*HEADER    HYDROLASE INHIBITOR                     23-DEC-13   2MJ1              
*TITLE     NMR STRUCTURE OF THE SOLUBLE A 17-34 PEPTIDE                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: AMYLOID BETA A4 PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 688-705;                                      
*COMPND   5 SYNONYM: ABPP, APPI, APP, ALZHEIMER DISEASE AMYLOID PROTEIN, CEREBRAL
*COMPND   6 VASCULAR AMYLOID PEPTIDE, CVAP, PREA4, PROTEASE NEXIN-II, PN-II, C83;
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    AMYLOID, ALZHEIMER, HYDROLASE INHIBITOR                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    11                                                                    
*AUTHOR    G.FONAR, A.O.SAMSON                                                   
*REVDAT   1   05-NOV-14 2MJ1    0                                                


assi (resid 20 and name HN) (resid 16 and name HA)  4 0.4 0.4
assi (resid 19 and name NN) (resid 15 and name HA)  4 0.4 0.4
assi (resid 18 and name HN) (resid 14 and name HA)  4 0.4 0.4
assi (resid 16 and name HN) (resid 12 and name HA)  4 0.4 0.4
assi (resid 15 and name HN) (resid 11 and name HA)  4 0.4 0.4
assi (resid 14 and name HN) (resid 10 and name HA)  4 0.4 0.4
assi (resid 11 and name HN) (resid  7 and name HA)  4 0.4 0.4
assi (resid 8 and name HN)  (resid  4 and name HA)  4 0.4 0.4
assi (resid 7 and name HN)  (resid  3 and name HA)  4 0.4 0.4
assi (resid 18 and name HN) (resid 17 and name HA)  3.5 0.4 0.5
assi (resid 17 and name HN) (resid 16 and name HA)  3.5 0.4 0.5
assi (resid 16 and name HN) (resid 15 and name HA)  3.5 0.4 0.5
assi (resid 15 and name HN) (resid  14 and name HA)  3.5 0.4 0.5
assi (resid 14 and name HN) (resid  13 and name HA)  3.5 1 0.5
assi (resid 13 and name HN)  (resid  12 and name HA)  3.5 0.4 0.5
assi (resid 12 and name HN)  (resid  11 and name HA)  3.5 1.5 0.5
assi (resid 10 and name NN) (resid 9 and name HA)  3.5 0.4 0.5
assi (resid 9 and name HN) (resid 8 and name HA)  3.5 0.4 0.5
assi (resid 8 and name HN) (resid 7 and name HA)  3.5 0.4 0.5
assi (resid 7 and name HN) (resid 6 and name HA)  3.5 0.4 0.5
assi (resid 6 and name HN) (resid 5 and name HA)  3.5 0.4 0.5
assi (resid 5 and name HN) (resid  4 and name HA)  3.5 0.4 0.5
assi (resid 4 and name HN)  (resid  3 and name HA)  3.5 0.4 0.5
assi (resid 3 and name HN)  (resid  2 and name HA)  3.5 0.4 0.5

assign (resid  3 and name C)(resid 4 and name N)(resid  4 and name CA)(resid 4 and name C) 1.00  -60.00   10.00   2
assign (resid  4 and name C)(resid 5 and name N)(resid  5 and name CA)(resid 5 and name C) 1.00  -60.00   10.00   2
assign (resid  6 and name C)(resid 7 and name N)(resid  7 and name CA)(resid 7 and name C) 1.00  -60.00   10.00   2
assign (resid  8 and name C)(resid 9 and name N)(resid  9 and name CA)(resid 9 and name C) 1.00  -60.00   10.00   2
assign (resid  16 and name C)(resid 17 and name N)(resid  17 and name CA)(resid 17 and name C) 1.00  -60.00   10.00   2

assign (resid 20 and name HN) (resid 16 and name O)  1.2 0.5 0.5
assign (resid 19 and name NN) (resid 15 and name O)  1.2 0.5 0.5
assign (resid 18 and name HN) (resid 14 and name O)  1.2 0.5 0.5
assign (resid 16 and name HN) (resid 12 and name O)  1.2 0.5 0.5
assign (resid 15 and name HN) (resid 11 and name O)  1.2 0.5 0.5
assign (resid 14 and name HN) (resid 10 and name O)  1.2 0.5 0.5
assign (resid 11 and name HN) (resid  7 and name O)  1.2 0.5 0.5
assign (resid 8 and name HN)  (resid  4 and name O)  1.2 0.5 0.5
assign (resid 7 and name HN)  (resid  3 and name O)  1.2 0.5 0.5
assign (resid 20 and name N) (resid 16 and name O)  2.0 0.5 0.5
assign (resid 19 and name N) (resid 15 and name O)  2.0 0.5 0.5  
assign (resid 18 and name N) (resid 14 and name O)  2.0 0.5 0.5
assign (resid 16 and name N) (resid 12 and name O)  2.0 0.5 0.5
assign (resid 15 and name N) (resid 11 and name O)  2.0 0.5 0.5
assign (resid 14 and name N) (resid 10 and name O)  2.0 0.5 0.5
assign (resid 11 and name N) (resid  7 and name O)  2.0 0.5 0.5
assign (resid 8 and name N)  (resid  4 and name O)  2.0 0.5 0.5
assign (resid 7 and name N)  (resid  3 and name O)  2.0 0.5 0.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           HT1      LEU   1 -12.125   3.153   0.421
    2    H2   LEU   1           HT2      LEU   1 -13.318   3.365  -0.760
    3    H3   LEU   1           HT3      LEU   1 -12.034   2.299  -1.037
    4    HA   LEU   1           HA       LEU   1 -14.117   1.985   1.044
    5    HB2  LEU   1           HB2      LEU   1 -14.689   1.665  -1.470
    6    HB3  LEU   1           HB1      LEU   1 -13.722   0.210  -1.350
    7    HG   LEU   1           HG       LEU   1 -15.336  -0.310   0.679
    8   HD11  LEU   1          HD11      LEU   1 -17.012   1.511  -1.045
    9   HD12  LEU   1          HD12      LEU   1 -16.515   1.821   0.618
   10   HD13  LEU   1          HD13      LEU   1 -17.610   0.485   0.260
   11   HD21  LEU   1          HD21      LEU   1 -15.086  -1.695  -1.300
   12   HD22  LEU   1          HD22      LEU   1 -16.126  -0.604  -2.216
   13   HD23  LEU   1          HD23      LEU   1 -16.789  -1.532  -0.871
   14    H    VAL   2           HN       VAL   2 -11.285   0.620  -0.607
   15    HA   VAL   2           HA       VAL   2 -10.890  -1.189   1.689
   16    HB   VAL   2           HB       VAL   2  -9.390  -1.720  -0.841
   17   HG11  VAL   2          HG11      VAL   2  -9.100  -3.106   1.167
   18   HG12  VAL   2          HG12      VAL   2  -9.723  -4.037  -0.195
   19   HG13  VAL   2          HG13      VAL   2 -10.808  -3.540   1.103
   20   HG21  VAL   2          HG21      VAL   2 -12.324  -2.393  -0.577
   21   HG22  VAL   2          HG22      VAL   2 -11.241  -2.989  -1.834
   22   HG23  VAL   2          HG23      VAL   2 -11.615  -1.269  -1.737
   23    H    PHE   3           HN       PHE   3  -8.081  -1.762   0.816
   24    HA   PHE   3           HA       PHE   3  -6.801   0.828   1.371
   25    HB2  PHE   3           HB2      PHE   3  -6.285  -1.796   2.773
   26    HB3  PHE   3           HB1      PHE   3  -5.174  -0.434   2.845
   27    HD1  PHE   3           HD2      PHE   3  -8.416  -1.734   3.916
   28    HD2  PHE   3           HD1      PHE   3  -5.726   1.559   4.099
   29    HE1  PHE   3           HE2      PHE   3  -9.688  -0.805   5.806
   30    HE2  PHE   3           HE1      PHE   3  -6.992   2.493   5.990
   31    HZ   PHE   3           HZ       PHE   3  -8.976   1.311   6.846
   32    H    PHE   4           HN       PHE   4  -6.822  -2.149  -0.338
   33    HA   PHE   4           HA       PHE   4  -4.138  -2.414  -1.113
   34    HB2  PHE   4           HB2      PHE   4  -6.209  -3.996  -1.420
   35    HB3  PHE   4           HB1      PHE   4  -6.377  -3.166  -2.962
   36    HD1  PHE   4           HD2      PHE   4  -4.180  -5.331  -0.942
   37    HD2  PHE   4           HD1      PHE   4  -4.911  -3.621  -4.771
   38    HE1  PHE   4           HE2      PHE   4  -2.515  -6.847  -1.933
   39    HE2  PHE   4           HE1      PHE   4  -3.249  -5.136  -5.768
   40    HZ   PHE   4           HZ       PHE   4  -2.048  -6.751  -4.349
   41    H    ALA   5           HN       ALA   5  -6.835  -0.738  -2.738
   42    HA   ALA   5           HA       ALA   5  -5.490   0.140  -5.031
   43    HB1  ALA   5           HB1      ALA   5  -7.782   1.486  -3.609
   44    HB2  ALA   5           HB2      ALA   5  -7.925   0.174  -4.779
   45    HB3  ALA   5           HB3      ALA   5  -7.298   1.743  -5.286
   46    H    GLU   6           HN       GLU   6  -5.462   1.387  -1.784
   47    HA   GLU   6           HA       GLU   6  -4.113   3.855  -2.562
   48    HB2  GLU   6           HB2      GLU   6  -5.129   2.803   0.078
   49    HB3  GLU   6           HB1      GLU   6  -4.135   4.248  -0.035
   50    HG2  GLU   6           HG2      GLU   6  -5.814   5.301  -1.457
   51    HG3  GLU   6           HG1      GLU   6  -6.809   3.849  -1.359
   52    H    ASP   7           HN       ASP   7  -3.501   0.814  -0.879
   53    HA   ASP   7           HA       ASP   7  -0.844   1.411  -0.054
   54    HB2  ASP   7           HB2      ASP   7  -2.479  -1.091  -0.214
   55    HB3  ASP   7           HB1      ASP   7  -0.753  -1.192   0.117
   56    H    VAL   8           HN       VAL   8  -2.196   0.098  -3.027
   57    HA   VAL   8           HA       VAL   8   0.123  -1.114  -4.074
   58    HB   VAL   8           HB       VAL   8  -0.919  -0.717  -6.357
   59   HG11  VAL   8          HG11      VAL   8  -1.181  -2.793  -5.148
   60   HG12  VAL   8          HG12      VAL   8  -2.677  -2.381  -5.987
   61   HG13  VAL   8          HG13      VAL   8  -2.542  -2.124  -4.247
   62   HG21  VAL   8          HG21      VAL   8  -3.306  -0.079  -6.390
   63   HG22  VAL   8          HG22      VAL   8  -2.259   1.253  -5.900
   64   HG23  VAL   8          HG23      VAL   8  -3.191   0.373  -4.689
   65    H    GLY   9           HN       GLY   9  -0.684   2.238  -3.803
   66    HA2  GLY   9           HA2      GLY   9   0.973   3.264  -5.885
   67    HA3  GLY   9           HA1      GLY   9   0.331   4.174  -4.529
   68    H    SER  10           HN       SER  10   1.672   2.130  -2.697
   69    HA   SER  10           HA       SER  10   4.435   3.113  -2.951
   70    HB2  SER  10           HB2      SER  10   2.773   2.817  -0.434
   71    HB3  SER  10           HB1      SER  10   4.500   3.162  -0.436
   72    HG   SER  10           HG       SER  10   3.548   4.932  -2.028
   73    H    ASN  11           HN       ASN  11   2.377   0.638  -1.439
   74    HA   ASN  11           HA       ASN  11   2.713  -1.506  -0.774
   75    HB2  ASN  11           HB2      ASN  11   2.693  -1.383  -3.430
   76    HB3  ASN  11           HB1      ASN  11   4.321  -2.021  -3.235
   77   HD21  ASN  11          HD21      ASN  11   4.602  -4.116  -2.678
   78   HD22  ASN  11          HD22      ASN  11   3.310  -5.243  -2.468
   79    H    LYS  12           HN       LYS  12   4.578  -3.451  -1.061
   80    HA   LYS  12           HA       LYS  12   6.365  -3.123   0.981
   81    HB2  LYS  12           HB2      LYS  12   6.362  -4.934  -1.404
   82    HB3  LYS  12           HB1      LYS  12   7.722  -4.960  -0.292
   83    HG2  LYS  12           HG2      LYS  12   6.399  -6.644   0.545
   84    HG3  LYS  12           HG1      LYS  12   5.883  -5.276   1.529
   85    HD2  LYS  12           HD2      LYS  12   3.957  -4.945   0.038
   86    HD3  LYS  12           HD1      LYS  12   4.475  -6.327  -0.928
   87    HE2  LYS  12           HE2      LYS  12   3.865  -6.523   2.013
   88    HE3  LYS  12           HE1      LYS  12   2.641  -6.760   0.766
   89    HZ1  LYS  12           HZ1      LYS  12   3.963  -8.575  -0.133
   90    HZ2  LYS  12           HZ2      LYS  12   3.582  -8.861   1.490
   91    HZ3  LYS  12           HZ3      LYS  12   5.136  -8.346   1.065
   92    H    GLY  13           HN       GLY  13   6.963  -2.600  -2.466
   93    HA2  GLY  13           HA2      GLY  13   9.666  -2.051  -2.515
   94    HA3  GLY  13           HA1      GLY  13   8.496  -1.364  -3.625
   95    H    ALA  14           HN       ALA  14   7.033   0.338  -1.953
   96    HA   ALA  14           HA       ALA  14   9.056   2.378  -1.470
   97    HB1  ALA  14           HB1      ALA  14   6.094   2.432  -1.735
   98    HB2  ALA  14           HB2      ALA  14   7.316   3.306  -2.656
   99    HB3  ALA  14           HB3      ALA  14   6.939   3.792  -1.002
  100    H    ILE  15           HN       ILE  15   6.600   0.557   0.418
  101    HA   ILE  15           HA       ILE  15   7.035   2.046   2.803
  102    HB   ILE  15           HB       ILE  15   5.873   0.310   4.054
  103   HG12  ILE  15          HG12      ILE  15   5.226  -1.318   1.668
  104   HG13  ILE  15          HG11      ILE  15   6.856  -1.509   2.309
  105   HG21  ILE  15          HG21      ILE  15   4.562   1.975   2.892
  106   HG22  ILE  15          HG22      ILE  15   3.717   0.427   2.884
  107   HG23  ILE  15          HG23      ILE  15   4.548   0.985   1.432
  108   HD11  ILE  15          HD11      ILE  15   4.298  -1.893   3.851
  109   HD12  ILE  15          HD12      ILE  15   5.929  -2.089   4.491
  110   HD13  ILE  15          HD13      ILE  15   5.341  -3.171   3.228
  111    H    ILE  16           HN       ILE  16   8.841  -0.609   1.389
  112    HA   ILE  16           HA       ILE  16  10.245  -1.177   3.856
  113    HB   ILE  16           HB       ILE  16   9.829  -2.891   1.995
  114   HG12  ILE  16          HG12      ILE  16  12.302  -3.806   2.312
  115   HG13  ILE  16          HG11      ILE  16  12.378  -2.500   3.490
  116   HG21  ILE  16          HG21      ILE  16  10.605  -1.641   0.070
  117   HG22  ILE  16          HG22      ILE  16  11.545  -3.121   0.263
  118   HG23  ILE  16          HG23      ILE  16  12.233  -1.571   0.745
  119   HD11  ILE  16          HD11      ILE  16  10.445  -3.440   4.650
  120   HD12  ILE  16          HD12      ILE  16  11.769  -4.599   4.541
  121   HD13  ILE  16          HD13      ILE  16  10.375  -4.748   3.470
  122    H    GLY  17           HN       GLY  17  10.894   0.585   0.857
  123    HA2  GLY  17           HA2      GLY  17  13.547   1.404   1.512
  124    HA3  GLY  17           HA1      GLY  17  12.532   2.078   0.248
  125    H    LEU  18           HN       LEU  18  10.376   2.978   1.785
  126    HA   LEU  18           HA       LEU  18  11.627   5.224   3.205
  127    HB2  LEU  18           HB2      LEU  18   8.912   4.954   1.911
  128    HB3  LEU  18           HB1      LEU  18   9.397   6.339   2.868
  129    HG   LEU  18           HG       LEU  18  11.083   5.563   0.526
  130   HD11  LEU  18          HD11      LEU  18   8.823   5.505  -0.365
  131   HD12  LEU  18          HD12      LEU  18   9.681   6.932  -0.946
  132   HD13  LEU  18          HD13      LEU  18   8.487   7.085   0.342
  133   HD21  LEU  18          HD21      LEU  18  10.305   8.210   1.752
  134   HD22  LEU  18          HD22      LEU  18  11.431   7.983   0.414
  135   HD23  LEU  18          HD23      LEU  18  11.824   7.353   2.014
  Start of MODEL    2
    1    H1   LEU   1           HT1      LEU   1  -1.643   5.499  10.550
    2    H2   LEU   1           HT2      LEU   1  -1.110   3.896  10.464
    3    H3   LEU   1           HT3      LEU   1  -0.670   4.865  11.780
    4    HA   LEU   1           HA       LEU   1  -2.405   3.294  12.372
    5    HB2  LEU   1           HB2      LEU   1  -3.204   6.206  12.333
    6    HB3  LEU   1           HB1      LEU   1  -4.033   4.980  13.271
    7    HG   LEU   1           HG       LEU   1  -1.096   5.336  13.683
    8   HD11  LEU   1          HD11      LEU   1  -1.941   7.614  13.715
    9   HD12  LEU   1          HD12      LEU   1  -1.522   7.083  15.344
   10   HD13  LEU   1          HD13      LEU   1  -3.213   7.142  14.844
   11   HD21  LEU   1          HD21      LEU   1  -3.401   4.673  15.515
   12   HD22  LEU   1          HD22      LEU   1  -1.702   4.728  15.980
   13   HD23  LEU   1          HD23      LEU   1  -2.260   3.521  14.821
   14    H    VAL   2           HN       VAL   2  -3.373   5.550   9.813
   15    HA   VAL   2           HA       VAL   2  -5.330   3.582   8.890
   16    HB   VAL   2           HB       VAL   2  -6.952   5.481   8.360
   17   HG11  VAL   2          HG11      VAL   2  -7.378   3.862  10.110
   18   HG12  VAL   2          HG12      VAL   2  -7.938   5.460  10.600
   19   HG13  VAL   2          HG13      VAL   2  -6.431   4.816  11.250
   20   HG21  VAL   2          HG21      VAL   2  -5.536   7.414   8.668
   21   HG22  VAL   2          HG22      VAL   2  -5.222   6.966  10.344
   22   HG23  VAL   2          HG23      VAL   2  -6.841   7.466   9.853
   23    H    PHE   3           HN       PHE   3  -6.314   5.564   6.819
   24    HA   PHE   3           HA       PHE   3  -5.902   6.170   4.672
   25    HB2  PHE   3           HB2      PHE   3  -3.069   6.572   5.675
   26    HB3  PHE   3           HB1      PHE   3  -3.643   7.076   4.091
   27    HD1  PHE   3           HD2      PHE   3  -5.354   8.872   3.915
   28    HD2  PHE   3           HD1      PHE   3  -3.520   7.843   7.616
   29    HE1  PHE   3           HE2      PHE   3  -6.095  11.013   4.874
   30    HE2  PHE   3           HE1      PHE   3  -4.259   9.982   8.580
   31    HZ   PHE   3           HZ       PHE   3  -5.548  11.571   7.210
   32    H    PHE   4           HN       PHE   4  -5.478   3.317   5.624
   33    HA   PHE   4           HA       PHE   4  -3.473   2.030   4.164
   34    HB2  PHE   4           HB2      PHE   4  -4.915  -0.026   4.421
   35    HB3  PHE   4           HB1      PHE   4  -4.542   0.822   5.914
   36    HD1  PHE   4           HD2      PHE   4  -6.289   2.095   7.085
   37    HD2  PHE   4           HD1      PHE   4  -7.156  -0.202   3.609
   38    HE1  PHE   4           HE2      PHE   4  -8.687   2.196   7.622
   39    HE2  PHE   4           HE1      PHE   4  -9.557  -0.104   4.138
   40    HZ   PHE   4           HZ       PHE   4 -10.325   1.095   6.147
   41    H    ALA   5           HN       ALA   5  -6.821   2.765   3.235
   42    HA   ALA   5           HA       ALA   5  -7.004   1.390   0.822
   43    HB1  ALA   5           HB1      ALA   5  -8.266   4.042   1.501
   44    HB2  ALA   5           HB2      ALA   5  -8.900   2.458   1.944
   45    HB3  ALA   5           HB3      ALA   5  -8.797   2.923   0.246
   46    H    GLU   6           HN       GLU   6  -5.362   4.377   1.537
   47    HA   GLU   6           HA       GLU   6  -4.775   4.850  -1.298
   48    HB2  GLU   6           HB2      GLU   6  -4.462   6.563   1.168
   49    HB3  GLU   6           HB1      GLU   6  -3.733   6.995  -0.372
   50    HG2  GLU   6           HG2      GLU   6  -5.944   7.047  -1.407
   51    HG3  GLU   6           HG1      GLU   6  -6.677   6.606   0.134
   52    H    ASP   7           HN       ASP   7  -3.295   4.114   1.804
   53    HA   ASP   7           HA       ASP   7  -0.578   4.298   0.973
   54    HB2  ASP   7           HB2      ASP   7  -1.673   4.282   3.372
   55    HB3  ASP   7           HB1      ASP   7  -1.398   2.547   3.251
   56    H    VAL   8           HN       VAL   8  -2.974   1.795   0.627
   57    HA   VAL   8           HA       VAL   8  -1.416  -0.515   0.544
   58    HB   VAL   8           HB       VAL   8  -3.170  -1.369  -1.155
   59   HG11  VAL   8          HG11      VAL   8  -4.806  -1.682   0.644
   60   HG12  VAL   8          HG12      VAL   8  -3.968  -0.462   1.603
   61   HG13  VAL   8          HG13      VAL   8  -3.152  -1.969   1.185
   62   HG21  VAL   8          HG21      VAL   8  -4.513   1.204  -0.312
   63   HG22  VAL   8          HG22      VAL   8  -5.288  -0.126  -1.172
   64   HG23  VAL   8          HG23      VAL   8  -3.993   0.789  -1.946
   65    H    GLY   9           HN       GLY   9  -1.705   1.983  -1.883
   66    HA2  GLY   9           HA2      GLY   9  -0.661   0.508  -4.090
   67    HA3  GLY   9           HA1      GLY   9  -0.766   2.254  -3.971
   68    H    SER  10           HN       SER  10   0.860   1.754  -1.318
   69    HA   SER  10           HA       SER  10   3.505   1.450  -2.573
   70    HB2  SER  10           HB2      SER  10   2.757   3.510  -0.475
   71    HB3  SER  10           HB1      SER  10   4.353   3.294  -1.190
   72    HG   SER  10           HG       SER  10   3.674   4.169  -3.029
   73    H    ASN  11           HN       ASN  11   1.917   1.739   0.591
   74    HA   ASN  11           HA       ASN  11   2.711   0.952   2.662
   75    HB2  ASN  11           HB2      ASN  11   0.611  -0.126   1.648
   76    HB3  ASN  11           HB1      ASN  11   1.608  -1.557   1.426
   77   HD21  ASN  11          HD21      ASN  11   0.065   0.541   3.718
   78   HD22  ASN  11          HD22      ASN  11   0.239  -0.490   5.093
   79    H    LYS  12           HN       LYS  12   3.000  -2.303   2.098
   80    HA   LYS  12           HA       LYS  12   5.566  -2.551   3.159
   81    HB2  LYS  12           HB2      LYS  12   3.536  -4.238   2.897
   82    HB3  LYS  12           HB1      LYS  12   4.460  -4.759   1.496
   83    HG2  LYS  12           HG2      LYS  12   5.250  -6.188   3.111
   84    HG3  LYS  12           HG1      LYS  12   6.435  -4.885   3.210
   85    HD2  LYS  12           HD2      LYS  12   5.201  -3.920   5.102
   86    HD3  LYS  12           HD1      LYS  12   4.029  -5.233   5.003
   87    HE2  LYS  12           HE2      LYS  12   6.971  -5.701   5.425
   88    HE3  LYS  12           HE1      LYS  12   5.844  -5.462   6.759
   89    HZ1  LYS  12           HZ1      LYS  12   4.589  -7.384   5.992
   90    HZ2  LYS  12           HZ2      LYS  12   6.194  -7.806   6.318
   91    HZ3  LYS  12           HZ3      LYS  12   5.679  -7.615   4.718
   92    H    GLY  13           HN       GLY  13   4.496  -3.026  -0.214
   93    HA2  GLY  13           HA2      GLY  13   6.898  -3.761  -1.394
   94    HA3  GLY  13           HA1      GLY  13   5.603  -2.919  -2.222
   95    H    ALA  14           HN       ALA  14   5.813  -0.548  -0.506
   96    HA   ALA  14           HA       ALA  14   8.089   0.704  -1.830
   97    HB1  ALA  14           HB1      ALA  14   7.065   2.804  -1.270
   98    HB2  ALA  14           HB2      ALA  14   5.903   1.997  -0.215
   99    HB3  ALA  14           HB3      ALA  14   5.843   1.734  -1.959
  100    H    ILE  15           HN       ILE  15   6.797   0.154   1.443
  101    HA   ILE  15           HA       ILE  15   8.808   1.608   2.810
  102    HB   ILE  15           HB       ILE  15   6.456   0.710   3.627
  103   HG12  ILE  15          HG12      ILE  15   7.537   0.809   6.057
  104   HG13  ILE  15          HG11      ILE  15   8.930   1.381   5.144
  105   HG21  ILE  15          HG21      ILE  15   7.496  -1.704   3.546
  106   HG22  ILE  15          HG22      ILE  15   6.358  -1.244   4.814
  107   HG23  ILE  15          HG23      ILE  15   8.089  -1.259   5.145
  108   HD11  ILE  15          HD11      ILE  15   6.180   2.608   5.121
  109   HD12  ILE  15          HD12      ILE  15   7.575   3.184   4.210
  110   HD13  ILE  15          HD13      ILE  15   7.593   3.231   5.972
  111    H    ILE  16           HN       ILE  16   8.692  -1.698   1.614
  112    HA   ILE  16           HA       ILE  16  11.059  -2.495   3.071
  113    HB   ILE  16           HB       ILE  16   9.208  -4.105   2.457
  114   HG12  ILE  16          HG12      ILE  16  10.951  -5.905   1.591
  115   HG13  ILE  16          HG11      ILE  16  12.104  -4.630   1.966
  116   HG21  ILE  16          HG21      ILE  16   9.239  -5.175   0.255
  117   HG22  ILE  16          HG22      ILE  16  10.416  -3.986  -0.300
  118   HG23  ILE  16          HG23      ILE  16   8.794  -3.471   0.160
  119   HD11  ILE  16          HD11      ILE  16  11.287  -4.569   4.266
  120   HD12  ILE  16          HD12      ILE  16  11.861  -6.176   3.820
  121   HD13  ILE  16          HD13      ILE  16  10.130  -5.845   3.887
  122    H    GLY  17           HN       GLY  17  10.252  -1.519  -0.231
  123    HA2  GLY  17           HA2      GLY  17  12.858  -1.860  -1.339
  124    HA3  GLY  17           HA1      GLY  17  11.538  -0.945  -2.049
  125    H    LEU  18           HN       LEU  18  11.132   0.935   0.004
  126    HA   LEU  18           HA       LEU  18  13.557   2.565  -0.294
  127    HB2  LEU  18           HB2      LEU  18  10.682   3.339   0.215
  128    HB3  LEU  18           HB1      LEU  18  12.012   4.479   0.264
  129    HG   LEU  18           HG       LEU  18  12.450   3.558  -2.182
  130   HD11  LEU  18          HD11      LEU  18  10.356   3.086  -3.351
  131   HD12  LEU  18          HD12      LEU  18   9.489   3.115  -1.815
  132   HD13  LEU  18          HD13      LEU  18  10.696   1.867  -2.122
  133   HD21  LEU  18          HD21      LEU  18  12.015   5.878  -1.617
  134   HD22  LEU  18          HD22      LEU  18  10.291   5.539  -1.473
  135   HD23  LEU  18          HD23      LEU  18  11.087   5.407  -3.041
  Start of MODEL    3
    1    H1   LEU   1           HT1      LEU   1 -10.180   1.176  -0.005
    2    H2   LEU   1           HT2      LEU   1 -10.329   2.682  -0.761
    3    H3   LEU   1           HT3      LEU   1 -11.461   1.464  -1.074
    4    HA   LEU   1           HA       LEU   1 -12.384   3.109   0.407
    5    HB2  LEU   1           HB2      LEU   1 -12.389   0.356   0.741
    6    HB3  LEU   1           HB1      LEU   1 -12.008   0.942   2.343
    7    HG   LEU   1           HG       LEU   1 -14.373   0.537   2.186
    8   HD11  LEU   1          HD11      LEU   1 -15.303   2.688   2.812
    9   HD12  LEU   1          HD12      LEU   1 -13.891   3.508   2.147
   10   HD13  LEU   1          HD13      LEU   1 -13.717   2.447   3.545
   11   HD21  LEU   1          HD21      LEU   1 -14.547   0.763  -0.282
   12   HD22  LEU   1          HD22      LEU   1 -14.530   2.514  -0.081
   13   HD23  LEU   1          HD23      LEU   1 -15.844   1.562   0.608
   14    H    VAL   2           HN       VAL   2 -12.304   4.311   2.292
   15    HA   VAL   2           HA       VAL   2 -11.390   5.601   3.905
   16    HB   VAL   2           HB       VAL   2  -9.473   3.400   4.680
   17   HG11  VAL   2          HG11      VAL   2  -9.289   5.468   5.923
   18   HG12  VAL   2          HG12      VAL   2  -9.959   4.209   6.958
   19   HG13  VAL   2          HG13      VAL   2 -11.017   5.444   6.275
   20   HG21  VAL   2          HG21      VAL   2 -12.434   3.472   5.262
   21   HG22  VAL   2          HG22      VAL   2 -11.277   2.439   6.098
   22   HG23  VAL   2          HG23      VAL   2 -11.555   2.231   4.370
   23    H    PHE   3           HN       PHE   3  -8.298   3.901   3.471
   24    HA   PHE   3           HA       PHE   3  -7.192   5.833   1.668
   25    HB2  PHE   3           HB2      PHE   3  -5.358   6.579   3.284
   26    HB3  PHE   3           HB1      PHE   3  -6.940   7.307   3.499
   27    HD1  PHE   3           HD1      PHE   3  -4.756   4.585   4.823
   28    HD2  PHE   3           HD2      PHE   3  -7.937   7.310   5.593
   29    HE1  PHE   3           HE1      PHE   3  -4.714   3.958   7.201
   30    HE2  PHE   3           HE2      PHE   3  -7.901   6.682   7.971
   31    HZ   PHE   3           HZ       PHE   3  -6.288   5.006   8.778
   32    H    PHE   4           HN       PHE   4  -6.866   3.053   3.718
   33    HA   PHE   4           HA       PHE   4  -4.222   2.290   3.194
   34    HB2  PHE   4           HB2      PHE   4  -5.945   1.353   4.895
   35    HB3  PHE   4           HB1      PHE   4  -6.423   0.281   3.585
   36    HD1  PHE   4           HD1      PHE   4  -4.941  -1.469   2.804
   37    HD2  PHE   4           HD2      PHE   4  -3.799   1.122   5.981
   38    HE1  PHE   4           HE1      PHE   4  -3.114  -3.006   3.396
   39    HE2  PHE   4           HE2      PHE   4  -1.969  -0.411   6.579
   40    HZ   PHE   4           HZ       PHE   4  -1.624  -2.478   5.285
   41    H    ALA   5           HN       ALA   5  -7.226   1.365   1.495
   42    HA   ALA   5           HA       ALA   5  -6.114  -0.404  -0.374
   43    HB1  ALA   5           HB1      ALA   5  -8.546   1.336  -0.741
   44    HB2  ALA   5           HB2      ALA   5  -8.519  -0.211   0.105
   45    HB3  ALA   5           HB3      ALA   5  -8.165  -0.144  -1.622
   46    H    GLU   6           HN       GLU   6  -6.188   3.078  -0.334
   47    HA   GLU   6           HA       GLU   6  -5.316   3.284  -3.111
   48    HB2  GLU   6           HB2      GLU   6  -6.036   5.345  -1.028
   49    HB3  GLU   6           HB1      GLU   6  -5.336   5.779  -2.580
   50    HG2  GLU   6           HG2      GLU   6  -7.231   4.741  -3.725
   51    HG3  GLU   6           HG1      GLU   6  -7.936   4.319  -2.164
   52    H    ASP   7           HN       ASP   7  -4.125   3.952   0.165
   53    HA   ASP   7           HA       ASP   7  -1.576   4.933  -0.636
   54    HB2  ASP   7           HB2      ASP   7  -2.721   4.008   1.981
   55    HB3  ASP   7           HB1      ASP   7  -1.014   4.418   1.834
   56    H    VAL   8           HN       VAL   8  -2.819   1.715  -0.031
   57    HA   VAL   8           HA       VAL   8  -0.434   0.340   0.497
   58    HB   VAL   8           HB       VAL   8  -2.729  -0.573   0.831
   59   HG11  VAL   8          HG11      VAL   8  -3.873  -1.726  -1.005
   60   HG12  VAL   8          HG12      VAL   8  -2.694  -1.073  -2.141
   61   HG13  VAL   8          HG13      VAL   8  -3.774   0.015  -1.269
   62   HG21  VAL   8          HG21      VAL   8  -2.181  -2.914   0.206
   63   HG22  VAL   8          HG22      VAL   8  -0.879  -2.073   1.045
   64   HG23  VAL   8          HG23      VAL   8  -0.797  -2.304  -0.701
   65    H    GLY   9           HN       GLY   9  -1.610   1.612  -2.504
   66    HA2  GLY   9           HA2      GLY   9  -0.168  -0.070  -4.296
   67    HA3  GLY   9           HA1      GLY   9  -0.865   1.493  -4.678
   68    H    SER  10           HN       SER  10   0.849   2.566  -2.316
   69    HA   SER  10           HA       SER  10   3.462   2.547  -3.661
   70    HB2  SER  10           HB2      SER  10   2.011   5.024  -2.699
   71    HB3  SER  10           HB1      SER  10   3.666   4.989  -3.305
   72    HG   SER  10           HG       SER  10   2.316   5.554  -4.987
   73    H    ASN  11           HN       ASN  11   1.687   3.441  -0.695
   74    HA   ASN  11           HA       ASN  11   3.879   3.903   0.982
   75    HB2  ASN  11           HB2      ASN  11   1.316   4.293   1.352
   76    HB3  ASN  11           HB1      ASN  11   1.356   2.679   2.053
   77   HD21  ASN  11          HD21      ASN  11   2.485   2.331   3.964
   78   HD22  ASN  11          HD22      ASN  11   2.975   3.631   4.992
   79    H    LYS  12           HN       LYS  12   2.047   0.876   0.473
   80    HA   LYS  12           HA       LYS  12   3.564  -0.708   2.257
   81    HB2  LYS  12           HB2      LYS  12   1.251  -1.140   1.042
   82    HB3  LYS  12           HB1      LYS  12   2.271  -1.925  -0.153
   83    HG2  LYS  12           HG2      LYS  12   1.706  -3.696   1.197
   84    HG3  LYS  12           HG1      LYS  12   3.235  -3.193   1.918
   85    HD2  LYS  12           HD2      LYS  12   2.000  -1.909   3.613
   86    HD3  LYS  12           HD1      LYS  12   0.478  -2.434   2.894
   87    HE2  LYS  12           HE2      LYS  12   0.844  -3.851   4.746
   88    HE3  LYS  12           HE1      LYS  12   1.243  -4.805   3.319
   89    HZ1  LYS  12           HZ1      LYS  12   3.206  -3.428   5.074
   90    HZ2  LYS  12           HZ2      LYS  12   3.582  -4.366   3.718
   91    HZ3  LYS  12           HZ3      LYS  12   2.881  -5.089   5.076
   92    H    GLY  13           HN       GLY  13   3.697  -0.339  -1.286
   93    HA2  GLY  13           HA2      GLY  13   5.883  -2.011  -1.819
   94    HA3  GLY  13           HA1      GLY  13   5.360  -0.673  -2.829
   95    H    ALA  14           HN       ALA  14   5.763   1.379  -0.836
   96    HA   ALA  14           HA       ALA  14   8.596   1.801  -1.159
   97    HB1  ALA  14           HB1      ALA  14   8.192   3.971  -0.123
   98    HB2  ALA  14           HB2      ALA  14   6.553   3.477   0.298
   99    HB3  ALA  14           HB3      ALA  14   7.012   3.653  -1.396
  100    H    ILE  15           HN       ILE  15   6.377   1.117   1.531
  101    HA   ILE  15           HA       ILE  15   8.314   1.344   3.596
  102    HB   ILE  15           HB       ILE  15   5.677   1.343   3.674
  103   HG12  ILE  15          HG12      ILE  15   7.142   1.972   5.537
  104   HG13  ILE  15          HG11      ILE  15   5.740   1.079   6.093
  105   HG21  ILE  15          HG21      ILE  15   6.058  -1.450   4.678
  106   HG22  ILE  15          HG22      ILE  15   5.609  -1.119   3.008
  107   HG23  ILE  15          HG23      ILE  15   4.561  -0.586   4.325
  108   HD11  ILE  15          HD11      ILE  15   7.137  -0.915   6.389
  109   HD12  ILE  15          HD12      ILE  15   7.734   0.453   7.327
  110   HD13  ILE  15          HD13      ILE  15   8.542  -0.008   5.829
  111    H    ILE  16           HN       ILE  16   7.261  -1.383   1.574
  112    HA   ILE  16           HA       ILE  16   8.730  -3.340   3.082
  113    HB   ILE  16           HB       ILE  16   8.380  -4.875   1.146
  114   HG12  ILE  16          HG12      ILE  16   6.396  -3.780  -0.379
  115   HG13  ILE  16          HG11      ILE  16   7.450  -2.389  -0.150
  116   HG21  ILE  16          HG21      ILE  16   5.921  -3.494   2.199
  117   HG22  ILE  16          HG22      ILE  16   6.803  -4.813   2.970
  118   HG23  ILE  16          HG23      ILE  16   5.958  -5.090   1.446
  119   HD11  ILE  16          HD11      ILE  16   8.264  -5.056  -1.280
  120   HD12  ILE  16          HD12      ILE  16   9.326  -3.667  -1.047
  121   HD13  ILE  16          HD13      ILE  16   7.990  -3.573  -2.194
  122    H    GLY  17           HN       GLY  17   9.329  -1.540   0.095
  123    HA2  GLY  17           HA2      GLY  17  11.885  -2.675  -0.462
  124    HA3  GLY  17           HA1      GLY  17  11.217  -1.217  -1.174
  125    H    LEU  18           HN       LEU  18  10.855   0.319   1.152
  126    HA   LEU  18           HA       LEU  18  13.583   0.603   2.217
  127    HB2  LEU  18           HB2      LEU  18  12.893   2.234   0.315
  128    HB3  LEU  18           HB1      LEU  18  11.897   2.997   1.537
  129    HG   LEU  18           HG       LEU  18  14.167   3.076   2.887
  130   HD11  LEU  18          HD11      LEU  18  15.474   1.808   1.270
  131   HD12  LEU  18          HD12      LEU  18  16.088   3.454   1.421
  132   HD13  LEU  18          HD13      LEU  18  15.112   3.002   0.023
  133   HD21  LEU  18          HD21      LEU  18  12.855   5.015   2.239
  134   HD22  LEU  18          HD22      LEU  18  13.508   4.930   0.602
  135   HD23  LEU  18          HD23      LEU  18  14.572   5.308   1.958
  Start of MODEL    4
    1    H1   LEU   1           HT1      LEU   1 -13.366   4.205  -0.688
    2    H2   LEU   1           HT2      LEU   1 -14.206   5.393  -1.551
    3    H3   LEU   1           HT3      LEU   1 -12.738   4.798  -2.142
    4    HA   LEU   1           HA       LEU   1 -15.215   3.213  -1.814
    5    HB2  LEU   1           HB2      LEU   1 -15.076   5.062  -3.632
    6    HB3  LEU   1           HB1      LEU   1 -13.951   3.983  -4.430
    7    HG   LEU   1           HG       LEU   1 -15.925   2.242  -4.136
    8   HD11  LEU   1          HD11      LEU   1 -17.371   4.888  -4.181
    9   HD12  LEU   1          HD12      LEU   1 -17.370   3.728  -2.853
   10   HD13  LEU   1          HD13      LEU   1 -18.111   3.301  -4.395
   11   HD21  LEU   1          HD21      LEU   1 -15.856   4.414  -6.226
   12   HD22  LEU   1          HD22      LEU   1 -16.731   2.890  -6.372
   13   HD23  LEU   1          HD23      LEU   1 -14.970   2.889  -6.261
   14    H    VAL   2           HN       VAL   2 -11.871   3.379  -2.992
   15    HA   VAL   2           HA       VAL   2 -11.825   0.469  -3.293
   16    HB   VAL   2           HB       VAL   2  -9.510   0.884  -4.307
   17   HG11  VAL   2          HG11      VAL   2 -11.432   0.360  -5.667
   18   HG12  VAL   2          HG12      VAL   2 -10.443   1.577  -6.473
   19   HG13  VAL   2          HG13      VAL   2 -11.935   2.051  -5.661
   20   HG21  VAL   2          HG21      VAL   2  -9.094   3.132  -3.439
   21   HG22  VAL   2          HG22      VAL   2 -10.474   3.750  -4.347
   22   HG23  VAL   2          HG23      VAL   2  -9.064   3.127  -5.202
   23    H    PHE   3           HN       PHE   3  -8.941   0.157  -2.862
   24    HA   PHE   3           HA       PHE   3  -8.840   0.505   0.062
   25    HB2  PHE   3           HB2      PHE   3  -7.429  -1.569   0.099
   26    HB3  PHE   3           HB1      PHE   3  -9.083  -1.835  -0.426
   27    HD1  PHE   3           HD1      PHE   3  -9.520  -2.105  -2.919
   28    HD2  PHE   3           HD2      PHE   3  -5.620  -2.229  -1.221
   29    HE1  PHE   3           HE1      PHE   3  -8.687  -3.256  -4.927
   30    HE2  PHE   3           HE2      PHE   3  -4.778  -3.375  -3.228
   31    HZ   PHE   3           HZ       PHE   3  -6.313  -3.891  -5.085
   32    H    PHE   4           HN       PHE   4  -7.821   2.245  -2.197
   33    HA   PHE   4           HA       PHE   4  -5.022   2.157  -2.392
   34    HB2  PHE   4           HB2      PHE   4  -6.792   3.512  -3.741
   35    HB3  PHE   4           HB1      PHE   4  -6.561   4.736  -2.499
   36    HD1  PHE   4           HD1      PHE   4  -5.005   2.956  -5.298
   37    HD2  PHE   4           HD2      PHE   4  -4.525   6.004  -2.367
   38    HE1  PHE   4           HE1      PHE   4  -3.041   3.807  -6.511
   39    HE2  PHE   4           HE2      PHE   4  -2.560   6.860  -3.575
   40    HZ   PHE   4           HZ       PHE   4  -1.816   5.763  -5.650
   41    H    ALA   5           HN       ALA   5  -7.135   3.805  -0.070
   42    HA   ALA   5           HA       ALA   5  -5.247   5.377   1.275
   43    HB1  ALA   5           HB1      ALA   5  -6.856   5.472   3.097
   44    HB2  ALA   5           HB2      ALA   5  -7.729   4.099   2.415
   45    HB3  ALA   5           HB3      ALA   5  -7.670   5.629   1.541
   46    H    GLU   6           HN       GLU   6  -6.020   1.985   1.574
   47    HA   GLU   6           HA       GLU   6  -4.255   1.646   3.881
   48    HB2  GLU   6           HB2      GLU   6  -6.183  -0.189   2.464
   49    HB3  GLU   6           HB1      GLU   6  -5.031  -0.791   3.647
   50    HG2  GLU   6           HG2      GLU   6  -6.001   0.691   5.337
   51    HG3  GLU   6           HG1      GLU   6  -7.165   1.274   4.149
   52    H    ASP   7           HN       ASP   7  -4.508   0.881   0.462
   53    HA   ASP   7           HA       ASP   7  -2.251  -0.843   0.292
   54    HB2  ASP   7           HB2      ASP   7  -4.265  -0.416  -1.363
   55    HB3  ASP   7           HB1      ASP   7  -3.161   0.763  -2.056
   56    H    VAL   8           HN       VAL   8  -2.651   2.614   0.254
   57    HA   VAL   8           HA       VAL   8  -1.306   4.396  -0.004
   58    HB   VAL   8           HB       VAL   8  -0.424   3.235   2.092
   59   HG11  VAL   8          HG11      VAL   8   0.878   1.447   1.103
   60   HG12  VAL   8          HG12      VAL   8   1.885   2.472   2.125
   61   HG13  VAL   8          HG13      VAL   8   1.967   2.625   0.370
   62   HG21  VAL   8          HG21      VAL   8   1.231   5.251   0.606
   63   HG22  VAL   8          HG22      VAL   8   1.522   4.813   2.288
   64   HG23  VAL   8          HG23      VAL   8  -0.017   5.534   1.818
   65    H    GLY   9           HN       GLY   9   1.715   4.226  -0.586
   66    HA2  GLY   9           HA2      GLY   9   1.595   4.584  -3.365
   67    HA3  GLY   9           HA1      GLY   9   3.066   4.341  -2.438
   68    H    SER  10           HN       SER  10   3.053   1.845  -1.590
   69    HA   SER  10           HA       SER  10   2.203  -0.011  -3.646
   70    HB2  SER  10           HB2      SER  10   5.160   0.374  -3.076
   71    HB3  SER  10           HB1      SER  10   4.469  -0.889  -4.093
   72    HG   SER  10           HG       SER  10   3.568   1.527  -4.862
   73    H    ASN  11           HN       ASN  11   1.333   0.137  -1.056
   74    HA   ASN  11           HA       ASN  11   1.448  -0.794   1.089
   75    HB2  ASN  11           HB2      ASN  11   0.632  -3.217   0.814
   76    HB3  ASN  11           HB1      ASN  11  -0.330  -1.932   0.105
   77   HD21  ASN  11          HD21      ASN  11   1.466  -4.781  -0.467
   78   HD22  ASN  11          HD22      ASN  11   1.228  -4.862  -2.177
   79    H    LYS  12           HN       LYS  12   2.490  -3.898  -0.089
   80    HA   LYS  12           HA       LYS  12   4.402  -4.286   1.925
   81    HB2  LYS  12           HB2      LYS  12   3.106  -5.967   0.350
   82    HB3  LYS  12           HB1      LYS  12   4.547  -5.826  -0.641
   83    HG2  LYS  12           HG2      LYS  12   4.827  -6.488   2.261
   84    HG3  LYS  12           HG1      LYS  12   4.332  -7.740   1.124
   85    HD2  LYS  12           HD2      LYS  12   6.698  -6.101   0.390
   86    HD3  LYS  12           HD1      LYS  12   6.897  -7.258   1.705
   87    HE2  LYS  12           HE2      LYS  12   5.754  -8.000  -0.982
   88    HE3  LYS  12           HE1      LYS  12   7.474  -8.095  -0.611
   89    HZ1  LYS  12           HZ1      LYS  12   6.394 -10.228  -0.300
   90    HZ2  LYS  12           HZ2      LYS  12   5.309  -9.554   0.809
   91    HZ3  LYS  12           HZ3      LYS  12   6.956  -9.638   1.184
   92    H    GLY  13           HN       GLY  13   4.868  -3.729  -1.570
   93    HA2  GLY  13           HA2      GLY  13   7.662  -3.542  -1.614
   94    HA3  GLY  13           HA1      GLY  13   6.579  -2.821  -2.792
   95    H    ALA  14           HN       ALA  14   5.241  -1.182  -0.708
   96    HA   ALA  14           HA       ALA  14   7.055   1.060  -0.737
   97    HB1  ALA  14           HB1      ALA  14   4.745   1.526  -1.154
   98    HB2  ALA  14           HB2      ALA  14   5.178   2.262   0.388
   99    HB3  ALA  14           HB3      ALA  14   4.263   0.755   0.357
  100    H    ILE  15           HN       ILE  15   5.481  -0.930   1.800
  101    HA   ILE  15           HA       ILE  15   6.742   0.375   3.984
  102    HB   ILE  15           HB       ILE  15   6.060  -1.572   5.374
  103   HG12  ILE  15          HG12      ILE  15   4.259  -2.981   3.850
  104   HG13  ILE  15          HG11      ILE  15   5.605  -2.770   2.734
  105   HG21  ILE  15          HG21      ILE  15   3.647  -1.191   5.167
  106   HG22  ILE  15          HG22      ILE  15   3.916  -0.400   3.614
  107   HG23  ILE  15          HG23      ILE  15   4.572   0.309   5.088
  108   HD11  ILE  15          HD11      ILE  15   7.115  -3.777   4.358
  109   HD12  ILE  15          HD12      ILE  15   5.787  -4.862   3.945
  110   HD13  ILE  15          HD13      ILE  15   5.770  -3.989   5.478
  111    H    ILE  16           HN       ILE  16   7.617  -2.573   2.167
  112    HA   ILE  16           HA       ILE  16   9.943  -3.010   3.834
  113    HB   ILE  16           HB       ILE  16   8.633  -4.890   2.740
  114   HG12  ILE  16          HG12      ILE  16  10.883  -6.071   1.972
  115   HG13  ILE  16          HG11      ILE  16  11.607  -4.637   2.693
  116   HG21  ILE  16          HG21      ILE  16   8.378  -4.039   0.503
  117   HG22  ILE  16          HG22      ILE  16   9.268  -5.560   0.459
  118   HG23  ILE  16          HG23      ILE  16  10.125  -4.030   0.268
  119   HD11  ILE  16          HD11      ILE  16  10.496  -5.142   4.807
  120   HD12  ILE  16          HD12      ILE  16  11.519  -6.476   4.274
  121   HD13  ILE  16          HD13      ILE  16   9.768  -6.576   4.082
  122    H    GLY  17           HN       GLY  17   9.228  -1.584   0.709
  123    HA2  GLY  17           HA2      GLY  17  11.914  -1.211  -0.167
  124    HA3  GLY  17           HA1      GLY  17  10.492  -0.407  -0.808
  125    H    LEU  18           HN       LEU  18   9.646   0.824   1.644
  126    HA   LEU  18           HA       LEU  18  11.860   2.679   2.203
  127    HB2  LEU  18           HB2      LEU  18  10.017   3.474   0.533
  128    HB3  LEU  18           HB1      LEU  18   9.031   3.657   1.969
  129    HG   LEU  18           HG       LEU  18  11.708   4.972   1.955
  130   HD11  LEU  18          HD11      LEU  18  10.781   6.932   0.811
  131   HD12  LEU  18          HD12      LEU  18   9.312   6.023   0.455
  132   HD13  LEU  18          HD13      LEU  18  10.851   5.524  -0.249
  133   HD21  LEU  18          HD21      LEU  18   8.987   5.779   2.985
  134   HD22  LEU  18          HD22      LEU  18  10.489   6.671   3.228
  135   HD23  LEU  18          HD23      LEU  18  10.288   5.070   3.941
  Start of MODEL    5
    1    H1   LEU   1           HT1      LEU   1  -4.802   9.036   8.872
    2    H2   LEU   1           HT2      LEU   1  -5.667   9.637  10.194
    3    H3   LEU   1           HT3      LEU   1  -6.133   8.180   9.473
    4    HA   LEU   1           HA       LEU   1  -3.574   8.657  10.883
    5    HB2  LEU   1           HB2      LEU   1  -6.075   7.190  11.723
    6    HB3  LEU   1           HB1      LEU   1  -4.536   7.034  12.547
    7    HG   LEU   1           HG       LEU   1  -5.714   9.762  12.221
    8   HD11  LEU   1          HD11      LEU   1  -6.973   9.476  14.300
    9   HD12  LEU   1          HD12      LEU   1  -6.569   7.759  14.306
   10   HD13  LEU   1          HD13      LEU   1  -7.581   8.423  13.022
   11   HD21  LEU   1          HD21      LEU   1  -4.607  10.117  14.377
   12   HD22  LEU   1          HD22      LEU   1  -3.475   9.521  13.163
   13   HD23  LEU   1          HD23      LEU   1  -4.101   8.427  14.396
   14    H    VAL   2           HN       VAL   2  -5.707   6.397   9.191
   15    HA   VAL   2           HA       VAL   2  -3.595   4.380   9.137
   16    HB   VAL   2           HB       VAL   2  -5.383   2.975   7.939
   17   HG11  VAL   2          HG11      VAL   2  -4.682   2.579  10.222
   18   HG12  VAL   2          HG12      VAL   2  -6.423   2.347  10.069
   19   HG13  VAL   2          HG13      VAL   2  -5.790   3.821  10.802
   20   HG21  VAL   2          HG21      VAL   2  -7.715   3.572   8.379
   21   HG22  VAL   2          HG22      VAL   2  -6.938   4.793   7.369
   22   HG23  VAL   2          HG23      VAL   2  -7.202   5.105   9.084
   23    H    PHE   3           HN       PHE   3  -5.697   6.098   6.813
   24    HA   PHE   3           HA       PHE   3  -5.511   6.595   4.597
   25    HB2  PHE   3           HB2      PHE   3  -2.593   6.690   5.383
   26    HB3  PHE   3           HB1      PHE   3  -3.182   7.193   3.803
   27    HD1  PHE   3           HD2      PHE   3  -4.508   9.212   3.554
   28    HD2  PHE   3           HD1      PHE   3  -3.022   8.006   7.356
   29    HE1  PHE   3           HE2      PHE   3  -4.986  11.454   4.448
   30    HE2  PHE   3           HE1      PHE   3  -3.498  10.246   8.257
   31    HZ   PHE   3           HZ       PHE   3  -4.480  11.974   6.802
   32    H    PHE   4           HN       PHE   4  -5.570   3.720   5.282
   33    HA   PHE   4           HA       PHE   4  -3.803   2.162   3.802
   34    HB2  PHE   4           HB2      PHE   4  -5.522   0.391   3.893
   35    HB3  PHE   4           HB1      PHE   4  -5.279   1.172   5.447
   36    HD1  PHE   4           HD2      PHE   4  -7.005   2.713   6.332
   37    HD2  PHE   4           HD1      PHE   4  -7.617   0.460   2.777
   38    HE1  PHE   4           HE2      PHE   4  -9.424   3.122   6.497
   39    HE2  PHE   4           HE1      PHE   4 -10.039   0.863   2.933
   40    HZ   PHE   4           HZ       PHE   4 -10.946   2.195   4.796
   41    H    ALA   5           HN       ALA   5  -6.905   3.558   2.757
   42    HA   ALA   5           HA       ALA   5  -7.145   2.412   0.234
   43    HB1  ALA   5           HB1      ALA   5  -8.008   5.180   1.057
   44    HB2  ALA   5           HB2      ALA   5  -8.914   3.693   1.340
   45    HB3  ALA   5           HB3      ALA   5  -8.629   4.253  -0.308
   46    H    GLU   6           HN       GLU   6  -5.094   5.036   1.263
   47    HA   GLU   6           HA       GLU   6  -4.297   5.632  -1.492
   48    HB2  GLU   6           HB2      GLU   6  -4.833   7.385   0.419
   49    HB3  GLU   6           HB1      GLU   6  -3.171   7.063   0.887
   50    HG2  GLU   6           HG2      GLU   6  -2.972   8.916  -0.477
   51    HG3  GLU   6           HG1      GLU   6  -2.607   7.587  -1.575
   52    H    ASP   7           HN       ASP   7  -3.037   4.473   1.600
   53    HA   ASP   7           HA       ASP   7  -0.327   4.207   0.780
   54    HB2  ASP   7           HB2      ASP   7  -1.908   3.232   3.127
   55    HB3  ASP   7           HB1      ASP   7  -0.268   2.651   2.863
   56    H    VAL   8           HN       VAL   8  -3.099   2.170   0.279
   57    HA   VAL   8           HA       VAL   8  -1.959  -0.369   0.154
   58    HB   VAL   8           HB       VAL   8  -3.732  -0.839  -1.677
   59   HG11  VAL   8          HG11      VAL   8  -4.515   0.049   1.091
   60   HG12  VAL   8          HG12      VAL   8  -3.944  -1.551   0.619
   61   HG13  VAL   8          HG13      VAL   8  -5.494  -0.957   0.025
   62   HG21  VAL   8          HG21      VAL   8  -5.614   0.741  -1.715
   63   HG22  VAL   8          HG22      VAL   8  -4.148   1.458  -2.383
   64   HG23  VAL   8          HG23      VAL   8  -4.672   1.882  -0.754
   65    H    GLY   9           HN       GLY   9  -1.758   2.213  -2.206
   66    HA2  GLY   9           HA2      GLY   9  -0.811   0.652  -4.397
   67    HA3  GLY   9           HA1      GLY   9  -0.688   2.395  -4.237
   68    H    SER  10           HN       SER  10   0.743   1.740  -1.544
   69    HA   SER  10           HA       SER  10   3.383   1.171  -2.720
   70    HB2  SER  10           HB2      SER  10   2.689   3.100  -0.486
   71    HB3  SER  10           HB1      SER  10   4.328   2.728  -1.011
   72    HG   SER  10           HG       SER  10   4.039   4.243  -2.425
   73    H    ASN  11           HN       ASN  11   1.675   1.253   0.410
   74    HA   ASN  11           HA       ASN  11   1.885   0.065   2.336
   75    HB2  ASN  11           HB2      ASN  11   1.112  -1.661   0.159
   76    HB3  ASN  11           HB1      ASN  11   1.943  -2.585   1.407
   77   HD21  ASN  11          HD21      ASN  11   1.051  -2.724   3.461
   78   HD22  ASN  11          HD22      ASN  11  -0.598  -2.318   3.775
   79    H    LYS  12           HN       LYS  12   2.945  -2.382   3.050
   80    HA   LYS  12           HA       LYS  12   5.509  -1.810   3.880
   81    HB2  LYS  12           HB2      LYS  12   4.147  -4.467   3.448
   82    HB3  LYS  12           HB1      LYS  12   5.741  -4.334   4.175
   83    HG2  LYS  12           HG2      LYS  12   3.484  -2.760   5.329
   84    HG3  LYS  12           HG1      LYS  12   3.603  -4.486   5.671
   85    HD2  LYS  12           HD2      LYS  12   5.867  -4.157   6.547
   86    HD3  LYS  12           HD1      LYS  12   5.759  -2.433   6.188
   87    HE2  LYS  12           HE2      LYS  12   5.291  -2.641   8.491
   88    HE3  LYS  12           HE1      LYS  12   3.734  -2.380   7.707
   89    HZ1  LYS  12           HZ1      LYS  12   3.315  -4.756   7.823
   90    HZ2  LYS  12           HZ2      LYS  12   3.613  -4.133   9.366
   91    HZ3  LYS  12           HZ3      LYS  12   4.815  -5.012   8.565
   92    H    GLY  13           HN       GLY  13   4.473  -3.493   0.951
   93    HA2  GLY  13           HA2      GLY  13   6.875  -4.488  -0.021
   94    HA3  GLY  13           HA1      GLY  13   5.525  -3.986  -1.023
   95    H    ALA  14           HN       ALA  14   5.464  -1.248  -0.618
   96    HA   ALA  14           HA       ALA  14   7.878  -0.434  -2.027
   97    HB1  ALA  14           HB1      ALA  14   6.616   1.812  -2.084
   98    HB2  ALA  14           HB2      ALA  14   5.246   0.868  -1.496
   99    HB3  ALA  14           HB3      ALA  14   5.995   0.465  -3.039
  100    H    ILE  15           HN       ILE  15   6.260   0.180   1.084
  101    HA   ILE  15           HA       ILE  15   7.972   2.259   1.957
  102    HB   ILE  15           HB       ILE  15   6.329   0.323   3.615
  103   HG12  ILE  15          HG12      ILE  15   5.705   3.228   3.152
  104   HG13  ILE  15          HG11      ILE  15   5.277   2.040   1.929
  105   HG21  ILE  15          HG21      ILE  15   7.672   2.891   4.487
  106   HG22  ILE  15          HG22      ILE  15   8.121   1.262   4.992
  107   HG23  ILE  15          HG23      ILE  15   6.560   1.931   5.464
  108   HD11  ILE  15          HD11      ILE  15   3.901   0.855   3.571
  109   HD12  ILE  15          HD12      ILE  15   3.391   2.532   3.374
  110   HD13  ILE  15          HD13      ILE  15   4.330   2.056   4.789
  111    H    ILE  16           HN       ILE  16   8.411  -1.239   1.922
  112    HA   ILE  16           HA       ILE  16  10.667  -1.157   3.727
  113    HB   ILE  16           HB       ILE  16   9.149  -3.171   3.486
  114   HG12  ILE  16          HG12      ILE  16  11.226  -4.814   3.403
  115   HG13  ILE  16          HG11      ILE  16  12.130  -3.305   3.452
  116   HG21  ILE  16          HG21      ILE  16   9.647  -4.828   1.748
  117   HG22  ILE  16          HG22      ILE  16  10.708  -3.663   0.956
  118   HG23  ILE  16          HG23      ILE  16   8.980  -3.338   1.079
  119   HD11  ILE  16          HD11      ILE  16  11.007  -2.698   5.531
  120   HD12  ILE  16          HD12      ILE  16  11.843  -4.245   5.674
  121   HD13  ILE  16          HD13      ILE  16  10.090  -4.203   5.476
  122    H    GLY  17           HN       GLY  17  10.182  -1.397   0.226
  123    HA2  GLY  17           HA2      GLY  17  12.941  -1.573  -0.482
  124    HA3  GLY  17           HA1      GLY  17  11.613  -1.187  -1.564
  125    H    LEU  18           HN       LEU  18  10.634   1.124  -0.366
  126    HA   LEU  18           HA       LEU  18  12.907   2.990  -0.467
  127    HB2  LEU  18           HB2      LEU  18  11.430   2.789  -2.601
  128    HB3  LEU  18           HB1      LEU  18  10.241   3.677  -1.671
  129    HG   LEU  18           HG       LEU  18  12.247   5.366  -1.329
  130   HD11  LEU  18          HD11      LEU  18  13.923   3.997  -2.448
  131   HD12  LEU  18          HD12      LEU  18  13.664   5.511  -3.316
  132   HD13  LEU  18          HD13      LEU  18  12.962   4.013  -3.928
  133   HD21  LEU  18          HD21      LEU  18  11.464   6.598  -3.299
  134   HD22  LEU  18          HD22      LEU  18  10.125   5.911  -2.378
  135   HD23  LEU  18          HD23      LEU  18  10.651   5.144  -3.877
  Start of MODEL    6
    1    H1   LEU   1           HT1      LEU   1  -1.307   7.301 -10.259
    2    H2   LEU   1           HT2      LEU   1  -0.498   7.278  -8.773
    3    H3   LEU   1           HT3      LEU   1  -0.973   8.751  -9.454
    4    HA   LEU   1           HA       LEU   1  -3.287   8.174  -9.212
    5    HB2  LEU   1           HB2      LEU   1  -2.178   5.673  -7.928
    6    HB3  LEU   1           HB1      LEU   1  -3.859   6.160  -7.852
    7    HG   LEU   1           HG       LEU   1  -2.583   5.799 -10.533
    8   HD11  LEU   1          HD11      LEU   1  -3.193   3.428 -10.502
    9   HD12  LEU   1          HD12      LEU   1  -3.614   3.563  -8.795
   10   HD13  LEU   1          HD13      LEU   1  -1.945   3.797  -9.312
   11   HD21  LEU   1          HD21      LEU   1  -5.364   5.308  -9.464
   12   HD22  LEU   1          HD22      LEU   1  -4.853   5.115 -11.141
   13   HD23  LEU   1          HD23      LEU   1  -4.843   6.713 -10.395
   14    H    VAL   2           HN       VAL   2  -0.649   7.563  -6.925
   15    HA   VAL   2           HA       VAL   2  -0.185   8.247  -4.815
   16    HB   VAL   2           HB       VAL   2  -1.848  10.735  -5.089
   17   HG11  VAL   2          HG11      VAL   2   0.062  11.784  -4.031
   18   HG12  VAL   2          HG12      VAL   2   0.997  10.297  -4.177
   19   HG13  VAL   2          HG13      VAL   2  -0.410  10.353  -3.115
   20   HG21  VAL   2          HG21      VAL   2   0.682  10.257  -6.673
   21   HG22  VAL   2          HG22      VAL   2  -0.140  11.807  -6.492
   22   HG23  VAL   2          HG23      VAL   2  -0.936  10.481  -7.340
   23    H    PHE   3           HN       PHE   3  -2.100  10.061  -3.230
   24    HA   PHE   3           HA       PHE   3  -3.617   9.882  -1.615
   25    HB2  PHE   3           HB2      PHE   3  -5.014   8.153  -3.656
   26    HB3  PHE   3           HB1      PHE   3  -5.757   8.601  -2.124
   27    HD1  PHE   3           HD2      PHE   3  -6.467  10.876  -1.704
   28    HD2  PHE   3           HD1      PHE   3  -4.671   9.785  -5.406
   29    HE1  PHE   3           HE2      PHE   3  -7.245  12.987  -2.699
   30    HE2  PHE   3           HE1      PHE   3  -5.445  11.895  -6.407
   31    HZ   PHE   3           HZ       PHE   3  -6.735  13.498  -5.054
   32    H    PHE   4           HN       PHE   4  -4.801   8.256   0.051
   33    HA   PHE   4           HA       PHE   4  -2.787   6.414   0.888
   34    HB2  PHE   4           HB2      PHE   4  -4.442   7.841   2.315
   35    HB3  PHE   4           HB1      PHE   4  -5.552   6.499   2.062
   36    HD1  PHE   4           HD1      PHE   4  -5.144   4.338   3.076
   37    HD2  PHE   4           HD2      PHE   4  -2.473   7.593   3.692
   38    HE1  PHE   4           HE1      PHE   4  -4.113   3.131   4.957
   39    HE2  PHE   4           HE2      PHE   4  -1.438   6.393   5.574
   40    HZ   PHE   4           HZ       PHE   4  -2.257   4.159   6.208
   41    H    ALA   5           HN       ALA   5  -6.239   5.892   0.089
   42    HA   ALA   5           HA       ALA   5  -6.228   3.110   0.078
   43    HB1  ALA   5           HB1      ALA   5  -7.984   4.927  -1.561
   44    HB2  ALA   5           HB2      ALA   5  -8.252   4.485   0.126
   45    HB3  ALA   5           HB3      ALA   5  -8.322   3.250  -1.131
   46    H    GLU   6           HN       GLU   6  -5.003   5.271  -2.335
   47    HA   GLU   6           HA       GLU   6  -4.888   3.125  -4.321
   48    HB2  GLU   6           HB2      GLU   6  -4.427   6.096  -4.554
   49    HB3  GLU   6           HB1      GLU   6  -4.056   4.970  -5.851
   50    HG2  GLU   6           HG2      GLU   6  -6.384   4.299  -5.969
   51    HG3  GLU   6           HG1      GLU   6  -6.776   5.363  -4.619
   52    H    ASP   7           HN       ASP   7  -2.678   5.528  -2.749
   53    HA   ASP   7           HA       ASP   7  -0.331   4.278  -3.812
   54    HB2  ASP   7           HB2      ASP   7  -0.675   6.695  -2.826
   55    HB3  ASP   7           HB1      ASP   7  -0.185   5.924  -1.322
   56    H    VAL   8           HN       VAL   8  -2.355   3.434  -1.153
   57    HA   VAL   8           HA       VAL   8  -0.533   2.263   0.623
   58    HB   VAL   8           HB       VAL   8  -2.926   2.681   1.131
   59   HG11  VAL   8          HG11      VAL   8  -4.634   1.026   0.546
   60   HG12  VAL   8          HG12      VAL   8  -3.470   0.201  -0.491
   61   HG13  VAL   8          HG13      VAL   8  -3.985   1.843  -0.876
   62   HG21  VAL   8          HG21      VAL   8  -2.050  -0.153   1.668
   63   HG22  VAL   8          HG22      VAL   8  -3.274   0.745   2.567
   64   HG23  VAL   8          HG23      VAL   8  -1.590   1.270   2.604
   65    H    GLY   9           HN       GLY   9  -1.699   1.074  -2.444
   66    HA2  GLY   9           HA2      GLY   9  -1.042  -1.679  -2.102
   67    HA3  GLY   9           HA1      GLY   9  -1.328  -0.866  -3.628
   68    H    SER  10           HN       SER  10   0.948   1.046  -2.582
   69    HA   SER  10           HA       SER  10   3.213  -0.698  -3.287
   70    HB2  SER  10           HB2      SER  10   4.175   1.243  -4.560
   71    HB3  SER  10           HB1      SER  10   2.714   0.561  -5.275
   72    HG   SER  10           HG       SER  10   2.164   2.614  -5.251
   73    H    ASN  11           HN       ASN  11   1.964   1.915  -1.378
   74    HA   ASN  11           HA       ASN  11   4.241   3.157  -0.396
   75    HB2  ASN  11           HB2      ASN  11   1.702   3.638   0.005
   76    HB3  ASN  11           HB1      ASN  11   1.905   2.603   1.412
   77   HD21  ASN  11          HD21      ASN  11   1.592   4.165   2.924
   78   HD22  ASN  11          HD22      ASN  11   2.679   5.482   3.185
   79    H    LYS  12           HN       LYS  12   2.556   0.321   1.000
   80    HA   LYS  12           HA       LYS  12   4.311  -0.142   3.142
   81    HB2  LYS  12           HB2      LYS  12   2.434  -1.943   1.629
   82    HB3  LYS  12           HB1      LYS  12   3.429  -2.555   2.944
   83    HG2  LYS  12           HG2      LYS  12   2.404  -0.913   4.461
   84    HG3  LYS  12           HG1      LYS  12   1.378  -0.355   3.139
   85    HD2  LYS  12           HD2      LYS  12   1.317  -3.259   3.624
   86    HD3  LYS  12           HD1      LYS  12   0.662  -2.271   4.930
   87    HE2  LYS  12           HE2      LYS  12  -0.848  -1.177   3.361
   88    HE3  LYS  12           HE1      LYS  12  -0.173  -2.121   2.034
   89    HZ1  LYS  12           HZ1      LYS  12  -2.250  -3.064   2.820
   90    HZ2  LYS  12           HZ2      LYS  12  -1.621  -3.224   4.382
   91    HZ3  LYS  12           HZ3      LYS  12  -0.971  -4.133   3.112
   92    H    GLY  13           HN       GLY  13   4.183  -1.684  -0.067
   93    HA2  GLY  13           HA2      GLY  13   6.480  -3.280   0.131
   94    HA3  GLY  13           HA1      GLY  13   5.764  -2.713  -1.368
   95    H    ALA  14           HN       ALA  14   6.098   0.114  -0.673
   96    HA   ALA  14           HA       ALA  14   8.794   0.479  -1.599
   97    HB1  ALA  14           HB1      ALA  14   6.752   2.539  -0.767
   98    HB2  ALA  14           HB2      ALA  14   6.967   1.902  -2.398
   99    HB3  ALA  14           HB3      ALA  14   8.249   2.852  -1.646
  100    H    ILE  15           HN       ILE  15   7.026   1.214   1.432
  101    HA   ILE  15           HA       ILE  15   9.296   2.380   2.715
  102    HB   ILE  15           HB       ILE  15   8.017   2.200   4.849
  103   HG12  ILE  15          HG12      ILE  15   5.456   1.649   3.562
  104   HG13  ILE  15          HG11      ILE  15   6.527   0.250   3.553
  105   HG21  ILE  15          HG21      ILE  15   6.606   3.499   2.527
  106   HG22  ILE  15          HG22      ILE  15   7.911   4.191   3.490
  107   HG23  ILE  15          HG23      ILE  15   6.340   3.879   4.228
  108   HD11  ILE  15          HD11      ILE  15   6.764   0.424   5.976
  109   HD12  ILE  15          HD12      ILE  15   5.076   0.243   5.500
  110   HD13  ILE  15          HD13      ILE  15   5.692   1.824   5.980
  111    H    ILE  16           HN       ILE  16   7.999  -0.928   2.634
  112    HA   ILE  16           HA       ILE  16   9.734  -1.877   4.712
  113    HB   ILE  16           HB       ILE  16   9.202  -4.178   3.935
  114   HG12  ILE  16          HG12      ILE  16   7.038  -3.975   2.272
  115   HG13  ILE  16          HG11      ILE  16   8.098  -2.730   1.617
  116   HG21  ILE  16          HG21      ILE  16   6.829  -4.120   4.545
  117   HG22  ILE  16          HG22      ILE  16   6.832  -2.369   4.341
  118   HG23  ILE  16          HG23      ILE  16   7.821  -3.112   5.598
  119   HD11  ILE  16          HD11      ILE  16   8.814  -5.625   2.020
  120   HD12  ILE  16          HD12      ILE  16   9.876  -4.380   1.362
  121   HD13  ILE  16          HD13      ILE  16   8.420  -4.853   0.485
  122    H    GLY  17           HN       GLY  17   9.883  -1.921   1.175
  123    HA2  GLY  17           HA2      GLY  17  12.415  -3.223   0.976
  124    HA3  GLY  17           HA1      GLY  17  11.591  -2.346  -0.304
  125    H    LEU  18           HN       LEU  18  11.411   0.188   0.802
  126    HA   LEU  18           HA       LEU  18  12.502   2.161   0.982
  127    HB2  LEU  18           HB2      LEU  18  13.459   0.689   3.045
  128    HB3  LEU  18           HB1      LEU  18  14.953   1.012   2.200
  129    HG   LEU  18           HG       LEU  18  14.648   2.605   3.993
  130   HD11  LEU  18          HD11      LEU  18  15.780   3.443   2.025
  131   HD12  LEU  18          HD12      LEU  18  14.840   4.720   2.796
  132   HD13  LEU  18          HD13      LEU  18  14.239   3.946   1.330
  133   HD21  LEU  18          HD21      LEU  18  12.156   3.642   2.673
  134   HD22  LEU  18          HD22      LEU  18  12.815   4.054   4.255
  135   HD23  LEU  18          HD23      LEU  18  12.124   2.456   3.978
  Start of MODEL    7
    1    H1   LEU   1           HT1      LEU   1  -6.873   7.002  10.625
    2    H2   LEU   1           HT2      LEU   1  -6.522   6.079   9.251
    3    H3   LEU   1           HT3      LEU   1  -5.328   6.340  10.420
    4    HA   LEU   1           HA       LEU   1  -6.530   5.077  12.034
    5    HB2  LEU   1           HB2      LEU   1  -8.549   3.788  11.299
    6    HB3  LEU   1           HB1      LEU   1  -8.789   5.513  11.451
    7    HG   LEU   1           HG       LEU   1  -8.151   4.442   8.741
    8   HD11  LEU   1          HD11      LEU   1 -10.514   3.925   8.347
    9   HD12  LEU   1          HD12      LEU   1 -10.848   4.175  10.060
   10   HD13  LEU   1          HD13      LEU   1  -9.799   2.852   9.549
   11   HD21  LEU   1          HD21      LEU   1 -10.035   6.575   9.749
   12   HD22  LEU   1          HD22      LEU   1  -9.679   6.220   8.059
   13   HD23  LEU   1          HD23      LEU   1  -8.412   6.848   9.113
   14    H    VAL   2           HN       VAL   2  -6.287   4.301   8.577
   15    HA   VAL   2           HA       VAL   2  -4.859   1.844   9.325
   16    HB   VAL   2           HB       VAL   2  -7.149   1.589   8.210
   17   HG11  VAL   2          HG11      VAL   2  -7.257   1.706   5.768
   18   HG12  VAL   2          HG12      VAL   2  -5.655   2.441   5.740
   19   HG13  VAL   2          HG13      VAL   2  -6.999   3.288   6.503
   20   HG21  VAL   2          HG21      VAL   2  -5.365  -0.187   8.360
   21   HG22  VAL   2          HG22      VAL   2  -4.963   0.202   6.688
   22   HG23  VAL   2          HG23      VAL   2  -6.569  -0.396   7.090
   23    H    PHE   3           HN       PHE   3  -3.800   1.270   6.671
   24    HA   PHE   3           HA       PHE   3  -2.168   3.628   6.055
   25    HB2  PHE   3           HB2      PHE   3  -1.122   0.876   6.733
   26    HB3  PHE   3           HB1      PHE   3  -0.159   2.085   5.891
   27    HD1  PHE   3           HD1      PHE   3   0.649   4.057   7.041
   28    HD2  PHE   3           HD2      PHE   3  -1.667   1.120   9.074
   29    HE1  PHE   3           HE1      PHE   3   1.332   5.017   9.201
   30    HE2  PHE   3           HE2      PHE   3  -0.989   2.076  11.236
   31    HZ   PHE   3           HZ       PHE   3   0.512   4.028  11.301
   32    H    PHE   4           HN       PHE   4  -3.827   0.806   5.031
   33    HA   PHE   4           HA       PHE   4  -2.619   0.329   2.527
   34    HB2  PHE   4           HB2      PHE   4  -4.298  -1.116   3.883
   35    HB3  PHE   4           HB1      PHE   4  -5.537  -0.172   3.064
   36    HD1  PHE   4           HD2      PHE   4  -5.859  -0.375   0.650
   37    HD2  PHE   4           HD1      PHE   4  -3.001  -2.759   2.714
   38    HE1  PHE   4           HE2      PHE   4  -5.726  -1.886  -1.287
   39    HE2  PHE   4           HE1      PHE   4  -2.862  -4.274   0.780
   40    HZ   PHE   4           HZ       PHE   4  -4.226  -3.838  -1.223
   41    H    ALA   5           HN       ALA   5  -5.470   2.283   3.413
   42    HA   ALA   5           HA       ALA   5  -6.238   3.115   0.854
   43    HB1  ALA   5           HB1      ALA   5  -7.640   3.340   2.850
   44    HB2  ALA   5           HB2      ALA   5  -7.498   4.861   1.968
   45    HB3  ALA   5           HB3      ALA   5  -6.573   4.610   3.449
   46    H    GLU   6           HN       GLU   6  -3.635   4.226   2.867
   47    HA   GLU   6           HA       GLU   6  -3.199   6.592   1.201
   48    HB2  GLU   6           HB2      GLU   6  -3.064   6.461   3.841
   49    HB3  GLU   6           HB1      GLU   6  -1.440   5.875   3.520
   50    HG2  GLU   6           HG2      GLU   6  -2.432   8.445   2.332
   51    HG3  GLU   6           HG1      GLU   6  -1.773   8.377   3.964
   52    H    ASP   7           HN       ASP   7  -1.380   3.751   2.411
   53    HA   ASP   7           HA       ASP   7   0.836   4.150   0.660
   54    HB2  ASP   7           HB2      ASP   7   0.052   1.685   2.226
   55    HB3  ASP   7           HB1      ASP   7   1.594   1.938   1.414
   56    H    VAL   8           HN       VAL   8  -2.249   2.911   0.102
   57    HA   VAL   8           HA       VAL   8  -3.174   1.447  -1.417
   58    HB   VAL   8           HB       VAL   8  -2.934   2.438  -3.761
   59   HG11  VAL   8          HG11      VAL   8  -4.249   4.413  -3.142
   60   HG12  VAL   8          HG12      VAL   8  -3.775   4.189  -1.459
   61   HG13  VAL   8          HG13      VAL   8  -4.760   2.970  -2.268
   62   HG21  VAL   8          HG21      VAL   8  -1.335   4.518  -2.255
   63   HG22  VAL   8          HG22      VAL   8  -1.951   4.685  -3.900
   64   HG23  VAL   8          HG23      VAL   8  -0.727   3.468  -3.536
   65    H    GLY   9           HN       GLY   9  -1.335   1.766  -4.180
   66    HA2  GLY   9           HA2      GLY   9  -0.756  -1.019  -4.332
   67    HA3  GLY   9           HA1      GLY   9  -0.293   0.202  -5.502
   68    H    SER  10           HN       SER  10   0.997   1.520  -2.929
   69    HA   SER  10           HA       SER  10   3.634   0.456  -3.418
   70    HB2  SER  10           HB2      SER  10   2.645   2.652  -1.576
   71    HB3  SER  10           HB1      SER  10   4.344   2.248  -1.803
   72    HG   SER  10           HG       SER  10   4.051   3.786  -3.275
   73    H    ASN  11           HN       ASN  11   1.550   0.842  -0.545
   74    HA   ASN  11           HA       ASN  11   1.575  -0.119   1.537
   75    HB2  ASN  11           HB2      ASN  11   0.596  -1.795  -0.294
   76    HB3  ASN  11           HB1      ASN  11   1.922  -2.795   0.288
   77   HD21  ASN  11          HD21      ASN  11   1.808  -3.701   2.296
   78   HD22  ASN  11          HD22      ASN  11   0.406  -3.618   3.301
   79    H    LYS  12           HN       LYS  12   2.614  -2.431   2.627
   80    HA   LYS  12           HA       LYS  12   5.040  -1.699   3.675
   81    HB2  LYS  12           HB2      LYS  12   3.821  -4.429   3.319
   82    HB3  LYS  12           HB1      LYS  12   5.333  -4.187   4.182
   83    HG2  LYS  12           HG2      LYS  12   4.195  -2.722   5.773
   84    HG3  LYS  12           HG1      LYS  12   2.677  -2.960   4.904
   85    HD2  LYS  12           HD2      LYS  12   2.778  -5.356   5.388
   86    HD3  LYS  12           HD1      LYS  12   4.298  -5.120   6.252
   87    HE2  LYS  12           HE2      LYS  12   3.155  -3.661   7.851
   88    HE3  LYS  12           HE1      LYS  12   1.638  -3.900   6.986
   89    HZ1  LYS  12           HZ1      LYS  12   1.788  -5.332   8.925
   90    HZ2  LYS  12           HZ2      LYS  12   3.212  -6.029   8.333
   91    HZ3  LYS  12           HZ3      LYS  12   1.753  -6.256   7.507
   92    H    GLY  13           HN       GLY  13   4.432  -3.757   0.861
   93    HA2  GLY  13           HA2      GLY  13   6.953  -4.685   0.223
   94    HA3  GLY  13           HA1      GLY  13   5.697  -4.349  -0.954
   95    H    ALA  14           HN       ALA  14   5.545  -1.527  -0.665
   96    HA   ALA  14           HA       ALA  14   8.073  -0.783  -1.930
   97    HB1  ALA  14           HB1      ALA  14   5.333   0.345  -1.923
   98    HB2  ALA  14           HB2      ALA  14   6.423   0.044  -3.274
   99    HB3  ALA  14           HB3      ALA  14   6.680   1.440  -2.225
  100    H    ILE  15           HN       ILE  15   6.108  -0.030   0.927
  101    HA   ILE  15           HA       ILE  15   7.550   2.234   1.796
  102    HB   ILE  15           HB       ILE  15   5.970   0.276   3.471
  103   HG12  ILE  15          HG12      ILE  15   4.524   1.298   1.824
  104   HG13  ILE  15          HG11      ILE  15   4.170   2.000   3.392
  105   HG21  ILE  15          HG21      ILE  15   7.468   1.511   4.913
  106   HG22  ILE  15          HG22      ILE  15   5.806   2.044   5.167
  107   HG23  ILE  15          HG23      ILE  15   6.916   3.038   4.222
  108   HD11  ILE  15          HD11      ILE  15   5.620   3.273   1.081
  109   HD12  ILE  15          HD12      ILE  15   5.593   3.969   2.701
  110   HD13  ILE  15          HD13      ILE  15   4.087   3.755   1.809
  111    H    ILE  16           HN       ILE  16   8.270  -1.247   2.283
  112    HA   ILE  16           HA       ILE  16  10.384  -0.536   4.154
  113    HB   ILE  16           HB       ILE  16  10.796  -2.740   4.645
  114   HG12  ILE  16          HG12      ILE  16  11.288  -3.633   2.416
  115   HG13  ILE  16          HG11      ILE  16  10.283  -4.735   3.337
  116   HG21  ILE  16          HG21      ILE  16   8.655  -3.889   4.975
  117   HG22  ILE  16          HG22      ILE  16   7.885  -2.709   3.915
  118   HG23  ILE  16          HG23      ILE  16   8.620  -2.186   5.431
  119   HD11  ILE  16          HD11      ILE  16   9.671  -4.639   0.972
  120   HD12  ILE  16          HD12      ILE  16   9.312  -2.921   1.136
  121   HD13  ILE  16          HD13      ILE  16   8.351  -4.109   2.015
  122    H    GLY  17           HN       GLY  17  10.072  -1.432   0.791
  123    HA2  GLY  17           HA2      GLY  17  12.851  -1.730   0.219
  124    HA3  GLY  17           HA1      GLY  17  11.566  -1.507  -0.955
  125    H    LEU  18           HN       LEU  18  10.572   0.974  -0.121
  126    HA   LEU  18           HA       LEU  18  12.858   2.796  -0.346
  127    HB2  LEU  18           HB2      LEU  18  11.571   4.166  -2.004
  128    HB3  LEU  18           HB1      LEU  18  12.150   2.628  -2.606
  129    HG   LEU  18           HG       LEU  18   9.348   2.742  -1.587
  130   HD11  LEU  18          HD11      LEU  18   9.499   4.773  -2.913
  131   HD12  LEU  18          HD12      LEU  18   8.548   3.551  -3.759
  132   HD13  LEU  18          HD13      LEU  18  10.213   3.867  -4.248
  133   HD21  LEU  18          HD21      LEU  18  10.668   1.371  -3.931
  134   HD22  LEU  18          HD22      LEU  18   8.994   1.159  -3.418
  135   HD23  LEU  18          HD23      LEU  18  10.311   0.635  -2.368
  Start of MODEL    8
    1    H1   LEU   1           HT1      LEU   1 -12.677  -0.154   4.105
    2    H2   LEU   1           HT2      LEU   1 -13.120  -1.209   2.860
    3    H3   LEU   1           HT3      LEU   1 -14.149   0.059   3.299
    4    HA   LEU   1           HA       LEU   1 -11.456   0.346   2.102
    5    HB2  LEU   1           HB2      LEU   1 -14.242   0.607   0.972
    6    HB3  LEU   1           HB1      LEU   1 -12.883   1.414   0.229
    7    HG   LEU   1           HG       LEU   1 -13.417  -0.601  -0.989
    8   HD11  LEU   1          HD11      LEU   1 -10.878  -1.180   0.507
    9   HD12  LEU   1          HD12      LEU   1 -11.023   0.081  -0.716
   10   HD13  LEU   1          HD13      LEU   1 -11.292  -1.606  -1.153
   11   HD21  LEU   1          HD21      LEU   1 -13.394  -2.800  -0.090
   12   HD22  LEU   1          HD22      LEU   1 -14.452  -1.823   0.929
   13   HD23  LEU   1          HD23      LEU   1 -12.824  -2.222   1.476
   14    H    VAL   2           HN       VAL   2 -10.542   2.028   3.098
   15    HA   VAL   2           HA       VAL   2 -12.097   4.518   3.313
   16    HB   VAL   2           HB       VAL   2 -10.025   3.889   5.410
   17   HG11  VAL   2          HG11      VAL   2 -10.882   6.204   5.117
   18   HG12  VAL   2          HG12      VAL   2 -11.193   5.532   6.718
   19   HG13  VAL   2          HG13      VAL   2 -12.493   5.619   5.530
   20   HG21  VAL   2          HG21      VAL   2 -11.600   2.029   5.549
   21   HG22  VAL   2          HG22      VAL   2 -12.950   3.161   5.618
   22   HG23  VAL   2          HG23      VAL   2 -11.780   3.106   6.935
   23    H    PHE   3           HN       PHE   3  -8.718   3.409   3.829
   24    HA   PHE   3           HA       PHE   3  -7.801   5.208   1.723
   25    HB2  PHE   3           HB2      PHE   3  -5.996   6.136   3.205
   26    HB3  PHE   3           HB1      PHE   3  -7.620   6.671   3.611
   27    HD1  PHE   3           HD2      PHE   3  -4.779   4.607   4.667
   28    HD2  PHE   3           HD1      PHE   3  -8.644   6.055   5.698
   29    HE1  PHE   3           HE2      PHE   3  -4.424   3.885   6.992
   30    HE2  PHE   3           HE1      PHE   3  -8.297   5.336   8.026
   31    HZ   PHE   3           HZ       PHE   3  -6.185   4.249   8.675
   32    H    PHE   4           HN       PHE   4  -7.421   2.376   3.612
   33    HA   PHE   4           HA       PHE   4  -4.746   1.693   3.220
   34    HB2  PHE   4           HB2      PHE   4  -6.613   0.572   4.653
   35    HB3  PHE   4           HB1      PHE   4  -6.900  -0.395   3.211
   36    HD1  PHE   4           HD1      PHE   4  -5.272  -2.018   2.456
   37    HD2  PHE   4           HD2      PHE   4  -4.583   0.323   5.942
   38    HE1  PHE   4           HE1      PHE   4  -3.451  -3.539   3.112
   39    HE2  PHE   4           HE2      PHE   4  -2.761  -1.193   6.605
   40    HZ   PHE   4           HZ       PHE   4  -2.193  -3.127   5.189
   41    H    ALA   5           HN       ALA   5  -7.565   0.991   1.163
   42    HA   ALA   5           HA       ALA   5  -6.356  -0.657  -0.739
   43    HB1  ALA   5           HB1      ALA   5  -8.231  -0.065  -2.197
   44    HB2  ALA   5           HB2      ALA   5  -8.654   1.256  -1.107
   45    HB3  ALA   5           HB3      ALA   5  -8.759  -0.414  -0.551
   46    H    GLU   6           HN       GLU   6  -6.472   2.868  -0.561
   47    HA   GLU   6           HA       GLU   6  -5.113   3.132  -3.122
   48    HB2  GLU   6           HB2      GLU   6  -5.273   5.616  -2.642
   49    HB3  GLU   6           HB1      GLU   6  -6.795   4.770  -2.850
   50    HG2  GLU   6           HG2      GLU   6  -7.126   4.751  -0.433
   51    HG3  GLU   6           HG1      GLU   6  -5.580   5.569  -0.208
   52    H    ASP   7           HN       ASP   7  -4.454   3.580   0.319
   53    HA   ASP   7           HA       ASP   7  -1.857   4.704   0.001
   54    HB2  ASP   7           HB2      ASP   7  -3.346   3.504   2.308
   55    HB3  ASP   7           HB1      ASP   7  -1.635   3.890   2.463
   56    H    VAL   8           HN       VAL   8  -3.046   1.404   0.118
   57    HA   VAL   8           HA       VAL   8  -0.641   0.081   0.766
   58    HB   VAL   8           HB       VAL   8  -2.914  -0.948   0.863
   59   HG11  VAL   8          HG11      VAL   8  -3.870  -2.001  -1.130
   60   HG12  VAL   8          HG12      VAL   8  -2.642  -1.222  -2.126
   61   HG13  VAL   8          HG13      VAL   8  -3.830  -0.243  -1.264
   62   HG21  VAL   8          HG21      VAL   8  -2.214  -3.207   0.137
   63   HG22  VAL   8          HG22      VAL   8  -0.994  -2.367   1.093
   64   HG23  VAL   8          HG23      VAL   8  -0.814  -2.483  -0.656
   65    H    GLY   9           HN       GLY   9  -1.780   1.419  -2.248
   66    HA2  GLY   9           HA2      GLY   9  -0.048  -0.001  -4.011
   67    HA3  GLY   9           HA1      GLY   9  -0.907   1.484  -4.376
   68    H    SER  10           HN       SER  10   0.626   2.474  -1.774
   69    HA   SER  10           HA       SER  10   3.204   2.984  -3.095
   70    HB2  SER  10           HB2      SER  10   1.645   4.937  -3.349
   71    HB3  SER  10           HB1      SER  10   1.627   5.088  -1.593
   72    HG   SER  10           HG       SER  10   4.086   5.101  -1.987
   73    H    ASN  11           HN       ASN  11   1.430   3.260   0.009
   74    HA   ASN  11           HA       ASN  11   3.640   3.554   1.698
   75    HB2  ASN  11           HB2      ASN  11   1.075   3.753   2.176
   76    HB3  ASN  11           HB1      ASN  11   1.205   2.051   2.605
   77   HD21  ASN  11          HD21      ASN  11   2.087   5.298   3.446
   78   HD22  ASN  11          HD22      ASN  11   2.664   4.949   5.036
   79    H    LYS  12           HN       LYS  12   1.887   0.554   0.841
   80    HA   LYS  12           HA       LYS  12   3.501  -1.246   2.267
   81    HB2  LYS  12           HB2      LYS  12   1.207  -1.562   1.007
   82    HB3  LYS  12           HB1      LYS  12   2.237  -2.039  -0.333
   83    HG2  LYS  12           HG2      LYS  12   1.774  -4.071   0.641
   84    HG3  LYS  12           HG1      LYS  12   3.302  -3.655   1.417
   85    HD2  LYS  12           HD2      LYS  12   2.058  -2.788   3.359
   86    HD3  LYS  12           HD1      LYS  12   0.544  -3.248   2.580
   87    HE2  LYS  12           HE2      LYS  12   2.739  -5.221   3.157
   88    HE3  LYS  12           HE1      LYS  12   1.468  -4.851   4.320
   89    HZ1  LYS  12           HZ1      LYS  12   1.038  -5.914   1.578
   90    HZ2  LYS  12           HZ2      LYS  12  -0.175  -5.575   2.708
   91    HZ3  LYS  12           HZ3      LYS  12   0.938  -6.812   3.008
   92    H    GLY  13           HN       GLY  13   3.595  -0.307  -1.170
   93    HA2  GLY  13           HA2      GLY  13   5.878  -1.735  -1.950
   94    HA3  GLY  13           HA1      GLY  13   5.261  -0.296  -2.743
   95    H    ALA  14           HN       ALA  14   5.543   1.397  -0.380
   96    HA   ALA  14           HA       ALA  14   8.297   2.145  -0.691
   97    HB1  ALA  14           HB1      ALA  14   6.207   3.261   1.176
   98    HB2  ALA  14           HB2      ALA  14   6.538   3.831  -0.459
   99    HB3  ALA  14           HB3      ALA  14   7.763   3.999   0.797
  100    H    ILE  15           HN       ILE  15   6.325   0.818   1.992
  101    HA   ILE  15           HA       ILE  15   8.502   0.762   3.838
  102    HB   ILE  15           HB       ILE  15   7.080  -0.697   5.272
  103   HG12  ILE  15          HG12      ILE  15   4.617  -0.187   3.788
  104   HG13  ILE  15          HG11      ILE  15   5.696  -1.299   2.948
  105   HG21  ILE  15          HG21      ILE  15   7.053   1.704   5.520
  106   HG22  ILE  15          HG22      ILE  15   5.437   1.049   5.794
  107   HG23  ILE  15          HG23      ILE  15   5.819   1.846   4.267
  108   HD11  ILE  15          HD11      ILE  15   4.598  -1.600   5.734
  109   HD12  ILE  15          HD12      ILE  15   5.782  -2.681   4.998
  110   HD13  ILE  15          HD13      ILE  15   4.165  -2.544   4.309
  111    H    ILE  16           HN       ILE  16   7.227  -1.632   1.542
  112    HA   ILE  16           HA       ILE  16   8.825  -3.776   2.588
  113    HB   ILE  16           HB       ILE  16   8.346  -5.004   0.484
  114   HG12  ILE  16          HG12      ILE  16   6.302  -3.680  -0.770
  115   HG13  ILE  16          HG11      ILE  16   7.409  -2.357  -0.410
  116   HG21  ILE  16          HG21      ILE  16   5.949  -3.782   1.835
  117   HG22  ILE  16          HG22      ILE  16   6.845  -5.209   2.357
  118   HG23  ILE  16          HG23      ILE  16   5.930  -5.244   0.849
  119   HD11  ILE  16          HD11      ILE  16   7.805  -3.272  -2.624
  120   HD12  ILE  16          HD12      ILE  16   8.094  -4.865  -1.925
  121   HD13  ILE  16          HD13      ILE  16   9.197  -3.534  -1.574
  122    H    GLY  17           HN       GLY  17   9.193  -1.514  -0.111
  123    HA2  GLY  17           HA2      GLY  17  11.733  -2.472  -0.990
  124    HA3  GLY  17           HA1      GLY  17  10.988  -0.943  -1.428
  125    H    LEU  18           HN       LEU  18  10.743   0.248   1.077
  126    HA   LEU  18           HA       LEU  18  13.548   0.522   1.937
  127    HB2  LEU  18           HB2      LEU  18  11.456   2.673   1.597
  128    HB3  LEU  18           HB1      LEU  18  12.983   2.927   2.417
  129    HG   LEU  18           HG       LEU  18  13.027   1.899  -0.389
  130   HD11  LEU  18          HD11      LEU  18  11.447   3.732  -0.511
  131   HD12  LEU  18          HD12      LEU  18  12.984   4.208  -1.232
  132   HD13  LEU  18          HD13      LEU  18  12.554   4.776   0.381
  133   HD21  LEU  18          HD21      LEU  18  15.086   3.223  -0.474
  134   HD22  LEU  18          HD22      LEU  18  15.112   2.079   0.869
  135   HD23  LEU  18          HD23      LEU  18  14.794   3.785   1.173
  Start of MODEL    9
    1    H1   LEU   1           HT1      LEU   1  -1.053  12.778  -0.568
    2    H2   LEU   1           HT2      LEU   1  -0.121  14.175  -0.769
    3    H3   LEU   1           HT3      LEU   1  -0.293  13.488   0.768
    4    HA   LEU   1           HA       LEU   1   1.045  12.219  -1.545
    5    HB2  LEU   1           HB2      LEU   1   3.125  12.522  -0.177
    6    HB3  LEU   1           HB1      LEU   1   2.439  13.993  -0.829
    7    HG   LEU   1           HG       LEU   1   1.712  13.258   1.968
    8   HD11  LEU   1          HD11      LEU   1   4.389  14.398   1.178
    9   HD12  LEU   1          HD12      LEU   1   4.102  12.829   1.931
   10   HD13  LEU   1          HD13      LEU   1   3.754  14.311   2.822
   11   HD21  LEU   1          HD21      LEU   1   1.807  15.687   2.254
   12   HD22  LEU   1          HD22      LEU   1   0.752  15.240   0.913
   13   HD23  LEU   1          HD23      LEU   1   2.370  15.863   0.591
   14    H    VAL   2           HN       VAL   2  -0.750  11.672   1.200
   15    HA   VAL   2           HA       VAL   2   0.376   8.968   1.495
   16    HB   VAL   2           HB       VAL   2  -0.891  10.155   3.923
   17   HG11  VAL   2          HG11      VAL   2  -0.155   7.845   3.921
   18   HG12  VAL   2          HG12      VAL   2   0.799   8.790   5.064
   19   HG13  VAL   2          HG13      VAL   2   1.483   8.344   3.502
   20   HG21  VAL   2          HG21      VAL   2   1.363  11.029   4.674
   21   HG22  VAL   2          HG22      VAL   2   0.517  12.005   3.474
   22   HG23  VAL   2          HG23      VAL   2   1.853  10.966   2.980
   23    H    PHE   3           HN       PHE   3  -1.807   8.627   3.637
   24    HA   PHE   3           HA       PHE   3  -3.954   8.064   3.910
   25    HB2  PHE   3           HB2      PHE   3  -4.387  10.072   2.228
   26    HB3  PHE   3           HB1      PHE   3  -4.833   8.772   1.132
   27    HD1  PHE   3           HD2      PHE   3  -5.615  10.289   4.423
   28    HD2  PHE   3           HD1      PHE   3  -6.938   7.743   1.278
   29    HE1  PHE   3           HE2      PHE   3  -7.866  10.237   5.415
   30    HE2  PHE   3           HE1      PHE   3  -9.190   7.690   2.264
   31    HZ   PHE   3           HZ       PHE   3  -9.656   8.936   4.336
   32    H    PHE   4           HN       PHE   4  -5.805   6.595   2.433
   33    HA   PHE   4           HA       PHE   4  -4.598   4.067   2.409
   34    HB2  PHE   4           HB2      PHE   4  -7.259   5.037   1.384
   35    HB3  PHE   4           HB1      PHE   4  -6.789   3.341   1.350
   36    HD1  PHE   4           HD2      PHE   4  -6.614   2.058   3.394
   37    HD2  PHE   4           HD1      PHE   4  -7.749   6.159   3.468
   38    HE1  PHE   4           HE2      PHE   4  -7.401   1.794   5.711
   39    HE2  PHE   4           HE1      PHE   4  -8.537   5.903   5.784
   40    HZ   PHE   4           HZ       PHE   4  -8.364   3.718   6.908
   41    H    ALA   5           HN       ALA   5  -5.905   5.905  -0.369
   42    HA   ALA   5           HA       ALA   5  -5.219   4.170  -2.419
   43    HB1  ALA   5           HB1      ALA   5  -5.367   7.172  -2.577
   44    HB2  ALA   5           HB2      ALA   5  -6.742   6.070  -2.652
   45    HB3  ALA   5           HB3      ALA   5  -5.517   6.040  -3.921
   46    H    GLU   6           HN       GLU   6  -3.125   6.370  -0.705
   47    HA   GLU   6           HA       GLU   6  -1.013   5.973  -2.697
   48    HB2  GLU   6           HB2      GLU   6  -1.326   7.974  -0.472
   49    HB3  GLU   6           HB1      GLU   6   0.203   7.735  -1.308
   50    HG2  GLU   6           HG2      GLU   6  -0.843   8.322  -3.425
   51    HG3  GLU   6           HG1      GLU   6  -2.396   8.522  -2.614
   52    H    ASP   7           HN       ASP   7  -1.665   5.545   0.800
   53    HA   ASP   7           HA       ASP   7   0.892   4.417   1.374
   54    HB2  ASP   7           HB2      ASP   7  -0.941   5.393   2.980
   55    HB3  ASP   7           HB1      ASP   7  -1.522   3.731   3.009
   56    H    VAL   8           HN       VAL   8  -2.130   3.030   0.217
   57    HA   VAL   8           HA       VAL   8  -1.320   0.291   0.722
   58    HB   VAL   8           HB       VAL   8  -3.730   1.325  -0.809
   59   HG11  VAL   8          HG11      VAL   8  -3.172  -0.954  -1.494
   60   HG12  VAL   8          HG12      VAL   8  -4.655  -0.932  -0.539
   61   HG13  VAL   8          HG13      VAL   8  -3.142  -1.463   0.195
   62   HG21  VAL   8          HG21      VAL   8  -3.505   0.293   2.019
   63   HG22  VAL   8          HG22      VAL   8  -5.007   0.723   1.199
   64   HG23  VAL   8          HG23      VAL   8  -3.801   1.965   1.540
   65    H    GLY   9           HN       GLY   9  -1.177   2.582  -1.903
   66    HA2  GLY   9           HA2      GLY   9  -0.736   0.738  -4.035
   67    HA3  GLY   9           HA1      GLY   9  -0.366   2.454  -4.058
   68    H    SER  10           HN       SER  10   1.228   1.653  -1.446
   69    HA   SER  10           HA       SER  10   3.620   0.615  -2.802
   70    HB2  SER  10           HB2      SER  10   3.471   2.921  -0.840
   71    HB3  SER  10           HB1      SER  10   4.975   2.189  -1.391
   72    HG   SER  10           HG       SER  10   4.606   3.914  -2.710
   73    H    ASN  11           HN       ASN  11   2.034   1.219   0.323
   74    HA   ASN  11           HA       ASN  11   2.167   0.260   2.375
   75    HB2  ASN  11           HB2      ASN  11   1.369  -1.669   0.418
   76    HB3  ASN  11           HB1      ASN  11   2.255  -2.494   1.698
   77   HD21  ASN  11          HD21      ASN  11   1.446  -2.464   3.798
   78   HD22  ASN  11          HD22      ASN  11  -0.197  -2.052   4.139
   79    H    LYS  12           HN       LYS  12   3.180  -2.028   3.451
   80    HA   LYS  12           HA       LYS  12   5.720  -1.417   4.273
   81    HB2  LYS  12           HB2      LYS  12   3.962  -3.234   5.039
   82    HB3  LYS  12           HB1      LYS  12   4.960  -4.297   4.058
   83    HG2  LYS  12           HG2      LYS  12   6.908  -3.741   5.403
   84    HG3  LYS  12           HG1      LYS  12   5.938  -2.623   6.365
   85    HD2  LYS  12           HD2      LYS  12   4.525  -4.490   7.094
   86    HD3  LYS  12           HD1      LYS  12   5.504  -5.602   6.138
   87    HE2  LYS  12           HE2      LYS  12   6.292  -5.799   8.350
   88    HE3  LYS  12           HE1      LYS  12   7.487  -4.817   7.504
   89    HZ1  LYS  12           HZ1      LYS  12   6.976  -3.905   9.680
   90    HZ2  LYS  12           HZ2      LYS  12   5.338  -3.781   9.277
   91    HZ3  LYS  12           HZ3      LYS  12   6.482  -2.836   8.464
   92    H    GLY  13           HN       GLY  13   4.773  -3.610   1.659
   93    HA2  GLY  13           HA2      GLY  13   7.202  -4.686   0.893
   94    HA3  GLY  13           HA1      GLY  13   5.840  -4.437  -0.182
   95    H    ALA  14           HN       ALA  14   5.720  -1.662  -0.380
   96    HA   ALA  14           HA       ALA  14   8.134  -1.188  -1.934
   97    HB1  ALA  14           HB1      ALA  14   6.812   1.002  -2.474
   98    HB2  ALA  14           HB2      ALA  14   5.459   0.086  -1.810
   99    HB3  ALA  14           HB3      ALA  14   6.346  -0.537  -3.198
  100    H    ILE  15           HN       ILE  15   6.452   0.280   0.879
  101    HA   ILE  15           HA       ILE  15   8.216   2.471   1.135
  102    HB   ILE  15           HB       ILE  15   5.929   2.264   2.204
  103   HG12  ILE  15          HG12      ILE  15   7.597   3.153   4.446
  104   HG13  ILE  15          HG11      ILE  15   8.103   3.815   2.896
  105   HG21  ILE  15          HG21      ILE  15   6.807   1.365   4.772
  106   HG22  ILE  15          HG22      ILE  15   7.119   0.115   3.570
  107   HG23  ILE  15          HG23      ILE  15   5.488   0.757   3.769
  108   HD11  ILE  15          HD11      ILE  15   5.846   4.676   2.532
  109   HD12  ILE  15          HD12      ILE  15   6.553   5.300   4.023
  110   HD13  ILE  15          HD13      ILE  15   5.346   4.015   4.090
  111    H    ILE  16           HN       ILE  16   8.527  -0.860   2.240
  112    HA   ILE  16           HA       ILE  16  10.926  -0.193   3.779
  113    HB   ILE  16           HB       ILE  16   9.125  -2.555   3.660
  114   HG12  ILE  16          HG12      ILE  16   9.886  -2.622   6.126
  115   HG13  ILE  16          HG11      ILE  16  10.653  -1.077   5.796
  116   HG21  ILE  16          HG21      ILE  16  10.766  -4.109   4.607
  117   HG22  ILE  16          HG22      ILE  16  12.044  -2.926   4.327
  118   HG23  ILE  16          HG23      ILE  16  11.187  -3.639   2.960
  119   HD11  ILE  16          HD11      ILE  16   8.377  -0.985   6.847
  120   HD12  ILE  16          HD12      ILE  16   7.733  -1.584   5.319
  121   HD13  ILE  16          HD13      ILE  16   8.575  -0.038   5.375
  122    H    GLY  17           HN       GLY  17   9.928  -1.799   0.817
  123    HA2  GLY  17           HA2      GLY  17  12.483  -2.821   0.072
  124    HA3  GLY  17           HA1      GLY  17  11.095  -2.627  -0.984
  125    H    LEU  18           HN       LEU  18  10.922   0.289  -0.379
  126    HA   LEU  18           HA       LEU  18  13.247   1.191  -1.950
  127    HB2  LEU  18           HB2      LEU  18  10.355   2.035  -2.107
  128    HB3  LEU  18           HB1      LEU  18  11.639   3.027  -2.754
  129    HG   LEU  18           HG       LEU  18  10.604   1.834  -4.555
  130   HD11  LEU  18          HD11      LEU  18  13.110   2.072  -4.554
  131   HD12  LEU  18          HD12      LEU  18  12.445   0.835  -5.619
  132   HD13  LEU  18          HD13      LEU  18  13.184   0.372  -4.087
  133   HD21  LEU  18          HD21      LEU  18   9.589   0.006  -3.331
  134   HD22  LEU  18          HD22      LEU  18  11.175  -0.715  -3.053
  135   HD23  LEU  18          HD23      LEU  18  10.530  -0.607  -4.691
  Start of MODEL   10
    1    H1   LEU   1           HT1      LEU   1 -10.626   3.659  -1.031
    2    H2   LEU   1           HT2      LEU   1  -9.239   4.618  -0.915
    3    H3   LEU   1           HT3      LEU   1 -10.241   4.745  -2.271
    4    HA   LEU   1           HA       LEU   1 -10.548   6.605  -0.781
    5    HB2  LEU   1           HB2      LEU   1 -13.032   6.369  -0.477
    6    HB3  LEU   1           HB1      LEU   1 -12.439   6.080  -2.097
    7    HG   LEU   1           HG       LEU   1 -12.493   3.539  -1.174
    8   HD11  LEU   1          HD11      LEU   1 -14.408   3.143   0.183
    9   HD12  LEU   1          HD12      LEU   1 -14.871   4.843   0.129
   10   HD13  LEU   1          HD13      LEU   1 -13.421   4.353   1.003
   11   HD21  LEU   1          HD21      LEU   1 -14.809   5.073  -2.347
   12   HD22  LEU   1          HD22      LEU   1 -14.630   3.319  -2.356
   13   HD23  LEU   1          HD23      LEU   1 -13.488   4.327  -3.246
   14    H    VAL   2           HN       VAL   2 -11.142   3.482   0.758
   15    HA   VAL   2           HA       VAL   2 -11.389   4.774   3.366
   16    HB   VAL   2           HB       VAL   2 -13.084   3.112   2.898
   17   HG11  VAL   2          HG11      VAL   2 -11.946   1.690   1.310
   18   HG12  VAL   2          HG12      VAL   2 -12.605   0.727   2.633
   19   HG13  VAL   2          HG13      VAL   2 -10.879   1.086   2.578
   20   HG21  VAL   2          HG21      VAL   2 -12.433   3.321   5.216
   21   HG22  VAL   2          HG22      VAL   2 -11.170   2.110   4.999
   22   HG23  VAL   2          HG23      VAL   2 -12.865   1.649   4.857
   23    H    PHE   3           HN       PHE   3  -9.397   2.243   1.803
   24    HA   PHE   3           HA       PHE   3  -7.192   3.000   3.582
   25    HB2  PHE   3           HB2      PHE   3  -6.518   0.575   3.759
   26    HB3  PHE   3           HB1      PHE   3  -7.963   1.018   4.648
   27    HD1  PHE   3           HD1      PHE   3  -6.807  -0.603   1.504
   28    HD2  PHE   3           HD2      PHE   3  -9.949  -0.164   4.343
   29    HE1  PHE   3           HE1      PHE   3  -8.019  -2.462   0.445
   30    HE2  PHE   3           HE2      PHE   3 -11.166  -2.020   3.286
   31    HZ   PHE   3           HZ       PHE   3 -10.203  -3.173   1.336
   32    H    PHE   4           HN       PHE   4  -8.303   2.154   0.473
   33    HA   PHE   4           HA       PHE   4  -5.917   1.269  -0.754
   34    HB2  PHE   4           HB2      PHE   4  -8.385   1.208  -1.595
   35    HB3  PHE   4           HB1      PHE   4  -8.026   2.803  -2.245
   36    HD1  PHE   4           HD1      PHE   4  -7.354  -0.779  -2.508
   37    HD2  PHE   4           HD2      PHE   4  -6.478   3.075  -4.088
   38    HE1  PHE   4           HE1      PHE   4  -6.351  -1.825  -4.496
   39    HE2  PHE   4           HE2      PHE   4  -5.474   2.035  -6.078
   40    HZ   PHE   4           HZ       PHE   4  -5.411  -0.418  -6.285
   41    H    ALA   5           HN       ALA   5  -7.367   4.506  -0.458
   42    HA   ALA   5           HA       ALA   5  -5.447   5.918  -1.982
   43    HB1  ALA   5           HB1      ALA   5  -6.401   7.924  -0.996
   44    HB2  ALA   5           HB2      ALA   5  -7.226   6.951   0.222
   45    HB3  ALA   5           HB3      ALA   5  -7.674   6.803  -1.477
   46    H    GLU   6           HN       GLU   6  -5.425   4.746   1.271
   47    HA   GLU   6           HA       GLU   6  -3.158   6.408   2.058
   48    HB2  GLU   6           HB2      GLU   6  -4.835   4.381   3.544
   49    HB3  GLU   6           HB1      GLU   6  -3.381   5.086   4.233
   50    HG2  GLU   6           HG2      GLU   6  -5.613   6.813   3.227
   51    HG3  GLU   6           HG1      GLU   6  -5.653   6.111   4.842
   52    H    ASP   7           HN       ASP   7  -3.960   2.983   1.529
   53    HA   ASP   7           HA       ASP   7  -1.335   1.988   2.017
   54    HB2  ASP   7           HB2      ASP   7  -3.647   0.756   2.013
   55    HB3  ASP   7           HB1      ASP   7  -3.321   0.539   0.297
   56    H    VAL   8           HN       VAL   8  -2.979   3.253  -0.790
   57    HA   VAL   8           HA       VAL   8  -2.506   3.426  -3.003
   58    HB   VAL   8           HB       VAL   8  -0.344   4.572  -3.511
   59   HG11  VAL   8          HG11      VAL   8  -2.291   5.844  -2.876
   60   HG12  VAL   8          HG12      VAL   8  -0.838   6.591  -2.211
   61   HG13  VAL   8          HG13      VAL   8  -1.900   5.645  -1.168
   62   HG21  VAL   8          HG21      VAL   8   1.104   3.495  -1.836
   63   HG22  VAL   8          HG22      VAL   8   0.217   4.315  -0.553
   64   HG23  VAL   8          HG23      VAL   8   1.152   5.254  -1.716
   65    H    GLY   9           HN       GLY   9   0.201   3.141  -4.286
   66    HA2  GLY   9           HA2      GLY   9  -0.025   0.404  -5.070
   67    HA3  GLY   9           HA1      GLY   9   1.228   1.530  -5.570
   68    H    SER  10           HN       SER  10   0.191  -0.293  -2.690
   69    HA   SER  10           HA       SER  10   1.280  -1.462  -1.091
   70    HB2  SER  10           HB2      SER  10   2.155  -2.742  -3.051
   71    HB3  SER  10           HB1      SER  10   3.571  -1.691  -3.060
   72    HG   SER  10           HG       SER  10   3.240  -3.878  -1.667
   73    H    ASN  11           HN       ASN  11   1.236   0.794  -0.137
   74    HA   ASN  11           HA       ASN  11   3.471   2.449   0.046
   75    HB2  ASN  11           HB2      ASN  11   1.025   2.738   0.958
   76    HB3  ASN  11           HB1      ASN  11   1.693   2.050   2.432
   77   HD21  ASN  11          HD21      ASN  11   0.634   4.744   1.755
   78   HD22  ASN  11          HD22      ASN  11   1.874   5.848   2.231
   79    H    LYS  12           HN       LYS  12   2.507  -0.179   2.275
   80    HA   LYS  12           HA       LYS  12   4.748  -0.064   3.969
   81    HB2  LYS  12           HB2      LYS  12   2.816  -2.285   3.323
   82    HB3  LYS  12           HB1      LYS  12   4.118  -2.491   4.486
   83    HG2  LYS  12           HG2      LYS  12   3.210  -0.644   5.818
   84    HG3  LYS  12           HG1      LYS  12   1.892  -0.469   4.658
   85    HD2  LYS  12           HD2      LYS  12   1.147  -2.743   5.150
   86    HD3  LYS  12           HD1      LYS  12   2.480  -2.942   6.288
   87    HE2  LYS  12           HE2      LYS  12   0.586  -2.436   7.598
   88    HE3  LYS  12           HE1      LYS  12   1.536  -0.954   7.536
   89    HZ1  LYS  12           HZ1      LYS  12  -0.815  -0.514   7.205
   90    HZ2  LYS  12           HZ2      LYS  12  -0.850  -1.547   5.868
   91    HZ3  LYS  12           HZ3      LYS  12   0.061  -0.123   5.811
   92    H    GLY  13           HN       GLY  13   4.061  -2.137   1.155
   93    HA2  GLY  13           HA2      GLY  13   6.501  -3.546   1.097
   94    HA3  GLY  13           HA1      GLY  13   5.417  -3.325  -0.269
   95    H    ALA  14           HN       ALA  14   5.575  -0.400  -0.156
   96    HA   ALA  14           HA       ALA  14   7.949  -0.019  -1.724
   97    HB1  ALA  14           HB1      ALA  14   5.860   1.134  -2.271
   98    HB2  ALA  14           HB2      ALA  14   7.178   2.274  -2.001
   99    HB3  ALA  14           HB3      ALA  14   5.957   2.028  -0.753
  100    H    ILE  15           HN       ILE  15   6.819   1.298   1.429
  101    HA   ILE  15           HA       ILE  15   9.223   2.727   1.958
  102    HB   ILE  15           HB       ILE  15   8.427   2.927   4.314
  103   HG12  ILE  15          HG12      ILE  15   5.720   1.962   3.699
  104   HG13  ILE  15          HG11      ILE  15   6.919   0.678   3.815
  105   HG21  ILE  15          HG21      ILE  15   6.518   4.372   3.774
  106   HG22  ILE  15          HG22      ILE  15   6.455   3.666   2.160
  107   HG23  ILE  15          HG23      ILE  15   7.867   4.596   2.660
  108   HD11  ILE  15          HD11      ILE  15   7.533   1.467   6.047
  109   HD12  ILE  15          HD12      ILE  15   5.824   1.046   5.946
  110   HD13  ILE  15          HD13      ILE  15   6.317   2.739   5.926
  111    H    ILE  16           HN       ILE  16   8.124  -0.512   2.895
  112    HA   ILE  16           HA       ILE  16  10.472  -1.005   4.521
  113    HB   ILE  16           HB       ILE  16   8.395  -2.995   3.555
  114   HG12  ILE  16          HG12      ILE  16   7.273  -1.341   4.928
  115   HG13  ILE  16          HG11      ILE  16   7.412  -2.834   5.838
  116   HG21  ILE  16          HG21      ILE  16  10.436  -4.123   4.199
  117   HG22  ILE  16          HG22      ILE  16   9.174  -4.439   5.389
  118   HG23  ILE  16          HG23      ILE  16  10.450  -3.276   5.746
  119   HD11  ILE  16          HD11      ILE  16   9.322  -1.838   7.078
  120   HD12  ILE  16          HD12      ILE  16   7.803  -0.970   7.296
  121   HD13  ILE  16          HD13      ILE  16   9.040  -0.323   6.218
  122    H    GLY  17           HN       GLY  17   9.348  -1.708   1.264
  123    HA2  GLY  17           HA2      GLY  17  11.446  -3.487   0.514
  124    HA3  GLY  17           HA1      GLY  17  10.354  -2.651  -0.576
  125    H    LEU  18           HN       LEU  18  10.971   0.014   0.085
  126    HA   LEU  18           HA       LEU  18  13.837   0.286  -0.430
  127    HB2  LEU  18           HB2      LEU  18  13.358   1.984  -2.224
  128    HB3  LEU  18           HB1      LEU  18  13.030   0.320  -2.651
  129    HG   LEU  18           HG       LEU  18  10.563   1.085  -1.843
  130   HD11  LEU  18          HD11      LEU  18  10.099   3.308  -2.731
  131   HD12  LEU  18          HD12      LEU  18  11.815   3.539  -3.065
  132   HD13  LEU  18          HD13      LEU  18  11.253   3.382  -1.401
  133   HD21  LEU  18          HD21      LEU  18  11.101  -0.028  -3.935
  134   HD22  LEU  18          HD22      LEU  18  11.762   1.474  -4.582
  135   HD23  LEU  18          HD23      LEU  18  10.040   1.351  -4.224
  Start of MODEL   11
    1    H1   LEU   1           HT1      LEU   1 -12.667   4.535   0.676
    2    H2   LEU   1           HT2      LEU   1 -13.201   5.490   1.965
    3    H3   LEU   1           HT3      LEU   1 -12.358   4.055   2.268
    4    HA   LEU   1           HA       LEU   1 -10.400   4.988   1.160
    5    HB2  LEU   1           HB2      LEU   1 -12.069   7.514   1.207
    6    HB3  LEU   1           HB1      LEU   1 -10.358   7.468   0.864
    7    HG   LEU   1           HG       LEU   1 -11.425   7.749  -1.212
    8   HD11  LEU   1          HD11      LEU   1 -10.835   5.838  -2.518
    9   HD12  LEU   1          HD12      LEU   1 -10.882   4.794  -1.098
   10   HD13  LEU   1          HD13      LEU   1  -9.643   6.042  -1.233
   11   HD21  LEU   1          HD21      LEU   1 -13.269   6.462  -2.049
   12   HD22  LEU   1          HD22      LEU   1 -13.694   7.126  -0.472
   13   HD23  LEU   1          HD23      LEU   1 -13.249   5.427  -0.622
   14    H    VAL   2           HN       VAL   2  -9.083   4.813   2.837
   15    HA   VAL   2           HA       VAL   2  -9.363   6.639   5.082
   16    HB   VAL   2           HB       VAL   2  -8.877   4.690   6.707
   17   HG11  VAL   2          HG11      VAL   2 -11.275   4.329   7.059
   18   HG12  VAL   2          HG12      VAL   2 -11.604   5.042   5.479
   19   HG13  VAL   2          HG13      VAL   2 -10.894   6.023   6.761
   20   HG21  VAL   2          HG21      VAL   2 -10.113   3.148   4.420
   21   HG22  VAL   2          HG22      VAL   2 -10.008   2.558   6.079
   22   HG23  VAL   2          HG23      VAL   2  -8.537   2.870   5.160
   23    H    PHE   3           HN       PHE   3  -7.381   3.765   4.202
   24    HA   PHE   3           HA       PHE   3  -5.001   5.448   4.183
   25    HB2  PHE   3           HB2      PHE   3  -5.332   3.089   6.048
   26    HB3  PHE   3           HB1      PHE   3  -3.763   3.763   5.625
   27    HD1  PHE   3           HD1      PHE   3  -3.148   6.027   6.366
   28    HD2  PHE   3           HD2      PHE   3  -6.782   4.181   7.590
   29    HE1  PHE   3           HE1      PHE   3  -3.367   7.671   8.184
   30    HE2  PHE   3           HE2      PHE   3  -7.009   5.823   9.408
   31    HZ   PHE   3           HZ       PHE   3  -5.300   7.570   9.708
   32    H    PHE   4           HN       PHE   4  -6.063   2.024   3.975
   33    HA   PHE   4           HA       PHE   4  -3.952   1.184   2.317
   34    HB2  PHE   4           HB2      PHE   4  -5.382  -0.815   1.832
   35    HB3  PHE   4           HB1      PHE   4  -5.144  -0.482   3.539
   36    HD1  PHE   4           HD1      PHE   4  -6.993   0.235   4.934
   37    HD2  PHE   4           HD2      PHE   4  -7.552  -0.584   0.797
   38    HE1  PHE   4           HE1      PHE   4  -9.427   0.154   5.283
   39    HE2  PHE   4           HE2      PHE   4  -9.987  -0.663   1.136
   40    HZ   PHE   4           HZ       PHE   4 -10.928  -0.294   3.381
   41    H    ALA   5           HN       ALA   5  -7.241   2.234   1.476
   42    HA   ALA   5           HA       ALA   5  -7.292   1.710  -1.241
   43    HB1  ALA   5           HB1      ALA   5  -8.520   4.081   0.148
   44    HB2  ALA   5           HB2      ALA   5  -9.222   2.466   0.058
   45    HB3  ALA   5           HB3      ALA   5  -9.004   3.417  -1.411
   46    H    GLU   6           HN       GLU   6  -5.648   4.305   0.425
   47    HA   GLU   6           HA       GLU   6  -4.870   5.525  -2.122
   48    HB2  GLU   6           HB2      GLU   6  -3.939   7.373  -0.678
   49    HB3  GLU   6           HB1      GLU   6  -5.681   7.180  -0.617
   50    HG2  GLU   6           HG2      GLU   6  -5.463   6.011   1.534
   51    HG3  GLU   6           HG1      GLU   6  -3.717   6.239   1.470
   52    H    ASP   7           HN       ASP   7  -3.518   4.037   0.794
   53    HA   ASP   7           HA       ASP   7  -0.789   4.359   0.052
   54    HB2  ASP   7           HB2      ASP   7  -2.210   2.747   2.135
   55    HB3  ASP   7           HB1      ASP   7  -0.496   2.479   1.831
   56    H    VAL   8           HN       VAL   8  -3.169   2.124  -1.045
   57    HA   VAL   8           HA       VAL   8  -1.727  -0.216  -1.484
   58    HB   VAL   8           HB       VAL   8  -3.254  -0.479  -3.582
   59   HG11  VAL   8          HG11      VAL   8  -3.544  -1.714  -1.537
   60   HG12  VAL   8          HG12      VAL   8  -5.114  -1.161  -2.124
   61   HG13  VAL   8          HG13      VAL   8  -4.334  -0.333  -0.776
   62   HG21  VAL   8          HG21      VAL   8  -5.318   0.849  -3.476
   63   HG22  VAL   8          HG22      VAL   8  -3.912   1.854  -3.823
   64   HG23  VAL   8          HG23      VAL   8  -4.608   1.844  -2.204
   65    H    GLY   9           HN       GLY   9  -1.229   2.790  -3.068
   66    HA2  GLY   9           HA2      GLY   9  -0.201   1.845  -5.555
   67    HA3  GLY   9           HA1      GLY   9   0.054   3.440  -4.869
   68    H    SER  10           HN       SER  10   1.191   2.167  -2.386
   69    HA   SER  10           HA       SER  10   3.718   1.070  -3.377
   70    HB2  SER  10           HB2      SER  10   3.472   3.509  -1.594
   71    HB3  SER  10           HB1      SER  10   4.979   2.635  -1.851
   72    HG   SER  10           HG       SER  10   4.631   3.070  -4.144
   73    H    ASN  11           HN       ASN  11   1.774   1.953  -0.554
   74    HA   ASN  11           HA       ASN  11   1.668   1.197   1.586
   75    HB2  ASN  11           HB2      ASN  11   0.798  -1.112   1.717
   76    HB3  ASN  11           HB1      ASN  11   0.054  -0.184   0.425
   77   HD21  ASN  11          HD21      ASN  11   2.163  -2.821   1.220
   78   HD22  ASN  11          HD22      ASN  11   2.211  -3.529  -0.355
   79    H    LYS  12           HN       LYS  12   2.229  -1.168   2.882
   80    HA   LYS  12           HA       LYS  12   4.710  -0.818   3.974
   81    HB2  LYS  12           HB2      LYS  12   2.668  -2.441   4.534
   82    HB3  LYS  12           HB1      LYS  12   3.727  -3.621   3.778
   83    HG2  LYS  12           HG2      LYS  12   4.335  -3.839   5.977
   84    HG3  LYS  12           HG1      LYS  12   5.507  -2.640   5.434
   85    HD2  LYS  12           HD2      LYS  12   4.063  -0.851   6.313
   86    HD3  LYS  12           HD1      LYS  12   2.916  -2.068   6.877
   87    HE2  LYS  12           HE2      LYS  12   4.611  -2.999   8.357
   88    HE3  LYS  12           HE1      LYS  12   5.788  -1.827   7.766
   89    HZ1  LYS  12           HZ1      LYS  12   4.413  -0.051   8.656
   90    HZ2  LYS  12           HZ2      LYS  12   4.840  -1.140   9.877
   91    HZ3  LYS  12           HZ3      LYS  12   3.282  -1.174   9.221
   92    H    GLY  13           HN       GLY  13   3.843  -3.030   1.342
   93    HA2  GLY  13           HA2      GLY  13   6.210  -4.375   0.907
   94    HA3  GLY  13           HA1      GLY  13   5.032  -4.016  -0.340
   95    H    ALA  14           HN       ALA  14   5.270  -1.222  -0.547
   96    HA   ALA  14           HA       ALA  14   7.889  -1.078  -1.816
   97    HB1  ALA  14           HB1      ALA  14   6.909   1.242  -2.529
   98    HB2  ALA  14           HB2      ALA  14   5.387   0.500  -2.037
   99    HB3  ALA  14           HB3      ALA  14   6.361  -0.248  -3.299
  100    H    ILE  15           HN       ILE  15   6.080   0.635   0.777
  101    HA   ILE  15           HA       ILE  15   8.098   2.592   1.189
  102    HB   ILE  15           HB       ILE  15   7.063   3.153   3.323
  103   HG12  ILE  15          HG12      ILE  15   4.849   1.193   2.973
  104   HG13  ILE  15          HG11      ILE  15   6.362   0.584   3.639
  105   HG21  ILE  15          HG21      ILE  15   6.145   4.103   1.302
  106   HG22  ILE  15          HG22      ILE  15   4.852   3.801   2.463
  107   HG23  ILE  15          HG23      ILE  15   5.081   2.711   1.096
  108   HD11  ILE  15          HD11      ILE  15   4.684   2.820   4.761
  109   HD12  ILE  15          HD12      ILE  15   6.230   2.277   5.417
  110   HD13  ILE  15          HD13      ILE  15   4.842   1.188   5.414
  111    H    ILE  16           HN       ILE  16   7.846  -0.715   2.335
  112    HA   ILE  16           HA       ILE  16   9.973  -0.294   4.277
  113    HB   ILE  16           HB       ILE  16   7.984  -1.935   4.587
  114   HG12  ILE  16          HG12      ILE  16   9.677  -3.622   5.730
  115   HG13  ILE  16          HG11      ILE  16  10.843  -2.370   5.318
  116   HG21  ILE  16          HG21      ILE  16   9.802  -3.737   2.996
  117   HG22  ILE  16          HG22      ILE  16   8.182  -3.213   2.537
  118   HG23  ILE  16          HG23      ILE  16   8.406  -4.260   3.939
  119   HD11  ILE  16          HD11      ILE  16  10.034  -2.090   7.582
  120   HD12  ILE  16          HD12      ILE  16   8.372  -2.009   7.000
  121   HD13  ILE  16          HD13      ILE  16   9.518  -0.738   6.574
  122    H    GLY  17           HN       GLY  17   9.506  -1.755   1.107
  123    HA2  GLY  17           HA2      GLY  17  12.127  -2.837   0.812
  124    HA3  GLY  17           HA1      GLY  17  10.962  -2.573  -0.473
  125    H    LEU  18           HN       LEU  18  10.665   0.266  -0.055
  126    HA   LEU  18           HA       LEU  18  11.490   2.251  -0.763
  127    HB2  LEU  18           HB2      LEU  18  13.109   1.716   1.190
  128    HB3  LEU  18           HB1      LEU  18  14.282   1.374  -0.065
  129    HG   LEU  18           HG       LEU  18  13.646   3.788  -0.905
  130   HD11  LEU  18          HD11      LEU  18  11.826   4.156   0.668
  131   HD12  LEU  18          HD12      LEU  18  13.132   5.308   0.946
  132   HD13  LEU  18          HD13      LEU  18  12.930   3.925   2.023
  133   HD21  LEU  18          HD21      LEU  18  15.373   3.275   1.513
  134   HD22  LEU  18          HD22      LEU  18  15.457   4.698   0.475
  135   HD23  LEU  18          HD23      LEU  18  15.860   3.109  -0.174