*HEADER    HORMONE                                 05-MAR-15   2N0E              
*TITLE     NMR STRUCTURE OF NEUROMEDIN C IN 40% TFE                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GASTRIN-RELEASING PEPTIDE;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 41-50;                                        
*COMPND   5 SYNONYM: GRP, NEUROMEDIN-C, GRP-10;                                  
*COMPND   6 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                                                 
*KEYWDS    NEUROPEPTIDE, FEEDING REGULATION, HORMONE                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.ADROVER, P.SANCHIS, B.VILANOVA, K.PAUWELS, G.MARTORELL, J.PEREZ     
*REVDAT   1   14-OCT-15 2N0E    0                                                


  9 LEU  H       9 LEU  HB2     3.04   
  9 LEU  H       9 LEU  HB3     3.88   
  9 LEU  H       9 LEU  HG      4.13   
  9 LEU  H       9 LEU  QD2     4.16   
  9 LEU  H       9 LEU  QD1     4.76   
  6 VAL  H       6 VAL  HA      2.94   
  6 VAL  H       6 VAL  QG2     2.96   
  6 VAL  H       6 VAL  QG1     3.34   
 10 MET  H      10 MET  HG2     4.17   
 10 MET  H      10 MET  HG3     4.17   
 10 MET  H      10 MET  HB2     3.95   
 10 MET  H      10 MET  HB3     3.95   
 10 MET  H      10 MET  QE      3.75   
  5 ALA  H       5 ALA  QB      2.83   
  7 GLY  H       7 GLY  QA      2.43   
  8 HIS  H       8 HIS  HB3     3.51   
  8 HIS  H       8 HIS  HB2     3.37   
  3 HIS  HA      4 TRP  H       3.01   
  2 ASN  HA      2 ASN  HD21    4.05   
  2 ASN  HA      2 ASN  HD22    4.05   
  2 ASN  QB      2 ASN  HD21    3.73   
  2 ASN  QB      2 ASN  HD22    3.73   
  5 ALA  H       6 VAL  H       3.07   
  6 VAL  H       7 GLY  H       3.31   
  7 GLY  H       8 HIS  H       3.43   
  4 TRP  H       5 ALA  H       3.16   
  4 TRP  HD1     5 ALA  H       3.93   
  4 TRP  HE3     5 ALA  H       3.89   
  8 HIS  H       8 HIS  HD2     4.05   
  8 HIS  H       9 LEU  H       3.19   
  6 VAL  HB      7 GLY  H       4.02   
  6 VAL  QG2     7 GLY  H       3.49   
  5 ALA  H       6 VAL  QG1     4.40   
  6 VAL  QG1     7 GLY  H       4.68   
  8 HIS  HA      9 LEU  H       3.52   
  7 GLY  QA      9 LEU  H       3.78   
  8 HIS  HB3     9 LEU  H       3.62   
  8 HIS  HB2     9 LEU  H       3.67   
  6 VAL  HA     10 MET  H       3.88   
  9 LEU  HB2    10 MET  H       3.76   
  9 LEU  HB3    10 MET  H       3.65   
  3 HIS  QB      4 TRP  H       3.57   
  5 ALA  QB      6 VAL  H       3.22   
  4 TRP  HA      6 VAL  H       3.98   
  4 TRP  HE3     5 ALA  HA      3.54   
  4 TRP  QB      4 TRP  HE3     2.98   
  3 HIS  HA      4 TRP  HD1     3.62   
  8 HIS  HA      8 HIS  HD2     3.45   
  3 HIS  HA      3 HIS  HD2     3.94   
  4 TRP  QB      4 TRP  HD1     2.88   
  4 TRP  HZ3     8 HIS  HB3     3.21   
  8 HIS  HB2     8 HIS  HD2     3.37   
  3 HIS  QB      3 HIS  HD2     3.16   
  7 GLY  QA      8 HIS  H       3.12   
  3 HIS  HA      3 HIS  QB      2.87   
  4 TRP  HA      4 TRP  QB      2.61   
  9 LEU  HA      9 LEU  QD1     4.04   
  6 VAL  HA     10 MET  QE      3.66   
  6 VAL  HA      6 VAL  QG1     3.00   
  6 VAL  HA      9 LEU  HB2     4.82   
  5 ALA  HA      8 HIS  HB3     4.41   
  4 TRP  QB      5 ALA  QB      4.56   
  4 TRP  QB      5 ALA  HA      4.26   
  5 ALA  HA      8 HIS  HB2     4.27   
  5 ALA  HA      6 VAL  HA      4.97   
  9 LEU  QD1    10 MET  QE      3.76   
  5 ALA  QB      6 VAL  QG2     4.31   
  9 LEU  HB2     9 LEU  QD2     3.82   
  5 ALA  QB     10 MET  QE      4.38   
  3 HIS  QB      6 VAL  QG2     4.18   
  5 ALA  QB      9 LEU  QD1     4.17   
  9 LEU  HB2     9 LEU  QD1     3.35   
  9 LEU  HB3     9 LEU  QD1     3.23   
  9 LEU  HB3     9 LEU  QD2     3.32   
  4 TRP  HA      7 GLY  H       4.63   
  5 ALA  HA      6 VAL  H       3.50   
  3 HIS  HA      4 TRP  HE1     5.50   
  4 TRP  QB      4 TRP  HE1     4.55   
  5 ALA  H       9 LEU  HG      5.50   
  3 HIS  QB      5 ALA  H       4.48   
  5 ALA  H       8 HIS  HB3     5.48   
  7 GLY  H       8 HIS  HB3     5.50   
  5 ALA  H       8 HIS  HB2     5.40   
  7 GLY  H       8 HIS  HB2     5.50   
  4 TRP  H       5 ALA  QB      4.87   
  5 ALA  QB     10 MET  H       5.19   
  9 LEU  QD1    10 MET  H       4.34   
  6 VAL  QG1     8 HIS  H       5.50   
  5 ALA  HA      9 LEU  H       4.69   
  4 TRP  H       5 ALA  HA      5.50   
  5 ALA  HA     10 MET  H       5.50   
  5 ALA  HA      8 HIS  H       4.58   
  2 ASN  QB      6 VAL  H       5.50   
  3 HIS  QB      6 VAL  H       4.77   
  4 TRP  HE3     5 ALA  QB      4.15   
  4 TRP  HH2     5 ALA  HA      5.18   
  4 TRP  HH2     5 ALA  QB      4.48   
  4 TRP  HZ3     9 LEU  HA      5.50   
  4 TRP  HZ3     5 ALA  HA      4.05   
  7 GLY  QA      8 HIS  HD2     4.76   
  4 TRP  HZ3     9 LEU  HG      4.43   
  4 TRP  HZ3     5 ALA  QB      4.35   
  4 TRP  HZ3     9 LEU  QD2     4.24   
  3 HIS  HD2     6 VAL  QG1     4.83   
  4 TRP  HE3     8 HIS  HE1     5.44   
  4 TRP  H       4 TRP  HE3     4.84   
  6 VAL  H       8 HIS  H       4.78   
  4 TRP  H       6 VAL  H       4.46   
  4 TRP  H       4 TRP  HD1     3.48   
  4 TRP  HZ3     5 ALA  H       4.77   
  3 HIS  HD2     4 TRP  HE3     5.31   
  3 HIS  HD2     5 ALA  H       4.52   
  4 TRP  HA      4 TRP  HE3     4.78   
  4 TRP  HA      4 TRP  HD1     5.50   
  8 HIS  HA      9 LEU  HA      4.61   
  9 LEU  HA     10 MET  HA      4.58   
  2 ASN  HA      3 HIS  HA      4.35   
  4 TRP  HA      5 ALA  HA      5.23   
  5 ALA  HA      8 HIS  HA      5.50   
  5 ALA  HA     10 MET  QE      4.82   
  5 ALA  HA      9 LEU  HG      5.22   
  7 GLY  QA      8 HIS  HA      4.16   
  3 HIS  QB      4 TRP  QB      4.65   
  2 ASN  QB      3 HIS  HA      4.81   
  2 ASN  QB      3 HIS  QB      4.87   
  7 GLY  QA      8 HIS  HB3     5.50   
  7 GLY  QA      8 HIS  HB2     4.77   
  3 HIS  QB      6 VAL  HA      4.99   
  8 HIS  HB2     9 LEU  HG      5.12   
  3 HIS  QB      6 VAL  HB      4.71   
  4 TRP  QB      6 VAL  H       4.80   
  4 TRP  H       4 TRP  QB      2.95   
  4 TRP  QB      5 ALA  H       3.38   
  6 VAL  HA     10 MET  HG2     5.38   
  6 VAL  HA     10 MET  HG3     5.38   
  2 ASN  QB      4 TRP  H       5.50   
  6 VAL  H       6 VAL  HB      3.67   
  9 LEU  HA      9 LEU  HG      3.67   
  9 LEU  HB3    10 MET  HA      5.00   
  8 HIS  HA      9 LEU  HG      5.40   
  8 HIS  HA      9 LEU  HB2     5.50   
  9 LEU  HB2    10 MET  QE      4.61   
  9 LEU  HB3    10 MET  QE      5.17   
  8 HIS  HB3     9 LEU  HG      5.02   
  4 TRP  HA      5 ALA  QB      5.11   
  5 ALA  QB      6 VAL  HA      4.05   
  5 ALA  QB      8 HIS  HB3     4.72   
  5 ALA  QB      8 HIS  HB2     4.56   
  5 ALA  QB      9 LEU  H       4.25   
  2 ASN  QB      6 VAL  QG2     4.60   
  4 TRP  QB      6 VAL  QG2     4.85   
  6 VAL  HA      6 VAL  QG2     3.45   
  6 VAL  QG2     7 GLY  QA      3.67   
  5 ALA  HA      6 VAL  QG2     4.65   
  4 TRP  HA      6 VAL  QG2     3.88   
  5 ALA  QB      6 VAL  QG1     4.22   
  6 VAL  QG1    10 MET  HG2     4.74   
  6 VAL  QG1    10 MET  HG3     4.74   
  2 ASN  QB      6 VAL  QG1     5.36   
  3 HIS  QB      6 VAL  QG1     4.77   
  4 TRP  QB      6 VAL  QG1     5.50   
  5 ALA  HA      6 VAL  QG1     5.30   
  3 HIS  HA      6 VAL  QG1     4.96   
  4 TRP  HA      6 VAL  QG1     5.48   
  5 ALA  QB      9 LEU  QD2     4.47   
  8 HIS  HB2     9 LEU  QD2     5.50   
  8 HIS  HB3     9 LEU  QD2     4.91   
  9 LEU  HA      9 LEU  QD2     3.06   
  2 ASN  HA      2 ASN  QD2     3.44   
  2 ASN  QB      2 ASN  QD2     3.09   
  6 VAL  HA     10 MET  QG      4.74   
  6 VAL  QG1    10 MET  QG      4.13   
  9 LEU  HB2    10 MET  QG      5.08   
  9 LEU  HB3    10 MET  QB      4.80   
  9 LEU  HB3    10 MET  QG      4.92   
 10 MET  H      10 MET  QB      3.23   
 10 MET  H      10 MET  QG      3.63   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -2.133  10.299   1.763
    2    H2   GLY   1           H2       GLY   1  -1.415  11.575   1.040
    3    H3   GLY   1           H3       GLY   1  -0.885  10.060   0.738
    4    HA2  GLY   1           HA2      GLY   1   0.529  11.151   2.205
    5    HA3  GLY   1           HA3      GLY   1  -0.719  11.390   3.230
    6    H    ASN   2           H        ASN   2  -1.921   8.807   2.761
    7    HA   ASN   2           HA       ASN   2  -0.596   7.371   4.724
    8    HB2  ASN   2           HB2      ASN   2  -2.746   6.783   2.920
    9    HB3  ASN   2           HB3      ASN   2  -2.050   5.499   3.650
   10   HD21  ASN   2          HD21      ASN   2  -3.901   8.373   4.128
   11   HD22  ASN   2          HD22      ASN   2  -4.471   7.984   5.717
   12    H    HIS   3           H        HIS   3  -0.142   4.870   4.313
   13    HA   HIS   3           HA       HIS   3   2.177   4.898   2.661
   14    HB2  HIS   3           HB2      HIS   3   1.522   3.548   4.865
   15    HB3  HIS   3           HB3      HIS   3   1.514   2.400   3.704
   16    HD2  HIS   3           HD2      HIS   3   3.973   1.555   2.852
   17    HE1  HIS   3           HE1      HIS   3   6.175   4.131   5.143
   18    HE2  HIS   3           HE2      HIS   3   6.363   2.180   3.633
   19    H    TRP   4           H        TRP   4   2.481   2.438   1.640
   20    HA   TRP   4           HA       TRP   4   0.368   2.341  -0.333
   21    HB2  TRP   4           HB2      TRP   4   2.053   1.311  -1.778
   22    HB3  TRP   4           HB3      TRP   4   2.400   2.858  -1.387
   23    HD1  TRP   4           HD1      TRP   4   4.455   3.251   0.327
   24    HE1  TRP   4           HE1      TRP   4   6.474   1.861   0.955
   25    HE3  TRP   4           HE3      TRP   4   2.864  -1.117  -1.514
   26    HZ2  TRP   4           HZ2      TRP   4   7.176  -0.823   0.632
   27    HZ3  TRP   4           HZ3      TRP   4   4.263  -3.031  -1.315
   28    HH2  TRP   4           HH2      TRP   4   6.390  -2.889  -0.256
   29    H    ALA   5           H        ALA   5   2.520   0.322   1.495
   30    HA   ALA   5           HA       ALA   5   1.542  -2.128   0.797
   31    HB1  ALA   5           HB1      ALA   5   2.522  -1.366   3.391
   32    HB2  ALA   5           HB2      ALA   5   2.391  -2.910   2.876
   33    HB3  ALA   5           HB3      ALA   5   3.450  -1.896   2.157
   34    H    VAL   6           H        VAL   6   0.105   0.218   2.818
   35    HA   VAL   6           HA       VAL   6  -1.693  -1.274   4.213
   36    HB   VAL   6           HB       VAL   6  -3.077   0.658   4.307
   37   HG11  VAL   6          HG11      VAL   6  -0.296   1.335   4.575
   38   HG12  VAL   6          HG12      VAL   6  -1.529   2.185   5.227
   39   HG13  VAL   6          HG13      VAL   6  -1.223   0.666   5.741
   40   HG21  VAL   6          HG21      VAL   6  -2.918   1.354   2.040
   41   HG22  VAL   6          HG22      VAL   6  -2.531   2.597   3.026
   42   HG23  VAL   6          HG23      VAL   6  -1.353   1.761   2.265
   43    H    GLY   7           H        GLY   7  -1.758  -0.501   0.885
   44    HA2  GLY   7           HA2      GLY   7  -4.253  -1.967   0.640
   45    HA3  GLY   7           HA3      GLY   7  -3.879  -0.703  -0.323
   46    H    HIS   8           H        HIS   8  -1.105  -1.457  -0.636
   47    HA   HIS   8           HA       HIS   8  -1.437  -3.245  -2.804
   48    HB2  HIS   8           HB2      HIS   8   0.496  -1.470  -2.008
   49    HB3  HIS   8           HB3      HIS   8   1.209  -2.909  -2.301
   50    HD2  HIS   8           HD2      HIS   8  -1.517  -1.352  -4.492
   51    HE1  HIS   8           HE1      HIS   8   1.826  -1.875  -6.790
   52    HE2  HIS   8           HE2      HIS   8  -0.539  -1.153  -6.883
   53    H    LEU   9           H        LEU   9  -0.715  -3.592   0.454
   54    HA   LEU   9           HA       LEU   9   0.030  -6.365   0.023
   55    HB2  LEU   9           HB2      LEU   9   1.124  -4.466   1.842
   56    HB3  LEU   9           HB3      LEU   9   1.104  -6.035   2.293
   57    HG   LEU   9           HG       LEU   9   2.503  -5.035  -0.013
   58   HD11  LEU   9          HD11      LEU   9   3.585  -4.376   2.002
   59   HD12  LEU   9          HD12      LEU   9   3.596  -5.930   2.504
   60   HD13  LEU   9          HD13      LEU   9   4.490  -5.483   1.213
   61   HD21  LEU   9          HD21      LEU   9   1.789  -7.224  -0.368
   62   HD22  LEU   9          HD22      LEU   9   3.415  -7.208  -0.212
   63   HD23  LEU   9          HD23      LEU   9   2.479  -7.695   1.035
   64    H    MET  10           H        MET  10  -0.901  -4.509   2.827
   65    HA   MET  10           HA       MET  10  -2.945  -6.487   3.370
   66    HB2  MET  10           HB2      MET  10  -2.762  -5.843   5.664
   67    HB3  MET  10           HB3      MET  10  -1.319  -6.352   5.095
   68    HG2  MET  10           HG2      MET  10  -1.790  -3.580   4.955
   69    HG3  MET  10           HG3      MET  10  -1.566  -4.192   6.453
   70    HE1  MET  10           HE1      MET  10   0.344  -1.990   5.476
   71    HE2  MET  10           HE2      MET  10   0.562  -2.721   6.921
   72    HE3  MET  10           HE3      MET  10   1.818  -2.560   5.889
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1   1.348  11.725   3.353
    2    H2   GLY   1           H2       GLY   1   0.166  12.772   2.937
    3    H3   GLY   1           H3       GLY   1   0.084  11.971   4.357
    4    HA2  GLY   1           HA2      GLY   1  -1.338  11.032   2.798
    5    HA3  GLY   1           HA3      GLY   1  -0.074  10.786   1.794
    6    H    ASN   2           H        ASN   2  -1.850   8.783   2.684
    7    HA   ASN   2           HA       ASN   2  -0.614   7.348   4.748
    8    HB2  ASN   2           HB2      ASN   2  -2.738   6.801   2.903
    9    HB3  ASN   2           HB3      ASN   2  -2.060   5.502   3.624
   10   HD21  ASN   2          HD21      ASN   2  -2.228   5.162   5.896
   11   HD22  ASN   2          HD22      ASN   2  -3.465   5.981   6.791
   12    H    HIS   3           H        HIS   3  -0.166   4.852   4.299
   13    HA   HIS   3           HA       HIS   3   2.169   4.899   2.665
   14    HB2  HIS   3           HB2      HIS   3   1.507   3.535   4.863
   15    HB3  HIS   3           HB3      HIS   3   1.528   2.395   3.694
   16    HD2  HIS   3           HD2      HIS   3   4.007   1.577   2.884
   17    HE1  HIS   3           HE1      HIS   3   6.149   4.193   5.182
   18    HE2  HIS   3           HE2      HIS   3   6.378   2.238   3.685
   19    H    TRP   4           H        TRP   4   2.484   2.442   1.639
   20    HA   TRP   4           HA       TRP   4   0.376   2.340  -0.339
   21    HB2  TRP   4           HB2      TRP   4   2.067   1.306  -1.774
   22    HB3  TRP   4           HB3      TRP   4   2.409   2.855  -1.386
   23    HD1  TRP   4           HD1      TRP   4   4.460   3.259   0.326
   24    HE1  TRP   4           HE1      TRP   4   6.479   1.873   0.967
   25    HE3  TRP   4           HE3      TRP   4   2.875  -1.121  -1.491
   26    HZ2  TRP   4           HZ2      TRP   4   7.182  -0.813   0.665
   27    HZ3  TRP   4           HZ3      TRP   4   4.272  -3.036  -1.273
   28    HH2  TRP   4           HH2      TRP   4   6.398  -2.887  -0.210
   29    H    ALA   5           H        ALA   5   2.521   0.320   1.497
   30    HA   ALA   5           HA       ALA   5   1.543  -2.128   0.795
   31    HB1  ALA   5           HB1      ALA   5   2.526  -1.371   3.389
   32    HB2  ALA   5           HB2      ALA   5   2.393  -2.914   2.872
   33    HB3  ALA   5           HB3      ALA   5   3.452  -1.900   2.152
   34    H    VAL   6           H        VAL   6   0.109   0.219   2.816
   35    HA   VAL   6           HA       VAL   6  -1.690  -1.270   4.213
   36    HB   VAL   6           HB       VAL   6  -3.072   0.664   4.309
   37   HG11  VAL   6          HG11      VAL   6  -0.291   1.336   4.572
   38   HG12  VAL   6          HG12      VAL   6  -1.522   2.187   5.226
   39   HG13  VAL   6          HG13      VAL   6  -1.216   0.667   5.740
   40   HG21  VAL   6          HG21      VAL   6  -2.911   1.359   2.039
   41   HG22  VAL   6          HG22      VAL   6  -2.524   2.602   3.026
   42   HG23  VAL   6          HG23      VAL   6  -1.345   1.764   2.266
   43    H    GLY   7           H        GLY   7  -1.757  -0.499   0.884
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.964   0.641
   45    HA3  GLY   7           HA3      GLY   7  -3.878  -0.700  -0.323
   46    H    HIS   8           H        HIS   8  -1.105  -1.456  -0.637
   47    HA   HIS   8           HA       HIS   8  -1.439  -3.246  -2.803
   48    HB2  HIS   8           HB2      HIS   8   0.496  -1.472  -2.012
   49    HB3  HIS   8           HB3      HIS   8   1.206  -2.912  -2.308
   50    HD2  HIS   8           HD2      HIS   8  -1.569  -1.532  -4.527
   51    HE1  HIS   8           HE1      HIS   8   1.846  -1.745  -6.768
   52    HE2  HIS   8           HE2      HIS   8  -0.574  -1.242  -6.901
   53    H    LEU   9           H        LEU   9  -0.723  -3.593   0.455
   54    HA   LEU   9           HA       LEU   9   0.027  -6.364   0.027
   55    HB2  LEU   9           HB2      LEU   9   1.124  -4.464   1.841
   56    HB3  LEU   9           HB3      LEU   9   1.105  -6.032   2.293
   57    HG   LEU   9           HG       LEU   9   2.500  -5.034  -0.015
   58   HD11  LEU   9          HD11      LEU   9   3.586  -4.376   1.997
   59   HD12  LEU   9          HD12      LEU   9   3.597  -5.930   2.499
   60   HD13  LEU   9          HD13      LEU   9   4.489  -5.484   1.206
   61   HD21  LEU   9          HD21      LEU   9   2.476  -7.695   1.036
   62   HD22  LEU   9          HD22      LEU   9   1.784  -7.226  -0.366
   63   HD23  LEU   9          HD23      LEU   9   3.410  -7.210  -0.213
   64    H    MET  10           H        MET  10  -0.870  -4.528   2.853
   65    HA   MET  10           HA       MET  10  -2.782  -6.569   3.531
   66    HB2  MET  10           HB2      MET  10  -2.721  -5.744   5.699
   67    HB3  MET  10           HB3      MET  10  -1.170  -5.775   5.189
   68    HG2  MET  10           HG2      MET  10  -1.501  -3.402   4.613
   69    HG3  MET  10           HG3      MET  10  -2.838  -3.486   5.547
   70    HE1  MET  10           HE1      MET  10   0.906  -3.246   5.464
   71    HE2  MET  10           HE2      MET  10   0.122  -1.836   5.720
   72    HE3  MET  10           HE3      MET  10   1.120  -2.435   6.866
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1   0.136  10.390   1.154
    2    H2   GLY   1           H2       GLY   1   0.047  12.007   1.362
    3    H3   GLY   1           H3       GLY   1   1.186  11.144   2.153
    4    HA2  GLY   1           HA2      GLY   1  -0.556  11.699   3.565
    5    HA3  GLY   1           HA3      GLY   1  -1.606  10.944   2.567
    6    H    ASN   2           H        ASN   2  -1.607   8.658   2.343
    7    HA   ASN   2           HA       ASN   2  -0.556   7.403   4.705
    8    HB2  ASN   2           HB2      ASN   2  -2.731   6.783   2.940
    9    HB3  ASN   2           HB3      ASN   2  -2.026   5.515   3.688
   10   HD21  ASN   2          HD21      ASN   2  -1.659   5.883   6.160
   11   HD22  ASN   2          HD22      ASN   2  -3.054   6.490   6.988
   12    H    HIS   3           H        HIS   3  -0.101   4.898   4.331
   13    HA   HIS   3           HA       HIS   3   2.198   4.897   2.659
   14    HB2  HIS   3           HB2      HIS   3   1.534   3.551   4.864
   15    HB3  HIS   3           HB3      HIS   3   1.520   2.404   3.702
   16    HD2  HIS   3           HD2      HIS   3   3.972   1.527   2.881
   17    HE1  HIS   3           HE1      HIS   3   6.191   4.125   5.126
   18    HE2  HIS   3           HE2      HIS   3   6.364   2.147   3.648
   19    H    TRP   4           H        TRP   4   2.476   2.433   1.639
   20    HA   TRP   4           HA       TRP   4   0.352   2.344  -0.323
   21    HB2  TRP   4           HB2      TRP   4   2.022   1.323  -1.785
   22    HB3  TRP   4           HB3      TRP   4   2.374   2.868  -1.390
   23    HD1  TRP   4           HD1      TRP   4   4.459   3.256   0.279
   24    HE1  TRP   4           HE1      TRP   4   6.476   1.861   0.891
   25    HE3  TRP   4           HE3      TRP   4   2.813  -1.115  -1.503
   26    HZ2  TRP   4           HZ2      TRP   4   7.157  -0.833   0.584
   27    HZ3  TRP   4           HZ3      TRP   4   4.201  -3.039  -1.304
   28    HH2  TRP   4           HH2      TRP   4   6.345  -2.902  -0.275
   29    H    ALA   5           H        ALA   5   2.509   0.331   1.501
   30    HA   ALA   5           HA       ALA   5   1.544  -2.121   0.800
   31    HB1  ALA   5           HB1      ALA   5   2.518  -1.359   3.395
   32    HB2  ALA   5           HB2      ALA   5   2.394  -2.903   2.878
   33    HB3  ALA   5           HB3      ALA   5   3.449  -1.884   2.160
   34    H    VAL   6           H        VAL   6   0.095   0.218   2.820
   35    HA   VAL   6           HA       VAL   6  -1.699  -1.283   4.212
   36    HB   VAL   6           HB       VAL   6  -3.087   0.645   4.313
   37   HG11  VAL   6          HG11      VAL   6  -0.309   1.332   4.572
   38   HG12  VAL   6          HG12      VAL   6  -1.543   2.177   5.228
   39   HG13  VAL   6          HG13      VAL   6  -1.229   0.658   5.741
   40   HG21  VAL   6          HG21      VAL   6  -2.937   1.341   2.045
   41   HG22  VAL   6          HG22      VAL   6  -2.554   2.586   3.030
   42   HG23  VAL   6          HG23      VAL   6  -1.373   1.755   2.266
   43    H    GLY   7           H        GLY   7  -1.763  -0.505   0.885
   44    HA2  GLY   7           HA2      GLY   7  -4.253  -1.979   0.636
   45    HA3  GLY   7           HA3      GLY   7  -3.881  -0.715  -0.328
   46    H    HIS   8           H        HIS   8  -1.109  -1.453  -0.649
   47    HA   HIS   8           HA       HIS   8  -1.434  -3.249  -2.809
   48    HB2  HIS   8           HB2      HIS   8   0.495  -1.468  -2.015
   49    HB3  HIS   8           HB3      HIS   8   1.210  -2.906  -2.312
   50    HD2  HIS   8           HD2      HIS   8  -1.543  -1.418  -4.510
   51    HE1  HIS   8           HE1      HIS   8   1.827  -1.818  -6.791
   52    HE2  HIS   8           HE2      HIS   8  -0.565  -1.180  -6.892
   53    H    LEU   9           H        LEU   9  -0.711  -3.589   0.450
   54    HA   LEU   9           HA       LEU   9   0.044  -6.359   0.024
   55    HB2  LEU   9           HB2      LEU   9   1.137  -4.455   1.836
   56    HB3  LEU   9           HB3      LEU   9   1.124  -6.024   2.287
   57    HG   LEU   9           HG       LEU   9   2.512  -5.018  -0.023
   58   HD11  LEU   9          HD11      LEU   9   3.599  -4.358   1.988
   59   HD12  LEU   9          HD12      LEU   9   3.616  -5.912   2.490
   60   HD13  LEU   9          HD13      LEU   9   4.505  -5.461   1.196
   61   HD21  LEU   9          HD21      LEU   9   1.803  -7.214  -0.373
   62   HD22  LEU   9          HD22      LEU   9   3.429  -7.191  -0.223
   63   HD23  LEU   9          HD23      LEU   9   2.500  -7.680   1.029
   64    H    MET  10           H        MET  10  -0.833  -4.542   2.867
   65    HA   MET  10           HA       MET  10  -2.685  -6.599   3.604
   66    HB2  MET  10           HB2      MET  10  -2.781  -5.518   5.702
   67    HB3  MET  10           HB3      MET  10  -1.216  -5.695   5.274
   68    HG2  MET  10           HG2      MET  10  -1.457  -3.368   4.394
   69    HG3  MET  10           HG3      MET  10  -2.743  -3.300   5.398
   70    HE1  MET  10           HE1      MET  10   0.924  -4.506   5.516
   71    HE2  MET  10           HE2      MET  10   0.927  -2.933   5.075
   72    HE3  MET  10           HE3      MET  10   1.571  -3.381   6.507
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1   0.848  11.652   3.406
    2    H2   GLY   1           H2       GLY   1  -0.244  12.821   3.076
    3    H3   GLY   1           H3       GLY   1  -0.186  12.154   4.565
    4    HA2  GLY   1           HA2      GLY   1  -1.959  11.306   3.351
    5    HA3  GLY   1           HA3      GLY   1  -0.924  10.805   2.192
    6    H    ASN   2           H        ASN   2  -1.319   8.625   2.238
    7    HA   ASN   2           HA       ASN   2  -0.601   7.361   4.735
    8    HB2  ASN   2           HB2      ASN   2  -2.750   6.774   2.932
    9    HB3  ASN   2           HB3      ASN   2  -2.051   5.490   3.659
   10   HD21  ASN   2          HD21      ASN   2  -3.032   8.703   4.681
   11   HD22  ASN   2          HD22      ASN   2  -3.935   8.179   6.064
   12    H    HIS   3           H        HIS   3  -0.144   4.861   4.315
   13    HA   HIS   3           HA       HIS   3   2.173   4.897   2.660
   14    HB2  HIS   3           HB2      HIS   3   1.513   3.534   4.863
   15    HB3  HIS   3           HB3      HIS   3   1.537   2.394   3.694
   16    HD2  HIS   3           HD2      HIS   3   4.016   1.576   2.891
   17    HE1  HIS   3           HE1      HIS   3   6.153   4.211   5.179
   18    HE2  HIS   3           HE2      HIS   3   6.389   2.247   3.691
   19    H    TRP   4           H        TRP   4   2.487   2.445   1.630
   20    HA   TRP   4           HA       TRP   4   0.368   2.341  -0.336
   21    HB2  TRP   4           HB2      TRP   4   2.052   1.311  -1.781
   22    HB3  TRP   4           HB3      TRP   4   2.399   2.858  -1.390
   23    HD1  TRP   4           HD1      TRP   4   4.456   3.251   0.320
   24    HE1  TRP   4           HE1      TRP   4   6.475   1.861   0.946
   25    HE3  TRP   4           HE3      TRP   4   2.862  -1.118  -1.514
   26    HZ2  TRP   4           HZ2      TRP   4   7.177  -0.823   0.627
   27    HZ3  TRP   4           HZ3      TRP   4   4.260  -3.033  -1.313
   28    HH2  TRP   4           HH2      TRP   4   6.388  -2.891  -0.256
   29    H    ALA   5           H        ALA   5   2.519   0.324   1.495
   30    HA   ALA   5           HA       ALA   5   1.544  -2.126   0.798
   31    HB1  ALA   5           HB1      ALA   5   2.520  -1.363   3.393
   32    HB2  ALA   5           HB2      ALA   5   2.392  -2.907   2.878
   33    HB3  ALA   5           HB3      ALA   5   3.450  -1.892   2.160
   34    H    VAL   6           H        VAL   6   0.105   0.220   2.817
   35    HA   VAL   6           HA       VAL   6  -1.693  -1.273   4.213
   36    HB   VAL   6           HB       VAL   6  -3.076   0.664   4.308
   37   HG11  VAL   6          HG11      VAL   6  -1.221   0.670   5.740
   38   HG12  VAL   6          HG12      VAL   6  -0.294   1.337   4.572
   39   HG13  VAL   6          HG13      VAL   6  -1.526   2.189   5.224
   40   HG21  VAL   6          HG21      VAL   6  -2.921   1.355   2.041
   41   HG22  VAL   6          HG22      VAL   6  -2.532   2.600   3.024
   42   HG23  VAL   6          HG23      VAL   6  -1.355   1.762   2.263
   43    H    GLY   7           H        GLY   7  -1.756  -0.502   0.885
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.965   0.640
   45    HA3  GLY   7           HA3      GLY   7  -3.876  -0.702  -0.325
   46    H    HIS   8           H        HIS   8  -1.107  -1.454  -0.644
   47    HA   HIS   8           HA       HIS   8  -1.436  -3.248  -2.805
   48    HB2  HIS   8           HB2      HIS   8   0.496  -1.471  -2.013
   49    HB3  HIS   8           HB3      HIS   8   1.210  -2.910  -2.303
   50    HD2  HIS   8           HD2      HIS   8  -1.524  -1.378  -4.501
   51    HE1  HIS   8           HE1      HIS   8   1.828  -1.872  -6.791
   52    HE2  HIS   8           HE2      HIS   8  -0.544  -1.175  -6.890
   53    H    LEU   9           H        LEU   9  -0.719  -3.590   0.455
   54    HA   LEU   9           HA       LEU   9   0.028  -6.363   0.028
   55    HB2  LEU   9           HB2      LEU   9   1.125  -4.461   1.841
   56    HB3  LEU   9           HB3      LEU   9   1.106  -6.030   2.294
   57    HG   LEU   9           HG       LEU   9   2.500  -5.031  -0.014
   58   HD11  LEU   9          HD11      LEU   9   3.597  -5.927   2.500
   59   HD12  LEU   9          HD12      LEU   9   4.489  -5.480   1.207
   60   HD13  LEU   9          HD13      LEU   9   3.586  -4.373   1.998
   61   HD21  LEU   9          HD21      LEU   9   1.786  -7.224  -0.366
   62   HD22  LEU   9          HD22      LEU   9   3.412  -7.207  -0.213
   63   HD23  LEU   9          HD23      LEU   9   2.478  -7.693   1.036
   64    H    MET  10           H        MET  10  -0.886  -4.510   2.840
   65    HA   MET  10           HA       MET  10  -2.942  -6.476   3.378
   66    HB2  MET  10           HB2      MET  10  -2.696  -6.020   5.653
   67    HB3  MET  10           HB3      MET  10  -1.192  -6.246   5.057
   68    HG2  MET  10           HG2      MET  10  -1.241  -3.732   4.827
   69    HG3  MET  10           HG3      MET  10  -2.375  -3.848   5.997
   70    HE1  MET  10           HE1      MET  10   1.288  -4.251   5.130
   71    HE2  MET  10           HE2      MET  10   0.893  -2.767   5.683
   72    HE3  MET  10           HE3      MET  10   1.927  -3.705   6.529
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -3.131  10.423   2.027
    2    H2   GLY   1           H2       GLY   1  -2.257  11.673   1.443
    3    H3   GLY   1           H3       GLY   1  -1.687  10.147   1.317
    4    HA2  GLY   1           HA2      GLY   1  -0.629  11.284   3.027
    5    HA3  GLY   1           HA3      GLY   1  -2.073  11.560   3.737
    6    H    ASN   2           H        ASN   2  -0.860   8.672   2.223
    7    HA   ASN   2           HA       ASN   2  -0.595   7.367   4.732
    8    HB2  ASN   2           HB2      ASN   2  -2.744   6.775   2.927
    9    HB3  ASN   2           HB3      ASN   2  -2.048   5.494   3.663
   10   HD21  ASN   2          HD21      ASN   2  -1.993   5.398   6.036
   11   HD22  ASN   2          HD22      ASN   2  -3.296   6.149   6.896
   12    H    HIS   3           H        HIS   3  -0.139   4.866   4.315
   13    HA   HIS   3           HA       HIS   3   2.178   4.899   2.663
   14    HB2  HIS   3           HB2      HIS   3   1.514   3.537   4.862
   15    HB3  HIS   3           HB3      HIS   3   1.532   2.397   3.693
   16    HD2  HIS   3           HD2      HIS   3   4.001   1.528   2.944
   17    HE1  HIS   3           HE1      HIS   3   6.163   4.220   5.133
   18    HE2  HIS   3           HE2      HIS   3   6.379   2.209   3.714
   19    H    TRP   4           H        TRP   4   2.481   2.439   1.638
   20    HA   TRP   4           HA       TRP   4   0.367   2.342  -0.333
   21    HB2  TRP   4           HB2      TRP   4   2.050   1.315  -1.780
   22    HB3  TRP   4           HB3      TRP   4   2.399   2.861  -1.386
   23    HD1  TRP   4           HD1      TRP   4   4.458   3.249   0.322
   24    HE1  TRP   4           HE1      TRP   4   6.474   1.855   0.949
   25    HE3  TRP   4           HE3      TRP   4   2.855  -1.115  -1.517
   26    HZ2  TRP   4           HZ2      TRP   4   7.172  -0.830   0.624
   27    HZ3  TRP   4           HZ3      TRP   4   4.252  -3.032  -1.320
   28    HH2  TRP   4           HH2      TRP   4   6.380  -2.894  -0.262
   29    H    ALA   5           H        ALA   5   2.517   0.323   1.497
   30    HA   ALA   5           HA       ALA   5   1.541  -2.126   0.794
   31    HB1  ALA   5           HB1      ALA   5   2.523  -1.367   3.389
   32    HB2  ALA   5           HB2      ALA   5   2.393  -2.911   2.872
   33    HB3  ALA   5           HB3      ALA   5   3.451  -1.895   2.153
   34    H    VAL   6           H        VAL   6   0.104   0.217   2.817
   35    HA   VAL   6           HA       VAL   6  -1.693  -1.275   4.212
   36    HB   VAL   6           HB       VAL   6  -3.077   0.658   4.308
   37   HG11  VAL   6          HG11      VAL   6  -0.297   1.334   4.570
   38   HG12  VAL   6          HG12      VAL   6  -1.529   2.184   5.224
   39   HG13  VAL   6          HG13      VAL   6  -1.221   0.665   5.738
   40   HG21  VAL   6          HG21      VAL   6  -2.922   1.351   2.040
   41   HG22  VAL   6          HG22      VAL   6  -2.535   2.595   3.024
   42   HG23  VAL   6          HG23      VAL   6  -1.356   1.759   2.263
   43    H    GLY   7           H        GLY   7  -1.762  -0.499   0.883
   44    HA2  GLY   7           HA2      GLY   7  -4.253  -1.972   0.639
   45    HA3  GLY   7           HA3      GLY   7  -3.884  -0.705  -0.323
   46    H    HIS   8           H        HIS   8  -1.103  -1.461  -0.627
   47    HA   HIS   8           HA       HIS   8  -1.434  -3.243  -2.801
   48    HB2  HIS   8           HB2      HIS   8   0.498  -1.468  -2.004
   49    HB3  HIS   8           HB3      HIS   8   1.213  -2.907  -2.292
   50    HD2  HIS   8           HD2      HIS   8  -1.493  -1.308  -4.485
   51    HE1  HIS   8           HE1      HIS   8   1.831  -1.916  -6.787
   52    HE2  HIS   8           HE2      HIS   8  -0.518  -1.136  -6.875
   53    H    LEU   9           H        LEU   9  -0.725  -3.600   0.456
   54    HA   LEU   9           HA       LEU   9   0.024  -6.370   0.021
   55    HB2  LEU   9           HB2      LEU   9   1.115  -4.476   1.846
   56    HB3  LEU   9           HB3      LEU   9   1.096  -6.047   2.291
   57    HG   LEU   9           HG       LEU   9   2.497  -5.036  -0.009
   58   HD11  LEU   9          HD11      LEU   9   3.575  -4.387   2.010
   59   HD12  LEU   9          HD12      LEU   9   3.586  -5.943   2.505
   60   HD13  LEU   9          HD13      LEU   9   4.482  -5.489   1.217
   61   HD21  LEU   9          HD21      LEU   9   1.785  -7.223  -0.376
   62   HD22  LEU   9          HD22      LEU   9   3.410  -7.207  -0.217
   63   HD23  LEU   9          HD23      LEU   9   2.473  -7.701   1.026
   64    H    MET  10           H        MET  10  -0.952  -4.481   2.790
   65    HA   MET  10           HA       MET  10  -2.959  -6.490   3.362
   66    HB2  MET  10           HB2      MET  10  -2.823  -5.762   5.640
   67    HB3  MET  10           HB3      MET  10  -1.371  -6.282   5.106
   68    HG2  MET  10           HG2      MET  10  -1.852  -3.520   4.863
   69    HG3  MET  10           HG3      MET  10  -1.649  -4.076   6.384
   70    HE1  MET  10           HE1      MET  10   0.264  -1.901   5.302
   71    HE2  MET  10           HE2      MET  10   0.463  -2.541   6.791
   72    HE3  MET  10           HE3      MET  10   1.734  -2.435   5.771
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1   0.179  10.261   0.723
    2    H2   GLY   1           H2       GLY   1   0.171  11.875   0.971
    3    H3   GLY   1           H3       GLY   1   1.361  10.958   1.609
    4    HA2  GLY   1           HA2      GLY   1  -0.188  11.535   3.222
    5    HA3  GLY   1           HA3      GLY   1  -1.370  10.839   2.337
    6    H    ASN   2           H        ASN   2  -1.911   8.761   2.651
    7    HA   ASN   2           HA       ASN   2  -0.614   7.377   4.701
    8    HB2  ASN   2           HB2      ASN   2  -2.770   6.778   2.913
    9    HB3  ASN   2           HB3      ASN   2  -2.063   5.493   3.630
   10   HD21  ASN   2          HD21      ASN   2  -2.169   5.177   5.909
   11   HD22  ASN   2          HD22      ASN   2  -3.392   5.993   6.825
   12    H    HIS   3           H        HIS   3  -0.146   4.877   4.312
   13    HA   HIS   3           HA       HIS   3   2.173   4.897   2.667
   14    HB2  HIS   3           HB2      HIS   3   1.489   3.536   4.862
   15    HB3  HIS   3           HB3      HIS   3   1.522   2.397   3.692
   16    HD2  HIS   3           HD2      HIS   3   4.011   1.605   2.873
   17    HE1  HIS   3           HE1      HIS   3   6.125   4.176   5.250
   18    HE2  HIS   3           HE2      HIS   3   6.374   2.254   3.711
   19    H    TRP   4           H        TRP   4   2.478   2.436   1.648
   20    HA   TRP   4           HA       TRP   4   0.374   2.338  -0.336
   21    HB2  TRP   4           HB2      TRP   4   2.067   1.307  -1.771
   22    HB3  TRP   4           HB3      TRP   4   2.409   2.855  -1.383
   23    HD1  TRP   4           HD1      TRP   4   4.458   3.259   0.330
   24    HE1  TRP   4           HE1      TRP   4   6.477   1.876   0.975
   25    HE3  TRP   4           HE3      TRP   4   2.877  -1.120  -1.489
   26    HZ2  TRP   4           HZ2      TRP   4   7.183  -0.810   0.670
   27    HZ3  TRP   4           HZ3      TRP   4   4.278  -3.033  -1.273
   28    HH2  TRP   4           HH2      TRP   4   6.401  -2.882  -0.208
   29    H    ALA   5           H        ALA   5   2.521   0.318   1.499
   30    HA   ALA   5           HA       ALA   5   1.543  -2.130   0.796
   31    HB1  ALA   5           HB1      ALA   5   2.525  -1.372   3.391
   32    HB2  ALA   5           HB2      ALA   5   2.393  -2.915   2.874
   33    HB3  ALA   5           HB3      ALA   5   3.452  -1.901   2.155
   34    H    VAL   6           H        VAL   6   0.108   0.216   2.819
   35    HA   VAL   6           HA       VAL   6  -1.692  -1.276   4.214
   36    HB   VAL   6           HB       VAL   6  -3.072   0.658   4.311
   37   HG11  VAL   6          HG11      VAL   6  -0.291   1.331   4.575
   38   HG12  VAL   6          HG12      VAL   6  -1.521   2.182   5.229
   39   HG13  VAL   6          HG13      VAL   6  -1.216   0.662   5.743
   40   HG21  VAL   6          HG21      VAL   6  -2.914   1.355   2.044
   41   HG22  VAL   6          HG22      VAL   6  -2.525   2.597   3.031
   42   HG23  VAL   6          HG23      VAL   6  -1.348   1.760   2.269
   43    H    GLY   7           H        GLY   7  -1.756  -0.500   0.886
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.964   0.641
   45    HA3  GLY   7           HA3      GLY   7  -3.878  -0.699  -0.322
   46    H    HIS   8           H        HIS   8  -1.105  -1.455  -0.637
   47    HA   HIS   8           HA       HIS   8  -1.439  -3.242  -2.806
   48    HB2  HIS   8           HB2      HIS   8   0.496  -1.470  -2.010
   49    HB3  HIS   8           HB3      HIS   8   1.207  -2.910  -2.307
   50    HD2  HIS   8           HD2      HIS   8  -1.552  -1.458  -4.514
   51    HE1  HIS   8           HE1      HIS   8   1.839  -1.783  -6.777
   52    HE2  HIS   8           HE2      HIS   8  -0.563  -1.198  -6.892
   53    H    LEU   9           H        LEU   9  -0.712  -3.589   0.451
   54    HA   LEU   9           HA       LEU   9   0.028  -6.364   0.020
   55    HB2  LEU   9           HB2      LEU   9   1.124  -4.464   1.837
   56    HB3  LEU   9           HB3      LEU   9   1.103  -6.033   2.290
   57    HG   LEU   9           HG       LEU   9   2.504  -5.036  -0.016
   58   HD11  LEU   9          HD11      LEU   9   3.585  -4.379   1.999
   59   HD12  LEU   9          HD12      LEU   9   3.594  -5.933   2.501
   60   HD13  LEU   9          HD13      LEU   9   4.489  -5.487   1.210
   61   HD21  LEU   9          HD21      LEU   9   1.787  -7.226  -0.370
   62   HD22  LEU   9          HD22      LEU   9   3.413  -7.211  -0.213
   63   HD23  LEU   9          HD23      LEU   9   2.476  -7.696   1.034
   64    H    MET  10           H        MET  10  -0.893  -4.514   2.831
   65    HA   MET  10           HA       MET  10  -2.888  -6.521   3.419
   66    HB2  MET  10           HB2      MET  10  -2.793  -5.678   5.674
   67    HB3  MET  10           HB3      MET  10  -1.342  -6.234   5.173
   68    HG2  MET  10           HG2      MET  10  -1.767  -3.489   4.770
   69    HG3  MET  10           HG3      MET  10  -1.648  -3.947   6.332
   70    HE1  MET  10           HE1      MET  10   0.343  -1.890   5.049
   71    HE2  MET  10           HE2      MET  10   0.464  -2.329   6.617
   72    HE3  MET  10           HE3      MET  10   1.782  -2.368   5.655
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -1.639  11.531   3.949
    2    H2   GLY   1           H2       GLY   1  -1.806  12.239   2.486
    3    H3   GLY   1           H3       GLY   1  -2.409  10.743   2.744
    4    HA2  GLY   1           HA2      GLY   1  -0.434  10.641   1.549
    5    HA3  GLY   1           HA3      GLY   1   0.336  11.430   2.754
    6    H    ASN   2           H        ASN   2  -1.915   8.756   2.654
    7    HA   ASN   2           HA       ASN   2  -0.593   7.388   4.696
    8    HB2  ASN   2           HB2      ASN   2  -2.759   6.761   2.927
    9    HB3  ASN   2           HB3      ASN   2  -2.049   5.494   3.673
   10   HD21  ASN   2          HD21      ASN   2  -1.659   5.918   6.155
   11   HD22  ASN   2          HD22      ASN   2  -3.070   6.494   6.977
   12    H    HIS   3           H        HIS   3  -0.128   4.885   4.324
   13    HA   HIS   3           HA       HIS   3   2.181   4.893   2.666
   14    HB2  HIS   3           HB2      HIS   3   1.501   3.538   4.865
   15    HB3  HIS   3           HB3      HIS   3   1.519   2.397   3.698
   16    HD2  HIS   3           HD2      HIS   3   3.991   1.530   2.941
   17    HE1  HIS   3           HE1      HIS   3   6.149   4.192   5.173
   18    HE2  HIS   3           HE2      HIS   3   6.366   2.194   3.731
   19    H    TRP   4           H        TRP   4   2.481   2.438   1.640
   20    HA   TRP   4           HA       TRP   4   0.367   2.342  -0.333
   21    HB2  TRP   4           HB2      TRP   4   2.052   1.315  -1.778
   22    HB3  TRP   4           HB3      TRP   4   2.400   2.861  -1.384
   23    HD1  TRP   4           HD1      TRP   4   4.457   3.250   0.326
   24    HE1  TRP   4           HE1      TRP   4   6.474   1.858   0.950
   25    HE3  TRP   4           HE3      TRP   4   2.858  -1.114  -1.516
   26    HZ2  TRP   4           HZ2      TRP   4   7.174  -0.826   0.626
   27    HZ3  TRP   4           HZ3      TRP   4   4.255  -3.031  -1.319
   28    HH2  TRP   4           HH2      TRP   4   6.384  -2.893  -0.261
   29    H    ALA   5           H        ALA   5   2.518   0.321   1.495
   30    HA   ALA   5           HA       ALA   5   1.540  -2.127   0.793
   31    HB1  ALA   5           HB1      ALA   5   2.523  -1.368   3.389
   32    HB2  ALA   5           HB2      ALA   5   2.393  -2.912   2.872
   33    HB3  ALA   5           HB3      ALA   5   3.451  -1.895   2.153
   34    H    VAL   6           H        VAL   6   0.105   0.217   2.817
   35    HA   VAL   6           HA       VAL   6  -1.693  -1.275   4.212
   36    HB   VAL   6           HB       VAL   6  -3.077   0.655   4.309
   37   HG11  VAL   6          HG11      VAL   6  -0.297   1.333   4.574
   38   HG12  VAL   6          HG12      VAL   6  -1.529   2.182   5.228
   39   HG13  VAL   6          HG13      VAL   6  -1.221   0.662   5.741
   40   HG21  VAL   6          HG21      VAL   6  -2.919   1.353   2.041
   41   HG22  VAL   6          HG22      VAL   6  -2.533   2.596   3.027
   42   HG23  VAL   6          HG23      VAL   6  -1.354   1.761   2.267
   43    H    GLY   7           H        GLY   7  -1.760  -0.500   0.885
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.971   0.640
   45    HA3  GLY   7           HA3      GLY   7  -3.883  -0.704  -0.321
   46    H    HIS   8           H        HIS   8  -1.103  -1.462  -0.626
   47    HA   HIS   8           HA       HIS   8  -1.434  -3.242  -2.802
   48    HB2  HIS   8           HB2      HIS   8   0.497  -1.468  -2.005
   49    HB3  HIS   8           HB3      HIS   8   1.212  -2.907  -2.293
   50    HD2  HIS   8           HD2      HIS   8  -1.495  -1.314  -4.487
   51    HE1  HIS   8           HE1      HIS   8   1.833  -1.914  -6.787
   52    HE2  HIS   8           HE2      HIS   8  -0.517  -1.143  -6.878
   53    H    LEU   9           H        LEU   9  -0.720  -3.598   0.457
   54    HA   LEU   9           HA       LEU   9   0.028  -6.369   0.019
   55    HB2  LEU   9           HB2      LEU   9   1.118  -4.475   1.846
   56    HB3  LEU   9           HB3      LEU   9   1.099  -6.046   2.290
   57    HG   LEU   9           HG       LEU   9   2.501  -5.034  -0.008
   58   HD11  LEU   9          HD11      LEU   9   3.589  -5.941   2.506
   59   HD12  LEU   9          HD12      LEU   9   4.485  -5.487   1.219
   60   HD13  LEU   9          HD13      LEU   9   3.577  -4.385   2.011
   61   HD21  LEU   9          HD21      LEU   9   1.788  -7.225  -0.373
   62   HD22  LEU   9          HD22      LEU   9   3.413  -7.209  -0.213
   63   HD23  LEU   9          HD23      LEU   9   2.476  -7.701   1.030
   64    H    MET  10           H        MET  10  -0.931  -4.498   2.807
   65    HA   MET  10           HA       MET  10  -2.932  -6.508   3.381
   66    HB2  MET  10           HB2      MET  10  -2.740  -5.965   5.631
   67    HB3  MET  10           HB3      MET  10  -1.212  -6.102   5.071
   68    HG2  MET  10           HG2      MET  10  -1.432  -3.610   4.751
   69    HG3  MET  10           HG3      MET  10  -2.585  -3.763   5.896
   70    HE1  MET  10           HE1      MET  10   1.121  -4.332   5.136
   71    HE2  MET  10           HE2      MET  10   0.793  -2.761   5.438
   72    HE3  MET  10           HE3      MET  10   1.765  -3.601   6.447
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -1.502  11.857   4.505
    2    H2   GLY   1           H2       GLY   1  -1.828  12.526   3.052
    3    H3   GLY   1           H3       GLY   1  -2.551  11.129   3.488
    4    HA2  GLY   1           HA2      GLY   1  -0.831  10.735   1.996
    5    HA3  GLY   1           HA3      GLY   1   0.218  11.464   3.013
    6    H    ASN   2           H        ASN   2  -1.688   8.676   2.429
    7    HA   ASN   2           HA       ASN   2  -0.615   7.357   4.732
    8    HB2  ASN   2           HB2      ASN   2  -2.749   6.771   2.907
    9    HB3  ASN   2           HB3      ASN   2  -2.061   5.490   3.650
   10   HD21  ASN   2          HD21      ASN   2  -2.746   8.698   4.858
   11   HD22  ASN   2          HD22      ASN   2  -3.782   8.190   6.150
   12    H    HIS   3           H        HIS   3  -0.159   4.858   4.305
   13    HA   HIS   3           HA       HIS   3   2.169   4.898   2.663
   14    HB2  HIS   3           HB2      HIS   3   1.508   3.540   4.864
   15    HB3  HIS   3           HB3      HIS   3   1.522   2.396   3.699
   16    HD2  HIS   3           HD2      HIS   3   3.995   1.551   2.906
   17    HE1  HIS   3           HE1      HIS   3   6.154   4.196   5.155
   18    HE2  HIS   3           HE2      HIS   3   6.372   2.218   3.688
   19    H    TRP   4           H        TRP   4   2.484   2.441   1.639
   20    HA   TRP   4           HA       TRP   4   0.376   2.339  -0.339
   21    HB2  TRP   4           HB2      TRP   4   2.067   1.305  -1.774
   22    HB3  TRP   4           HB3      TRP   4   2.409   2.854  -1.386
   23    HD1  TRP   4           HD1      TRP   4   4.462   3.259   0.322
   24    HE1  TRP   4           HE1      TRP   4   6.479   1.873   0.968
   25    HE3  TRP   4           HE3      TRP   4   2.874  -1.123  -1.486
   26    HZ2  TRP   4           HZ2      TRP   4   7.182  -0.811   0.667
   27    HZ3  TRP   4           HZ3      TRP   4   4.273  -3.037  -1.267
   28    HH2  TRP   4           HH2      TRP   4   6.398  -2.885  -0.203
   29    H    ALA   5           H        ALA   5   2.523   0.320   1.497
   30    HA   ALA   5           HA       ALA   5   1.541  -2.129   0.795
   31    HB1  ALA   5           HB1      ALA   5   2.525  -1.371   3.391
   32    HB2  ALA   5           HB2      ALA   5   2.392  -2.914   2.874
   33    HB3  ALA   5           HB3      ALA   5   3.452  -1.900   2.155
   34    H    VAL   6           H        VAL   6   0.109   0.218   2.817
   35    HA   VAL   6           HA       VAL   6  -1.691  -1.271   4.214
   36    HB   VAL   6           HB       VAL   6  -3.072   0.664   4.307
   37   HG11  VAL   6          HG11      VAL   6  -1.218   0.668   5.740
   38   HG12  VAL   6          HG12      VAL   6  -0.290   1.335   4.573
   39   HG13  VAL   6          HG13      VAL   6  -1.521   2.188   5.225
   40   HG21  VAL   6          HG21      VAL   6  -2.911   1.359   2.040
   41   HG22  VAL   6          HG22      VAL   6  -2.523   2.602   3.025
   42   HG23  VAL   6          HG23      VAL   6  -1.345   1.763   2.266
   43    H    GLY   7           H        GLY   7  -1.755  -0.500   0.884
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.962   0.641
   45    HA3  GLY   7           HA3      GLY   7  -3.878  -0.698  -0.322
   46    H    HIS   8           H        HIS   8  -1.105  -1.456  -0.635
   47    HA   HIS   8           HA       HIS   8  -1.440  -3.244  -2.804
   48    HB2  HIS   8           HB2      HIS   8   0.497  -1.471  -2.009
   49    HB3  HIS   8           HB3      HIS   8   1.207  -2.912  -2.303
   50    HD2  HIS   8           HD2      HIS   8  -1.549  -1.463  -4.514
   51    HE1  HIS   8           HE1      HIS   8   1.844  -1.795  -6.774
   52    HE2  HIS   8           HE2      HIS   8  -0.558  -1.209  -6.895
   53    H    LEU   9           H        LEU   9  -0.721  -3.593   0.455
   54    HA   LEU   9           HA       LEU   9   0.025  -6.364   0.024
   55    HB2  LEU   9           HB2      LEU   9   1.123  -4.466   1.842
   56    HB3  LEU   9           HB3      LEU   9   1.101  -6.035   2.293
   57    HG   LEU   9           HG       LEU   9   2.498  -5.037  -0.014
   58   HD11  LEU   9          HD11      LEU   9   3.582  -4.379   1.999
   59   HD12  LEU   9          HD12      LEU   9   3.592  -5.932   2.503
   60   HD13  LEU   9          HD13      LEU   9   4.485  -5.487   1.210
   61   HD21  LEU   9          HD21      LEU   9   1.783  -7.227  -0.367
   62   HD22  LEU   9          HD22      LEU   9   3.409  -7.212  -0.212
   63   HD23  LEU   9          HD23      LEU   9   2.475  -7.697   1.036
   64    H    MET  10           H        MET  10  -0.905  -4.503   2.827
   65    HA   MET  10           HA       MET  10  -2.891  -6.515   3.427
   66    HB2  MET  10           HB2      MET  10  -2.757  -5.821   5.668
   67    HB3  MET  10           HB3      MET  10  -1.237  -6.087   5.132
   68    HG2  MET  10           HG2      MET  10  -1.269  -3.620   4.665
   69    HG3  MET  10           HG3      MET  10  -2.470  -3.611   5.771
   70    HE1  MET  10           HE1      MET  10   1.220  -4.402   5.187
   71    HE2  MET  10           HE2      MET  10   0.951  -2.807   5.414
   72    HE3  MET  10           HE3      MET  10   1.848  -3.645   6.491
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -1.733  10.205   1.460
    2    H2   GLY   1           H2       GLY   1  -1.081  11.681   1.214
    3    H3   GLY   1           H3       GLY   1  -0.118  10.363   1.276
    4    HA2  GLY   1           HA2      GLY   1  -0.011  11.557   3.251
    5    HA3  GLY   1           HA3      GLY   1  -1.626  11.399   3.435
    6    H    ASN   2           H        ASN   2  -1.489   8.650   2.306
    7    HA   ASN   2           HA       ASN   2  -0.586   7.373   4.731
    8    HB2  ASN   2           HB2      ASN   2  -2.738   6.791   2.929
    9    HB3  ASN   2           HB3      ASN   2  -2.042   5.505   3.655
   10   HD21  ASN   2          HD21      ASN   2  -1.657   5.907   6.152
   11   HD22  ASN   2          HD22      ASN   2  -3.077   6.462   6.974
   12    H    HIS   3           H        HIS   3  -0.137   4.871   4.314
   13    HA   HIS   3           HA       HIS   3   2.183   4.898   2.662
   14    HB2  HIS   3           HB2      HIS   3   1.515   3.537   4.862
   15    HB3  HIS   3           HB3      HIS   3   1.531   2.397   3.693
   16    HD2  HIS   3           HD2      HIS   3   4.001   1.547   2.910
   17    HE1  HIS   3           HE1      HIS   3   6.163   4.192   5.158
   18    HE2  HIS   3           HE2      HIS   3   6.378   2.209   3.693
   19    H    TRP   4           H        TRP   4   2.480   2.438   1.639
   20    HA   TRP   4           HA       TRP   4   0.363   2.342  -0.331
   21    HB2  TRP   4           HB2      TRP   4   2.045   1.315  -1.780
   22    HB3  TRP   4           HB3      TRP   4   2.395   2.861  -1.385
   23    HD1  TRP   4           HD1      TRP   4   4.455   3.249   0.318
   24    HE1  TRP   4           HE1      TRP   4   6.473   1.855   0.941
   25    HE3  TRP   4           HE3      TRP   4   2.851  -1.115  -1.519
   26    HZ2  TRP   4           HZ2      TRP   4   7.170  -0.831   0.614
   27    HZ3  TRP   4           HZ3      TRP   4   4.245  -3.032  -1.324
   28    HH2  TRP   4           HH2      TRP   4   6.376  -2.896  -0.270
   29    H    ALA   5           H        ALA   5   2.518   0.322   1.494
   30    HA   ALA   5           HA       ALA   5   1.542  -2.126   0.794
   31    HB1  ALA   5           HB1      ALA   5   2.521  -1.367   3.390
   32    HB2  ALA   5           HB2      ALA   5   2.392  -2.910   2.873
   33    HB3  ALA   5           HB3      ALA   5   3.450  -1.895   2.155
   34    H    VAL   6           H        VAL   6   0.104   0.217   2.817
   35    HA   VAL   6           HA       VAL   6  -1.694  -1.277   4.212
   36    HB   VAL   6           HB       VAL   6  -3.078   0.654   4.310
   37   HG11  VAL   6          HG11      VAL   6  -0.298   1.332   4.574
   38   HG12  VAL   6          HG12      VAL   6  -1.530   2.181   5.229
   39   HG13  VAL   6          HG13      VAL   6  -1.222   0.661   5.741
   40   HG21  VAL   6          HG21      VAL   6  -2.921   1.352   2.042
   41   HG22  VAL   6          HG22      VAL   6  -2.535   2.595   3.029
   42   HG23  VAL   6          HG23      VAL   6  -1.356   1.760   2.267
   43    H    GLY   7           H        GLY   7  -1.759  -0.502   0.884
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.972   0.639
   45    HA3  GLY   7           HA3      GLY   7  -3.883  -0.705  -0.323
   46    H    HIS   8           H        HIS   8  -1.103  -1.463  -0.626
   47    HA   HIS   8           HA       HIS   8  -1.433  -3.244  -2.802
   48    HB2  HIS   8           HB2      HIS   8   0.493  -1.465  -2.007
   49    HB3  HIS   8           HB3      HIS   8   1.212  -2.904  -2.291
   50    HD2  HIS   8           HD2      HIS   8  -1.497  -1.317  -4.489
   51    HE1  HIS   8           HE1      HIS   8   1.831  -1.922  -6.789
   52    HE2  HIS   8           HE2      HIS   8  -0.519  -1.149  -6.880
   53    H    LEU   9           H        LEU   9  -0.726  -3.601   0.456
   54    HA   LEU   9           HA       LEU   9   0.026  -6.370   0.021
   55    HB2  LEU   9           HB2      LEU   9   1.118  -4.474   1.845
   56    HB3  LEU   9           HB3      LEU   9   1.101  -6.045   2.290
   57    HG   LEU   9           HG       LEU   9   2.499  -5.033  -0.012
   58   HD11  LEU   9          HD11      LEU   9   3.579  -4.383   2.005
   59   HD12  LEU   9          HD12      LEU   9   3.592  -5.939   2.500
   60   HD13  LEU   9          HD13      LEU   9   4.485  -5.485   1.211
   61   HD21  LEU   9          HD21      LEU   9   1.786  -7.223  -0.376
   62   HD22  LEU   9          HD22      LEU   9   3.412  -7.205  -0.219
   63   HD23  LEU   9          HD23      LEU   9   2.477  -7.698   1.026
   64    H    MET  10           H        MET  10  -0.886  -4.535   2.843
   65    HA   MET  10           HA       MET  10  -2.778  -6.589   3.531
   66    HB2  MET  10           HB2      MET  10  -2.738  -5.742   5.687
   67    HB3  MET  10           HB3      MET  10  -1.185  -5.716   5.183
   68    HG2  MET  10           HG2      MET  10  -1.796  -3.344   4.520
   69    HG3  MET  10           HG3      MET  10  -2.910  -3.535   5.698
   70    HE1  MET  10           HE1      MET  10   0.803  -4.495   5.257
   71    HE2  MET  10           HE2      MET  10   0.688  -2.909   4.883
   72    HE3  MET  10           HE3      MET  10   1.528  -3.379   6.203
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -0.765  10.251   1.294
    2    H2   GLY   1           H2       GLY   1  -0.500  11.858   1.411
    3    H3   GLY   1           H3       GLY   1   0.628  10.804   1.942
    4    HA2  GLY   1           HA2      GLY   1  -0.553  11.706   3.710
    5    HA3  GLY   1           HA3      GLY   1  -1.946  11.154   3.062
    6    H    ASN   2           H        ASN   2  -1.333   8.642   2.246
    7    HA   ASN   2           HA       ASN   2  -0.598   7.366   4.732
    8    HB2  ASN   2           HB2      ASN   2  -2.741   6.797   2.915
    9    HB3  ASN   2           HB3      ASN   2  -2.051   5.504   3.635
   10   HD21  ASN   2          HD21      ASN   2  -3.073   8.712   4.641
   11   HD22  ASN   2          HD22      ASN   2  -3.966   8.186   6.029
   12    H    HIS   3           H        HIS   3  -0.151   4.864   4.306
   13    HA   HIS   3           HA       HIS   3   2.176   4.897   2.664
   14    HB2  HIS   3           HB2      HIS   3   1.512   3.540   4.865
   15    HB3  HIS   3           HB3      HIS   3   1.520   2.397   3.700
   16    HD2  HIS   3           HD2      HIS   3   3.984   1.519   2.934
   17    HE1  HIS   3           HE1      HIS   3   6.163   4.195   5.131
   18    HE2  HIS   3           HE2      HIS   3   6.369   2.187   3.702
   19    H    TRP   4           H        TRP   4   2.482   2.439   1.640
   20    HA   TRP   4           HA       TRP   4   0.370   2.341  -0.335
   21    HB2  TRP   4           HB2      TRP   4   2.057   1.313  -1.778
   22    HB3  TRP   4           HB3      TRP   4   2.404   2.859  -1.384
   23    HD1  TRP   4           HD1      TRP   4   4.463   3.253   0.319
   24    HE1  TRP   4           HE1      TRP   4   6.478   1.861   0.953
   25    HE3  TRP   4           HE3      TRP   4   2.859  -1.119  -1.501
   26    HZ2  TRP   4           HZ2      TRP   4   7.174  -0.827   0.642
   27    HZ3  TRP   4           HZ3      TRP   4   4.252  -3.037  -1.290
   28    HH2  TRP   4           HH2      TRP   4   6.381  -2.895  -0.234
   29    H    ALA   5           H        ALA   5   2.520   0.322   1.497
   30    HA   ALA   5           HA       ALA   5   1.542  -2.127   0.795
   31    HB1  ALA   5           HB1      ALA   5   2.524  -1.369   3.390
   32    HB2  ALA   5           HB2      ALA   5   2.392  -2.912   2.873
   33    HB3  ALA   5           HB3      ALA   5   3.451  -1.898   2.154
   34    H    VAL   6           H        VAL   6   0.106   0.219   2.816
   35    HA   VAL   6           HA       VAL   6  -1.692  -1.273   4.212
   36    HB   VAL   6           HB       VAL   6  -3.076   0.660   4.308
   37   HG11  VAL   6          HG11      VAL   6  -0.295   1.336   4.573
   38   HG12  VAL   6          HG12      VAL   6  -1.527   2.186   5.226
   39   HG13  VAL   6          HG13      VAL   6  -1.220   0.667   5.740
   40   HG21  VAL   6          HG21      VAL   6  -2.917   1.353   2.039
   41   HG22  VAL   6          HG22      VAL   6  -2.531   2.597   3.024
   42   HG23  VAL   6          HG23      VAL   6  -1.352   1.761   2.265
   43    H    GLY   7           H        GLY   7  -1.760  -0.499   0.884
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.970   0.640
   45    HA3  GLY   7           HA3      GLY   7  -3.883  -0.704  -0.322
   46    H    HIS   8           H        HIS   8  -1.105  -1.458  -0.633
   47    HA   HIS   8           HA       HIS   8  -1.436  -3.243  -2.803
   48    HB2  HIS   8           HB2      HIS   8   0.497  -1.469  -2.007
   49    HB3  HIS   8           HB3      HIS   8   1.209  -2.909  -2.301
   50    HD2  HIS   8           HD2      HIS   8  -1.532  -1.401  -4.500
   51    HE1  HIS   8           HE1      HIS   8   1.835  -1.834  -6.780
   52    HE2  HIS   8           HE2      HIS   8  -0.549  -1.173  -6.884
   53    H    LEU   9           H        LEU   9  -0.718  -3.595   0.454
   54    HA   LEU   9           HA       LEU   9   0.032  -6.365   0.023
   55    HB2  LEU   9           HB2      LEU   9   1.123  -4.467   1.842
   56    HB3  LEU   9           HB3      LEU   9   1.103  -6.036   2.293
   57    HG   LEU   9           HG       LEU   9   2.503  -5.036  -0.012
   58   HD11  LEU   9          HD11      LEU   9   3.583  -4.377   2.002
   59   HD12  LEU   9          HD12      LEU   9   3.594  -5.931   2.505
   60   HD13  LEU   9          HD13      LEU   9   4.488  -5.484   1.214
   61   HD21  LEU   9          HD21      LEU   9   1.790  -7.225  -0.369
   62   HD22  LEU   9          HD22      LEU   9   3.415  -7.209  -0.211
   63   HD23  LEU   9          HD23      LEU   9   2.479  -7.696   1.035
   64    H    MET  10           H        MET  10  -0.918  -4.498   2.814
   65    HA   MET  10           HA       MET  10  -2.818  -6.554   3.495
   66    HB2  MET  10           HB2      MET  10  -2.804  -5.665   5.665
   67    HB3  MET  10           HB3      MET  10  -1.251  -5.831   5.186
   68    HG2  MET  10           HG2      MET  10  -1.436  -3.441   4.528
   69    HG3  MET  10           HG3      MET  10  -2.735  -3.422   5.518
   70    HE1  MET  10           HE1      MET  10   0.927  -4.646   5.552
   71    HE2  MET  10           HE2      MET  10   0.924  -3.037   5.273
   72    HE3  MET  10           HE3      MET  10   1.562  -3.625   6.657
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -2.287  11.583   4.095
    2    H2   GLY   1           H2       GLY   1  -2.204  12.291   2.626
    3    H3   GLY   1           H3       GLY   1  -2.741  10.755   2.763
    4    HA2  GLY   1           HA2      GLY   1  -0.564  10.801   1.992
    5    HA3  GLY   1           HA3      GLY   1  -0.109  11.629   3.324
    6    H    ASN   2           H        ASN   2  -1.590   8.641   2.319
    7    HA   ASN   2           HA       ASN   2  -0.589   7.385   4.709
    8    HB2  ASN   2           HB2      ASN   2  -2.753   6.775   2.933
    9    HB3  ASN   2           HB3      ASN   2  -2.045   5.498   3.663
   10   HD21  ASN   2          HD21      ASN   2  -3.723   8.489   4.238
   11   HD22  ASN   2          HD22      ASN   2  -4.343   8.062   5.798
   12    H    HIS   3           H        HIS   3  -0.133   4.880   4.318
   13    HA   HIS   3           HA       HIS   3   2.183   4.894   2.665
   14    HB2  HIS   3           HB2      HIS   3   1.497   3.533   4.862
   15    HB3  HIS   3           HB3      HIS   3   1.533   2.396   3.690
   16    HD2  HIS   3           HD2      HIS   3   4.018   1.572   2.919
   17    HE1  HIS   3           HE1      HIS   3   6.135   4.211   5.218
   18    HE2  HIS   3           HE2      HIS   3   6.383   2.241   3.740
   19    H    TRP   4           H        TRP   4   2.479   2.436   1.642
   20    HA   TRP   4           HA       TRP   4   0.366   2.342  -0.333
   21    HB2  TRP   4           HB2      TRP   4   2.048   1.314  -1.780
   22    HB3  TRP   4           HB3      TRP   4   2.397   2.860  -1.386
   23    HD1  TRP   4           HD1      TRP   4   4.455   3.251   0.322
   24    HE1  TRP   4           HE1      TRP   4   6.473   1.859   0.947
   25    HE3  TRP   4           HE3      TRP   4   2.856  -1.116  -1.517
   26    HZ2  TRP   4           HZ2      TRP   4   7.173  -0.826   0.622
   27    HZ3  TRP   4           HZ3      TRP   4   4.254  -3.032  -1.319
   28    HH2  TRP   4           HH2      TRP   4   6.382  -2.892  -0.263
   29    H    ALA   5           H        ALA   5   2.517   0.323   1.497
   30    HA   ALA   5           HA       ALA   5   1.541  -2.127   0.794
   31    HB1  ALA   5           HB1      ALA   5   2.522  -1.368   3.390
   32    HB2  ALA   5           HB2      ALA   5   2.393  -2.912   2.872
   33    HB3  ALA   5           HB3      ALA   5   3.451  -1.895   2.154
   34    H    VAL   6           H        VAL   6   0.105   0.216   2.816
   35    HA   VAL   6           HA       VAL   6  -1.694  -1.277   4.213
   36    HB   VAL   6           HB       VAL   6  -3.077   0.656   4.310
   37   HG11  VAL   6          HG11      VAL   6  -0.297   1.332   4.573
   38   HG12  VAL   6          HG12      VAL   6  -1.529   2.182   5.227
   39   HG13  VAL   6          HG13      VAL   6  -1.221   0.663   5.741
   40   HG21  VAL   6          HG21      VAL   6  -2.922   1.351   2.043
   41   HG22  VAL   6          HG22      VAL   6  -2.534   2.594   3.028
   42   HG23  VAL   6          HG23      VAL   6  -1.357   1.758   2.266
   43    H    GLY   7           H        GLY   7  -1.759  -0.502   0.885
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.972   0.640
   45    HA3  GLY   7           HA3      GLY   7  -3.883  -0.705  -0.321
   46    H    HIS   8           H        HIS   8  -1.103  -1.463  -0.627
   47    HA   HIS   8           HA       HIS   8  -1.434  -3.243  -2.803
   48    HB2  HIS   8           HB2      HIS   8   0.500  -1.469  -2.003
   49    HB3  HIS   8           HB3      HIS   8   1.212  -2.908  -2.300
   50    HD2  HIS   8           HD2      HIS   8  -1.506  -1.316  -4.480
   51    HE1  HIS   8           HE1      HIS   8   1.821  -1.884  -6.789
   52    HE2  HIS   8           HE2      HIS   8  -0.531  -1.127  -6.873
   53    H    LEU   9           H        LEU   9  -0.722  -3.599   0.456
   54    HA   LEU   9           HA       LEU   9   0.029  -6.368   0.019
   55    HB2  LEU   9           HB2      LEU   9   1.119  -4.473   1.845
   56    HB3  LEU   9           HB3      LEU   9   1.100  -6.043   2.291
   57    HG   LEU   9           HG       LEU   9   2.502  -5.036  -0.009
   58   HD11  LEU   9          HD11      LEU   9   3.580  -4.382   2.009
   59   HD12  LEU   9          HD12      LEU   9   3.591  -5.937   2.507
   60   HD13  LEU   9          HD13      LEU   9   4.487  -5.486   1.219
   61   HD21  LEU   9          HD21      LEU   9   1.790  -7.225  -0.371
   62   HD22  LEU   9          HD22      LEU   9   3.416  -7.208  -0.211
   63   HD23  LEU   9          HD23      LEU   9   2.478  -7.699   1.033
   64    H    MET  10           H        MET  10  -0.944  -4.487   2.796
   65    HA   MET  10           HA       MET  10  -2.950  -6.496   3.364
   66    HB2  MET  10           HB2      MET  10  -2.814  -5.765   5.644
   67    HB3  MET  10           HB3      MET  10  -1.365  -6.294   5.109
   68    HG2  MET  10           HG2      MET  10  -1.827  -3.530   4.862
   69    HG3  MET  10           HG3      MET  10  -1.633  -4.084   6.385
   70    HE1  MET  10           HE1      MET  10   0.307  -1.929   5.403
   71    HE2  MET  10           HE2      MET  10   0.495  -2.630   6.865
   72    HE3  MET  10           HE3      MET  10   1.770  -2.498   5.854
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -2.402  11.641   4.281
    2    H2   GLY   1           H2       GLY   1  -2.310  12.353   2.815
    3    H3   GLY   1           H3       GLY   1  -2.890  10.833   2.949
    4    HA2  GLY   1           HA2      GLY   1  -0.718  10.821   2.161
    5    HA3  GLY   1           HA3      GLY   1  -0.231  11.629   3.494
    6    H    ASN   2           H        ASN   2  -1.443   8.636   2.291
    7    HA   ASN   2           HA       ASN   2  -0.604   7.356   4.740
    8    HB2  ASN   2           HB2      ASN   2  -2.748   6.778   2.928
    9    HB3  ASN   2           HB3      ASN   2  -2.053   5.491   3.653
   10   HD21  ASN   2          HD21      ASN   2  -2.123   5.237   5.964
   11   HD22  ASN   2          HD22      ASN   2  -3.379   6.032   6.853
   12    H    HIS   3           H        HIS   3  -0.149   4.858   4.313
   13    HA   HIS   3           HA       HIS   3   2.172   4.897   2.662
   14    HB2  HIS   3           HB2      HIS   3   1.517   3.535   4.863
   15    HB3  HIS   3           HB3      HIS   3   1.533   2.394   3.695
   16    HD2  HIS   3           HD2      HIS   3   4.005   1.550   2.908
   17    HE1  HIS   3           HE1      HIS   3   6.164   4.208   5.142
   18    HE2  HIS   3           HE2      HIS   3   6.380   2.219   3.683
   19    H    TRP   4           H        TRP   4   2.486   2.445   1.633
   20    HA   TRP   4           HA       TRP   4   0.371   2.341  -0.337
   21    HB2  TRP   4           HB2      TRP   4   2.055   1.310  -1.780
   22    HB3  TRP   4           HB3      TRP   4   2.402   2.857  -1.389
   23    HD1  TRP   4           HD1      TRP   4   4.457   3.250   0.323
   24    HE1  TRP   4           HE1      TRP   4   6.475   1.860   0.951
   25    HE3  TRP   4           HE3      TRP   4   2.863  -1.117  -1.515
   26    HZ2  TRP   4           HZ2      TRP   4   7.177  -0.823   0.631
   27    HZ3  TRP   4           HZ3      TRP   4   4.262  -3.033  -1.314
   28    HH2  TRP   4           HH2      TRP   4   6.390  -2.891  -0.254
   29    H    ALA   5           H        ALA   5   2.521   0.322   1.496
   30    HA   ALA   5           HA       ALA   5   1.541  -2.125   0.795
   31    HB1  ALA   5           HB1      ALA   5   2.525  -1.365   3.390
   32    HB2  ALA   5           HB2      ALA   5   2.393  -2.909   2.875
   33    HB3  ALA   5           HB3      ALA   5   3.452  -1.895   2.155
   34    H    VAL   6           H        VAL   6   0.106   0.221   2.814
   35    HA   VAL   6           HA       VAL   6  -1.692  -1.270   4.212
   36    HB   VAL   6           HB       VAL   6  -3.076   0.662   4.306
   37   HG11  VAL   6          HG11      VAL   6  -0.295   1.339   4.572
   38   HG12  VAL   6          HG12      VAL   6  -1.528   2.189   5.225
   39   HG13  VAL   6          HG13      VAL   6  -1.221   0.670   5.739
   40   HG21  VAL   6          HG21      VAL   6  -2.917   1.357   2.038
   41   HG22  VAL   6          HG22      VAL   6  -2.530   2.600   3.023
   42   HG23  VAL   6          HG23      VAL   6  -1.352   1.764   2.263
   43    H    GLY   7           H        GLY   7  -1.757  -0.500   0.884
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.968   0.641
   45    HA3  GLY   7           HA3      GLY   7  -3.880  -0.703  -0.324
   46    H    HIS   8           H        HIS   8  -1.106  -1.456  -0.637
   47    HA   HIS   8           HA       HIS   8  -1.436  -3.246  -2.804
   48    HB2  HIS   8           HB2      HIS   8   0.496  -1.470  -2.009
   49    HB3  HIS   8           HB3      HIS   8   1.209  -2.910  -2.300
   50    HD2  HIS   8           HD2      HIS   8  -1.519  -1.361  -4.494
   51    HE1  HIS   8           HE1      HIS   8   1.826  -1.879  -6.789
   52    HE2  HIS   8           HE2      HIS   8  -0.541  -1.163  -6.884
   53    H    LEU   9           H        LEU   9  -0.718  -3.592   0.455
   54    HA   LEU   9           HA       LEU   9   0.031  -6.363   0.027
   55    HB2  LEU   9           HB2      LEU   9   1.123  -4.465   1.845
   56    HB3  LEU   9           HB3      LEU   9   1.103  -6.035   2.294
   57    HG   LEU   9           HG       LEU   9   2.502  -5.032  -0.010
   58   HD11  LEU   9          HD11      LEU   9   3.585  -4.375   2.004
   59   HD12  LEU   9          HD12      LEU   9   3.596  -5.930   2.506
   60   HD13  LEU   9          HD13      LEU   9   4.490  -5.482   1.215
   61   HD21  LEU   9          HD21      LEU   9   1.788  -7.224  -0.365
   62   HD22  LEU   9          HD22      LEU   9   3.414  -7.208  -0.208
   63   HD23  LEU   9          HD23      LEU   9   2.478  -7.695   1.038
   64    H    MET  10           H        MET  10  -0.904  -4.502   2.826
   65    HA   MET  10           HA       MET  10  -2.826  -6.546   3.490
   66    HB2  MET  10           HB2      MET  10  -2.731  -5.792   5.673
   67    HB3  MET  10           HB3      MET  10  -1.184  -5.800   5.153
   68    HG2  MET  10           HG2      MET  10  -1.665  -3.389   4.606
   69    HG3  MET  10           HG3      MET  10  -2.838  -3.568   5.728
   70    HE1  MET  10           HE1      MET  10   0.939  -4.043   5.180
   71    HE2  MET  10           HE2      MET  10   0.558  -2.455   5.196
   72    HE3  MET  10           HE3      MET  10   1.505  -3.079   6.371
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1   1.263  11.469   2.809
    2    H2   GLY   1           H2       GLY   1   0.225  12.722   2.678
    3    H3   GLY   1           H3       GLY   1   0.536  12.068   4.142
    4    HA2  GLY   1           HA2      GLY   1  -1.514  11.361   3.342
    5    HA3  GLY   1           HA3      GLY   1  -0.786  10.761   2.009
    6    H    ASN   2           H        ASN   2  -1.602   8.666   2.359
    7    HA   ASN   2           HA       ASN   2  -0.590   7.378   4.720
    8    HB2  ASN   2           HB2      ASN   2  -2.736   6.780   2.913
    9    HB3  ASN   2           HB3      ASN   2  -2.046   5.505   3.664
   10   HD21  ASN   2          HD21      ASN   2  -1.661   5.989   6.163
   11   HD22  ASN   2          HD22      ASN   2  -3.096   6.540   6.961
   12    H    HIS   3           H        HIS   3  -0.138   4.876   4.314
   13    HA   HIS   3           HA       HIS   3   2.181   4.899   2.662
   14    HB2  HIS   3           HB2      HIS   3   1.514   3.542   4.864
   15    HB3  HIS   3           HB3      HIS   3   1.520   2.400   3.697
   16    HD2  HIS   3           HD2      HIS   3   3.983   1.518   2.931
   17    HE1  HIS   3           HE1      HIS   3   6.168   4.184   5.129
   18    HE2  HIS   3           HE2      HIS   3   6.368   2.181   3.698
   19    H    TRP   4           H        TRP   4   2.479   2.436   1.642
   20    HA   TRP   4           HA       TRP   4   0.366   2.342  -0.331
   21    HB2  TRP   4           HB2      TRP   4   2.048   1.312  -1.778
   22    HB3  TRP   4           HB3      TRP   4   2.396   2.859  -1.387
   23    HD1  TRP   4           HD1      TRP   4   4.454   3.251   0.323
   24    HE1  TRP   4           HE1      TRP   4   6.473   1.859   0.948
   25    HE3  TRP   4           HE3      TRP   4   2.856  -1.115  -1.517
   26    HZ2  TRP   4           HZ2      TRP   4   7.173  -0.826   0.624
   27    HZ3  TRP   4           HZ3      TRP   4   4.255  -3.032  -1.319
   28    HH2  TRP   4           HH2      TRP   4   6.384  -2.890  -0.263
   29    H    ALA   5           H        ALA   5   2.519   0.323   1.496
   30    HA   ALA   5           HA       ALA   5   1.541  -2.127   0.795
   31    HB1  ALA   5           HB1      ALA   5   2.523  -1.367   3.391
   32    HB2  ALA   5           HB2      ALA   5   2.393  -2.910   2.874
   33    HB3  ALA   5           HB3      ALA   5   3.451  -1.895   2.155
   34    H    VAL   6           H        VAL   6   0.103   0.216   2.816
   35    HA   VAL   6           HA       VAL   6  -1.693  -1.278   4.213
   36    HB   VAL   6           HB       VAL   6  -3.077   0.656   4.309
   37   HG11  VAL   6          HG11      VAL   6  -0.297   1.331   4.574
   38   HG12  VAL   6          HG12      VAL   6  -1.528   2.181   5.227
   39   HG13  VAL   6          HG13      VAL   6  -1.222   0.662   5.741
   40   HG21  VAL   6          HG21      VAL   6  -2.920   1.351   2.043
   41   HG22  VAL   6          HG22      VAL   6  -2.533   2.594   3.028
   42   HG23  VAL   6          HG23      VAL   6  -1.355   1.758   2.267
   43    H    GLY   7           H        GLY   7  -1.760  -0.501   0.883
   44    HA2  GLY   7           HA2      GLY   7  -4.252  -1.972   0.640
   45    HA3  GLY   7           HA3      GLY   7  -3.883  -0.705  -0.322
   46    H    HIS   8           H        HIS   8  -1.105  -1.460  -0.630
   47    HA   HIS   8           HA       HIS   8  -1.433  -3.243  -2.804
   48    HB2  HIS   8           HB2      HIS   8   0.497  -1.468  -2.005
   49    HB3  HIS   8           HB3      HIS   8   1.211  -2.906  -2.297
   50    HD2  HIS   8           HD2      HIS   8  -1.503  -1.320  -4.486
   51    HE1  HIS   8           HE1      HIS   8   1.827  -1.897  -6.789
   52    HE2  HIS   8           HE2      HIS   8  -0.525  -1.137  -6.877
   53    H    LEU   9           H        LEU   9  -0.720  -3.598   0.454
   54    HA   LEU   9           HA       LEU   9   0.028  -6.369   0.020
   55    HB2  LEU   9           HB2      LEU   9   1.119  -4.473   1.844
   56    HB3  LEU   9           HB3      LEU   9   1.101  -6.043   2.290
   57    HG   LEU   9           HG       LEU   9   2.500  -5.033  -0.010
   58   HD11  LEU   9          HD11      LEU   9   3.580  -4.384   2.007
   59   HD12  LEU   9          HD12      LEU   9   3.592  -5.939   2.503
   60   HD13  LEU   9          HD13      LEU   9   4.486  -5.487   1.214
   61   HD21  LEU   9          HD21      LEU   9   1.788  -7.224  -0.374
   62   HD22  LEU   9          HD22      LEU   9   3.413  -7.206  -0.216
   63   HD23  LEU   9          HD23      LEU   9   2.477  -7.699   1.028
   64    H    MET  10           H        MET  10  -0.930  -4.494   2.806
   65    HA   MET  10           HA       MET  10  -2.954  -6.488   3.360
   66    HB2  MET  10           HB2      MET  10  -2.795  -5.807   5.648
   67    HB3  MET  10           HB3      MET  10  -1.348  -6.325   5.096
   68    HG2  MET  10           HG2      MET  10  -1.815  -3.554   4.907
   69    HG3  MET  10           HG3      MET  10  -1.607  -4.141   6.417
   70    HE1  MET  10           HE1      MET  10   0.315  -1.959   5.409
   71    HE2  MET  10           HE2      MET  10   0.518  -2.656   6.872
   72    HE3  MET  10           HE3      MET  10   1.784  -2.521   5.849
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1   0.522  12.038   4.174
    2    H2   GLY   1           H2       GLY   1  -0.598  12.943   3.403
    3    H3   GLY   1           H3       GLY   1  -1.006  12.106   4.745
    4    HA2  GLY   1           HA2      GLY   1  -1.765  11.035   2.844
    5    HA3  GLY   1           HA3      GLY   1  -0.237  10.967   2.272
    6    H    ASN   2           H        ASN   2  -1.503   8.650   2.318
    7    HA   ASN   2           HA       ASN   2  -0.606   7.358   4.737
    8    HB2  ASN   2           HB2      ASN   2  -2.747   6.788   2.921
    9    HB3  ASN   2           HB3      ASN   2  -2.055   5.496   3.642
   10   HD21  ASN   2          HD21      ASN   2  -1.822   5.625   6.096
   11   HD22  ASN   2          HD22      ASN   2  -3.195   6.270   6.931
   12    H    HIS   3           H        HIS   3  -0.150   4.861   4.312
   13    HA   HIS   3           HA       HIS   3   2.175   4.898   2.668
   14    HB2  HIS   3           HB2      HIS   3   1.519   3.541   4.868
   15    HB3  HIS   3           HB3      HIS   3   1.517   2.397   3.703
   16    HD2  HIS   3           HD2      HIS   3   3.973   1.507   2.932
   17    HE1  HIS   3           HE1      HIS   3   6.174   4.181   5.106
   18    HE2  HIS   3           HE2      HIS   3   6.363   2.165   3.682
   19    H    TRP   4           H        TRP   4   2.484   2.442   1.641
   20    HA   TRP   4           HA       TRP   4   0.374   2.344  -0.335
   21    HB2  TRP   4           HB2      TRP   4   2.062   1.316  -1.776
   22    HB3  TRP   4           HB3      TRP   4   2.409   2.862  -1.382
   23    HD1  TRP   4           HD1      TRP   4   4.463   3.253   0.331
   24    HE1  TRP   4           HE1      TRP   4   6.479   1.859   0.964
   25    HE3  TRP   4           HE3      TRP   4   2.865  -1.113  -1.508
   26    HZ2  TRP   4           HZ2      TRP   4   7.175  -0.826   0.645
   27    HZ3  TRP   4           HZ3      TRP   4   4.261  -3.032  -1.305
   28    HH2  TRP   4           HH2      TRP   4   6.388  -2.892  -0.242
   29    H    ALA   5           H        ALA   5   2.520   0.323   1.497
   30    HA   ALA   5           HA       ALA   5   1.540  -2.124   0.791
   31    HB1  ALA   5           HB1      ALA   5   2.524  -1.370   3.388
   32    HB2  ALA   5           HB2      ALA   5   2.392  -2.913   2.869
   33    HB3  ALA   5           HB3      ALA   5   3.451  -1.898   2.151
   34    H    VAL   6           H        VAL   6   0.106   0.221   2.811
   35    HA   VAL   6           HA       VAL   6  -1.693  -1.270   4.211
   36    HB   VAL   6           HB       VAL   6  -3.077   0.667   4.300
   37   HG11  VAL   6          HG11      VAL   6  -0.295   1.338   4.574
   38   HG12  VAL   6          HG12      VAL   6  -1.528   2.191   5.222
   39   HG13  VAL   6          HG13      VAL   6  -1.226   0.672   5.739
   40   HG21  VAL   6          HG21      VAL   6  -2.912   1.358   2.034
   41   HG22  VAL   6          HG22      VAL   6  -2.526   2.602   3.019
   42   HG23  VAL   6          HG23      VAL   6  -1.347   1.763   2.262
   43    H    GLY   7           H        GLY   7  -1.758  -0.503   0.882
   44    HA2  GLY   7           HA2      GLY   7  -4.253  -1.969   0.641
   45    HA3  GLY   7           HA3      GLY   7  -3.881  -0.706  -0.324
   46    H    HIS   8           H        HIS   8  -1.108  -1.459  -0.638
   47    HA   HIS   8           HA       HIS   8  -1.440  -3.251  -2.803
   48    HB2  HIS   8           HB2      HIS   8   0.493  -1.475  -2.013
   49    HB3  HIS   8           HB3      HIS   8   1.206  -2.915  -2.304
   50    HD2  HIS   8           HD2      HIS   8  -1.541  -1.423  -4.505
   51    HE1  HIS   8           HE1      HIS   8   1.828  -1.846  -6.787
   52    HE2  HIS   8           HE2      HIS   8  -0.559  -1.196  -6.891
   53    H    LEU   9           H        LEU   9  -0.715  -3.592   0.456
   54    HA   LEU   9           HA       LEU   9   0.033  -6.364   0.030
   55    HB2  LEU   9           HB2      LEU   9   1.128  -4.460   1.843
   56    HB3  LEU   9           HB3      LEU   9   1.110  -6.028   2.298
   57    HG   LEU   9           HG       LEU   9   2.505  -5.033  -0.011
   58   HD11  LEU   9          HD11      LEU   9   3.589  -4.370   2.000
   59   HD12  LEU   9          HD12      LEU   9   3.601  -5.922   2.506
   60   HD13  LEU   9          HD13      LEU   9   4.493  -5.478   1.212
   61   HD21  LEU   9          HD21      LEU   9   1.793  -7.225  -0.361
   62   HD22  LEU   9          HD22      LEU   9   3.418  -7.208  -0.206
   63   HD23  LEU   9          HD23      LEU   9   2.484  -7.692   1.043
   64    H    MET  10           H        MET  10  -0.886  -4.513   2.840
   65    HA   MET  10           HA       MET  10  -2.912  -6.500   3.403
   66    HB2  MET  10           HB2      MET  10  -2.691  -5.988   5.660
   67    HB3  MET  10           HB3      MET  10  -1.173  -6.150   5.082
   68    HG2  MET  10           HG2      MET  10  -1.304  -3.663   4.805
   69    HG3  MET  10           HG3      MET  10  -2.495  -3.779   5.916
   70    HE1  MET  10           HE1      MET  10   1.210  -3.907   5.275
   71    HE2  MET  10           HE2      MET  10   0.655  -2.474   5.828
   72    HE3  MET  10           HE3      MET  10   1.719  -3.335   6.717
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -0.406  12.185   4.596
    2    H2   GLY   1           H2       GLY   1  -1.272  12.885   3.401
    3    H3   GLY   1           H3       GLY   1  -1.986  11.818   4.409
    4    HA2  GLY   1           HA2      GLY   1  -1.518  10.839   2.370
    5    HA3  GLY   1           HA3      GLY   1   0.062  11.206   2.557
    6    H    ASN   2           H        ASN   2  -1.501   8.644   2.296
    7    HA   ASN   2           HA       ASN   2  -0.569   7.385   4.718
    8    HB2  ASN   2           HB2      ASN   2  -2.740   6.799   2.945
    9    HB3  ASN   2           HB3      ASN   2  -2.034   5.510   3.656
   10   HD21  ASN   2          HD21      ASN   2  -2.927   4.763   5.481
   11   HD22  ASN   2          HD22      ASN   2  -3.835   5.748   6.580
   12    H    HIS   3           H        HIS   3  -0.116   4.885   4.326
   13    HA   HIS   3           HA       HIS   3   2.190   4.894   2.661
   14    HB2  HIS   3           HB2      HIS   3   1.525   3.544   4.865
   15    HB3  HIS   3           HB3      HIS   3   1.524   2.399   3.699
   16    HD2  HIS   3           HD2      HIS   3   3.979   1.485   2.963
   17    HE1  HIS   3           HE1      HIS   3   6.183   4.192   5.094
   18    HE2  HIS   3           HE2      HIS   3   6.368   2.151   3.703
   19    H    TRP   4           H        TRP   4   2.481   2.437   1.635
   20    HA   TRP   4           HA       TRP   4   0.356   2.345  -0.326
   21    HB2  TRP   4           HB2      TRP   4   2.033   1.321  -1.785
   22    HB3  TRP   4           HB3      TRP   4   2.385   2.865  -1.389
   23    HD1  TRP   4           HD1      TRP   4   4.456   3.250   0.300
   24    HE1  TRP   4           HE1      TRP   4   6.474   1.852   0.915
   25    HE3  TRP   4           HE3      TRP   4   2.831  -1.115  -1.520
   26    HZ2  TRP   4           HZ2      TRP   4   7.162  -0.837   0.592
   27    HZ3  TRP   4           HZ3      TRP   4   4.223  -3.035  -1.327
   28    HH2  TRP   4           HH2      TRP   4   6.358  -2.901  -0.286
   29    H    ALA   5           H        ALA   5   2.513   0.329   1.497
   30    HA   ALA   5           HA       ALA   5   1.542  -2.122   0.794
   31    HB1  ALA   5           HB1      ALA   5   3.449  -1.888   2.155
   32    HB2  ALA   5           HB2      ALA   5   2.519  -1.362   3.390
   33    HB3  ALA   5           HB3      ALA   5   2.393  -2.906   2.872
   34    H    VAL   6           H        VAL   6   0.100   0.218   2.815
   35    HA   VAL   6           HA       VAL   6  -1.697  -1.277   4.212
   36    HB   VAL   6           HB       VAL   6  -3.084   0.653   4.305
   37   HG11  VAL   6          HG11      VAL   6  -0.305   1.335   4.572
   38   HG12  VAL   6          HG12      VAL   6  -1.538   2.183   5.224
   39   HG13  VAL   6          HG13      VAL   6  -1.229   0.664   5.739
   40   HG21  VAL   6          HG21      VAL   6  -2.926   1.347   2.038
   41   HG22  VAL   6          HG22      VAL   6  -2.542   2.592   3.023
   42   HG23  VAL   6          HG23      VAL   6  -1.362   1.758   2.264
   43    H    GLY   7           H        GLY   7  -1.763  -0.503   0.884
   44    HA2  GLY   7           HA2      GLY   7  -4.253  -1.977   0.639
   45    HA3  GLY   7           HA3      GLY   7  -3.886  -0.709  -0.322
   46    H    HIS   8           H        HIS   8  -1.103  -1.466  -0.623
   47    HA   HIS   8           HA       HIS   8  -1.430  -3.243  -2.802
   48    HB2  HIS   8           HB2      HIS   8   0.497  -1.465  -2.004
   49    HB3  HIS   8           HB3      HIS   8   1.215  -2.903  -2.291
   50    HD2  HIS   8           HD2      HIS   8  -1.485  -1.286  -4.480
   51    HE1  HIS   8           HE1      HIS   8   1.825  -1.933  -6.790
   52    HE2  HIS   8           HE2      HIS   8  -0.511  -1.127  -6.874
   53    H    LEU   9           H        LEU   9  -0.721  -3.601   0.456
   54    HA   LEU   9           HA       LEU   9   0.034  -6.369   0.021
   55    HB2  LEU   9           HB2      LEU   9   1.119  -4.473   1.847
   56    HB3  LEU   9           HB3      LEU   9   1.103  -6.044   2.291
   57    HG   LEU   9           HG       LEU   9   2.503  -5.030  -0.007
   58   HD11  LEU   9          HD11      LEU   9   3.580  -4.379   2.011
   59   HD12  LEU   9          HD12      LEU   9   3.594  -5.935   2.506
   60   HD13  LEU   9          HD13      LEU   9   4.489  -5.480   1.218
   61   HD21  LEU   9          HD21      LEU   9   1.796  -7.222  -0.373
   62   HD22  LEU   9          HD22      LEU   9   3.421  -7.202  -0.213
   63   HD23  LEU   9          HD23      LEU   9   2.484  -7.696   1.030
   64    H    MET  10           H        MET  10  -0.853  -4.570   2.872
   65    HA   MET  10           HA       MET  10  -2.720  -6.625   3.577
   66    HB2  MET  10           HB2      MET  10  -2.774  -5.641   5.698
   67    HB3  MET  10           HB3      MET  10  -1.209  -5.709   5.238
   68    HG2  MET  10           HG2      MET  10  -1.602  -3.370   4.454
   69    HG3  MET  10           HG3      MET  10  -2.871  -3.416   5.481
   70    HE1  MET  10           HE1      MET  10   0.863  -4.397   5.486
   71    HE2  MET  10           HE2      MET  10   0.760  -2.811   5.110
   72    HE3  MET  10           HE3      MET  10   1.460  -3.274   6.511
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -2.342  12.003   4.626
    2    H2   GLY   1           H2       GLY   1  -2.611  12.637   3.146
    3    H3   GLY   1           H3       GLY   1  -3.456  11.330   3.640
    4    HA2  GLY   1           HA2      GLY   1  -1.784  10.721   2.166
    5    HA3  GLY   1           HA3      GLY   1  -0.670  11.394   3.152
    6    H    ASN   2           H        ASN   2  -0.885   8.657   2.182
    7    HA   ASN   2           HA       ASN   2  -0.594   7.383   4.705
    8    HB2  ASN   2           HB2      ASN   2  -2.754   6.770   2.923
    9    HB3  ASN   2           HB3      ASN   2  -2.050   5.497   3.663
   10   HD21  ASN   2          HD21      ASN   2  -2.534   4.945   5.748
   11   HD22  ASN   2          HD22      ASN   2  -3.616   5.881   6.724
   12    H    HIS   3           H        HIS   3  -0.131   4.881   4.320
   13    HA   HIS   3           HA       HIS   3   2.181   4.896   2.665
   14    HB2  HIS   3           HB2      HIS   3   1.516   3.548   4.867
   15    HB3  HIS   3           HB3      HIS   3   1.508   2.400   3.706
   16    HD2  HIS   3           HD2      HIS   3   3.962   1.513   2.911
   17    HE1  HIS   3           HE1      HIS   3   6.174   4.144   5.123
   18    HE2  HIS   3           HE2      HIS   3   6.353   2.149   3.673
   19    H    TRP   4           H        TRP   4   2.478   2.435   1.643
   20    HA   TRP   4           HA       TRP   4   0.367   2.343  -0.331
   21    HB2  TRP   4           HB2      TRP   4   2.053   1.316  -1.778
   22    HB3  TRP   4           HB3      TRP   4   2.399   2.863  -1.384
   23    HD1  TRP   4           HD1      TRP   4   4.454   3.255   0.325
   24    HE1  TRP   4           HE1      TRP   4   6.473   1.867   0.954
   25    HE3  TRP   4           HE3      TRP   4   2.862  -1.114  -1.513
   26    HZ2  TRP   4           HZ2      TRP   4   7.177  -0.820   0.631
   27    HZ3  TRP   4           HZ3      TRP   4   4.262  -3.028  -1.312
   28    HH2  TRP   4           HH2      TRP   4   6.388  -2.886  -0.253
   29    H    ALA   5           H        ALA   5   2.516   0.323   1.499
   30    HA   ALA   5           HA       ALA   5   1.540  -2.126   0.792
   31    HB1  ALA   5           HB1      ALA   5   2.524  -1.370   3.387
   32    HB2  ALA   5           HB2      ALA   5   2.393  -2.913   2.868
   33    HB3  ALA   5           HB3      ALA   5   3.450  -1.896   2.149
   34    H    VAL   6           H        VAL   6   0.103   0.218   2.814
   35    HA   VAL   6           HA       VAL   6  -1.693  -1.277   4.212
   36    HB   VAL   6           HB       VAL   6  -3.077   0.656   4.309
   37   HG11  VAL   6          HG11      VAL   6  -0.296   1.331   4.573
   38   HG12  VAL   6          HG12      VAL   6  -1.527   2.181   5.228
   39   HG13  VAL   6          HG13      VAL   6  -1.221   0.661   5.741
   40   HG21  VAL   6          HG21      VAL   6  -2.918   1.353   2.042
   41   HG22  VAL   6          HG22      VAL   6  -2.531   2.595   3.028
   42   HG23  VAL   6          HG23      VAL   6  -1.353   1.759   2.268
   43    H    GLY   7           H        GLY   7  -1.760  -0.503   0.883
   44    HA2  GLY   7           HA2      GLY   7  -4.253  -1.972   0.640
   45    HA3  GLY   7           HA3      GLY   7  -3.884  -0.705  -0.321
   46    H    HIS   8           H        HIS   8  -1.103  -1.465  -0.623
   47    HA   HIS   8           HA       HIS   8  -1.434  -3.242  -2.802
   48    HB2  HIS   8           HB2      HIS   8   0.497  -1.468  -2.003
   49    HB3  HIS   8           HB3      HIS   8   1.210  -2.907  -2.298
   50    HD2  HIS   8           HD2      HIS   8  -1.510  -1.332  -4.483
   51    HE1  HIS   8           HE1      HIS   8   1.824  -1.879  -6.786
   52    HE2  HIS   8           HE2      HIS   8  -0.535  -1.136  -6.875
   53    H    LEU   9           H        LEU   9  -0.718  -3.599   0.456
   54    HA   LEU   9           HA       LEU   9   0.032  -6.369   0.018
   55    HB2  LEU   9           HB2      LEU   9   1.120  -4.473   1.844
   56    HB3  LEU   9           HB3      LEU   9   1.102  -6.043   2.291
   57    HG   LEU   9           HG       LEU   9   2.505  -5.034  -0.008
   58   HD11  LEU   9          HD11      LEU   9   3.581  -4.381   2.012
   59   HD12  LEU   9          HD12      LEU   9   3.592  -5.937   2.509
   60   HD13  LEU   9          HD13      LEU   9   4.489  -5.484   1.221
   61   HD21  LEU   9          HD21      LEU   9   1.794  -7.225  -0.371
   62   HD22  LEU   9          HD22      LEU   9   3.419  -7.208  -0.211
   63   HD23  LEU   9          HD23      LEU   9   2.481  -7.699   1.032
   64    H    MET  10           H        MET  10  -0.947  -4.485   2.790
   65    HA   MET  10           HA       MET  10  -2.970  -6.485   3.342
   66    HB2  MET  10           HB2      MET  10  -2.805  -5.835   5.633
   67    HB3  MET  10           HB3      MET  10  -1.353  -6.331   5.075
   68    HG2  MET  10           HG2      MET  10  -1.858  -3.563   4.930
   69    HG3  MET  10           HG3      MET  10  -1.623  -4.173   6.426
   70    HE1  MET  10           HE1      MET  10   0.224  -1.933   5.226
   71    HE2  MET  10           HE2      MET  10   0.459  -2.516   6.733
   72    HE3  MET  10           HE3      MET  10   1.712  -2.421   5.689
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -2.227  11.169   3.537
    2    H2   GLY   1           H2       GLY   1  -1.934  12.030   2.181
    3    H3   GLY   1           H3       GLY   1  -2.262  10.433   2.080
    4    HA2  GLY   1           HA2      GLY   1   0.000  10.828   1.826
    5    HA3  GLY   1           HA3      GLY   1   0.036  11.563   3.283
    6    H    ASN   2           H        ASN   2  -1.838   8.757   2.623
    7    HA   ASN   2           HA       ASN   2  -0.606   7.363   4.733
    8    HB2  ASN   2           HB2      ASN   2  -2.745   6.794   2.911
    9    HB3  ASN   2           HB3      ASN   2  -2.057   5.501   3.633
   10   HD21  ASN   2          HD21      ASN   2  -2.425   4.998   5.785
   11   HD22  ASN   2          HD22      ASN   2  -3.572   5.885   6.732
   12    H    HIS   3           H        HIS   3  -0.157   4.861   4.307
   13    HA   HIS   3           HA       HIS   3   2.173   4.896   2.670
   14    HB2  HIS   3           HB2      HIS   3   1.491   3.529   4.865
   15    HB3  HIS   3           HB3      HIS   3   1.530   2.393   3.692
   16    HD2  HIS   3           HD2      HIS   3   4.015   1.549   2.961
   17    HE1  HIS   3           HE1      HIS   3   6.130   4.239   5.197
   18    HE2  HIS   3           HE2      HIS   3   6.378   2.241   3.764
   19    H    TRP   4           H        TRP   4   2.482   2.440   1.644
   20    HA   TRP   4           HA       TRP   4   0.377   2.343  -0.337
   21    HB2  TRP   4           HB2      TRP   4   2.068   1.312  -1.773
   22    HB3  TRP   4           HB3      TRP   4   2.412   2.860  -1.382
   23    HD1  TRP   4           HD1      TRP   4   4.464   3.259   0.329
   24    HE1  TRP   4           HE1      TRP   4   6.481   1.869   0.970
   25    HE3  TRP   4           HE3      TRP   4   2.872  -1.117  -1.492
   26    HZ2  TRP   4           HZ2      TRP   4   7.180  -0.816   0.664
   27    HZ3  TRP   4           HZ3      TRP   4   4.268  -3.034  -1.276
   28    HH2  TRP   4           HH2      TRP   4   6.393  -2.888  -0.210
   29    H    ALA   5           H        ALA   5   2.521   0.321   1.498
   30    HA   ALA   5           HA       ALA   5   1.539  -2.126   0.790
   31    HB1  ALA   5           HB1      ALA   5   2.526  -1.373   3.386
   32    HB2  ALA   5           HB2      ALA   5   2.392  -2.916   2.866
   33    HB3  ALA   5           HB3      ALA   5   3.451  -1.901   2.148
   34    H    VAL   6           H        VAL   6   0.108   0.220   2.812
   35    HA   VAL   6           HA       VAL   6  -1.691  -1.269   4.212
   36    HB   VAL   6           HB       VAL   6  -3.075   0.665   4.301
   37   HG11  VAL   6          HG11      VAL   6  -0.293   1.336   4.575
   38   HG12  VAL   6          HG12      VAL   6  -1.526   2.189   5.224
   39   HG13  VAL   6          HG13      VAL   6  -1.224   0.669   5.739
   40   HG21  VAL   6          HG21      VAL   6  -2.909   1.359   2.034
   41   HG22  VAL   6          HG22      VAL   6  -2.523   2.602   3.019
   42   HG23  VAL   6          HG23      VAL   6  -1.343   1.763   2.263
   43    H    GLY   7           H        GLY   7  -1.760  -0.499   0.882
   44    HA2  GLY   7           HA2      GLY   7  -4.253  -1.968   0.642
   45    HA3  GLY   7           HA3      GLY   7  -3.883  -0.704  -0.322
   46    H    HIS   8           H        HIS   8  -1.106  -1.461  -0.631
   47    HA   HIS   8           HA       HIS   8  -1.439  -3.248  -2.801
   48    HB2  HIS   8           HB2      HIS   8   0.495  -1.472  -2.009
   49    HB3  HIS   8           HB3      HIS   8   1.207  -2.912  -2.301
   50    HD2  HIS   8           HD2      HIS   8  -1.546  -1.453  -4.511
   51    HE1  HIS   8           HE1      HIS   8   1.842  -1.813  -6.775
   52    HE2  HIS   8           HE2      HIS   8  -0.556  -1.208  -6.892
   53    H    LEU   9           H        LEU   9  -0.724  -3.597   0.457
   54    HA   LEU   9           HA       LEU   9   0.027  -6.368   0.026
   55    HB2  LEU   9           HB2      LEU   9   1.120  -4.470   1.846
   56    HB3  LEU   9           HB3      LEU   9   1.101  -6.040   2.294
   57    HG   LEU   9           HG       LEU   9   2.499  -5.036  -0.010
   58   HD11  LEU   9          HD11      LEU   9   3.580  -4.380   2.005
   59   HD12  LEU   9          HD12      LEU   9   3.592  -5.934   2.505
   60   HD13  LEU   9          HD13      LEU   9   4.486  -5.485   1.214
   61   HD21  LEU   9          HD21      LEU   9   1.785  -7.227  -0.367
   62   HD22  LEU   9          HD22      LEU   9   3.410  -7.210  -0.211
   63   HD23  LEU   9          HD23      LEU   9   2.476  -7.698   1.036
   64    H    MET  10           H        MET  10  -0.927  -4.491   2.811
   65    HA   MET  10           HA       MET  10  -2.934  -6.495   3.388
   66    HB2  MET  10           HB2      MET  10  -2.765  -5.877   5.650
   67    HB3  MET  10           HB3      MET  10  -1.259  -6.176   5.094
   68    HG2  MET  10           HG2      MET  10  -1.142  -3.725   4.728
   69    HG3  MET  10           HG3      MET  10  -2.413  -3.656   5.751
   70    HE1  MET  10           HE1      MET  10   1.296  -4.096   5.402
   71    HE2  MET  10           HE2      MET  10   0.808  -2.606   5.860
   72    HE3  MET  10           HE3      MET  10   1.741  -3.502   6.857
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1   0.226  12.106   4.405
    2    H2   GLY   1           H2       GLY   1  -0.798  12.899   3.409
    3    H3   GLY   1           H3       GLY   1  -1.388  11.920   4.576
    4    HA2  GLY   1           HA2      GLY   1  -1.488  10.892   2.510
    5    HA3  GLY   1           HA3      GLY   1   0.125  11.078   2.338
    6    H    ASN   2           H        ASN   2  -1.637   8.685   2.411
    7    HA   ASN   2           HA       ASN   2  -0.602   7.362   4.734
    8    HB2  ASN   2           HB2      ASN   2  -2.740   6.797   2.913
    9    HB3  ASN   2           HB3      ASN   2  -2.052   5.504   3.635
   10   HD21  ASN   2          HD21      ASN   2  -2.124   5.250   5.950
   11   HD22  ASN   2          HD22      ASN   2  -3.383   6.044   6.835
   12    H    HIS   3           H        HIS   3  -0.152   4.862   4.307
   13    HA   HIS   3           HA       HIS   3   2.174   4.898   2.664
   14    HB2  HIS   3           HB2      HIS   3   1.518   3.544   4.867
   15    HB3  HIS   3           HB3      HIS   3   1.514   2.398   3.704
   16    HD2  HIS   3           HD2      HIS   3   3.970   1.509   2.922
   17    HE1  HIS   3           HE1      HIS   3   6.175   4.172   5.105
   18    HE2  HIS   3           HE2      HIS   3   6.360   2.164   3.674
   19    H    TRP   4           H        TRP   4   2.482   2.439   1.639
   20    HA   TRP   4           HA       TRP   4   0.372   2.342  -0.336
   21    HB2  TRP   4           HB2      TRP   4   2.057   1.310  -1.777
   22    HB3  TRP   4           HB3      TRP   4   2.404   2.858  -1.387
   23    HD1  TRP   4           HD1      TRP   4   4.459   3.252   0.326
   24    HE1  TRP   4           HE1      TRP   4   6.476   1.862   0.958
   25    HE3  TRP   4           HE3      TRP   4   2.866  -1.117  -1.509
   26    HZ2  TRP   4           HZ2      TRP   4   7.177  -0.824   0.641
   27    HZ3  TRP   4           HZ3      TRP   4   4.261  -3.033  -1.304
   28    HH2  TRP   4           HH2      TRP   4   6.388  -2.893  -0.244
   29    H    ALA   5           H        ALA   5   2.519   0.321   1.497
   30    HA   ALA   5           HA       ALA   5   1.541  -2.126   0.794
   31    HB1  ALA   5           HB1      ALA   5   2.523  -1.369   3.390
   32    HB2  ALA   5           HB2      ALA   5   2.392  -2.912   2.873
   33    HB3  ALA   5           HB3      ALA   5   3.451  -1.897   2.154
   34    H    VAL   6           H        VAL   6   0.106   0.219   2.814
   35    HA   VAL   6           HA       VAL   6  -1.691  -1.273   4.211
   36    HB   VAL   6           HB       VAL   6  -3.075   0.660   4.308
   37   HG11  VAL   6          HG11      VAL   6  -1.220   0.667   5.740
   38   HG12  VAL   6          HG12      VAL   6  -0.295   1.336   4.573
   39   HG13  VAL   6          HG13      VAL   6  -1.526   2.186   5.226
   40   HG21  VAL   6          HG21      VAL   6  -2.916   1.355   2.039
   41   HG22  VAL   6          HG22      VAL   6  -2.529   2.598   3.025
   42   HG23  VAL   6          HG23      VAL   6  -1.351   1.762   2.265
   43    H    GLY   7           H        GLY   7  -1.758  -0.501   0.884
   44    HA2  GLY   7           HA2      GLY   7  -4.253  -1.968   0.640
   45    HA3  GLY   7           HA3      GLY   7  -3.882  -0.703  -0.323
   46    H    HIS   8           H        HIS   8  -1.104  -1.458  -0.632
   47    HA   HIS   8           HA       HIS   8  -1.437  -3.244  -2.803
   48    HB2  HIS   8           HB2      HIS   8   0.497  -1.470  -2.007
   49    HB3  HIS   8           HB3      HIS   8   1.210  -2.910  -2.300
   50    HD2  HIS   8           HD2      HIS   8  -1.520  -1.367  -4.493
   51    HE1  HIS   8           HE1      HIS   8   1.829  -1.864  -6.785
   52    HE2  HIS   8           HE2      HIS   8  -0.538  -1.160  -6.883
   53    H    LEU   9           H        LEU   9  -0.717  -3.594   0.455
   54    HA   LEU   9           HA       LEU   9   0.029  -6.366   0.024
   55    HB2  LEU   9           HB2      LEU   9   1.120  -4.469   1.845
   56    HB3  LEU   9           HB3      LEU   9   1.100  -6.039   2.293
   57    HG   LEU   9           HG       LEU   9   2.502  -5.034  -0.009
   58   HD11  LEU   9          HD11      LEU   9   3.581  -4.380   2.007
   59   HD12  LEU   9          HD12      LEU   9   3.592  -5.935   2.507
   60   HD13  LEU   9          HD13      LEU   9   4.488  -5.485   1.217
   61   HD21  LEU   9          HD21      LEU   9   1.788  -7.226  -0.367
   62   HD22  LEU   9          HD22      LEU   9   3.413  -7.209  -0.208
   63   HD23  LEU   9          HD23      LEU   9   2.476  -7.698   1.037
   64    H    MET  10           H        MET  10  -0.926  -4.494   2.811
   65    HA   MET  10           HA       MET  10  -2.841  -6.545   3.474
   66    HB2  MET  10           HB2      MET  10  -2.761  -5.772   5.660
   67    HB3  MET  10           HB3      MET  10  -1.211  -5.805   5.148
   68    HG2  MET  10           HG2      MET  10  -1.470  -3.429   4.649
   69    HG3  MET  10           HG3      MET  10  -2.861  -3.496   5.501
   70    HE1  MET  10           HE1      MET  10   0.920  -3.574   5.662
   71    HE2  MET  10           HE2      MET  10   0.277  -2.081   5.810
   72    HE3  MET  10           HE3      MET  10   1.119  -2.734   7.047
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -2.921  10.608   2.482
    2    H2   GLY   1           H2       GLY   1  -2.170  11.719   1.550
    3    H3   GLY   1           H3       GLY   1  -1.831  10.132   1.362
    4    HA2  GLY   1           HA2      GLY   1  -0.155  11.199   2.541
    5    HA3  GLY   1           HA3      GLY   1  -1.244  11.675   3.660
    6    H    ASN   2           H        ASN   2  -1.430   8.592   2.191
    7    HA   ASN   2           HA       ASN   2  -0.592   7.396   4.684
    8    HB2  ASN   2           HB2      ASN   2  -2.766   6.743   2.931
    9    HB3  ASN   2           HB3      ASN   2  -2.047   5.487   3.688
   10   HD21  ASN   2          HD21      ASN   2  -3.046   8.723   4.616
   11   HD22  ASN   2          HD22      ASN   2  -3.921   8.240   6.030
   12    H    HIS   3           H        HIS   3  -0.117   4.893   4.329
   13    HA   HIS   3           HA       HIS   3   2.184   4.898   2.663
   14    HB2  HIS   3           HB2      HIS   3   1.505   3.543   4.863
   15    HB3  HIS   3           HB3      HIS   3   1.520   2.401   3.695
   16    HD2  HIS   3           HD2      HIS   3   3.995   1.561   2.895
   17    HE1  HIS   3           HE1      HIS   3   6.151   4.168   5.194
   18    HE2  HIS   3           HE2      HIS   3   6.371   2.206   3.702
   19    H    TRP   4           H        TRP   4   2.476   2.434   1.646
   20    HA   TRP   4           HA       TRP   4   0.364   2.340  -0.330
   21    HB2  TRP   4           HB2      TRP   4   2.050   1.310  -1.775
   22    HB3  TRP   4           HB3      TRP   4   2.391   2.859  -1.388
   23    HD1  TRP   4           HD1      TRP   4   4.458   3.270   0.299
   24    HE1  TRP   4           HE1      TRP   4   6.479   1.888   0.937
   25    HE3  TRP   4           HE3      TRP   4   2.856  -1.120  -1.476
   26    HZ2  TRP   4           HZ2      TRP   4   7.178  -0.801   0.647
   27    HZ3  TRP   4           HZ3      TRP   4   4.254  -3.033  -1.257
   28    HH2  TRP   4           HH2      TRP   4   6.386  -2.879  -0.210
   29    H    ALA   5           H        ALA   5   2.516   0.325   1.500
   30    HA   ALA   5           HA       ALA   5   1.543  -2.127   0.798
   31    HB1  ALA   5           HB1      ALA   5   2.520  -1.367   3.394
   32    HB2  ALA   5           HB2      ALA   5   2.392  -2.911   2.876
   33    HB3  ALA   5           HB3      ALA   5   3.450  -1.894   2.159
   34    H    VAL   6           H        VAL   6   0.104   0.215   2.819
   35    HA   VAL   6           HA       VAL   6  -1.695  -1.279   4.213
   36    HB   VAL   6           HB       VAL   6  -3.078   0.653   4.312
   37   HG11  VAL   6          HG11      VAL   6  -0.298   1.332   4.572
   38   HG12  VAL   6          HG12      VAL   6  -1.530   2.181   5.228
   39   HG13  VAL   6          HG13      VAL   6  -1.221   0.661   5.741
   40   HG21  VAL   6          HG21      VAL   6  -2.928   1.348   2.046
   41   HG22  VAL   6          HG22      VAL   6  -2.540   2.592   3.031
   42   HG23  VAL   6          HG23      VAL   6  -1.362   1.758   2.267
   43    H    GLY   7           H        GLY   7  -1.759  -0.504   0.885
   44    HA2  GLY   7           HA2      GLY   7  -4.254  -1.970   0.638
   45    HA3  GLY   7           HA3      GLY   7  -3.878  -0.706  -0.325
   46    H    HIS   8           H        HIS   8  -1.107  -1.452  -0.645
   47    HA   HIS   8           HA       HIS   8  -1.440  -3.247  -2.807
   48    HB2  HIS   8           HB2      HIS   8   0.498  -1.472  -2.013
   49    HB3  HIS   8           HB3      HIS   8   1.207  -2.912  -2.315
   50    HD2  HIS   8           HD2      HIS   8  -1.589  -1.632  -4.548
   51    HE1  HIS   8           HE1      HIS   8   1.853  -1.651  -6.758
   52    HE2  HIS   8           HE2      HIS   8  -0.590  -1.276  -6.910
   53    H    LEU   9           H        LEU   9  -0.722  -3.590   0.451
   54    HA   LEU   9           HA       LEU   9   0.028  -6.362   0.024
   55    HB2  LEU   9           HB2      LEU   9   1.130  -4.461   1.836
   56    HB3  LEU   9           HB3      LEU   9   1.114  -6.031   2.286
   57    HG   LEU   9           HG       LEU   9   2.500  -5.027  -0.026
   58   HD11  LEU   9          HD11      LEU   9   3.590  -4.369   1.983
   59   HD12  LEU   9          HD12      LEU   9   3.606  -5.924   2.484
   60   HD13  LEU   9          HD13      LEU   9   4.492  -5.475   1.188
   61   HD21  LEU   9          HD21      LEU   9   1.786  -7.217  -0.379
   62   HD22  LEU   9          HD22      LEU   9   3.412  -7.200  -0.231
   63   HD23  LEU   9          HD23      LEU   9   2.483  -7.689   1.020
   64    H    MET  10           H        MET  10  -0.848  -4.535   2.860
   65    HA   MET  10           HA       MET  10  -2.892  -6.505   3.419
   66    HB2  MET  10           HB2      MET  10  -2.652  -6.008   5.678
   67    HB3  MET  10           HB3      MET  10  -1.139  -6.179   5.088
   68    HG2  MET  10           HG2      MET  10  -1.166  -3.719   4.850
   69    HG3  MET  10           HG3      MET  10  -2.449  -3.766   5.859
   70    HE1  MET  10           HE1      MET  10   1.252  -4.705   5.532
   71    HE2  MET  10           HE2      MET  10   1.058  -3.098   5.750
   72    HE3  MET  10           HE3      MET  10   1.820  -3.990   6.886
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -0.868  10.219   1.234
    2    H2   GLY   1           H2       GLY   1  -0.500  11.809   1.294
    3    H3   GLY   1           H3       GLY   1   0.629  10.694   1.681
    4    HA2  GLY   1           HA2      GLY   1  -0.250  11.672   3.580
    5    HA3  GLY   1           HA3      GLY   1  -1.746  11.197   3.133
    6    H    ASN   2           H        ASN   2  -1.490   8.661   2.324
    7    HA   ASN   2           HA       ASN   2  -0.595   7.362   4.739
    8    HB2  ASN   2           HB2      ASN   2  -2.737   6.801   2.919
    9    HB3  ASN   2           HB3      ASN   2  -2.049   5.506   3.637
   10   HD21  ASN   2          HD21      ASN   2  -3.531   8.592   4.348
   11   HD22  ASN   2          HD22      ASN   2  -4.250   8.110   5.849
   12    H    HIS   3           H        HIS   3  -0.150   4.864   4.306
   13    HA   HIS   3           HA       HIS   3   2.178   4.897   2.662
   14    HB2  HIS   3           HB2      HIS   3   1.531   3.550   4.866
   15    HB3  HIS   3           HB3      HIS   3   1.511   2.400   3.707
   16    HD2  HIS   3           HD2      HIS   3   3.958   1.522   2.870
   17    HE1  HIS   3           HE1      HIS   3   6.191   4.127   5.096
   18    HE2  HIS   3           HE2      HIS   3   6.357   2.149   3.619
   19    H    TRP   4           H        TRP   4   2.483   2.440   1.638
   20    HA   TRP   4           HA       TRP   4   0.368   2.341  -0.334
   21    HB2  TRP   4           HB2      TRP   4   2.054   1.313  -1.779
   22    HB3  TRP   4           HB3      TRP   4   2.401   2.859  -1.385
   23    HD1  TRP   4           HD1      TRP   4   4.459   3.252   0.319
   24    HE1  TRP   4           HE1      TRP   4   6.477   1.857   0.949
   25    HE3  TRP   4           HE3      TRP   4   2.857  -1.119  -1.508
   26    HZ2  TRP   4           HZ2      TRP   4   7.173  -0.827   0.631
   27    HZ3  TRP   4           HZ3      TRP   4   4.252  -3.036  -1.304
   28    HH2  TRP   4           HH2      TRP   4   6.381  -2.895  -0.247
   29    H    ALA   5           H        ALA   5   2.519   0.323   1.496
   30    HA   ALA   5           HA       ALA   5   1.543  -2.127   0.797
   31    HB1  ALA   5           HB1      ALA   5   2.523  -1.365   3.391
   32    HB2  ALA   5           HB2      ALA   5   2.393  -2.909   2.876
   33    HB3  ALA   5           HB3      ALA   5   3.451  -1.894   2.156
   34    H    VAL   6           H        VAL   6   0.105   0.218   2.818
   35    HA   VAL   6           HA       VAL   6  -1.693  -1.274   4.212
   36    HB   VAL   6           HB       VAL   6  -3.077   0.660   4.307
   37   HG11  VAL   6          HG11      VAL   6  -0.296   1.335   4.575
   38   HG12  VAL   6          HG12      VAL   6  -1.528   2.185   5.226
   39   HG13  VAL   6          HG13      VAL   6  -1.223   0.666   5.741
   40   HG21  VAL   6          HG21      VAL   6  -2.917   1.354   2.040
   41   HG22  VAL   6          HG22      VAL   6  -2.530   2.597   3.026
   42   HG23  VAL   6          HG23      VAL   6  -1.352   1.761   2.266
   43    H    GLY   7           H        GLY   7  -1.758  -0.502   0.883
   44    HA2  GLY   7           HA2      GLY   7  -4.253  -1.968   0.639
   45    HA3  GLY   7           HA3      GLY   7  -3.879  -0.704  -0.325
   46    H    HIS   8           H        HIS   8  -1.105  -1.457  -0.636
   47    HA   HIS   8           HA       HIS   8  -1.437  -3.245  -2.804
   48    HB2  HIS   8           HB2      HIS   8   0.497  -1.470  -2.010
   49    HB3  HIS   8           HB3      HIS   8   1.209  -2.909  -2.304
   50    HD2  HIS   8           HD2      HIS   8  -1.527  -1.381  -4.498
   51    HE1  HIS   8           HE1      HIS   8   1.829  -1.854  -6.788
   52    HE2  HIS   8           HE2      HIS   8  -0.546  -1.168  -6.885
   53    H    LEU   9           H        LEU   9  -0.714  -3.592   0.455
   54    HA   LEU   9           HA       LEU   9   0.032  -6.363   0.024
   55    HB2  LEU   9           HB2      LEU   9   1.125  -4.464   1.843
   56    HB3  LEU   9           HB3      LEU   9   1.106  -6.033   2.293
   57    HG   LEU   9           HG       LEU   9   2.503  -5.032  -0.013
   58   HD11  LEU   9          HD11      LEU   9   3.586  -4.373   2.001
   59   HD12  LEU   9          HD12      LEU   9   3.598  -5.927   2.503
   60   HD13  LEU   9          HD13      LEU   9   4.491  -5.480   1.211
   61   HD21  LEU   9          HD21      LEU   9   1.790  -7.224  -0.366
   62   HD22  LEU   9          HD22      LEU   9   3.415  -7.207  -0.211
   63   HD23  LEU   9          HD23      LEU   9   2.481  -7.693   1.037
   64    H    MET  10           H        MET  10  -0.897  -4.507   2.830
   65    HA   MET  10           HA       MET  10  -2.831  -6.547   3.477
   66    HB2  MET  10           HB2      MET  10  -2.782  -5.697   5.677
   67    HB3  MET  10           HB3      MET  10  -1.244  -5.946   5.186
   68    HG2  MET  10           HG2      MET  10  -1.155  -3.582   4.643
   69    HG3  MET  10           HG3      MET  10  -2.580  -3.426   5.424
   70    HE1  MET  10           HE1      MET  10   1.085  -3.347   5.738
   71    HE2  MET  10           HE2      MET  10   0.277  -1.961   6.040
   72    HE3  MET  10           HE3      MET  10   1.176  -2.654   7.214