    HB1  ALA  13           HB1      ALA  13   1.426  -4.697   2.429
  128    HB2  ALA  13           HB2      ALA  13   2.299  -6.219   2.263
  129    HB3  ALA  13           HB3      ALA  13   1.350  -5.597   0.915
  130    H    LYS  14           HN       LYS  14   2.723  -5.079  -1.233
  131    HA   LYS  14           HA       LYS  14   4.771  -7.111  -1.409
  132    HB2  LYS  14           HB2      LYS  14   3.790  -7.449  -3.722
  133    HB3  LYS  14           HB1      LYS  14   2.756  -7.826  -2.355
  134    HG2  LYS  14           HG2      LYS  14   1.602  -5.710  -2.627
  135    HG3  LYS  14           HG1      LYS  14   2.665  -5.294  -3.971
  136    HD2  LYS  14           HD2      LYS  14   1.857  -7.157  -5.237
  137    HD3  LYS  14           HD1      LYS  14   0.876  -7.708  -3.880
  138    HE2  LYS  14           HE2      LYS  14   0.541  -5.052  -5.261
  139    HE3  LYS  14           HE1      LYS  14  -0.405  -6.499  -5.604
  140    HZ1  LYS  14           HZ1      LYS  14  -0.301  -5.158  -2.948
  141    HZ2  LYS  14           HZ2      LYS  14  -1.210  -6.495  -3.368
  142    HZ3  LYS  14           HZ3      LYS  14  -1.554  -5.020  -4.082
  143    H    ILE  15           HN       ILE  15   4.233  -3.855  -2.493
  144    HA   ILE  15           HA       ILE  15   6.786  -3.951  -3.914
  145    HB   ILE  15           HB       ILE  15   4.438  -2.054  -4.314
  146   HG12  ILE  15          HG12      ILE  15   5.533  -4.168  -6.189
  147   HG13  ILE  15          HG11      ILE  15   4.067  -4.343  -5.235
  148   HG21  ILE  15          HG21      ILE  15   6.574  -0.931  -4.666
  149   HG22  ILE  15          HG22      ILE  15   5.741  -1.154  -6.206
  150   HG23  ILE  15          HG23      ILE  15   7.081  -2.212  -5.769
  151   HD11  ILE  15          HD11      ILE  15   3.560  -3.784  -7.540
  152   HD12  ILE  15          HD12      ILE  15   4.537  -2.320  -7.416
  153   HD13  ILE  15          HD13      ILE  15   3.062  -2.479  -6.466
  154    H    ALA  16           HN       ALA  16   8.269  -3.080  -2.661
  155    HA   ALA  16           HA       ALA  16   7.580  -1.558  -0.342
  156    HB1  ALA  16           HB1      ALA  16  10.281  -2.181  -1.518
  157    HB2  ALA  16           HB2      ALA  16   9.433  -3.152  -0.317
  158    HB3  ALA  16           HB3      ALA  16   9.978  -1.523   0.090
  159    HA   PRO  17           HA       PRO  17   7.965   2.243  -2.638
  160    HB2  PRO  17           HB2      PRO  17   6.877   3.867  -0.746
  161    HB3  PRO  17           HB1      PRO  17   5.896   2.892  -1.842
  162    HG2  PRO  17           HG2      PRO  17   6.503   2.471   1.027
  163    HG3  PRO  17           HG1      PRO  17   5.085   1.978   0.093
  164    HD2  PRO  17           HD2      PRO  17   7.236   0.336   0.851
  165    HD3  PRO  17           HD1      PRO  17   5.990  -0.053  -0.347
  166    H    VAL  18           HN       VAL  18  10.125   2.430  -2.637
  167    HA   VAL  18           HA       VAL  18  11.571   3.034  -0.225
  168    HB   VAL  18           HB       VAL  18  12.621   2.907  -3.078
  169   HG11  VAL  18          HG11      VAL  18  14.825   2.624  -2.055
  170   HG12  VAL  18          HG12      VAL  18  14.105   2.795  -0.456
  171   HG13  VAL  18          HG13      VAL  18  14.092   4.157  -1.576
  172   HG21  VAL  18          HG21      VAL  18  13.412   0.657  -2.518
  173   HG22  VAL  18          HG22      VAL  18  11.654   0.766  -2.395
  174   HG23  VAL  18          HG23      VAL  18  12.643   0.779  -0.937
  175    H    TRP  19           HN       TRP  19  10.415   4.848   0.210
  176    HA   TRP  19           HA       TRP  19  11.671   7.254  -0.007
  177    HB2  TRP  19           HB2      TRP  19   9.383   6.979  -1.961
  178    HB3  TRP  19           HB1      TRP  19   9.540   8.479  -1.063
  179    HD1  TRP  19           HD1      TRP  19  12.675   8.853  -1.216
  180    HE1  TRP  19           HE1      TRP  19  13.781   9.453  -3.448
  181    HE3  TRP  19           HE3      TRP  19   8.999   7.242  -4.373
  182    HZ2  TRP  19           HZ2      TRP  19  13.159   9.280  -6.208
  183    HZ3  TRP  19           HZ3      TRP  19   9.333   7.511  -6.799
  184    HH2  TRP  19           HH2      TRP  19  11.365   8.509  -7.686
  Start of MODEL    8
    1    H2   PRO   1           HT1      PRO   1 -17.133   1.747  -1.701
    2    H3   PRO   1           HT2      PRO   1 -17.398   0.131  -1.501
    3    HA   PRO   1           HA       PRO   1 -16.119  -0.425  -3.423
    4    HB2  PRO   1           HB2      PRO   1 -14.408   1.770  -3.476
    5    HB3  PRO   1           HB1      PRO   1 -15.579   1.361  -4.737
    6    HG2  PRO   1           HG2      PRO   1 -15.827   3.307  -2.491
    7    HG3  PRO   1           HG1      PRO   1 -16.451   3.416  -4.146
    8    HD2  PRO   1           HD2      PRO   1 -18.118   2.870  -2.163
    9    HD3  PRO   1           HD1      PRO   1 -18.244   2.071  -3.720
   10    H    MET   2           HN       MET   2 -13.803  -0.853  -2.933
   11    HA   MET   2           HA       MET   2 -13.366  -0.963  -0.102
   12    HB2  MET   2           HB2      MET   2 -11.643  -1.800  -2.439
   13    HB3  MET   2           HB1      MET   2 -11.111  -1.927  -0.772
   14    HG2  MET   2           HG2      MET   2 -12.998  -3.416  -0.306
   15    HG3  MET   2           HG1      MET   2 -13.473  -3.316  -2.002
   16    HE1  MET   2           HE1      MET   2 -12.921  -6.045  -0.391
   17    HE2  MET   2           HE2      MET   2 -12.045  -6.961  -1.615
   18    HE3  MET   2           HE3      MET   2 -13.444  -5.990  -2.074
   19    H    LYS   3           HN       LYS   3 -11.536  -0.097   0.916
   20    HA   LYS   3           HA       LYS   3 -11.236   2.642   0.337
   21    HB2  LYS   3           HB2      LYS   3  -9.856   0.859   2.336
   22    HB3  LYS   3           HB1      LYS   3  -9.722   2.604   2.323
   23    HG2  LYS   3           HG2      LYS   3 -12.249   1.014   2.768
   24    HG3  LYS   3           HG1      LYS   3 -11.326   1.872   4.001
   25    HD2  LYS   3           HD2      LYS   3 -11.800   4.002   2.873
   26    HD3  LYS   3           HD1      LYS   3 -12.690   3.140   1.623
   27    HE2  LYS   3           HE2      LYS   3 -14.214   4.132   3.223
   28    HE3  LYS   3           HE1      LYS   3 -14.302   2.376   3.291
   29    HZ1  LYS   3           HZ1      LYS   3 -12.759   4.071   5.173
   30    HZ2  LYS   3           HZ2      LYS   3 -12.976   2.395   5.276
   31    HZ3  LYS   3           HZ3      LYS   3 -14.283   3.437   5.483
   32    H    LYS   4           HN       LYS   4  -9.856   3.599  -0.852
   33    HA   LYS   4           HA       LYS   4  -8.050   2.388  -2.604
   34    HB2  LYS   4           HB2      LYS   4  -7.969   5.220  -1.574
   35    HB3  LYS   4           HB1      LYS   4  -7.223   4.625  -3.045
   36    HG2  LYS   4           HG2      LYS   4  -9.451   4.178  -3.971
   37    HG3  LYS   4           HG1      LYS   4 -10.172   4.822  -2.489
   38    HD2  LYS   4           HD2      LYS   4  -9.041   6.957  -2.871
   39    HD3  LYS   4           HD1      LYS   4  -8.348   6.322  -4.360
   40    HE2  LYS   4           HE2      LYS   4 -10.632   6.001  -5.238
   41    HE3  LYS   4           HE1      LYS   4 -11.268   6.718  -3.761
   42    HZ1  LYS   4           HZ1      LYS   4 -11.115   8.353  -5.540
   43    HZ2  LYS   4           HZ2      LYS   4  -9.463   8.065  -5.682
   44    HZ3  LYS   4           HZ3      LYS   4 -10.069   8.748  -4.276
   45    H    LEU   5           HN       LEU   5  -7.641   3.985   0.482
   46    HA   LEU   5           HA       LEU   5  -4.842   3.933   0.585
   47    HB2  LEU   5           HB2      LEU   5  -6.928   4.153   2.723
   48    HB3  LEU   5           HB1      LEU   5  -5.234   4.045   3.136
   49    HG   LEU   5           HG       LEU   5  -4.826   6.145   1.860
   50   HD11  LEU   5          HD11      LEU   5  -6.752   6.024   0.319
   51   HD12  LEU   5          HD12      LEU   5  -6.638   7.557   1.179
   52   HD13  LEU   5          HD13      LEU   5  -7.820   6.362   1.689
   53   HD21  LEU   5          HD21      LEU   5  -5.139   6.193   4.236
   54   HD22  LEU   5          HD22      LEU   5  -6.889   6.287   4.031
   55   HD23  LEU   5          HD23      LEU   5  -5.866   7.618   3.493
   56    H    LYS   6           HN       LYS   6  -7.249   1.598   1.651
   57    HA   LYS   6           HA       LYS   6  -5.353  -0.087   2.920
   58    HB2  LYS   6           HB2      LYS   6  -8.141  -0.645   1.924
   59    HB3  LYS   6           HB1      LYS   6  -7.158  -1.850   2.746
   60    HG2  LYS   6           HG2      LYS   6  -7.008  -0.399   4.700
   61    HG3  LYS   6           HG1      LYS   6  -8.011   0.797   3.883
   62    HD2  LYS   6           HD2      LYS   6  -9.870  -0.716   3.830
   63    HD3  LYS   6           HD1      LYS   6  -8.876  -2.033   4.461
   64    HE2  LYS   6           HE2      LYS   6  -9.529   0.533   5.896
   65    HE3  LYS   6           HE1      LYS   6 -10.306  -1.019   6.193
   66    HZ1  LYS   6           HZ1      LYS   6  -8.561  -0.621   7.812
   67    HZ2  LYS   6           HZ2      LYS   6  -7.408  -0.435   6.602
   68    HZ3  LYS   6           HZ3      LYS   6  -8.149  -1.913   6.828
   69    H    LEU   7           HN       LEU   7  -6.745  -0.021  -0.290
   70    HA   LEU   7           HA       LEU   7  -5.413  -2.308  -1.277
   71    HB2  LEU   7           HB2      LEU   7  -6.277   0.179  -2.760
   72    HB3  LEU   7           HB1      LEU   7  -5.823  -1.333  -3.512
   73    HG   LEU   7           HG       LEU   7  -8.231  -0.905  -1.740
   74   HD11  LEU   7          HD11      LEU   7  -9.515  -1.218  -3.790
   75   HD12  LEU   7          HD12      LEU   7  -8.018  -1.303  -4.716
   76   HD13  LEU   7          HD13      LEU   7  -8.463   0.194  -3.893
   77   HD21  LEU   7          HD21      LEU   7  -7.344  -3.335  -3.301
   78   HD22  LEU   7          HD22      LEU   7  -8.884  -3.162  -2.460
   79   HD23  LEU   7          HD23      LEU   7  -7.380  -3.182  -1.542
   80    H    ALA   8           HN       ALA   8  -4.510   1.066  -1.022
   81    HA   ALA   8           HA       ALA   8  -2.074   0.966  -2.426
   82    HB1  ALA   8           HB1      ALA   8  -3.218   3.054  -1.888
   83    HB2  ALA   8           HB2      ALA   8  -1.565   3.068  -1.262
   84    HB3  ALA   8           HB3      ALA   8  -2.919   2.783  -0.173
   85    H    LEU   9           HN       LEU   9  -2.877   0.548   0.986
   86    HA   LEU   9           HA       LEU   9  -0.270   0.132   1.941
   87    HB2  LEU   9           HB2      LEU   9  -2.890  -0.960   2.976
   88    HB3  LEU   9           HB1      LEU   9  -1.380  -1.002   3.855
   89    HG   LEU   9           HG       LEU   9  -2.884   1.489   3.063
   90   HD11  LEU   9          HD11      LEU   9  -2.533   0.171   5.743
   91   HD12  LEU   9          HD12      LEU   9  -4.022   0.246   4.803
   92   HD13  LEU   9          HD13      LEU   9  -3.313   1.725   5.455
   93   HD21  LEU   9          HD21      LEU   9  -0.481   1.887   3.124
   94   HD22  LEU   9          HD22      LEU   9  -0.387   1.155   4.726
   95   HD23  LEU   9          HD23      LEU   9  -1.274   2.662   4.494
   96    H    ARG  10           HN       ARG  10  -2.691  -2.092   0.695
   97    HA   ARG  10           HA       ARG  10  -1.262  -4.475   1.091
   98    HB2  ARG  10           HB2      ARG  10  -3.356  -3.765  -0.953
   99    HB3  ARG  10           HB1      ARG  10  -2.728  -5.392  -0.728
  100    HG2  ARG  10           HG2      ARG  10  -3.566  -5.458   1.519
  101    HG3  ARG  10           HG1      ARG  10  -4.082  -3.775   1.410
  102    HD2  ARG  10           HD2      ARG  10  -5.963  -5.299   1.121
  103    HD3  ARG  10           HD1      ARG  10  -5.668  -4.361  -0.336
  104    HE   ARG  10           HE       ARG  10  -4.663  -6.292  -1.319
  105   HH11  ARG  10          HH11      ARG  10  -6.527  -6.900   1.664
  106   HH12  ARG  10          HH12      ARG  10  -6.935  -8.491   1.281
  107   HH21  ARG  10          HH21      ARG  10  -5.281  -8.539  -1.877
  108   HH22  ARG  10          HH22      ARG  10  -6.204  -9.460  -0.799
  109    H    LEU  11           HN       LEU  11  -1.174  -2.149  -1.516
  110    HA   LEU  11           HA       LEU  11   0.590  -3.682  -3.159
  111    HB2  LEU  11           HB2      LEU  11  -0.769  -1.923  -4.140
  112    HB3  LEU  11           HB1      LEU  11   0.000  -0.719  -3.125
  113    HG   LEU  11           HG       LEU  11   2.132  -1.108  -4.310
  114   HD11  LEU  11          HD11      LEU  11   2.142  -2.384  -6.406
  115   HD12  LEU  11          HD12      LEU  11   0.507  -2.948  -6.057
  116   HD13  LEU  11          HD13      LEU  11   1.840  -3.399  -4.999
  117   HD21  LEU  11          HD21      LEU  11   0.664   0.682  -5.035
  118   HD22  LEU  11          HD22      LEU  11  -0.204  -0.432  -6.092
  119   HD23  LEU  11          HD23      LEU  11   1.485  -0.040  -6.419
  120    H    ALA  12           HN       ALA  12   0.990  -1.155  -0.751
  121    HA   ALA  12           HA       ALA  12   3.773  -0.816  -1.026
  122    HB1  ALA  12           HB1      ALA  12   2.328   0.808   0.097
  123    HB2  ALA  12           HB2      ALA  12   3.662   0.300   1.134
  124    HB3  ALA  12           HB3      ALA  12   2.043  -0.350   1.396
  125    H    ALA  13           HN       ALA  13   1.845  -3.113   0.715
  126    HA   ALA  13           HA       ALA  13   3.892  -4.210   2.306
  127    HB1  ALA  13           HB1      ALA  13   1.394  -5.541   1.249
  128    HB2  ALA  13           HB2      ALA  13   1.514  -4.618   2.748
  129    HB3  ALA  13           HB3      ALA  13   2.398  -6.134   2.574
  130    H    LYS  14           HN       LYS  14   2.847  -4.767  -0.992
  131    HA   LYS  14           HA       LYS  14   4.470  -7.078  -1.432
  132    HB2  LYS  14           HB2      LYS  14   3.215  -5.162  -3.387
  133    HB3  LYS  14           HB1      LYS  14   3.931  -6.712  -3.794
  134    HG2  LYS  14           HG2      LYS  14   2.234  -7.821  -2.390
  135    HG3  LYS  14           HG1      LYS  14   1.504  -6.246  -2.084
  136    HD2  LYS  14           HD2      LYS  14   0.293  -7.338  -3.827
  137    HD3  LYS  14           HD1      LYS  14   1.169  -5.976  -4.522
  138    HE2  LYS  14           HE2      LYS  14   2.917  -7.480  -5.342
  139    HE3  LYS  14           HE1      LYS  14   2.093  -8.851  -4.602
  140    HZ1  LYS  14           HZ1      LYS  14   0.235  -8.455  -6.114
  141    HZ2  LYS  14           HZ2      LYS  14   1.661  -8.728  -6.953
  142    HZ3  LYS  14           HZ3      LYS  14   1.057  -7.166  -6.815
  143    H    ILE  15           HN       ILE  15   4.809  -3.644  -1.811
  144    HA   ILE  15           HA       ILE  15   7.189  -3.701  -3.323
  145    HB   ILE  15           HB       ILE  15   6.105  -1.492  -1.533
  146   HG12  ILE  15          HG12      ILE  15   5.915  -1.872  -4.534
  147   HG13  ILE  15          HG11      ILE  15   4.608  -2.167  -3.398
  148   HG21  ILE  15          HG21      ILE  15   8.232  -1.379  -3.685
  149   HG22  ILE  15          HG22      ILE  15   8.511  -1.226  -1.952
  150   HG23  ILE  15          HG23      ILE  15   7.584   0.010  -2.809
  151   HD11  ILE  15          HD11      ILE  15   4.602   0.209  -2.809
  152   HD12  ILE  15          HD12      ILE  15   4.336  -0.044  -4.531
  153   HD13  ILE  15          HD13      ILE  15   5.915   0.489  -3.953
  154    H    ALA  16           HN       ALA  16   8.894  -4.622  -2.660
  155    HA   ALA  16           HA       ALA  16   9.592  -4.937   0.111
  156    HB1  ALA  16           HB1      ALA  16  11.027  -5.740  -2.427
  157    HB2  ALA  16           HB2      ALA  16   9.936  -6.760  -1.493
  158    HB3  ALA  16           HB3      ALA  16  11.475  -6.250  -0.801
  159    HA   PRO  17           HA       PRO  17  12.442  -1.512   0.602
  160    HB2  PRO  17           HB2      PRO  17  14.725  -2.966   1.374
  161    HB3  PRO  17           HB1      PRO  17  13.509  -2.309   2.469
  162    HG2  PRO  17           HG2      PRO  17  13.793  -5.073   1.394
  163    HG3  PRO  17           HG1      PRO  17  13.232  -4.541   2.988
  164    HD2  PRO  17           HD2      PRO  17  11.506  -5.408   1.160
  165    HD3  PRO  17           HD1      PRO  17  11.101  -4.028   2.200
  166    H    VAL  18           HN       VAL  18  13.477  -0.482  -0.950
  167    HA   VAL  18           HA       VAL  18  14.383  -1.884  -3.257
  168    HB   VAL  18           HB       VAL  18  14.587   1.069  -2.587
  169   HG11  VAL  18          HG11      VAL  18  16.175   0.380  -4.305
  170   HG12  VAL  18          HG12      VAL  18  14.904   1.391  -4.987
  171   HG13  VAL  18          HG13      VAL  18  14.868  -0.356  -5.230
  172   HG21  VAL  18          HG21      VAL  18  12.549  -0.408  -4.255
  173   HG22  VAL  18          HG22      VAL  18  12.614   1.337  -3.998
  174   HG23  VAL  18          HG23      VAL  18  12.270   0.258  -2.647
  175    H    TRP  19           HN       TRP  19  16.138  -3.004  -2.992
  176    HA   TRP  19           HA       TRP  19  18.682  -1.908  -2.835
  177    HB2  TRP  19           HB2      TRP  19  18.120  -1.740  -0.375
  178    HB3  TRP  19           HB1      TRP  19  17.813  -3.471  -0.371
  179    HD1  TRP  19           HD1      TRP  19  20.635  -0.929  -0.343
  180    HE1  TRP  19           HE1      TRP  19  22.867  -2.145   0.113
  181    HE3  TRP  19           HE3      TRP  19  19.044  -5.762  -0.744
  182    HZ2  TRP  19           HZ2      TRP  19  23.817  -4.789   0.264
  183    HZ3  TRP  19           HZ3      TRP  19  20.673  -7.572  -0.434
  184    HH2  TRP  19           HH2      TRP  19  23.006  -7.090   0.057
  Start of MODEL    9
    1    H2   PRO   1           HT1      PRO   1 -12.920  -3.900  -2.850
    2    H3   PRO   1           HT2      PRO   1 -14.003  -3.886  -1.606
    3    HA   PRO   1           HA       PRO   1 -12.414  -2.951  -0.095
    4    HB2  PRO   1           HB2      PRO   1 -10.631  -1.739  -1.789
    5    HB3  PRO   1           HB1      PRO   1 -10.273  -3.186  -0.836
    6    HG2  PRO   1           HG2      PRO   1 -11.138  -2.986  -3.700
    7    HG3  PRO   1           HG1      PRO   1  -9.909  -4.043  -2.987
    8    HD2  PRO   1           HD2      PRO   1 -12.253  -5.051  -3.604
    9    HD3  PRO   1           HD1      PRO   1 -11.453  -5.481  -2.106
   10    H    MET   2           HN       MET   2 -13.396  -1.044   0.309
   11    HA   MET   2           HA       MET   2 -14.347   0.490  -1.990
   12    HB2  MET   2           HB2      MET   2 -15.114   0.674   0.926
   13    HB3  MET   2           HB1      MET   2 -15.696   1.764  -0.321
   14    HG2  MET   2           HG2      MET   2 -16.728  -0.149  -1.471
   15    HG3  MET   2           HG1      MET   2 -16.198  -1.193  -0.151
   16    HE1  MET   2           HE1      MET   2 -18.693  -2.022   0.183
   17    HE2  MET   2           HE2      MET   2 -19.219  -0.970  -1.132
   18    HE3  MET   2           HE3      MET   2 -20.059  -0.931   0.417
   19    H    LYS   3           HN       LYS   3 -12.545   0.769   1.017
   20    HA   LYS   3           HA       LYS   3 -11.767   3.447   0.371
   21    HB2  LYS   3           HB2      LYS   3 -10.864   1.635   2.621
   22    HB3  LYS   3           HB1      LYS   3 -10.538   3.359   2.484
   23    HG2  LYS   3           HG2      LYS   3 -12.970   3.792   2.574
   24    HG3  LYS   3           HG1      LYS   3 -13.241   2.071   2.821
   25    HD2  LYS   3           HD2      LYS   3 -13.334   3.186   4.946
   26    HD3  LYS   3           HD1      LYS   3 -11.858   2.223   4.894
   27    HE2  LYS   3           HE2      LYS   3 -10.546   4.203   4.388
   28    HE3  LYS   3           HE1      LYS   3 -12.011   5.175   4.292
   29    HZ1  LYS   3           HZ1      LYS   3 -12.383   4.783   6.627
   30    HZ2  LYS   3           HZ2      LYS   3 -10.888   5.482   6.375
   31    HZ3  LYS   3           HZ3      LYS   3 -10.988   3.827   6.740
   32    H    LYS   4           HN       LYS   4 -10.206   3.888  -0.926
   33    HA   LYS   4           HA       LYS   4  -8.667   1.911  -2.234
   34    HB2  LYS   4           HB2      LYS   4  -8.280   4.894  -2.289
   35    HB3  LYS   4           HB1      LYS   4  -7.646   3.744  -3.452
   36    HG2  LYS   4           HG2      LYS   4 -10.547   4.409  -2.981
   37    HG3  LYS   4           HG1      LYS   4  -9.554   4.927  -4.340
   38    HD2  LYS   4           HD2      LYS   4  -9.296   2.562  -5.007
   39    HD3  LYS   4           HD1      LYS   4 -10.355   2.093  -3.673
   40    HE2  LYS   4           HE2      LYS   4 -12.131   3.510  -4.619
   41    HE3  LYS   4           HE1      LYS   4 -11.066   3.901  -5.964
   42    HZ1  LYS   4           HZ1      LYS   4 -11.047   1.574  -6.583
   43    HZ2  LYS   4           HZ2      LYS   4 -12.618   2.169  -6.555
   44    HZ3  LYS   4           HZ3      LYS   4 -12.065   1.190  -5.300
   45    H    LEU   5           HN       LEU   5  -7.989   3.814   0.580
   46    HA   LEU   5           HA       LEU   5  -5.176   3.729   0.321
   47    HB2  LEU   5           HB2      LEU   5  -4.960   4.607   2.484
   48    HB3  LEU   5           HB1      LEU   5  -6.438   5.296   1.871
   49    HG   LEU   5           HG       LEU   5  -6.209   3.065   3.897
   50   HD11  LEU   5          HD11      LEU   5  -5.543   5.217   4.768
   51   HD12  LEU   5          HD12      LEU   5  -7.085   4.710   5.455
   52   HD13  LEU   5          HD13      LEU   5  -7.044   5.935   4.187
   53   HD21  LEU   5          HD21      LEU   5  -8.651   4.499   2.876
   54   HD22  LEU   5          HD22      LEU   5  -8.610   3.341   4.204
   55   HD23  LEU   5          HD23      LEU   5  -8.231   2.815   2.561
   56    H    LYS   6           HN       LYS   6  -7.444   1.346   1.337
   57    HA   LYS   6           HA       LYS   6  -5.655  -0.320   2.774
   58    HB2  LYS   6           HB2      LYS   6  -8.099  -0.648   2.835
   59    HB3  LYS   6           HB1      LYS   6  -8.087  -1.081   1.130
   60    HG2  LYS   6           HG2      LYS   6  -6.686  -3.035   1.642
   61    HG3  LYS   6           HG1      LYS   6  -6.732  -2.608   3.349
   62    HD2  LYS   6           HD2      LYS   6  -9.124  -3.320   1.643
   63    HD3  LYS   6           HD1      LYS   6  -8.332  -4.389   2.799
   64    HE2  LYS   6           HE2      LYS   6  -9.765  -1.804   3.421
   65    HE3  LYS   6           HE1      LYS   6 -10.333  -3.430   3.773
   66    HZ1  LYS   6           HZ1      LYS   6  -7.940  -2.126   4.973
   67    HZ2  LYS   6           HZ2      LYS   6  -8.435  -3.712   5.278
   68    HZ3  LYS   6           HZ3      LYS   6  -9.414  -2.432   5.726
   69    H    LEU   7           HN       LEU   7  -6.487   0.101  -0.581
   70    HA   LEU   7           HA       LEU   7  -5.024  -2.050  -1.668
   71    HB2  LEU   7           HB2      LEU   7  -5.716   0.620  -2.899
   72    HB3  LEU   7           HB1      LEU   7  -5.156  -0.785  -3.778
   73    HG   LEU   7           HG       LEU   7  -7.773  -0.609  -2.284
   74   HD11  LEU   7          HD11      LEU   7  -8.775  -0.553  -4.510
   75   HD12  LEU   7          HD12      LEU   7  -7.169  -0.495  -5.233
   76   HD13  LEU   7          HD13      LEU   7  -7.735   0.844  -4.236
   77   HD21  LEU   7          HD21      LEU   7  -8.287  -2.698  -3.458
   78   HD22  LEU   7          HD22      LEU   7  -6.904  -2.881  -2.380
   79   HD23  LEU   7          HD23      LEU   7  -6.654  -2.725  -4.121
   80    H    ALA   8           HN       ALA   8  -4.300   1.335  -1.064
   81    HA   ALA   8           HA       ALA   8  -1.707   1.458  -2.099
   82    HB1  ALA   8           HB1      ALA   8  -3.005   3.430  -1.456
   83    HB2  ALA   8           HB2      ALA   8  -1.419   3.428  -0.679
   84    HB3  ALA   8           HB3      ALA   8  -2.853   2.976   0.241
   85    H    LEU   9           HN       LEU   9  -2.806   0.670   1.170
   86    HA   LEU   9           HA       LEU   9  -0.261   0.296   2.303
   87    HB2  LEU   9           HB2      LEU   9  -2.886  -0.979   3.059
   88    HB3  LEU   9           HB1      LEU   9  -1.431  -1.017   4.032
   89    HG   LEU   9           HG       LEU   9  -3.009   1.456   3.334
   90   HD11  LEU   9          HD11      LEU   9  -3.591   1.457   5.705
   91   HD12  LEU   9          HD12      LEU   9  -2.735  -0.071   5.914
   92   HD13  LEU   9          HD13      LEU   9  -4.171   0.004   4.892
   93   HD21  LEU   9          HD21      LEU   9  -0.638   1.960   3.577
   94   HD22  LEU   9          HD22      LEU   9  -0.591   1.075   5.099
   95   HD23  LEU   9          HD23      LEU   9  -1.534   2.559   4.974
   96    H    ARG  10           HN       ARG  10  -2.519  -2.013   0.847
   97    HA   ARG  10           HA       ARG  10  -0.765  -4.197   1.346
   98    HB2  ARG  10           HB2      ARG  10  -3.157  -4.097  -0.492
   99    HB3  ARG  10           HB1      ARG  10  -2.304  -5.556  -0.011
  100    HG2  ARG  10           HG2      ARG  10  -3.967  -3.734   1.720
  101    HG3  ARG  10           HG1      ARG  10  -4.259  -5.427   1.329
  102    HD2  ARG  10           HD2      ARG  10  -2.028  -4.319   3.040
  103    HD3  ARG  10           HD1      ARG  10  -3.419  -5.238   3.597
  104    HE   ARG  10           HE       ARG  10  -2.305  -6.937   1.877
  105   HH11  ARG  10          HH11      ARG  10  -0.894  -5.083   4.542
  106   HH12  ARG  10          HH12      ARG  10   0.355  -6.182   4.850
  107   HH21  ARG  10          HH21      ARG  10  -0.562  -8.466   2.284
  108   HH22  ARG  10          HH22      ARG  10   0.534  -8.166   3.546
  109    H    LEU  11           HN       LEU  11  -1.076  -1.970  -1.253
  110    HA   LEU  11           HA       LEU  11   0.395  -3.361  -3.215
  111    HB2  LEU  11           HB2      LEU  11  -0.869  -1.364  -3.780
  112    HB3  LEU  11           HB1      LEU  11   0.094  -0.401  -2.681
  113    HG   LEU  11           HG       LEU  11   2.070  -0.775  -4.136
  114   HD11  LEU  11          HD11      LEU  11   1.758  -1.644  -6.389
  115   HD12  LEU  11          HD12      LEU  11   0.091  -2.060  -5.996
  116   HD13  LEU  11          HD13      LEU  11   1.421  -2.868  -5.166
  117   HD21  LEU  11          HD21      LEU  11   1.351   0.728  -5.932
  118   HD22  LEU  11          HD22      LEU  11   0.740   1.248  -4.361
  119   HD23  LEU  11          HD23      LEU  11  -0.332   0.430  -5.497
  120    H    ALA  12           HN       ALA  12   1.342  -0.924  -0.832
  121    HA   ALA  12           HA       ALA  12   4.107  -1.030  -1.378
  122    HB1  ALA  12           HB1      ALA  12   3.017   0.883  -0.292
  123    HB2  ALA  12           HB2      ALA  12   4.377   0.278   0.652
  124    HB3  ALA  12           HB3      ALA  12   2.726  -0.107   1.139
  125    H    ALA  13           HN       ALA  13   2.081  -3.075   0.407
  126    HA   ALA  13           HA       ALA  13   4.164  -4.203   2.026
  127    HB1  ALA  13           HB1      ALA  13   2.479  -5.796   2.756
  128    HB2  ALA  13           HB2      ALA  13   1.380  -5.225   1.501
  129    HB3  ALA  13           HB3      ALA  13   1.848  -4.151   2.818
  130    H    LYS  14           HN       LYS  14   2.719  -4.919  -1.151
  131    HA   LYS  14           HA       LYS  14   4.047  -7.486  -1.147
  132    HB2  LYS  14           HB2      LYS  14   2.860  -7.901  -3.237
  133    HB3  LYS  14           HB1      LYS  14   1.756  -7.367  -1.977
  134    HG2  LYS  14           HG2      LYS  14   1.713  -5.134  -2.938
  135    HG3  LYS  14           HG1      LYS  14   2.856  -5.646  -4.176
  136    HD2  LYS  14           HD2      LYS  14   0.704  -5.696  -5.177
  137    HD3  LYS  14           HD1      LYS  14   1.233  -7.351  -4.840
  138    HE2  LYS  14           HE2      LYS  14  -0.209  -7.516  -2.936
  139    HE3  LYS  14           HE1      LYS  14  -0.625  -5.806  -3.038
  140    HZ1  LYS  14           HZ1      LYS  14  -1.346  -7.903  -5.028
  141    HZ2  LYS  14           HZ2      LYS  14  -1.637  -6.269  -5.201
  142    HZ3  LYS  14           HZ3      LYS  14  -2.418  -7.103  -3.992
  143    H    ILE  15           HN       ILE  15   4.364  -4.283  -2.574
  144    HA   ILE  15           HA       ILE  15   6.953  -4.993  -3.597
  145    HB   ILE  15           HB       ILE  15   5.284  -5.590  -5.422
  146   HG12  ILE  15          HG12      ILE  15   6.408  -4.326  -7.278
  147   HG13  ILE  15          HG11      ILE  15   7.202  -3.334  -6.062
  148   HG21  ILE  15          HG21      ILE  15   3.605  -3.903  -4.986
  149   HG22  ILE  15          HG22      ILE  15   4.152  -3.826  -6.659
  150   HG23  ILE  15          HG23      ILE  15   4.726  -2.637  -5.489
  151   HD11  ILE  15          HD11      ILE  15   7.513  -6.311  -6.393
  152   HD12  ILE  15          HD12      ILE  15   8.331  -5.318  -5.187
  153   HD13  ILE  15          HD13      ILE  15   8.670  -5.082  -6.900
  154    H    ALA  16           HN       ALA  16   8.000  -2.873  -4.373
  155    HA   ALA  16           HA       ALA  16   7.237  -0.765  -2.595
  156    HB1  ALA  16           HB1      ALA  16   9.210   0.394  -3.499
  157    HB2  ALA  16           HB2      ALA  16   9.394  -0.878  -4.707
  158    HB3  ALA  16           HB3      ALA  16   9.605  -1.250  -2.997
  159    HA   PRO  17           HA       PRO  17   4.639   1.370  -5.576
  160    HB2  PRO  17           HB2      PRO  17   5.557   3.826  -4.177
  161    HB3  PRO  17           HB1      PRO  17   3.906   3.254  -4.447
  162    HG2  PRO  17           HG2      PRO  17   5.020   3.116  -2.028
  163    HG3  PRO  17           HG1      PRO  17   3.966   1.821  -2.626
  164    HD2  PRO  17           HD2      PRO  17   6.951   1.908  -2.447
  165    HD3  PRO  17           HD1      PRO  17   5.828   0.570  -2.106
  166    H    VAL  18           HN       VAL  18   5.457   1.556  -7.537
  167    HA   VAL  18           HA       VAL  18   8.144   2.558  -7.956
  168    HB   VAL  18           HB       VAL  18   7.887   1.817 -10.286
  169   HG11  VAL  18          HG11      VAL  18   7.030  -0.225  -8.240
  170   HG12  VAL  18          HG12      VAL  18   8.687   0.230  -8.637
  171   HG13  VAL  18          HG13      VAL  18   7.688  -0.597  -9.833
  172   HG21  VAL  18          HG21      VAL  18   5.507   2.266 -10.600
  173   HG22  VAL  18          HG22      VAL  18   5.096   0.994  -9.455
  174   HG23  VAL  18          HG23      VAL  18   5.866   0.583 -10.986
  175    H    TRP  19           HN       TRP  19   5.234   3.972  -7.765
  176    HA   TRP  19           HA       TRP  19   6.132   6.195  -9.420
  177    HB2  TRP  19           HB2      TRP  19   4.278   4.985 -10.558
  178    HB3  TRP  19           HB1      TRP  19   3.282   5.179  -9.127
  179    HD1  TRP  19           HD1      TRP  19   5.123   7.556 -11.606
  180    HE1  TRP  19           HE1      TRP  19   3.570   9.560 -12.065
  181    HE3  TRP  19           HE3      TRP  19   1.217   6.263  -8.581
  182    HZ2  TRP  19           HZ2      TRP  19   1.013  10.461 -11.251
  183    HZ3  TRP  19           HZ3      TRP  19  -0.745   7.737  -8.483
  184    HH2  TRP  19           HH2      TRP  19  -0.843   9.793  -9.797
  Start of MODEL   10
    1    H2   PRO   1           HT1      PRO   1 -11.638   2.394  -5.027
    2    H3   PRO   1           HT2      PRO   1 -13.265   2.624  -5.199
    3    HA   PRO   1           HA       PRO   1 -13.793   1.152  -3.416
    4    HB2  PRO   1           HB2      PRO   1 -11.440   1.438  -1.939
    5    HB3  PRO   1           HB1      PRO   1 -12.046  -0.069  -2.638
    6    HG2  PRO   1           HG2      PRO   1 -10.015   1.827  -3.713
    7    HG3  PRO   1           HG1      PRO   1 -10.080   0.060  -3.828
    8    HD2  PRO   1           HD2      PRO   1 -10.679   1.509  -5.946
    9    HD3  PRO   1           HD1      PRO   1 -11.609   0.072  -5.520
   10    H    MET   2           HN       MET   2 -13.814   2.223  -1.234
   11    HA   MET   2           HA       MET   2 -13.864   5.080  -1.570
   12    HB2  MET   2           HB2      MET   2 -14.554   3.308   0.787
   13    HB3  MET   2           HB1      MET   2 -14.692   5.056   0.813
   14    HG2  MET   2           HG2      MET   2 -16.849   4.089   0.449
   15    HG3  MET   2           HG1      MET   2 -16.338   4.921  -1.016
   16    HE1  MET   2           HE1      MET   2 -18.213   3.733  -2.413
   17    HE2  MET   2           HE2      MET   2 -18.751   2.986  -0.911
   18    HE3  MET   2           HE3      MET   2 -18.523   1.998  -2.352
   19    H    LYS   3           HN       LYS   3 -12.385   2.864   0.782
   20    HA   LYS   3           HA       LYS   3 -10.367   4.839   1.316
   21    HB2  LYS   3           HB2      LYS   3 -10.638   2.017   2.398
   22    HB3  LYS   3           HB1      LYS   3  -9.492   3.218   2.955
   23    HG2  LYS   3           HG2      LYS   3 -12.492   3.377   3.218
   24    HG3  LYS   3           HG1      LYS   3 -11.353   2.977   4.502
   25    HD2  LYS   3           HD2      LYS   3 -10.330   5.226   4.203
   26    HD3  LYS   3           HD1      LYS   3 -11.586   5.586   3.018
   27    HE2  LYS   3           HE2      LYS   3 -13.304   5.207   4.726
   28    HE3  LYS   3           HE1      LYS   3 -12.035   4.870   5.899
   29    HZ1  LYS   3           HZ1      LYS   3 -12.810   7.130   6.117
   30    HZ2  LYS   3           HZ2      LYS   3 -12.480   7.450   4.511
   31    HZ3  LYS   3           HZ3      LYS   3 -11.214   7.134   5.582
   32    H    LYS   4           HN       LYS   4  -9.183   4.964  -0.553
   33    HA   LYS   4           HA       LYS   4  -8.406   2.635  -2.019
   34    HB2  LYS   4           HB2      LYS   4  -7.099   3.997  -3.478
   35    HB3  LYS   4           HB1      LYS   4  -8.502   4.960  -3.069
   36    HG2  LYS   4           HG2      LYS   4  -5.853   5.275  -1.664
   37    HG3  LYS   4           HG1      LYS   4  -6.239   6.132  -3.148
   38    HD2  LYS   4           HD2      LYS   4  -7.933   6.285  -0.670
   39    HD3  LYS   4           HD1      LYS   4  -6.595   7.394  -0.972
   40    HE2  LYS   4           HE2      LYS   4  -9.004   7.001  -2.759
   41    HE3  LYS   4           HE1      LYS   4  -8.767   8.330  -1.629
   42    HZ1  LYS   4           HZ1      LYS   4  -8.169   9.023  -3.847
   43    HZ2  LYS   4           HZ2      LYS   4  -7.093   7.755  -4.026
   44    HZ3  LYS   4           HZ3      LYS   4  -6.764   8.968  -2.931
   45    H    LEU   5           HN       LEU   5  -7.125   4.318   0.669
   46    HA   LEU   5           HA       LEU   5  -4.449   3.502   0.487
   47    HB2  LEU   5           HB2      LEU   5  -6.067   4.240   2.914
   48    HB3  LEU   5           HB1      LEU   5  -4.331   4.024   2.905
   49    HG   LEU   5           HG       LEU   5  -5.863   6.152   1.410
   50   HD11  LEU   5          HD11      LEU   5  -4.027   6.324   3.785
   51   HD12  LEU   5          HD12      LEU   5  -5.778   6.531   3.801
   52   HD13  LEU   5          HD13      LEU   5  -4.761   7.688   2.944
   53   HD21  LEU   5          HD21      LEU   5  -2.891   5.632   1.566
   54   HD22  LEU   5          HD22      LEU   5  -3.638   7.067   0.869
   55   HD23  LEU   5          HD23      LEU   5  -3.903   5.493   0.128
   56    H    LYS   6           HN       LYS   6  -7.280   1.829   1.469
   57    HA   LYS   6           HA       LYS   6  -6.052  -0.175   3.049
   58    HB2  LYS   6           HB2      LYS   6  -8.469   0.219   3.111
   59    HB3  LYS   6           HB1      LYS   6  -8.612  -0.247   1.428
   60    HG2  LYS   6           HG2      LYS   6  -9.384  -2.042   2.841
   61    HG3  LYS   6           HG1      LYS   6  -7.899  -2.533   2.027
   62    HD2  LYS   6           HD2      LYS   6  -6.620  -2.036   4.056
   63    HD3  LYS   6           HD1      LYS   6  -8.093  -1.520   4.872
   64    HE2  LYS   6           HE2      LYS   6  -7.469  -4.285   3.839
   65    HE3  LYS   6           HE1      LYS   6  -7.513  -3.782   5.524
   66    HZ1  LYS   6           HZ1      LYS   6  -9.896  -3.291   5.239
   67    HZ2  LYS   6           HZ2      LYS   6  -9.550  -4.906   4.976
   68    HZ3  LYS   6           HZ3      LYS   6  -9.842  -3.896   3.665
   69    H    LEU   7           HN       LEU   7  -6.646   0.181  -0.386
   70    HA   LEU   7           HA       LEU   7  -5.589  -2.452  -0.941
   71    HB2  LEU   7           HB2      LEU   7  -6.584  -0.288  -2.805
   72    HB3  LEU   7           HB1      LEU   7  -5.975  -1.836  -3.344
   73    HG   LEU   7           HG       LEU   7  -7.852  -2.904  -2.017
   74   HD11  LEU   7          HD11      LEU   7  -8.447  -1.104  -0.557
   75   HD12  LEU   7          HD12      LEU   7  -9.833  -1.546  -1.557
   76   HD13  LEU   7          HD13      LEU   7  -8.903  -0.093  -1.925
   77   HD21  LEU   7          HD21      LEU   7  -8.500  -1.135  -4.363
   78   HD22  LEU   7          HD22      LEU   7  -9.552  -2.407  -3.750
   79   HD23  LEU   7          HD23      LEU   7  -7.967  -2.819  -4.398
   80    H    ALA   8           HN       ALA   8  -4.680   0.900  -1.227
   81    HA   ALA   8           HA       ALA   8  -2.286   0.540  -2.638
   82    HB1  ALA   8           HB1      ALA   8  -1.720   2.777  -1.930
   83    HB2  ALA   8           HB2      ALA   8  -2.909   2.704  -0.638
   84    HB3  ALA   8           HB3      ALA   8  -3.440   2.717  -2.322
   85    H    LEU   9           HN       LEU   9  -3.060   0.250   0.775
   86    HA   LEU   9           HA       LEU   9  -0.398   0.130   1.706
   87    HB2  LEU   9           HB2      LEU   9  -2.357   0.581   3.154
   88    HB3  LEU   9           HB1      LEU   9  -2.896  -1.065   2.915
   89    HG   LEU   9           HG       LEU   9  -0.862  -1.876   4.056
   90   HD11  LEU   9          HD11      LEU   9   0.634  -0.025   3.584
   91   HD12  LEU   9          HD12      LEU   9   0.518  -0.299   5.321
   92   HD13  LEU   9          HD13      LEU   9  -0.349   1.046   4.581
   93   HD21  LEU   9          HD21      LEU   9  -2.507   0.101   5.630
   94   HD22  LEU   9          HD22      LEU   9  -1.534  -1.203   6.311
   95   HD23  LEU   9          HD23      LEU   9  -2.931  -1.581   5.304
   96    H    ARG  10           HN       ARG  10  -2.533  -2.177   0.251
   97    HA   ARG  10           HA       ARG  10  -1.069  -4.511   0.996
   98    HB2  ARG  10           HB2      ARG  10  -2.839  -4.122  -1.413
   99    HB3  ARG  10           HB1      ARG  10  -2.321  -5.665  -0.750
  100    HG2  ARG  10           HG2      ARG  10  -3.558  -5.117   1.329
  101    HG3  ARG  10           HG1      ARG  10  -4.159  -3.663   0.535
  102    HD2  ARG  10           HD2      ARG  10  -4.646  -6.522  -0.275
  103    HD3  ARG  10           HD1      ARG  10  -5.825  -5.372   0.348
  104    HE   ARG  10           HE       ARG  10  -4.504  -4.542  -2.052
  105   HH11  ARG  10          HH11      ARG  10  -7.279  -6.334  -0.764
  106   HH12  ARG  10          HH12      ARG  10  -8.205  -6.206  -2.184
  107   HH21  ARG  10          HH21      ARG  10  -5.771  -4.414  -4.039
  108   HH22  ARG  10          HH22      ARG  10  -7.309  -5.122  -4.108
  109    H    LEU  11           HN       LEU  11  -1.080  -2.327  -1.744
  110    HA   LEU  11           HA       LEU  11   0.894  -3.634  -3.276
  111    HB2  LEU  11           HB2      LEU  11  -0.589  -1.876  -4.182
  112    HB3  LEU  11           HB1      LEU  11   0.193  -0.698  -3.157
  113    HG   LEU  11           HG       LEU  11   2.306  -1.028  -4.389
  114   HD11  LEU  11          HD11      LEU  11   0.666  -2.823  -6.171
  115   HD12  LEU  11          HD12      LEU  11   2.005  -3.316  -5.133
  116   HD13  LEU  11          HD13      LEU  11   2.301  -2.254  -6.506
  117   HD21  LEU  11          HD21      LEU  11   1.608   0.093  -6.452
  118   HD22  LEU  11          HD22      LEU  11   0.785   0.759  -5.042
  119   HD23  LEU  11          HD23      LEU  11  -0.067  -0.347  -6.122
  120    H    ALA  12           HN       ALA  12   1.043  -1.057  -0.878
  121    HA   ALA  12           HA       ALA  12   3.837  -0.662  -0.955
  122    HB1  ALA  12           HB1      ALA  12   3.547   0.578   1.118
  123    HB2  ALA  12           HB2      ALA  12   1.931  -0.102   1.316
  124    HB3  ALA  12           HB3      ALA  12   2.272   0.986  -0.030
  125    H    ALA  13           HN       ALA  13   1.947  -3.130   0.463
  126    HA   ALA  13           HA       ALA  13   3.959  -3.983   2.342
  127    HB1  ALA  13           HB1      ALA  13   2.490  -5.920   2.687
  128    HB2  ALA  13           HB2      ALA  13   1.494  -5.406   1.329
  129    HB3  ALA  13           HB3      ALA  13   1.577  -4.412   2.781
  130    H    LYS  14           HN       LYS  14   2.796  -4.854  -0.849
  131    HA   LYS  14           HA       LYS  14   4.505  -7.099  -1.182
  132    HB2  LYS  14           HB2      LYS  14   2.960  -5.465  -3.197
  133    HB3  LYS  14           HB1      LYS  14   3.808  -6.958  -3.568
  134    HG2  LYS  14           HG2      LYS  14   1.503  -6.666  -1.650
  135    HG3  LYS  14           HG1      LYS  14   1.428  -7.354  -3.276
  136    HD2  LYS  14           HD2      LYS  14   3.030  -9.087  -2.591
  137    HD3  LYS  14           HD1      LYS  14   3.050  -8.410  -0.969
  138    HE2  LYS  14           HE2      LYS  14   0.691  -8.887  -0.701
  139    HE3  LYS  14           HE1      LYS  14   0.622  -9.523  -2.345
  140    HZ1  LYS  14           HZ1      LYS  14   0.840 -11.289  -0.685
  141    HZ2  LYS  14           HZ2      LYS  14   2.302 -10.632  -0.165
  142    HZ3  LYS  14           HZ3      LYS  14   2.181 -11.260  -1.698
  143    H    ILE  15           HN       ILE  15   4.728  -3.708  -2.029
  144    HA   ILE  15           HA       ILE  15   7.235  -4.123  -3.369
  145    HB   ILE  15           HB       ILE  15   5.958  -1.515  -2.464
  146   HG12  ILE  15          HG12      ILE  15   4.552  -2.644  -4.120
  147   HG13  ILE  15          HG11      ILE  15   5.297  -1.220  -4.829
  148   HG21  ILE  15          HG21      ILE  15   7.499  -0.413  -4.036
  149   HG22  ILE  15          HG22      ILE  15   8.251  -1.970  -4.379
  150   HG23  ILE  15          HG23      ILE  15   8.367  -1.274  -2.762
  151   HD11  ILE  15          HD11      ILE  15   5.286  -3.067  -6.395
  152   HD12  ILE  15          HD12      ILE  15   6.154  -4.082  -5.247
  153   HD13  ILE  15          HD13      ILE  15   6.944  -2.667  -5.947
  154    H    ALA  16           HN       ALA  16   8.582  -5.037  -1.995
  155    HA   ALA  16           HA       ALA  16   9.000  -3.948   0.648
  156    HB1  ALA  16           HB1      ALA  16  10.440  -6.202  -0.760
  157    HB2  ALA  16           HB2      ALA  16   9.021  -6.399   0.265
  158    HB3  ALA  16           HB3      ALA  16  10.534  -5.812   0.956
  159    HA   PRO  17           HA       PRO  17  12.435  -1.281  -0.305
  160    HB2  PRO  17           HB2      PRO  17  13.880  -2.642   1.921
  161    HB3  PRO  17           HB1      PRO  17  13.574  -0.915   1.687
  162    HG2  PRO  17           HG2      PRO  17  12.211  -2.257   3.506
  163    HG3  PRO  17           HG1      PRO  17  11.379  -1.084   2.469
  164    HD2  PRO  17           HD2      PRO  17  11.427  -4.071   2.282
  165    HD3  PRO  17           HD1      PRO  17  10.067  -2.946   2.076
  166    H    VAL  18           HN       VAL  18  12.849  -4.678   0.016
  167    HA   VAL  18           HA       VAL  18  15.373  -4.635  -1.436
  168    HB   VAL  18           HB       VAL  18  15.506  -7.064  -0.940
  169   HG11  VAL  18          HG11      VAL  18  15.916  -6.849   1.455
  170   HG12  VAL  18          HG12      VAL  18  15.013  -5.335   1.474
  171   HG13  VAL  18          HG13      VAL  18  16.523  -5.448   0.570
  172   HG21  VAL  18          HG21      VAL  18  13.099  -7.562  -0.802
  173   HG22  VAL  18          HG22      VAL  18  12.987  -6.606   0.676
  174   HG23  VAL  18          HG23      VAL  18  13.944  -8.088   0.654
  175    H    TRP  19           HN       TRP  19  15.645  -5.780  -3.358
  176    HA   TRP  19           HA       TRP  19  15.191  -6.310  -5.443
  177    HB2  TRP  19           HB2      TRP  19  12.709  -7.645  -4.306
  178    HB3  TRP  19           HB1      TRP  19  13.443  -7.942  -5.881
  179    HD1  TRP  19           HD1      TRP  19  13.526  -9.103  -2.353
  180    HE1  TRP  19           HE1      TRP  19  15.409 -10.837  -2.023
  181    HE3  TRP  19           HE3      TRP  19  15.998  -8.461  -6.775
  182    HZ2  TRP  19           HZ2      TRP  19  17.643 -11.794  -3.452
  183    HZ3  TRP  19           HZ3      TRP  19  17.999  -9.822  -7.212
  184    HH2  TRP  19           HH2      TRP  19  18.799 -11.450  -5.583