*HEADER    CHEMOKINE                               01-DEC-00   1HFF
*TITLE     NMR SOLUTION STRUCTURES OF THE VMIP-II 1-10 PEPTIDE FROM
*TITLE    2 KAPOSI'S SARCOMA-ASSOCIATED HERPESVIRUS.
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: VIRAL MACROPHAGE INFLAMMATORY PROTEIN-II
*COMPND   3 SYNONYM: VMIP-II, VMIP-1B;
*COMPND   4 CHAIN: A;
*COMPND   5 FRAGMENT: RESIDUES 1-10
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: KAPOSI'S SARCOMA-ASSOCIATED
*SOURCE   4 HERPESVIRUS;
*SOURCE   5 ORGANISM_COMMON: HUMAN HERPESVIRUS 8
*KEYWDS    CHEMOKINE, CXCR4, ANATAGONIST, VMIP-II
*EXPDTA    NMR, 55 STRUCTURES
*AUTHOR    M.P.CRUMP,E.ELISSEEVA,J.H.GONG,I.CLARK-LEWIS,B.D.SYKES




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           H1       LEU   1  -2.476   1.493   6.103
    2    H2   LEU   1           H2       LEU   1  -4.122   1.780   6.390
    3    H3   LEU   1           H3       LEU   1  -3.286   0.633   7.323
    4    HA   LEU   1           HA       LEU   1  -3.179  -0.906   5.617
    5   1HB   LEU   1          1HB       LEU   1  -5.787   0.603   5.251
    6   2HB   LEU   1          2HB       LEU   1  -5.493  -1.069   4.770
    7    HG   LEU   1           HG       LEU   1  -4.724  -1.256   7.330
    8   1HD1  LEU   1          1HD1      LEU   1  -6.447   1.183   7.127
    9   2HD1  LEU   1          2HD1      LEU   1  -6.659   0.125   8.522
   10   3HD1  LEU   1          3HD1      LEU   1  -5.087   0.859   8.202
   11   1HD2  LEU   1          1HD2      LEU   1  -7.302  -1.608   5.908
   12   2HD2  LEU   1          2HD2      LEU   1  -6.379  -2.764   6.869
   13   3HD2  LEU   1          3HD2      LEU   1  -7.417  -1.582   7.668
   14    H    GLY   2           H        GLY   2  -1.941  -0.912   3.845
   15   1HA   GLY   2          1HA       GLY   2  -1.179   0.915   2.091
   16   2HA   GLY   2          2HA       GLY   2  -2.812   0.619   1.502
   17    H    ALA   3           H        ALA   3   0.366  -0.245   1.172
   18    HA   ALA   3           HA       ALA   3  -0.301  -2.935   0.135
   19   1HB   ALA   3          1HB       ALA   3   0.838  -2.555  -1.872
   20   2HB   ALA   3          2HB       ALA   3   1.724  -1.176  -1.220
   21   3HB   ALA   3          3HB       ALA   3   0.011  -1.020  -1.608
   22    H    SER   4           H        SER   4   2.208  -3.680  -0.704
   23    HA   SER   4           HA       SER   4   3.446  -4.482   1.700
   24   1HB   SER   4          1HB       SER   4   5.398  -5.013   0.022
   25   2HB   SER   4          2HB       SER   4   3.902  -5.938  -0.053
   26    HG   SER   4           HG       SER   4   5.012  -4.324  -1.897
   27    H    TRP   5           H        TRP   5   4.956  -3.601   2.906
   28    HA   TRP   5           HA       TRP   5   5.999  -0.983   2.088
   29   1HB   TRP   5          1HB       TRP   5   4.813  -1.684   4.399
   30   2HB   TRP   5          2HB       TRP   5   6.495  -2.003   4.822
   31    HD1  TRP   5           HD1      TRP   5   4.503   0.822   3.083
   32    HE1  TRP   5           HE1      TRP   5   5.513   3.084   3.827
   33    HE3  TRP   5           HE3      TRP   5   8.274  -0.856   6.047
   34    HZ2  TRP   5           HZ2      TRP   5   7.662   4.040   5.480
   35    HZ3  TRP   5           HZ3      TRP   5   9.784   0.731   7.209
   36    HH2  TRP   5           HH2      TRP   5   9.485   3.176   6.925
   37    H    HIS   6           H        HIS   6   8.004  -0.711   1.509
   38    HA   HIS   6           HA       HIS   6   9.990  -2.817   2.123
   39   1HB   HIS   6          1HB       HIS   6   9.188  -1.605  -0.376
   40   2HB   HIS   6          2HB       HIS   6  10.898  -1.305  -0.084
   41    HD1  HIS   6           HD1      HIS   6  12.110  -3.055  -1.406
   42    HD2  HIS   6           HD2      HIS   6   8.870  -4.659   0.670
   43    HE1  HIS   6           HE1      HIS   6  12.197  -5.560  -1.767
   44    H    ARG   7           H        ARG   7   9.183   0.488   2.475
   45    HA   ARG   7           HA       ARG   7  10.192   2.072   3.835
   46   1HB   ARG   7          1HB       ARG   7  12.838   0.636   3.554
   47   2HB   ARG   7          2HB       ARG   7  12.400   1.882   4.716
   48   1HG   ARG   7          1HG       ARG   7  11.372   0.415   6.096
   49   2HG   ARG   7          2HG       ARG   7  10.626  -0.469   4.766
   50   1HD   ARG   7          1HD       ARG   7  12.121  -2.062   5.524
   51   2HD   ARG   7          2HD       ARG   7  13.116  -1.246   4.323
   52    HE   ARG   7           HE       ARG   7  13.339  -0.098   6.965
   53   1HH1  ARG   7          1HH1      ARG   7  14.508  -2.596   4.810
   54   2HH1  ARG   7          2HH1      ARG   7  16.029  -2.741   5.619
   55   1HH2  ARG   7          1HH2      ARG   7  15.335  -0.318   7.991
   56   2HH2  ARG   7          2HH2      ARG   7  16.495  -1.462   7.405
   57    HA   PRO   8           HA       PRO   8  11.845   4.506   0.549
   58   1HB   PRO   8          1HB       PRO   8  12.659   6.696   1.948
   59   2HB   PRO   8          2HB       PRO   8  10.965   6.288   1.643
   60   1HG   PRO   8          1HG       PRO   8  12.519   6.081   4.153
   61   2HG   PRO   8          2HG       PRO   8  10.778   6.294   3.921
   62   1HD   PRO   8          1HD       PRO   8  12.116   3.865   4.563
   63   2HD   PRO   8          2HD       PRO   8  10.410   4.051   4.097
   64    H    ASP   9           H        ASP   9  13.729   2.558   1.323
   65    HA   ASP   9           HA       ASP   9  15.963   2.035   1.276
   66   1HB   ASP   9          1HB       ASP   9  15.538   4.289  -0.558
   67   2HB   ASP   9          2HB       ASP   9  17.208   4.114  -0.023
   68    H    LYS  10           H        LYS  10  15.963   2.399   3.641
   69    HA   LYS  10           HA       LYS  10  16.971   3.193   5.548
   70   1HB   LYS  10          1HB       LYS  10  18.892   3.429   3.454
   71   2HB   LYS  10          2HB       LYS  10  19.027   4.877   4.448
   72   1HG   LYS  10          1HG       LYS  10  18.853   2.160   5.735
   73   2HG   LYS  10          2HG       LYS  10  20.395   2.765   5.130
   74   1HD   LYS  10          1HD       LYS  10  20.422   4.571   6.633
   75   2HD   LYS  10          2HD       LYS  10  18.683   4.475   6.923
   76   1HE   LYS  10          1HE       LYS  10  20.379   2.115   7.645
   77   2HE   LYS  10          2HE       LYS  10  20.405   3.525   8.705
   78   1HZ   LYS  10          1HZ       LYS  10  17.978   3.417   8.808
   79   2HZ   LYS  10          2HZ       LYS  10  17.993   2.020   7.846
   80   3HZ   LYS  10          3HZ       LYS  10  18.695   1.992   9.393

  No H/Q in entry =          80
  Start of MODEL    2
    1    H1   LEU   1           H1       LEU   1  -5.603  -1.259  -1.693
    2    H2   LEU   1           H2       LEU   1  -6.238  -1.051  -0.134
    3    H3   LEU   1           H3       LEU   1  -4.647  -1.613  -0.333
    4    HA   LEU   1           HA       LEU   1  -6.031  -3.459   0.254
    5   1HB   LEU   1          1HB       LEU   1  -8.039  -2.122  -0.929
    6   2HB   LEU   1          2HB       LEU   1  -7.616  -3.202  -2.259
    7    HG   LEU   1           HG       LEU   1  -7.593  -4.977  -0.222
    8   1HD1  LEU   1          1HD1      LEU   1  -9.529  -2.778   0.535
    9   2HD1  LEU   1          2HD1      LEU   1  -9.688  -4.429   1.133
   10   3HD1  LEU   1          3HD1      LEU   1  -8.252  -3.484   1.527
   11   1HD2  LEU   1          1HD2      LEU   1  -8.957  -4.819  -2.446
   12   2HD2  LEU   1          2HD2      LEU   1  -9.600  -5.799  -1.129
   13   3HD2  LEU   1          3HD2      LEU   1 -10.241  -4.182  -1.419
   14    H    GLY   2           H        GLY   2  -3.875  -4.144  -0.288
   15   1HA   GLY   2          1HA       GLY   2  -3.698  -5.336  -2.996
   16   2HA   GLY   2          2HA       GLY   2  -3.029  -6.082  -1.546
   17    H    ALA   3           H        ALA   3  -1.384  -4.691  -0.370
   18    HA   ALA   3           HA       ALA   3   0.656  -3.905  -2.263
   19   1HB   ALA   3          1HB       ALA   3  -0.007  -1.789  -0.249
   20   2HB   ALA   3          2HB       ALA   3   0.832  -1.642  -1.795
   21   3HB   ALA   3          3HB       ALA   3  -0.919  -1.849  -1.757
   22    H    SER   4           H        SER   4   2.634  -3.048  -0.966
   23    HA   SER   4           HA       SER   4   2.772  -4.094   1.755
   24   1HB   SER   4          1HB       SER   4   4.148  -5.353  -0.581
   25   2HB   SER   4          2HB       SER   4   4.985  -5.298   0.968
   26    HG   SER   4           HG       SER   4   2.377  -6.328   0.490
   27    H    TRP   5           H        TRP   5   4.664  -3.491   2.879
   28    HA   TRP   5           HA       TRP   5   5.828  -0.998   1.859
   29   1HB   TRP   5          1HB       TRP   5   4.683  -1.456   4.236
   30   2HB   TRP   5          2HB       TRP   5   6.328  -1.949   4.636
   31    HD1  TRP   5           HD1      TRP   5   4.494   1.046   3.040
   32    HE1  TRP   5           HE1      TRP   5   5.810   3.193   3.641
   33    HE3  TRP   5           HE3      TRP   5   8.438  -1.018   5.511
   34    HZ2  TRP   5           HZ2      TRP   5   8.236   3.918   5.008
   35    HZ3  TRP   5           HZ3      TRP   5  10.225   0.400   6.457
   36    HH2  TRP   5           HH2      TRP   5  10.133   2.865   6.209
   37    H    HIS   6           H        HIS   6   8.063  -0.598   2.036
   38    HA   HIS   6           HA       HIS   6   9.787  -2.964   2.384
   39   1HB   HIS   6          1HB       HIS   6   9.405  -1.332  -0.038
   40   2HB   HIS   6          2HB       HIS   6  11.091  -1.518   0.435
   41    HD1  HIS   6           HD1      HIS   6  11.995  -3.374  -0.980
   42    HD2  HIS   6           HD2      HIS   6   8.214  -4.285   0.520
   43    HE1  HIS   6           HE1      HIS   6  11.503  -5.757  -1.678
   44    H    ARG   7           H        ARG   7  10.142   0.459   1.542
   45    HA   ARG   7           HA       ARG   7  10.944   1.625   3.854
   46   1HB   ARG   7          1HB       ARG   7  13.070  -0.186   2.888
   47   2HB   ARG   7          2HB       ARG   7  13.610   1.459   3.225
   48   1HG   ARG   7          1HG       ARG   7  13.222   1.275   5.473
   49   2HG   ARG   7          2HG       ARG   7  11.812   0.240   5.250
   50   1HD   ARG   7          1HD       ARG   7  13.281  -1.327   6.080
   51   2HD   ARG   7          2HD       ARG   7  13.660  -1.466   4.366
   52    HE   ARG   7           HE       ARG   7  15.346   0.502   5.332
   53   1HH1  ARG   7          1HH1      ARG   7  14.715  -2.863   6.060
   54   2HH1  ARG   7          2HH1      ARG   7  16.334  -3.170   6.583
   55   1HH2  ARG   7          1HH2      ARG   7  17.447   0.057   6.021
   56   2HH2  ARG   7          2HH2      ARG   7  17.869  -1.533   6.561
   57    HA   PRO   8           HA       PRO   8  11.487   4.781   0.774
   58   1HB   PRO   8          1HB       PRO   8  12.191   6.852   2.401
   59   2HB   PRO   8          2HB       PRO   8  10.555   6.186   2.301
   60   1HG   PRO   8          1HG       PRO   8  12.537   5.943   4.469
   61   2HG   PRO   8          2HG       PRO   8  10.778   5.764   4.528
   62   1HD   PRO   8          1HD       PRO   8  12.738   3.669   4.455
   63   2HD   PRO   8          2HD       PRO   8  10.973   3.501   4.429
   64    H    ASP   9           H        ASP   9  13.668   3.159   0.683
   65    HA   ASP   9           HA       ASP   9  15.880   3.079   0.052
   66   1HB   ASP   9          1HB       ASP   9  15.045   5.018  -1.397
   67   2HB   ASP   9          2HB       ASP   9  15.772   6.086  -0.197
   68    H    LYS  10           H        LYS  10  15.290   3.210   2.809
   69    HA   LYS  10           HA       LYS  10  17.758   4.497   3.798
   70   1HB   LYS  10          1HB       LYS  10  14.969   4.768   4.848
   71   2HB   LYS  10          2HB       LYS  10  16.312   4.763   5.992
   72   1HG   LYS  10          1HG       LYS  10  16.454   6.510   3.552
   73   2HG   LYS  10          2HG       LYS  10  15.513   7.039   4.947
   74   1HD   LYS  10          1HD       LYS  10  17.479   6.786   6.395
   75   2HD   LYS  10          2HD       LYS  10  18.427   6.203   5.028
   76   1HE   LYS  10          1HE       LYS  10  17.537   8.507   3.963
   77   2HE   LYS  10          2HE       LYS  10  17.521   8.967   5.666
   78   1HZ   LYS  10          1HZ       LYS  10  19.863   7.650   4.434
   79   2HZ   LYS  10          2HZ       LYS  10  19.662   9.332   4.380
   80   3HZ   LYS  10          3HZ       LYS  10  19.789   8.541   5.878

  No H/Q in entry =          80
  Start of MODEL    3
    1    H1   LEU   1           H1       LEU   1  -4.457   1.787  -3.013
    2    H2   LEU   1           H2       LEU   1  -4.208   3.418  -2.611
    3    H3   LEU   1           H3       LEU   1  -2.889   2.431  -3.025
    4    HA   LEU   1           HA       LEU   1  -2.845   2.660  -0.684
    5   1HB   LEU   1          1HB       LEU   1  -5.717   2.661  -1.068
    6   2HB   LEU   1          2HB       LEU   1  -5.279   1.471   0.155
    7    HG   LEU   1           HG       LEU   1  -3.846   3.282   1.228
    8   1HD1  LEU   1          1HD1      LEU   1  -3.999   4.668  -0.977
    9   2HD1  LEU   1          2HD1      LEU   1  -5.555   5.201  -0.343
   10   3HD1  LEU   1          3HD1      LEU   1  -4.077   5.526   0.563
   11   1HD2  LEU   1          1HD2      LEU   1  -6.205   2.566   1.925
   12   2HD2  LEU   1          2HD2      LEU   1  -5.698   4.173   2.447
   13   3HD2  LEU   1          3HD2      LEU   1  -6.783   3.995   1.069
   14    H    GLY   2           H        GLY   2  -2.791   0.820   0.903
   15   1HA   GLY   2          1HA       GLY   2  -3.153  -1.849  -0.210
   16   2HA   GLY   2          2HA       GLY   2  -2.651  -1.459   1.433
   17    H    ALA   3           H        ALA   3  -1.625  -2.950  -1.227
   18    HA   ALA   3           HA       ALA   3   0.423  -3.605  -2.038
   19   1HB   ALA   3          1HB       ALA   3   2.058  -1.908  -2.498
   20   2HB   ALA   3          2HB       ALA   3   1.369  -0.834  -1.279
   21   3HB   ALA   3          3HB       ALA   3   0.469  -1.187  -2.755
   22    H    SER   4           H        SER   4   2.966  -3.309  -1.338
   23    HA   SER   4           HA       SER   4   3.011  -4.096   1.513
   24   1HB   SER   4          1HB       SER   4   5.092  -4.838  -0.540
   25   2HB   SER   4          2HB       SER   4   4.808  -5.565   1.039
   26    HG   SER   4           HG       SER   4   3.948  -6.658  -0.939
   27    H    TRP   5           H        TRP   5   4.762  -3.456   2.794
   28    HA   TRP   5           HA       TRP   5   5.960  -0.918   1.922
   29   1HB   TRP   5          1HB       TRP   5   4.592  -1.424   4.183
   30   2HB   TRP   5          2HB       TRP   5   6.215  -1.832   4.736
   31    HD1  TRP   5           HD1      TRP   5   4.295   1.063   3.088
   32    HE1  TRP   5           HE1      TRP   5   5.485   3.273   3.711
   33    HE3  TRP   5           HE3      TRP   5   8.325  -0.799   5.574
   34    HZ2  TRP   5           HZ2      TRP   5   7.860   4.122   5.099
   35    HZ3  TRP   5           HZ3      TRP   5  10.022   0.707   6.544
   36    HH2  TRP   5           HH2      TRP   5   9.803   3.166   6.309
   37    H    HIS   6           H        HIS   6   8.049  -0.767   1.509
   38    HA   HIS   6           HA       HIS   6   9.817  -3.002   2.294
   39   1HB   HIS   6          1HB       HIS   6   9.697  -1.210  -0.087
   40   2HB   HIS   6          2HB       HIS   6  11.291  -1.714   0.473
   41    HD1  HIS   6           HD1      HIS   6  12.058  -3.893  -0.453
   42    HD2  HIS   6           HD2      HIS   6   7.897  -3.658  -0.353
   43    HE1  HIS   6           HE1      HIS   6  11.193  -6.035  -1.492
   44    H    ARG   7           H        ARG   7  10.081   0.440   1.531
   45    HA   ARG   7           HA       ARG   7  10.693   1.691   3.805
   46   1HB   ARG   7          1HB       ARG   7  12.955  -0.120   3.170
   47   2HB   ARG   7          2HB       ARG   7  13.405   1.548   3.533
   48   1HG   ARG   7          1HG       ARG   7  12.528   1.463   5.691
   49   2HG   ARG   7          2HG       ARG   7  11.444   0.128   5.306
   50   1HD   ARG   7          1HD       ARG   7  12.996  -1.187   6.296
   51   2HD   ARG   7          2HD       ARG   7  13.921  -0.978   4.814
   52    HE   ARG   7           HE       ARG   7  15.433   0.250   6.050
   53   1HH1  ARG   7          1HH1      ARG   7  12.313   0.376   7.636
   54   2HH1  ARG   7          2HH1      ARG   7  12.910   1.281   8.984
   55   1HH2  ARG   7          1HH2      ARG   7  16.166   1.430   7.824
   56   2HH2  ARG   7          2HH2      ARG   7  15.073   1.874   9.091
   57    HA   PRO   8           HA       PRO   8  11.580   4.692   0.662
   58   1HB   PRO   8          1HB       PRO   8  12.146   6.834   2.253
   59   2HB   PRO   8          2HB       PRO   8  10.517   6.188   2.005
   60   1HG   PRO   8          1HG       PRO   8  12.254   6.011   4.385
   61   2HG   PRO   8          2HG       PRO   8  10.494   5.892   4.266
   62   1HD   PRO   8          1HD       PRO   8  12.353   3.735   4.527
   63   2HD   PRO   8          2HD       PRO   8  10.602   3.614   4.264
   64    H    ASP   9           H        ASP   9  13.703   3.068   0.775
   65    HA   ASP   9           HA       ASP   9  15.953   4.892   0.429
   66   1HB   ASP   9          1HB       ASP   9  15.813   3.788   2.863
   67   2HB   ASP   9          2HB       ASP   9  16.584   2.449   2.012
   68    H    LYS  10           H        LYS  10  14.595   3.678  -1.571
   69    HA   LYS  10           HA       LYS  10  15.442   1.111  -2.335
   70   1HB   LYS  10          1HB       LYS  10  14.818   1.819  -4.629
   71   2HB   LYS  10          2HB       LYS  10  13.575   2.208  -3.445
   72   1HG   LYS  10          1HG       LYS  10  15.029   4.485  -3.334
   73   2HG   LYS  10          2HG       LYS  10  15.340   4.017  -5.007
   74   1HD   LYS  10          1HD       LYS  10  12.532   3.977  -3.924
   75   2HD   LYS  10          2HD       LYS  10  13.245   5.490  -4.484
   76   1HE   LYS  10          1HE       LYS  10  13.672   3.251  -6.341
   77   2HE   LYS  10          2HE       LYS  10  11.971   3.645  -6.097
   78   1HZ   LYS  10          1HZ       LYS  10  12.639   6.023  -6.474
   79   2HZ   LYS  10          2HZ       LYS  10  14.139   5.441  -7.012
   80   3HZ   LYS  10          3HZ       LYS  10  12.717   5.010  -7.836

  No H/Q in entry =          80
  Start of MODEL    4
    1    H1   LEU   1           H1       LEU   1  -0.541  -0.050  -8.205
    2    H2   LEU   1           H2       LEU   1   0.323  -1.447  -8.640
    3    H3   LEU   1           H3       LEU   1  -1.365  -1.410  -8.798
    4    HA   LEU   1           HA       LEU   1  -1.712  -1.443  -6.489
    5   1HB   LEU   1          1HB       LEU   1  -0.592  -3.526  -7.798
    6   2HB   LEU   1          2HB       LEU   1   0.638  -3.267  -6.560
    7    HG   LEU   1           HG       LEU   1  -1.263  -3.247  -4.859
    8   1HD1  LEU   1          1HD1      LEU   1  -2.911  -2.999  -6.942
    9   2HD1  LEU   1          2HD1      LEU   1  -2.873  -4.760  -6.872
   10   3HD1  LEU   1          3HD1      LEU   1  -3.413  -3.834  -5.472
   11   1HD2  LEU   1          1HD2      LEU   1   0.290  -5.212  -5.435
   12   2HD2  LEU   1          2HD2      LEU   1  -1.236  -5.623  -4.652
   13   3HD2  LEU   1          3HD2      LEU   1  -1.050  -5.847  -6.390
   14    H    GLY   2           H        GLY   2  -1.245  -0.042  -4.924
   15   1HA   GLY   2          1HA       GLY   2   0.226   1.663  -4.010
   16   2HA   GLY   2          2HA       GLY   2   1.590   0.614  -4.384
   17    H    ALA   3           H        ALA   3   1.450  -1.602  -3.269
   18    HA   ALA   3           HA       ALA   3   0.731  -1.136  -0.442
   19   1HB   ALA   3          1HB       ALA   3  -0.869  -2.700  -1.809
   20   2HB   ALA   3          2HB       ALA   3   0.439  -3.871  -1.637
   21   3HB   ALA   3          3HB       ALA   3  -0.330  -3.190  -0.203
   22    H    SER   4           H        SER   4   1.635  -3.353   0.722
   23    HA   SER   4           HA       SER   4   3.523  -4.406   1.498
   24   1HB   SER   4          1HB       SER   4   3.501  -5.029  -1.120
   25   2HB   SER   4          2HB       SER   4   4.994  -4.095  -1.067
   26    HG   SER   4           HG       SER   4   4.413  -6.568  -0.045
   27    H    TRP   5           H        TRP   5   4.842  -3.477   2.845
   28    HA   TRP   5           HA       TRP   5   6.024  -0.890   2.160
   29   1HB   TRP   5          1HB       TRP   5   4.840  -1.779   4.450
   30   2HB   TRP   5          2HB       TRP   5   6.544  -2.031   4.829
   31    HD1  TRP   5           HD1      TRP   5   4.395   0.782   3.250
   32    HE1  TRP   5           HE1      TRP   5   5.292   3.045   4.113
   33    HE3  TRP   5           HE3      TRP   5   8.266  -0.859   6.113
   34    HZ2  TRP   5           HZ2      TRP   5   7.395   4.022   5.807
   35    HZ3  TRP   5           HZ3      TRP   5   9.698   0.743   7.350
   36    HH2  TRP   5           HH2      TRP   5   9.269   3.180   7.199
   37    H    HIS   6           H        HIS   6   8.034  -0.659   1.571
   38    HA   HIS   6           HA       HIS   6   9.967  -2.838   2.104
   39   1HB   HIS   6          1HB       HIS   6   9.180  -1.533  -0.361
   40   2HB   HIS   6          2HB       HIS   6  10.906  -1.333  -0.080
   41    HD1  HIS   6           HD1      HIS   6  12.386  -3.429  -0.209
   42    HD2  HIS   6           HD2      HIS   6   8.326  -4.277  -0.619
   43    HE1  HIS   6           HE1      HIS   6  12.232  -5.845  -0.949
   44    H    ARG   7           H        ARG   7   9.249   0.467   2.549
   45    HA   ARG   7           HA       ARG   7  10.311   2.014   3.887
   46   1HB   ARG   7          1HB       ARG   7  12.888   0.454   3.604
   47   2HB   ARG   7          2HB       ARG   7  12.549   1.766   4.725
   48   1HG   ARG   7          1HG       ARG   7  11.181   0.460   6.065
   49   2HG   ARG   7          2HG       ARG   7  10.812  -0.677   4.771
   50   1HD   ARG   7          1HD       ARG   7  12.796  -1.833   5.036
   51   2HD   ARG   7          2HD       ARG   7  13.650  -0.426   5.661
   52    HE   ARG   7           HE       ARG   7  11.576  -1.387   7.430
   53   1HH1  ARG   7          1HH1      ARG   7  14.918  -1.749   6.454
   54   2HH1  ARG   7          2HH1      ARG   7  15.403  -2.431   7.967
   55   1HH2  ARG   7          1HH2      ARG   7  12.252  -2.277   9.388
   56   2HH2  ARG   7          2HH2      ARG   7  13.909  -2.727   9.616
   57    HA   PRO   8           HA       PRO   8  11.916   4.254   0.401
   58   1HB   PRO   8          1HB       PRO   8  12.195   6.691   1.587
   59   2HB   PRO   8          2HB       PRO   8  10.640   5.982   1.129
   60   1HG   PRO   8          1HG       PRO   8  11.816   6.326   3.818
   61   2HG   PRO   8          2HG       PRO   8  10.118   6.203   3.340
   62   1HD   PRO   8          1HD       PRO   8  11.733   4.132   4.462
   63   2HD   PRO   8          2HD       PRO   8  10.088   3.975   3.804
   64    H    ASP   9           H        ASP   9  13.933   2.728   1.632
   65    HA   ASP   9           HA       ASP   9  16.209   4.609   1.513
   66   1HB   ASP   9          1HB       ASP   9  17.402   3.152   3.142
   67   2HB   ASP   9          2HB       ASP   9  15.981   3.936   3.832
   68    H    LYS  10           H        LYS  10  17.408   4.198  -0.199
   69    HA   LYS  10           HA       LYS  10  18.540   1.685  -0.791
   70   1HB   LYS  10          1HB       LYS  10  16.178   1.199  -1.505
   71   2HB   LYS  10          2HB       LYS  10  16.343   2.468  -2.718
   72   1HG   LYS  10          1HG       LYS  10  17.730   1.216  -4.036
   73   2HG   LYS  10          2HG       LYS  10  18.527   0.460  -2.656
   74   1HD   LYS  10          1HD       LYS  10  16.852  -1.164  -2.411
   75   2HD   LYS  10          2HD       LYS  10  15.666  -0.211  -3.304
   76   1HE   LYS  10          1HE       LYS  10  16.417  -0.939  -5.334
   77   2HE   LYS  10          2HE       LYS  10  18.104  -0.951  -4.820
   78   1HZ   LYS  10          1HZ       LYS  10  17.614  -2.961  -3.520
   79   2HZ   LYS  10          2HZ       LYS  10  16.033  -2.969  -4.142
   80   3HZ   LYS  10          3HZ       LYS  10  17.359  -3.188  -5.182

  No H/Q in entry =          80
  Start of MODEL    5
    1    H1   LEU   1           H1       LEU   1   2.306   3.088   1.176
    2    H2   LEU   1           H2       LEU   1   2.213   4.490   0.227
    3    H3   LEU   1           H3       LEU   1   2.261   4.614   1.921
    4    HA   LEU   1           HA       LEU   1   0.104   3.882   2.192
    5   1HB   LEU   1          1HB       LEU   1   0.552   5.698  -0.120
    6   2HB   LEU   1          2HB       LEU   1  -1.070   5.027   0.031
    7    HG   LEU   1           HG       LEU   1  -0.872   7.185   1.225
    8   1HD1  LEU   1          1HD1      LEU   1  -2.158   5.010   2.093
    9   2HD1  LEU   1          2HD1      LEU   1  -1.030   5.186   3.436
   10   3HD1  LEU   1          3HD1      LEU   1  -2.130   6.504   3.031
   11   1HD2  LEU   1          1HD2      LEU   1   1.647   6.575   1.796
   12   2HD2  LEU   1          2HD2      LEU   1   0.712   7.612   2.873
   13   3HD2  LEU   1          3HD2      LEU   1   0.924   5.904   3.257
   14    H    GLY   2           H        GLY   2   0.467   3.679  -1.346
   15   1HA   GLY   2          1HA       GLY   2  -0.477   2.153  -2.831
   16   2HA   GLY   2          2HA       GLY   2  -1.267   1.364  -1.467
   17    H    ALA   3           H        ALA   3  -0.606  -0.631  -2.591
   18    HA   ALA   3           HA       ALA   3   0.727  -2.499  -2.764
   19   1HB   ALA   3          1HB       ALA   3   2.107  -0.604  -4.050
   20   2HB   ALA   3          2HB       ALA   3   2.768  -2.216  -3.782
   21   3HB   ALA   3          3HB       ALA   3   3.233  -0.886  -2.721
   22    H    SER   4           H        SER   4   3.242  -3.102  -1.759
   23    HA   SER   4           HA       SER   4   2.717  -3.014   1.127
   24   1HB   SER   4          1HB       SER   4   4.914  -4.680   0.013
   25   2HB   SER   4          2HB       SER   4   3.780  -5.036   1.311
   26    HG   SER   4           HG       SER   4   3.656  -5.755  -1.241
   27    H    TRP   5           H        TRP   5   4.489  -2.686   2.574
   28    HA   TRP   5           HA       TRP   5   6.298  -0.622   1.553
   29   1HB   TRP   5          1HB       TRP   5   4.710  -0.495   3.676
   30   2HB   TRP   5          2HB       TRP   5   6.097  -1.263   4.453
   31    HD1  TRP   5           HD1      TRP   5   5.304   1.785   2.241
   32    HE1  TRP   5           HE1      TRP   5   6.982   3.664   2.827
   33    HE3  TRP   5           HE3      TRP   5   8.219  -0.680   5.607
   34    HZ2  TRP   5           HZ2      TRP   5   9.275   4.050   4.517
   35    HZ3  TRP   5           HZ3      TRP   5  10.131   0.447   6.691
   36    HH2  TRP   5           HH2      TRP   5  10.666   2.809   6.154
   37    H    HIS   6           H        HIS   6   8.459  -0.667   1.805
   38    HA   HIS   6           HA       HIS   6   9.711  -3.065   2.961
   39   1HB   HIS   6          1HB       HIS   6   9.813  -2.130   0.159
   40   2HB   HIS   6          2HB       HIS   6  11.377  -2.511   0.872
   41    HD1  HIS   6           HD1      HIS   6  10.595  -4.382  -1.282
   42    HD2  HIS   6           HD2      HIS   6   9.291  -4.970   2.635
   43    HE1  HIS   6           HE1      HIS   6   9.980  -6.830  -1.090
   44    H    ARG   7           H        ARG   7  10.196   0.185   1.638
   45    HA   ARG   7           HA       ARG   7  11.511   1.199   3.903
   46   1HB   ARG   7          1HB       ARG   7  13.212  -0.331   2.116
   47   2HB   ARG   7          2HB       ARG   7  13.734   1.351   2.181
   48   1HG   ARG   7          1HG       ARG   7  14.040   1.288   4.521
   49   2HG   ARG   7          2HG       ARG   7  13.086  -0.185   4.691
   50   1HD   ARG   7          1HD       ARG   7  14.848  -1.364   3.308
   51   2HD   ARG   7          2HD       ARG   7  15.829   0.092   3.443
   52    HE   ARG   7           HE       ARG   7  15.168  -0.530   6.035
   53   1HH1  ARG   7          1HH1      ARG   7  16.709  -2.234   3.394
   54   2HH1  ARG   7          2HH1      ARG   7  17.676  -3.214   4.440
   55   1HH2  ARG   7          1HH2      ARG   7  16.446  -1.829   7.364
   56   2HH2  ARG   7          2HH2      ARG   7  17.530  -2.989   6.669
   57    HA   PRO   8           HA       PRO   8  10.754   4.848   1.542
   58   1HB   PRO   8          1HB       PRO   8  12.393   6.643   2.783
   59   2HB   PRO   8          2HB       PRO   8  10.902   6.004   3.493
   60   1HG   PRO   8          1HG       PRO   8  13.716   5.382   4.165
   61   2HG   PRO   8          2HG       PRO   8  12.267   5.279   5.176
   62   1HD   PRO   8          1HD       PRO   8  13.592   3.117   3.888
   63   2HD   PRO   8          2HD       PRO   8  12.014   3.060   4.705
   64    H    ASP   9           H        ASP   9  12.282   3.342  -0.021
   65    HA   ASP   9           HA       ASP   9  13.736   3.386  -1.804
   66   1HB   ASP   9          1HB       ASP   9  12.579   5.789  -1.879
   67   2HB   ASP   9          2HB       ASP   9  14.222   6.312  -1.508
   68    H    LYS  10           H        LYS  10  15.978   3.575  -2.346
   69    HA   LYS  10           HA       LYS  10  17.689   3.389  -0.028
   70   1HB   LYS  10          1HB       LYS  10  17.840   2.035  -2.242
   71   2HB   LYS  10          2HB       LYS  10  18.682   3.456  -2.866
   72   1HG   LYS  10          1HG       LYS  10  20.176   3.292  -0.789
   73   2HG   LYS  10          2HG       LYS  10  19.484   1.687  -0.551
   74   1HD   LYS  10          1HD       LYS  10  20.537   0.805  -2.395
   75   2HD   LYS  10          2HD       LYS  10  20.491   2.331  -3.280
   76   1HE   LYS  10          1HE       LYS  10  22.334   3.216  -2.041
   77   2HE   LYS  10          2HE       LYS  10  22.250   1.912  -0.856
   78   1HZ   LYS  10          1HZ       LYS  10  22.741   1.364  -3.717
   79   2HZ   LYS  10          2HZ       LYS  10  24.015   1.755  -2.663
   80   3HZ   LYS  10          3HZ       LYS  10  23.072   0.375  -2.375

  No H/Q in entry =          80
  Start of MODEL    6
    1    H1   LEU   1           H1       LEU   1  -0.636   0.872  -0.630
    2    H2   LEU   1           H2       LEU   1  -1.973   0.459  -1.589
    3    H3   LEU   1           H3       LEU   1  -1.168  -0.740  -0.693
    4    HA   LEU   1           HA       LEU   1  -0.531  -0.930  -2.987
    5   1HB   LEU   1          1HB       LEU   1  -0.062   2.017  -2.620
    6   2HB   LEU   1          2HB       LEU   1   0.874   1.127  -3.821
    7    HG   LEU   1           HG       LEU   1  -2.124   0.863  -3.712
    8   1HD1  LEU   1          1HD1      LEU   1  -1.345   3.311  -3.881
    9   2HD1  LEU   1          2HD1      LEU   1  -0.673   2.864  -5.450
   10   3HD1  LEU   1          3HD1      LEU   1  -2.408   2.725  -5.161
   11   1HD2  LEU   1          1HD2      LEU   1   0.111   0.235  -5.596
   12   2HD2  LEU   1          2HD2      LEU   1  -1.326  -0.711  -5.206
   13   3HD2  LEU   1          3HD2      LEU   1  -1.449   0.672  -6.294
   14    H    GLY   2           H        GLY   2   1.719  -1.291  -3.650
   15   1HA   GLY   2          1HA       GLY   2   3.730  -0.897  -1.540
   16   2HA   GLY   2          2HA       GLY   2   4.059  -1.354  -3.209
   17    H    ALA   3           H        ALA   3   5.437  -2.942  -1.945
   18    HA   ALA   3           HA       ALA   3   3.937  -5.450  -1.709
   19   1HB   ALA   3          1HB       ALA   3   6.041  -5.241  -3.129
   20   2HB   ALA   3          2HB       ALA   3   6.023  -6.573  -1.975
   21   3HB   ALA   3          3HB       ALA   3   6.938  -5.108  -1.617
   22    H    SER   4           H        SER   4   3.060  -4.419   0.354
   23    HA   SER   4           HA       SER   4   2.911  -4.458   2.645
   24   1HB   SER   4          1HB       SER   4   4.870  -6.644   2.076
   25   2HB   SER   4          2HB       SER   4   4.631  -6.130   3.743
   26    HG   SER   4           HG       SER   4   2.652  -6.910   3.708
   27    H    TRP   5           H        TRP   5   4.587  -2.535   1.364
   28    HA   TRP   5           HA       TRP   5   6.038  -0.861   1.933
   29   1HB   TRP   5          1HB       TRP   5   4.639  -1.385   4.212
   30   2HB   TRP   5          2HB       TRP   5   6.288  -1.666   4.769
   31    HD1  TRP   5           HD1      TRP   5   4.235   1.008   2.927
   32    HE1  TRP   5           HE1      TRP   5   5.255   3.325   3.477
   33    HE3  TRP   5           HE3      TRP   5   8.259  -0.455   5.671
   34    HZ2  TRP   5           HZ2      TRP   5   7.509   4.395   4.911
   35    HZ3  TRP   5           HZ3      TRP   5   9.821   1.206   6.622
   36    HH2  TRP   5           HH2      TRP   5   9.456   3.631   6.246
   37    H    HIS   6           H        HIS   6   8.048  -0.895   1.336
   38    HA   HIS   6           HA       HIS   6   9.841  -3.039   2.260
   39   1HB   HIS   6          1HB       HIS   6   9.739  -1.287  -0.144
   40   2HB   HIS   6          2HB       HIS   6  11.340  -1.712   0.459
   41    HD1  HIS   6           HD1      HIS   6  12.016  -3.482  -1.223
   42    HD2  HIS   6           HD2      HIS   6   8.251  -4.206   0.414
   43    HE1  HIS   6           HE1      HIS   6  11.321  -5.787  -2.011
   44    H    ARG   7           H        ARG   7  10.017   0.422   1.550
   45    HA   ARG   7           HA       ARG   7  10.537   1.740   3.752
   46   1HB   ARG   7          1HB       ARG   7  12.873  -0.067   3.373
   47   2HB   ARG   7          2HB       ARG   7  13.228   1.608   3.800
   48   1HG   ARG   7          1HG       ARG   7  12.273   1.433   5.877
   49   2HG   ARG   7          2HG       ARG   7  11.057   0.276   5.338
   50   1HD   ARG   7          1HD       ARG   7  12.309  -1.432   6.089
   51   2HD   ARG   7          2HD       ARG   7  13.657  -0.926   5.078
   52    HE   ARG   7           HE       ARG   7  13.480   0.694   7.423
   53   1HH1  ARG   7          1HH1      ARG   7  14.461  -2.474   6.301
   54   2HH1  ARG   7          2HH1      ARG   7  15.637  -2.678   7.553
   55   1HH2  ARG   7          1HH2      ARG   7  15.023   0.389   9.038
   56   2HH2  ARG   7          2HH2      ARG   7  15.955  -1.072   9.090
   57    HA   PRO   8           HA       PRO   8  11.728   4.551   0.520
   58   1HB   PRO   8          1HB       PRO   8  11.957   6.822   2.013
   59   2HB   PRO   8          2HB       PRO   8  10.412   6.073   1.581
   60   1HG   PRO   8          1HG       PRO   8  11.774   6.164   4.194
   61   2HG   PRO   8          2HG       PRO   8  10.062   5.912   3.826
   62   1HD   PRO   8          1HD       PRO   8  12.006   3.914   4.505
   63   2HD   PRO   8          2HD       PRO   8  10.311   3.659   4.044
   64    H    ASP   9           H        ASP   9  13.874   3.052   1.068
   65    HA   ASP   9           HA       ASP   9  16.075   4.929   0.833
   66   1HB   ASP   9          1HB       ASP   9  15.574   4.147   3.375
   67   2HB   ASP   9          2HB       ASP   9  16.620   2.828   2.854
   68    H    LYS  10           H        LYS  10  18.219   3.491   0.778
   69    HA   LYS  10           HA       LYS  10  17.673   1.411  -1.229
   70   1HB   LYS  10          1HB       LYS  10  20.135   3.016  -0.542
   71   2HB   LYS  10          2HB       LYS  10  20.194   1.609  -1.603
   72   1HG   LYS  10          1HG       LYS  10  18.789   2.619  -3.216
   73   2HG   LYS  10          2HG       LYS  10  18.234   3.852  -2.083
   74   1HD   LYS  10          1HD       LYS  10  20.713   4.594  -1.988
   75   2HD   LYS  10          2HD       LYS  10  20.910   3.636  -3.455
   76   1HE   LYS  10          1HE       LYS  10  18.872   5.854  -3.100
   77   2HE   LYS  10          2HE       LYS  10  20.407   6.023  -3.953
   78   1HZ   LYS  10          1HZ       LYS  10  18.312   4.043  -4.658
   79   2HZ   LYS  10          2HZ       LYS  10  18.504   5.546  -5.427
   80   3HZ   LYS  10          3HZ       LYS  10  19.731   4.380  -5.528

  No H/Q in entry =          80
  Start of MODEL    7
    1    H1   LEU   1           H1       LEU   1  -1.109  -5.559  -2.866
    2    H2   LEU   1           H2       LEU   1  -1.842  -7.082  -2.721
    3    H3   LEU   1           H3       LEU   1  -0.300  -6.946  -3.422
    4    HA   LEU   1           HA       LEU   1  -1.664  -7.194  -5.258
    5   1HB   LEU   1          1HB       LEU   1  -3.707  -6.681  -3.636
    6   2HB   LEU   1          2HB       LEU   1  -3.583  -5.078  -4.361
    7    HG   LEU   1           HG       LEU   1  -3.408  -6.575  -6.596
    8   1HD1  LEU   1          1HD1      LEU   1  -4.788  -8.236  -4.510
    9   2HD1  LEU   1          2HD1      LEU   1  -5.344  -8.315  -6.182
   10   3HD1  LEU   1          3HD1      LEU   1  -3.680  -8.744  -5.784
   11   1HD2  LEU   1          1HD2      LEU   1  -5.876  -5.656  -5.100
   12   2HD2  LEU   1          2HD2      LEU   1  -5.013  -4.809  -6.385
   13   3HD2  LEU   1          3HD2      LEU   1  -5.940  -6.264  -6.754
   14    H    GLY   2           H        GLY   2  -2.031  -3.889  -3.940
   15   1HA   GLY   2          1HA       GLY   2  -1.775  -2.171  -5.857
   16   2HA   GLY   2          2HA       GLY   2  -0.188  -2.913  -6.028
   17    H    ALA   3           H        ALA   3   0.075  -3.341  -3.122
   18    HA   ALA   3           HA       ALA   3   1.311  -0.854  -2.462
   19   1HB   ALA   3          1HB       ALA   3  -0.059  -0.351  -0.449
   20   2HB   ALA   3          2HB       ALA   3  -1.221  -1.573  -0.968
   21   3HB   ALA   3          3HB       ALA   3  -0.953  -0.135  -1.954
   22    H    SER   4           H        SER   4   2.936  -1.243  -1.123
   23    HA   SER   4           HA       SER   4   2.840  -3.020   1.083
   24   1HB   SER   4          1HB       SER   4   4.020  -4.063  -1.476
   25   2HB   SER   4          2HB       SER   4   4.695  -4.558   0.074
   26    HG   SER   4           HG       SER   4   2.654  -5.606  -1.092
   27    H    TRP   5           H        TRP   5   4.411  -2.563   2.463
   28    HA   TRP   5           HA       TRP   5   6.318  -0.521   1.632
   29   1HB   TRP   5          1HB       TRP   5   4.806  -0.600   3.831
   30   2HB   TRP   5          2HB       TRP   5   6.215  -1.465   4.452
   31    HD1  TRP   5           HD1      TRP   5   5.405   1.787   2.556
   32    HE1  TRP   5           HE1      TRP   5   7.150   3.574   3.245
   33    HE3  TRP   5           HE3      TRP   5   8.362  -1.023   5.604
   34    HZ2  TRP   5           HZ2      TRP   5   9.508   3.758   4.884
   35    HZ3  TRP   5           HZ3      TRP   5  10.338  -0.037   6.714
   36    HH2  TRP   5           HH2      TRP   5  10.917   2.349   6.361
   37    H    HIS   6           H        HIS   6   8.494  -0.576   2.273
   38    HA   HIS   6           HA       HIS   6   9.739  -3.073   3.048
   39   1HB   HIS   6          1HB       HIS   6   9.518  -2.314   0.262
   40   2HB   HIS   6          2HB       HIS   6  11.208  -2.305   0.753
   41    HD1  HIS   6           HD1      HIS   6  12.336  -4.539   0.819
   42    HD2  HIS   6           HD2      HIS   6   8.187  -4.898   0.995
   43    HE1  HIS   6           HE1      HIS   6  11.829  -7.019   0.744
   44    H    ARG   7           H        ARG   7  10.219   0.146   1.663
   45    HA   ARG   7           HA       ARG   7  11.713   1.119   3.866
   46   1HB   ARG   7          1HB       ARG   7  13.206  -0.251   1.752
   47   2HB   ARG   7          2HB       ARG   7  13.745   1.409   1.993
   48   1HG   ARG   7          1HG       ARG   7  14.508   1.002   4.111
   49   2HG   ARG   7          2HG       ARG   7  13.254  -0.189   4.448
   50   1HD   ARG   7          1HD       ARG   7  15.046  -1.074   2.320
   51   2HD   ARG   7          2HD       ARG   7  15.914  -0.738   3.813
   52    HE   ARG   7           HE       ARG   7  14.037  -2.887   3.351
   53   1HH1  ARG   7          1HH1      ARG   7  15.538  -0.842   5.765
   54   2HH1  ARG   7          2HH1      ARG   7  15.301  -1.984   7.042
   55   1HH2  ARG   7          1HH2      ARG   7  13.747  -4.345   5.047
   56   2HH2  ARG   7          2HH2      ARG   7  14.295  -3.949   6.641
   57    HA   PRO   8           HA       PRO   8  10.677   4.849   1.734
   58   1HB   PRO   8          1HB       PRO   8  12.473   6.607   2.796
   59   2HB   PRO   8          2HB       PRO   8  11.091   5.945   3.682
   60   1HG   PRO   8          1HG       PRO   8  13.969   5.296   3.940
   61   2HG   PRO   8          2HG       PRO   8  12.675   5.184   5.144
   62   1HD   PRO   8          1HD       PRO   8  13.780   3.035   3.655
   63   2HD   PRO   8          2HD       PRO   8  12.315   2.982   4.661
   64    H    ASP   9           H        ASP   9  12.020   3.357  -0.036
   65    HA   ASP   9           HA       ASP   9  13.209   5.220  -1.800
   66   1HB   ASP   9          1HB       ASP   9  15.037   3.713  -0.023
   67   2HB   ASP   9          2HB       ASP   9  15.455   3.681  -1.737
   68    H    LYS  10           H        LYS  10  11.884   4.356  -3.340
   69    HA   LYS  10           HA       LYS  10  11.191   2.916  -4.995
   70   1HB   LYS  10          1HB       LYS  10  13.970   2.021  -4.414
   71   2HB   LYS  10          2HB       LYS  10  12.946   0.912  -5.326
   72   1HG   LYS  10          1HG       LYS  10  12.367   3.213  -6.619
   73   2HG   LYS  10          2HG       LYS  10  14.015   3.574  -6.104
   74   1HD   LYS  10          1HD       LYS  10  13.328   0.952  -7.430
   75   2HD   LYS  10          2HD       LYS  10  13.715   2.387  -8.381
   76   1HE   LYS  10          1HE       LYS  10  15.918   2.453  -7.642
   77   2HE   LYS  10          2HE       LYS  10  15.548   1.601  -6.143
   78   1HZ   LYS  10          1HZ       LYS  10  15.219   0.239  -8.731
   79   2HZ   LYS  10          2HZ       LYS  10  16.760   0.363  -8.034
   80   3HZ   LYS  10          3HZ       LYS  10  15.512  -0.429  -7.197

  No H/Q in entry =          80
  Start of MODEL    8
    1    H1   LEU   1           H1       LEU   1   2.981   5.173  -1.251
    2    H2   LEU   1           H2       LEU   1   3.574   6.727  -1.591
    3    H3   LEU   1           H3       LEU   1   1.927   6.506  -1.250
    4    HA   LEU   1           HA       LEU   1   2.100   6.779  -3.581
    5   1HB   LEU   1          1HB       LEU   1   4.634   5.885  -3.310
    6   2HB   LEU   1          2HB       LEU   1   3.874   4.414  -3.918
    7    HG   LEU   1           HG       LEU   1   2.777   6.129  -5.641
    8   1HD1  LEU   1          1HD1      LEU   1   5.244   7.488  -4.573
    9   2HD1  LEU   1          2HD1      LEU   1   4.747   7.731  -6.248
   10   3HD1  LEU   1          3HD1      LEU   1   3.664   8.186  -4.932
   11   1HD2  LEU   1          1HD2      LEU   1   5.582   4.983  -5.751
   12   2HD2  LEU   1          2HD2      LEU   1   4.100   4.232  -6.341
   13   3HD2  LEU   1          3HD2      LEU   1   4.750   5.657  -7.154
   14    H    GLY   2           H        GLY   2   2.692   3.472  -2.365
   15   1HA   GLY   2          1HA       GLY   2   0.478   2.396  -3.884
   16   2HA   GLY   2          2HA       GLY   2   0.160   2.499  -2.154
   17    H    ALA   3           H        ALA   3   0.119   0.045  -3.282
   18    HA   ALA   3           HA       ALA   3   0.974  -2.082  -3.085
   19   1HB   ALA   3          1HB       ALA   3   2.805  -0.790  -4.548
   20   2HB   ALA   3          2HB       ALA   3   3.052  -2.447  -3.996
   21   3HB   ALA   3          3HB       ALA   3   3.789  -1.106  -3.120
   22    H    SER   4           H        SER   4   3.235  -3.080  -1.840
   23    HA   SER   4           HA       SER   4   2.613  -2.531   0.952
   24   1HB   SER   4          1HB       SER   4   4.472  -4.459   1.106
   25   2HB   SER   4          2HB       SER   4   2.776  -4.816   0.791
   26    HG   SER   4           HG       SER   4   3.275  -5.372  -1.181
   27    H    TRP   5           H        TRP   5   4.442  -2.424   2.470
   28    HA   TRP   5           HA       TRP   5   6.400  -0.513   1.443
   29   1HB   TRP   5          1HB       TRP   5   4.824  -0.230   3.537
   30   2HB   TRP   5          2HB       TRP   5   6.109  -1.135   4.342
   31    HD1  TRP   5           HD1      TRP   5   5.663   1.977   2.134
   32    HE1  TRP   5           HE1      TRP   5   7.526   3.671   2.736
   33    HE3  TRP   5           HE3      TRP   5   8.280  -0.784   5.515
   34    HZ2  TRP   5           HZ2      TRP   5   9.835   3.810   4.441
   35    HZ3  TRP   5           HZ3      TRP   5  10.292   0.133   6.613
   36    HH2  TRP   5           HH2      TRP   5  11.078   2.427   6.085
   37    H    HIS   6           H        HIS   6   8.562  -0.573   2.177
   38    HA   HIS   6           HA       HIS   6   9.662  -3.006   3.295
   39   1HB   HIS   6          1HB       HIS   6   9.569  -2.594   0.433
   40   2HB   HIS   6          2HB       HIS   6  11.242  -2.589   0.981
   41    HD1  HIS   6           HD1      HIS   6  12.268  -4.840   1.367
   42    HD2  HIS   6           HD2      HIS   6   8.104  -5.010   1.429
   43    HE1  HIS   6           HE1      HIS   6  11.656  -7.287   1.590
   44    H    ARG   7           H        ARG   7  10.328   0.016   1.574
   45    HA   ARG   7           HA       ARG   7  11.940   1.022   3.736
   46   1HB   ARG   7          1HB       ARG   7  13.232  -0.318   1.493
   47   2HB   ARG   7          2HB       ARG   7  13.737   1.367   1.616
   48   1HG   ARG   7          1HG       ARG   7  14.402   1.072   3.918
   49   2HG   ARG   7          2HG       ARG   7  13.719  -0.555   3.956
   50   1HD   ARG   7          1HD       ARG   7  15.498  -1.469   2.863
   51   2HD   ARG   7          2HD       ARG   7  15.688  -0.078   1.800
   52    HE   ARG   7           HE       ARG   7  17.229   0.794   3.300
   53   1HH1  ARG   7          1HH1      ARG   7  15.402  -1.758   4.849
   54   2HH1  ARG   7          2HH1      ARG   7  16.395  -1.764   6.265
   55   1HH2  ARG   7          1HH2      ARG   7  18.499   0.752   5.162
   56   2HH2  ARG   7          2HH2      ARG   7  18.135  -0.356   6.443
   57    HA   PRO   8           HA       PRO   8  10.553   4.737   1.783
   58   1HB   PRO   8          1HB       PRO   8  12.215   6.554   2.958
   59   2HB   PRO   8          2HB       PRO   8  10.884   5.741   3.795
   60   1HG   PRO   8          1HG       PRO   8  13.794   5.319   4.063
   61   2HG   PRO   8          2HG       PRO   8  12.496   4.975   5.215
   62   1HD   PRO   8          1HD       PRO   8  13.834   3.101   3.518
   63   2HD   PRO   8          2HD       PRO   8  12.432   2.789   4.566
   64    H    ASP   9           H        ASP   9  11.998   3.458  -0.067
   65    HA   ASP   9           HA       ASP   9  14.124   5.244  -1.024
   66   1HB   ASP   9          1HB       ASP   9  14.424   2.732  -1.024
   67   2HB   ASP   9          2HB       ASP   9  13.183   2.657  -2.276
   68    H    LYS  10           H        LYS  10  12.823   7.018  -1.624
   69    HA   LYS  10           HA       LYS  10  10.679   6.691  -3.538
   70   1HB   LYS  10          1HB       LYS  10  11.929   8.961  -2.077
   71   2HB   LYS  10          2HB       LYS  10  11.141   9.335  -3.610
   72   1HG   LYS  10          1HG       LYS  10   9.049   8.796  -2.826
   73   2HG   LYS  10          2HG       LYS  10   9.665   7.550  -1.738
   74   1HD   LYS  10          1HD       LYS  10   8.857   9.398  -0.393
   75   2HD   LYS  10          2HD       LYS  10  10.617   9.372  -0.295
   76   1HE   LYS  10          1HE       LYS  10  10.760  11.121  -2.014
   77   2HE   LYS  10          2HE       LYS  10   9.003  11.130  -2.167
   78   1HZ   LYS  10          1HZ       LYS  10  10.347  11.617   0.421
   79   2HZ   LYS  10          2HZ       LYS  10  10.041  12.876  -0.678
   80   3HZ   LYS  10          3HZ       LYS  10   8.751  11.984  -0.023

  No H/Q in entry =          80
  Start of MODEL    9
    1    H1   LEU   1           H1       LEU   1  -4.193  -1.140  -5.831
    2    H2   LEU   1           H2       LEU   1  -5.688  -1.917  -6.022
    3    H3   LEU   1           H3       LEU   1  -5.548  -0.257  -6.351
    4    HA   LEU   1           HA       LEU   1  -6.553  -0.287  -4.279
    5   1HB   LEU   1          1HB       LEU   1  -5.539  -2.865  -4.160
    6   2HB   LEU   1          2HB       LEU   1  -4.642  -2.040  -2.889
    7    HG   LEU   1           HG       LEU   1  -6.720  -3.003  -1.995
    8   1HD1  LEU   1          1HD1      LEU   1  -5.773  -0.582  -1.417
    9   2HD1  LEU   1          2HD1      LEU   1  -7.327  -0.077  -2.081
   10   3HD1  LEU   1          3HD1      LEU   1  -7.272  -1.172  -0.699
   11   1HD2  LEU   1          1HD2      LEU   1  -7.822  -1.807  -4.435
   12   2HD2  LEU   1          2HD2      LEU   1  -8.471  -3.098  -3.427
   13   3HD2  LEU   1          3HD2      LEU   1  -8.771  -1.413  -3.002
   14    H    GLY   2           H        GLY   2  -3.118  -1.127  -3.810
   15   1HA   GLY   2          1HA       GLY   2  -2.398   0.775  -1.986
   16   2HA   GLY   2          2HA       GLY   2  -2.314   1.628  -3.525
   17    H    ALA   3           H        ALA   3  -0.675  -0.364  -1.361
   18    HA   ALA   3           HA       ALA   3   1.022  -1.843  -3.076
   19   1HB   ALA   3          1HB       ALA   3   1.904   0.944  -2.371
   20   2HB   ALA   3          2HB       ALA   3   3.087  -0.341  -2.613
   21   3HB   ALA   3          3HB       ALA   3   1.998   0.113  -3.923
   22    H    SER   4           H        SER   4   3.271  -2.156  -1.822
   23    HA   SER   4           HA       SER   4   2.574  -2.595   1.020
   24   1HB   SER   4          1HB       SER   4   4.467  -4.246  -0.670
   25   2HB   SER   4          2HB       SER   4   3.974  -4.573   0.989
   26    HG   SER   4           HG       SER   4   2.007  -5.146   0.305
   27    H    TRP   5           H        TRP   5   4.444  -2.705   2.456
   28    HA   TRP   5           HA       TRP   5   6.228  -0.479   1.866
   29   1HB   TRP   5          1HB       TRP   5   4.849  -0.954   4.071
   30   2HB   TRP   5          2HB       TRP   5   6.265  -1.930   4.469
   31    HD1  TRP   5           HD1      TRP   5   5.419   1.639   3.291
   32    HE1  TRP   5           HE1      TRP   5   7.209   3.245   4.247
   33    HE3  TRP   5           HE3      TRP   5   8.479  -1.734   5.566
   34    HZ2  TRP   5           HZ2      TRP   5   9.636   3.092   5.780
   35    HZ3  TRP   5           HZ3      TRP   5  10.511  -0.995   6.763
   36    HH2  TRP   5           HH2      TRP   5  11.097   1.413   6.875
   37    H    HIS   6           H        HIS   6   8.464  -0.630   2.681
   38    HA   HIS   6           HA       HIS   6   9.805  -3.116   2.934
   39   1HB   HIS   6          1HB       HIS   6   9.227  -2.360   0.270
   40   2HB   HIS   6          2HB       HIS   6  10.931  -1.993   0.512
   41    HD1  HIS   6           HD1      HIS   6  11.763  -4.015  -0.885
   42    HD2  HIS   6           HD2      HIS   6   9.318  -5.089   2.315
   43    HE1  HIS   6           HE1      HIS   6  11.966  -6.528  -0.643
   44    H    ARG   7           H        ARG   7  10.058   0.230   1.829
   45    HA   ARG   7           HA       ARG   7  11.587   1.233   3.895
   46   1HB   ARG   7          1HB       ARG   7  13.202  -0.294   1.968
   47   2HB   ARG   7          2HB       ARG   7  13.776   1.355   2.213
   48   1HG   ARG   7          1HG       ARG   7  13.014   0.006   4.713
   49   2HG   ARG   7          2HG       ARG   7  14.341  -0.786   3.866
   50   1HD   ARG   7          1HD       ARG   7  15.104   1.808   3.631
   51   2HD   ARG   7          2HD       ARG   7  14.245   1.875   5.166
   52    HE   ARG   7           HE       ARG   7  16.796   0.663   4.703
   53   1HH1  ARG   7          1HH1      ARG   7  13.851   0.354   6.571
   54   2HH1  ARG   7          2HH1      ARG   7  14.628  -0.484   7.869
   55   1HH2  ARG   7          1HH2      ARG   7  17.769  -0.432   6.418
   56   2HH2  ARG   7          2HH2      ARG   7  16.828  -0.926   7.784
   57    HA   PRO   8           HA       PRO   8  10.757   4.765   1.343
   58   1HB   PRO   8          1HB       PRO   8  12.086   6.672   2.768
   59   2HB   PRO   8          2HB       PRO   8  10.575   5.914   3.294
   60   1HG   PRO   8          1HG       PRO   8  13.307   5.549   4.342
   61   2HG   PRO   8          2HG       PRO   8  11.751   5.255   5.131
   62   1HD   PRO   8          1HD       PRO   8  13.495   3.309   3.942
   63   2HD   PRO   8          2HD       PRO   8  11.891   3.032   4.658
   64    H    ASP   9           H        ASP   9  12.823   3.261   0.213
   65    HA   ASP   9           HA       ASP   9  14.553   3.407  -1.295
   66   1HB   ASP   9          1HB       ASP   9  13.025   5.333  -2.079
   67   2HB   ASP   9          2HB       ASP   9  14.188   6.396  -1.286
   68    H    LYS  10           H        LYS  10  15.997   2.770   0.421
   69    HA   LYS  10           HA       LYS  10  17.951   2.958   1.618
   70   1HB   LYS  10          1HB       LYS  10  18.594   4.136  -0.590
   71   2HB   LYS  10          2HB       LYS  10  18.406   5.636   0.320
   72   1HG   LYS  10          1HG       LYS  10  20.200   5.176   1.719
   73   2HG   LYS  10          2HG       LYS  10  20.046   3.432   1.514
   74   1HD   LYS  10          1HD       LYS  10  21.163   3.435  -0.528
   75   2HD   LYS  10          2HD       LYS  10  20.764   5.120  -0.860
   76   1HE   LYS  10          1HE       LYS  10  22.233   5.496   1.348
   77   2HE   LYS  10          2HE       LYS  10  22.963   3.985   0.806
   78   1HZ   LYS  10          1HZ       LYS  10  22.535   6.168  -1.116
   79   2HZ   LYS  10          2HZ       LYS  10  23.866   6.230  -0.067
   80   3HZ   LYS  10          3HZ       LYS  10  23.692   4.924  -1.141

  No H/Q in entry =          80
  Start of MODEL   10
    1    H1   LEU   1           H1       LEU   1  -0.686  -3.396  -7.832
    2    H2   LEU   1           H2       LEU   1  -1.051  -4.783  -8.744
    3    H3   LEU   1           H3       LEU   1  -1.801  -3.302  -9.107
    4    HA   LEU   1           HA       LEU   1  -3.186  -3.374  -7.283
    5   1HB   LEU   1          1HB       LEU   1  -2.684  -6.138  -8.384
    6   2HB   LEU   1          2HB       LEU   1  -3.921  -5.862  -7.157
    7    HG   LEU   1           HG       LEU   1  -4.531  -3.855  -8.861
    8   1HD1  LEU   1          1HD1      LEU   1  -2.724  -4.551 -10.431
    9   2HD1  LEU   1          2HD1      LEU   1  -3.516  -6.116 -10.612
   10   3HD1  LEU   1          3HD1      LEU   1  -4.324  -4.649 -11.165
   11   1HD2  LEU   1          1HD2      LEU   1  -5.396  -6.717  -8.662
   12   2HD2  LEU   1          2HD2      LEU   1  -6.294  -5.248  -8.277
   13   3HD2  LEU   1          3HD2      LEU   1  -6.067  -5.727  -9.958
   14    H    GLY   2           H        GLY   2  -0.692  -5.893  -6.932
   15   1HA   GLY   2          1HA       GLY   2  -0.076  -7.014  -4.938
   16   2HA   GLY   2          2HA       GLY   2  -1.035  -5.857  -4.019
   17    H    ALA   3           H        ALA   3   0.107  -4.459  -2.864
   18    HA   ALA   3           HA       ALA   3   2.908  -3.932  -3.627
   19   1HB   ALA   3          1HB       ALA   3   2.358  -1.530  -2.676
   20   2HB   ALA   3          2HB       ALA   3   2.046  -1.917  -4.367
   21   3HB   ALA   3          3HB       ALA   3   0.724  -1.934  -3.201
   22    H    SER   4           H        SER   4   3.931  -2.572  -1.736
   23    HA   SER   4           HA       SER   4   2.964  -2.827   0.891
   24   1HB   SER   4          1HB       SER   4   3.470  -5.311   0.125
   25   2HB   SER   4          2HB       SER   4   5.131  -4.849   0.491
   26    HG   SER   4           HG       SER   4   2.864  -4.786   2.196
   27    H    TRP   5           H        TRP   5   4.495  -2.263   2.493
   28    HA   TRP   5           HA       TRP   5   6.540  -0.497   1.404
   29   1HB   TRP   5          1HB       TRP   5   4.774   0.030   3.286
   30   2HB   TRP   5          2HB       TRP   5   5.981  -0.726   4.329
   31    HD1  TRP   5           HD1      TRP   5   5.749   2.020   1.652
   32    HE1  TRP   5           HE1      TRP   5   7.531   3.823   2.197
   33    HE3  TRP   5           HE3      TRP   5   7.982  -0.166   5.665
   34    HZ2  TRP   5           HZ2      TRP   5   9.641   4.251   4.111
   35    HZ3  TRP   5           HZ3      TRP   5   9.860   0.937   6.833
   36    HH2  TRP   5           HH2      TRP   5  10.694   3.143   6.064
   37    H    HIS   6           H        HIS   6   8.588  -0.992   1.332
   38    HA   HIS   6           HA       HIS   6   9.645  -3.080   3.142
   39   1HB   HIS   6          1HB       HIS   6  10.062  -2.552   0.253
   40   2HB   HIS   6          2HB       HIS   6  11.500  -2.982   1.176
   41    HD1  HIS   6           HD1      HIS   6  11.618  -5.363   2.183
   42    HD2  HIS   6           HD2      HIS   6   8.097  -4.623   0.077
   43    HE1  HIS   6           HE1      HIS   6  10.474  -7.604   1.889
   44    H    ARG   7           H        ARG   7  10.129   0.087   1.708
   45    HA   ARG   7           HA       ARG   7  11.592   1.090   3.890
   46   1HB   ARG   7          1HB       ARG   7  13.171  -0.351   1.920
   47   2HB   ARG   7          2HB       ARG   7  13.664   1.339   2.010
   48   1HG   ARG   7          1HG       ARG   7  14.225   1.194   4.276
   49   2HG   ARG   7          2HG       ARG   7  13.216  -0.228   4.534
   50   1HD   ARG   7          1HD       ARG   7  14.873  -1.648   3.935
   51   2HD   ARG   7          2HD       ARG   7  15.310  -0.680   2.532
   52    HE   ARG   7           HE       ARG   7  16.992   0.288   3.797
   53   1HH1  ARG   7          1HH1      ARG   7  14.671  -1.236   5.930
   54   2HH1  ARG   7          2HH1      ARG   7  15.627  -0.968   7.346
   55   1HH2  ARG   7          1HH2      ARG   7  18.207   0.613   5.668
   56   2HH2  ARG   7          2HH2      ARG   7  17.613   0.070   7.201
   57    HA   PRO   8           HA       PRO   8  10.584   4.779   1.688
   58   1HB   PRO   8          1HB       PRO   8  12.306   6.570   2.811
   59   2HB   PRO   8          2HB       PRO   8  10.903   5.885   3.646
   60   1HG   PRO   8          1HG       PRO   8  13.779   5.300   4.024
   61   2HG   PRO   8          2HG       PRO   8  12.439   5.146   5.168
   62   1HD   PRO   8          1HD       PRO   8  13.662   3.037   3.700
   63   2HD   PRO   8          2HD       PRO   8  12.178   2.936   4.671
   64    H    ASP   9           H        ASP   9  12.023   3.313  -0.035
   65    HA   ASP   9           HA       ASP   9  14.153   5.073  -1.075
   66   1HB   ASP   9          1HB       ASP   9  13.560   2.166  -1.691
   67   2HB   ASP   9          2HB       ASP   9  14.857   3.116  -2.418
   68    H    LYS  10           H        LYS  10  12.068   6.353  -1.661
   69    HA   LYS  10           HA       LYS  10  11.024   5.411  -4.261
   70   1HB   LYS  10          1HB       LYS  10   9.517   6.139  -2.199
   71   2HB   LYS  10          2HB       LYS  10   9.829   7.749  -2.844
   72   1HG   LYS  10          1HG       LYS  10   7.900   7.113  -4.010
   73   2HG   LYS  10          2HG       LYS  10   9.183   6.680  -5.141
   74   1HD   LYS  10          1HD       LYS  10   9.150   4.356  -4.234
   75   2HD   LYS  10          2HD       LYS  10   7.787   4.807  -3.208
   76   1HE   LYS  10          1HE       LYS  10   6.621   3.978  -5.019
   77   2HE   LYS  10          2HE       LYS  10   6.793   5.656  -5.536
   78   1HZ   LYS  10          1HZ       LYS  10   8.828   3.620  -6.201
   79   2HZ   LYS  10          2HZ       LYS  10   7.453   3.843  -7.174
   80   3HZ   LYS  10          3HZ       LYS  10   8.546   5.121  -6.946

  No H/Q in entry =          80
  Start of MODEL   11
    1    H1   LEU   1           H1       LEU   1  -4.762  -4.894  -6.717
    2    H2   LEU   1           H2       LEU   1  -5.036  -3.623  -7.811
    3    H3   LEU   1           H3       LEU   1  -3.488  -4.308  -7.670
    4    HA   LEU   1           HA       LEU   1  -3.294  -2.346  -6.476
    5   1HB   LEU   1          1HB       LEU   1  -5.994  -2.327  -6.467
    6   2HB   LEU   1          2HB       LEU   1  -5.706  -2.812  -4.795
    7    HG   LEU   1           HG       LEU   1  -4.138  -0.524  -5.938
    8   1HD1  LEU   1          1HD1      LEU   1  -6.706  -0.309  -6.362
    9   2HD1  LEU   1          2HD1      LEU   1  -6.808  -0.080  -4.617
   10   3HD1  LEU   1          3HD1      LEU   1  -5.860   1.037  -5.599
   11   1HD2  LEU   1          1HD2      LEU   1  -4.999  -1.562  -3.261
   12   2HD2  LEU   1          2HD2      LEU   1  -3.414  -0.992  -3.783
   13   3HD2  LEU   1          3HD2      LEU   1  -4.697   0.166  -3.432
   14    H    GLY   2           H        GLY   2  -2.026  -2.349  -4.689
   15   1HA   GLY   2          1HA       GLY   2  -1.556  -4.852  -3.349
   16   2HA   GLY   2          2HA       GLY   2  -2.312  -3.659  -2.296
   17    H    ALA   3           H        ALA   3  -1.185  -1.704  -1.841
   18    HA   ALA   3           HA       ALA   3   1.580  -1.448  -2.738
   19   1HB   ALA   3          1HB       ALA   3   1.511   0.727  -1.955
   20   2HB   ALA   3          2HB       ALA   3  -0.195   0.464  -2.322
   21   3HB   ALA   3          3HB       ALA   3   0.380   0.336  -0.659
   22    H    SER   4           H        SER   4   3.073  -2.622  -1.738
   23    HA   SER   4           HA       SER   4   2.799  -3.116   1.158
   24   1HB   SER   4          1HB       SER   4   4.692  -4.808   0.654
   25   2HB   SER   4          2HB       SER   4   3.066  -5.207   0.108
   26    HG   SER   4           HG       SER   4   5.082  -3.945  -1.447
   27    H    TRP   5           H        TRP   5   4.451  -2.650   2.550
   28    HA   TRP   5           HA       TRP   5   6.299  -0.612   1.563
   29   1HB   TRP   5          1HB       TRP   5   4.740  -0.517   3.725
   30   2HB   TRP   5          2HB       TRP   5   6.148  -1.288   4.456
   31    HD1  TRP   5           HD1      TRP   5   5.327   1.765   2.252
   32    HE1  TRP   5           HE1      TRP   5   7.013   3.642   2.822
   33    HE3  TRP   5           HE3      TRP   5   8.253  -0.691   5.618
   34    HZ2  TRP   5           HZ2      TRP   5   9.316   4.030   4.496
   35    HZ3  TRP   5           HZ3      TRP   5  10.176   0.436   6.685
   36    HH2  TRP   5           HH2      TRP   5  10.715   2.794   6.132
   37    H    HIS   6           H        HIS   6   8.460  -0.634   1.923
   38    HA   HIS   6           HA       HIS   6   9.713  -3.060   2.995
   39   1HB   HIS   6          1HB       HIS   6   9.542  -2.491   0.208
   40   2HB   HIS   6          2HB       HIS   6  11.211  -2.198   0.690
   41    HD1  HIS   6           HD1      HIS   6  12.403  -4.297  -0.015
   42    HD2  HIS   6           HD2      HIS   6   8.865  -5.125   2.028
   43    HE1  HIS   6           HE1      HIS   6  12.345  -6.805   0.331
   44    H    ARG   7           H        ARG   7  10.203   0.177   1.642
   45    HA   ARG   7           HA       ARG   7  11.546   1.183   3.897
   46   1HB   ARG   7          1HB       ARG   7  13.221  -0.325   2.063
   47   2HB   ARG   7          2HB       ARG   7  13.743   1.357   2.153
   48   1HG   ARG   7          1HG       ARG   7  14.139   1.246   4.459
   49   2HG   ARG   7          2HG       ARG   7  13.095  -0.158   4.669
   50   1HD   ARG   7          1HD       ARG   7  14.764  -1.610   4.190
   51   2HD   ARG   7          2HD       ARG   7  15.333  -0.647   2.830
   52    HE   ARG   7           HE       ARG   7  16.051   0.699   5.184
   53   1HH1  ARG   7          1HH1      ARG   7  16.778  -2.300   3.531
   54   2HH1  ARG   7          2HH1      ARG   7  18.378  -2.400   4.180
   55   1HH2  ARG   7          1HH2      ARG   7  18.141   0.529   6.007
   56   2HH2  ARG   7          2HH2      ARG   7  19.144  -0.815   5.574
   57    HA   PRO   8           HA       PRO   8  10.741   4.857   1.600
   58   1HB   PRO   8          1HB       PRO   8  12.431   6.633   2.799
   59   2HB   PRO   8          2HB       PRO   8  10.966   5.986   3.554
   60   1HG   PRO   8          1HG       PRO   8  13.801   5.347   4.112
   61   2HG   PRO   8          2HG       PRO   8  12.392   5.245   5.178
   62   1HD   PRO   8          1HD       PRO   8  13.651   3.082   3.830
   63   2HD   PRO   8          2HD       PRO   8  12.098   3.034   4.697
   64    H    ASP   9           H        ASP   9  12.273   3.338  -0.017
   65    HA   ASP   9           HA       ASP   9  13.715   3.388  -1.811
   66   1HB   ASP   9          1HB       ASP   9  12.345   5.725  -1.878
   67   2HB   ASP   9          2HB       ASP   9  13.994   6.338  -1.751
   68    H    LYS  10           H        LYS  10  15.855   4.692  -2.579
   69    HA   LYS  10           HA       LYS  10  17.653   4.706  -0.227
   70   1HB   LYS  10          1HB       LYS  10  17.926   3.515  -2.946
   71   2HB   LYS  10          2HB       LYS  10  19.374   4.200  -2.207
   72   1HG   LYS  10          1HG       LYS  10  19.508   2.097  -1.292
   73   2HG   LYS  10          2HG       LYS  10  18.441   2.828  -0.092
   74   1HD   LYS  10          1HD       LYS  10  16.520   2.067  -1.682
   75   2HD   LYS  10          2HD       LYS  10  17.734   0.984  -2.363
   76   1HE   LYS  10          1HE       LYS  10  18.150   0.508   0.259
   77   2HE   LYS  10          2HE       LYS  10  16.439   0.931   0.312
   78   1HZ   LYS  10          1HZ       LYS  10  17.492  -0.995  -1.666
   79   2HZ   LYS  10          2HZ       LYS  10  17.040  -1.489  -0.104
   80   3HZ   LYS  10          3HZ       LYS  10  15.891  -0.787  -1.136

  No H/Q in entry =          80
  Start of MODEL   12
    1    H1   LEU   1           H1       LEU   1  -4.128  -7.295   8.065
    2    H2   LEU   1           H2       LEU   1  -5.623  -7.490   7.281
    3    H3   LEU   1           H3       LEU   1  -4.645  -8.842   7.601
    4    HA   LEU   1           HA       LEU   1  -3.093  -8.285   5.979
    5   1HB   LEU   1          1HB       LEU   1  -5.892  -7.583   5.058
    6   2HB   LEU   1          2HB       LEU   1  -4.531  -7.771   3.951
    7    HG   LEU   1           HG       LEU   1  -4.244 -10.056   5.320
    8   1HD1  LEU   1          1HD1      LEU   1  -7.034  -9.117   5.801
    9   2HD1  LEU   1          2HD1      LEU   1  -6.814 -10.825   5.416
   10   3HD1  LEU   1          3HD1      LEU   1  -5.996 -10.123   6.813
   11   1HD2  LEU   1          1HD2      LEU   1  -5.982  -9.362   2.964
   12   2HD2  LEU   1          2HD2      LEU   1  -4.436 -10.211   2.990
   13   3HD2  LEU   1          3HD2      LEU   1  -5.901 -11.030   3.531
   14    H    GLY   2           H        GLY   2  -2.875  -6.599   4.006
   15   1HA   GLY   2          1HA       GLY   2  -1.993  -4.158   5.205
   16   2HA   GLY   2          2HA       GLY   2  -3.455  -3.907   4.255
   17    H    ALA   3           H        ALA   3  -1.117  -2.642   3.557
   18    HA   ALA   3           HA       ALA   3  -0.633  -3.791   0.912
   19   1HB   ALA   3          1HB       ALA   3   0.356  -1.167   2.052
   20   2HB   ALA   3          2HB       ALA   3   0.362  -1.655   0.357
   21   3HB   ALA   3          3HB       ALA   3  -1.167  -1.360   1.185
   22    H    SER   4           H        SER   4   1.753  -3.249   0.132
   23    HA   SER   4           HA       SER   4   3.515  -4.707   1.987
   24   1HB   SER   4          1HB       SER   4   4.979  -4.652  -0.227
   25   2HB   SER   4          2HB       SER   4   3.688  -5.831  -0.018
   26    HG   SER   4           HG       SER   4   3.862  -3.632  -1.685
   27    H    TRP   5           H        TRP   5   5.236  -3.798   2.903
   28    HA   TRP   5           HA       TRP   5   5.956  -1.060   2.053
   29   1HB   TRP   5          1HB       TRP   5   4.894  -1.712   4.466
   30   2HB   TRP   5          2HB       TRP   5   6.616  -1.866   4.814
   31    HD1  TRP   5           HD1      TRP   5   4.428   0.668   2.859
   32    HE1  TRP   5           HE1      TRP   5   5.238   3.047   3.464
   33    HE3  TRP   5           HE3      TRP   5   8.192  -0.500   6.057
   34    HZ2  TRP   5           HZ2      TRP   5   7.244   4.282   5.112
   35    HZ3  TRP   5           HZ3      TRP   5   9.537   1.280   7.152
   36    HH2  TRP   5           HH2      TRP   5   9.069   3.668   6.676
   37    H    HIS   6           H        HIS   6   7.964  -0.687   1.507
   38    HA   HIS   6           HA       HIS   6  10.003  -2.762   2.053
   39   1HB   HIS   6          1HB       HIS   6   9.150  -1.513  -0.409
   40   2HB   HIS   6          2HB       HIS   6  10.852  -1.166  -0.124
   41    HD1  HIS   6           HD1      HIS   6  12.349  -2.913  -1.061
   42    HD2  HIS   6           HD2      HIS   6   8.695  -4.528   0.129
   43    HE1  HIS   6           HE1      HIS   6  12.449  -5.387  -1.601
   44    H    ARG   7           H        ARG   7   9.132   0.530   2.471
   45    HA   ARG   7           HA       ARG   7  10.122   2.156   3.774
   46   1HB   ARG   7          1HB       ARG   7  12.728   0.625   3.717
   47   2HB   ARG   7          2HB       ARG   7  12.245   1.903   4.827
   48   1HG   ARG   7          1HG       ARG   7  10.990   0.504   6.109
   49   2HG   ARG   7          2HG       ARG   7  10.469  -0.470   4.738
   50   1HD   ARG   7          1HD       ARG   7  12.278  -1.869   4.874
   51   2HD   ARG   7          2HD       ARG   7  13.356  -0.590   5.423
   52    HE   ARG   7           HE       ARG   7  11.367  -1.335   7.385
   53   1HH1  ARG   7          1HH1      ARG   7  14.526  -2.077   6.069
   54   2HH1  ARG   7          2HH1      ARG   7  15.078  -2.834   7.522
   55   1HH2  ARG   7          1HH2      ARG   7  12.127  -2.331   9.258
   56   2HH2  ARG   7          2HH2      ARG   7  13.732  -2.979   9.313
   57    HA   PRO   8           HA       PRO   8  12.081   4.287   0.415
   58   1HB   PRO   8          1HB       PRO   8  12.558   6.673   1.645
   59   2HB   PRO   8          2HB       PRO   8  10.956   6.132   1.125
   60   1HG   PRO   8          1HG       PRO   8  12.072   6.320   3.857
   61   2HG   PRO   8          2HG       PRO   8  10.386   6.377   3.322
   62   1HD   PRO   8          1HD       PRO   8  11.735   4.142   4.466
   63   2HD   PRO   8          2HD       PRO   8  10.113   4.153   3.740
   64    H    ASP   9           H        ASP   9  13.856   2.536   1.513
   65    HA   ASP   9           HA       ASP   9  16.045   2.093   2.081
   66   1HB   ASP   9          1HB       ASP   9  17.675   3.196   0.584
   67   2HB   ASP   9          2HB       ASP   9  16.262   2.600  -0.285
   68    H    LYS  10           H        LYS  10  16.318   2.594   4.204
   69    HA   LYS  10           HA       LYS  10  16.549   5.175   5.303
   70   1HB   LYS  10          1HB       LYS  10  16.216   2.947   6.531
   71   2HB   LYS  10          2HB       LYS  10  17.965   2.750   6.403
   72   1HG   LYS  10          1HG       LYS  10  18.203   5.035   7.469
   73   2HG   LYS  10          2HG       LYS  10  16.467   4.991   7.782
   74   1HD   LYS  10          1HD       LYS  10  17.390   4.142   9.775
   75   2HD   LYS  10          2HD       LYS  10  16.948   2.685   8.884
   76   1HE   LYS  10          1HE       LYS  10  19.452   3.072   7.923
   77   2HE   LYS  10          2HE       LYS  10  19.636   3.762   9.535
   78   1HZ   LYS  10          1HZ       LYS  10  18.462   1.636  10.301
   79   2HZ   LYS  10          2HZ       LYS  10  18.881   1.014   8.777
   80   3HZ   LYS  10          3HZ       LYS  10  20.095   1.529   9.843

  No H/Q in entry =          80
  Start of MODEL   13
    1    H1   LEU   1           H1       LEU   1  -4.683  -0.470  -5.109
    2    H2   LEU   1           H2       LEU   1  -5.268   1.052  -5.585
    3    H3   LEU   1           H3       LEU   1  -3.710   0.907  -4.923
    4    HA   LEU   1           HA       LEU   1  -4.940   1.728  -3.157
    5   1HB   LEU   1          1HB       LEU   1  -7.109   1.016  -4.558
    6   2HB   LEU   1          2HB       LEU   1  -7.095  -0.324  -3.409
    7    HG   LEU   1           HG       LEU   1  -6.783   1.517  -1.602
    8   1HD1  LEU   1          1HD1      LEU   1  -6.343   3.298  -3.338
    9   2HD1  LEU   1          2HD1      LEU   1  -8.039   3.174  -3.807
   10   3HD1  LEU   1          3HD1      LEU   1  -7.611   3.711  -2.182
   11   1HD2  LEU   1          1HD2      LEU   1  -8.920   0.126  -2.394
   12   2HD2  LEU   1          2HD2      LEU   1  -9.064   1.422  -1.206
   13   3HD2  LEU   1          3HD2      LEU   1  -9.474   1.723  -2.894
   14    H    GLY   2           H        GLY   2  -3.187   0.841  -2.051
   15   1HA   GLY   2          1HA       GLY   2  -3.260  -1.991  -1.306
   16   2HA   GLY   2          2HA       GLY   2  -3.418  -0.819   0.000
   17    H    ALA   3           H        ALA   3  -1.319  -1.987  -2.578
   18    HA   ALA   3           HA       ALA   3   0.966  -1.966  -2.836
   19   1HB   ALA   3          1HB       ALA   3   2.062   0.072  -2.628
   20   2HB   ALA   3          2HB       ALA   3   1.163   0.525  -1.179
   21   3HB   ALA   3          3HB       ALA   3   0.382   0.593  -2.759
   22    H    SER   4           H        SER   4   3.018  -2.161  -1.660
   23    HA   SER   4           HA       SER   4   2.621  -2.845   1.194
   24   1HB   SER   4          1HB       SER   4   4.673  -4.318  -0.380
   25   2HB   SER   4          2HB       SER   4   3.684  -4.865   0.970
   26    HG   SER   4           HG       SER   4   3.071  -4.674  -1.765
   27    H    TRP   5           H        TRP   5   4.478  -2.673   2.524
   28    HA   TRP   5           HA       TRP   5   6.240  -0.505   1.649
   29   1HB   TRP   5          1HB       TRP   5   4.872  -0.725   3.933
   30   2HB   TRP   5          2HB       TRP   5   6.340  -1.568   4.426
   31    HD1  TRP   5           HD1      TRP   5   5.335   1.755   2.735
   32    HE1  TRP   5           HE1      TRP   5   7.048   3.559   3.438
   33    HE3  TRP   5           HE3      TRP   5   8.517  -1.103   5.502
   34    HZ2  TRP   5           HZ2      TRP   5   9.463   3.747   4.979
   35    HZ3  TRP   5           HZ3      TRP   5  10.507  -0.102   6.576
   36    HH2  TRP   5           HH2      TRP   5  10.988   2.319   6.320
   37    H    HIS   6           H        HIS   6   8.482  -0.588   2.594
   38    HA   HIS   6           HA       HIS   6   9.767  -3.072   3.073
   39   1HB   HIS   6          1HB       HIS   6   9.282  -2.504   0.344
   40   2HB   HIS   6          2HB       HIS   6  10.987  -2.156   0.612
   41    HD1  HIS   6           HD1      HIS   6  11.852  -4.287  -0.571
   42    HD2  HIS   6           HD2      HIS   6   9.213  -5.080   2.557
   43    HE1  HIS   6           HE1      HIS   6  11.979  -6.780  -0.143
   44    H    ARG   7           H        ARG   7  10.105   0.196   1.776
   45    HA   ARG   7           HA       ARG   7  11.716   1.154   3.859
   46   1HB   ARG   7          1HB       ARG   7  13.176  -0.333   1.819
   47   2HB   ARG   7          2HB       ARG   7  13.728   1.339   1.918
   48   1HG   ARG   7          1HG       ARG   7  14.401   1.130   4.134
   49   2HG   ARG   7          2HG       ARG   7  13.300  -0.209   4.450
   50   1HD   ARG   7          1HD       ARG   7  14.726  -1.779   3.550
   51   2HD   ARG   7          2HD       ARG   7  15.430  -0.640   2.409
   52    HE   ARG   7           HE       ARG   7  17.045  -0.143   3.994
   53   1HH1  ARG   7          1HH1      ARG   7  14.320  -1.687   5.560
   54   2HH1  ARG   7          2HH1      ARG   7  15.119  -1.798   7.091
   55   1HH2  ARG   7          1HH2      ARG   7  18.048  -0.308   6.007
   56   2HH2  ARG   7          2HH2      ARG   7  17.211  -1.025   7.344
   57    HA   PRO   8           HA       PRO   8  10.691   4.831   1.642
   58   1HB   PRO   8          1HB       PRO   8  12.380   6.621   2.822
   59   2HB   PRO   8          2HB       PRO   8  10.953   5.934   3.613
   60   1HG   PRO   8          1HG       PRO   8  13.814   5.359   4.083
   61   2HG   PRO   8          2HG       PRO   8  12.435   5.176   5.175
   62   1HD   PRO   8          1HD       PRO   8  13.736   3.107   3.708
   63   2HD   PRO   8          2HD       PRO   8  12.236   2.965   4.652
   64    H    ASP   9           H        ASP   9  12.104   3.403  -0.068
   65    HA   ASP   9           HA       ASP   9  13.395   3.528  -1.965
   66   1HB   ASP   9          1HB       ASP   9  12.307   5.872  -2.012
   67   2HB   ASP   9          2HB       ASP   9  13.861   6.452  -1.412
   68    H    LYS  10           H        LYS  10  14.810   2.287  -0.386
   69    HA   LYS  10           HA       LYS  10  17.026   3.460   0.883
   70   1HB   LYS  10          1HB       LYS  10  17.992   1.179   0.828
   71   2HB   LYS  10          2HB       LYS  10  16.322   1.180   1.387
   72   1HG   LYS  10          1HG       LYS  10  15.542   0.501  -0.827
   73   2HG   LYS  10          2HG       LYS  10  17.183   0.600  -1.463
   74   1HD   LYS  10          1HD       LYS  10  17.766  -1.092   0.432
   75   2HD   LYS  10          2HD       LYS  10  16.029  -1.397   0.471
   76   1HE   LYS  10          1HE       LYS  10  16.294  -1.621  -2.135
   77   2HE   LYS  10          2HE       LYS  10  17.990  -1.910  -1.747
   78   1HZ   LYS  10          1HZ       LYS  10  17.153  -3.612  -0.119
   79   2HZ   LYS  10          2HZ       LYS  10  15.625  -3.450  -0.845
   80   3HZ   LYS  10          3HZ       LYS  10  16.949  -4.003  -1.757

  No H/Q in entry =          80
  Start of MODEL   14
    1    H1   LEU   1           H1       LEU   1  -2.653   0.118  -4.392
    2    H2   LEU   1           H2       LEU   1  -3.718   1.371  -4.808
    3    H3   LEU   1           H3       LEU   1  -3.113   1.263  -3.224
    4    HA   LEU   1           HA       LEU   1  -5.349   0.476  -3.206
    5   1HB   LEU   1          1HB       LEU   1  -4.743  -0.351  -5.800
    6   2HB   LEU   1          2HB       LEU   1  -4.906  -1.866  -4.916
    7    HG   LEU   1           HG       LEU   1  -7.076  -1.166  -5.837
    8   1HD1  LEU   1          1HD1      LEU   1  -6.834  -2.267  -3.522
    9   2HD1  LEU   1          2HD1      LEU   1  -7.165  -0.665  -2.860
   10   3HD1  LEU   1          3HD1      LEU   1  -8.368  -1.468  -3.870
   11   1HD2  LEU   1          1HD2      LEU   1  -6.255   1.379  -5.427
   12   2HD2  LEU   1          2HD2      LEU   1  -7.953   0.941  -5.612
   13   3HD2  LEU   1          3HD2      LEU   1  -7.272   1.165  -4.001
   14    H    GLY   2           H        GLY   2  -2.995  -2.058  -4.086
   15   1HA   GLY   2          1HA       GLY   2  -3.190  -4.114  -2.603
   16   2HA   GLY   2          2HA       GLY   2  -3.032  -2.973  -1.270
   17    H    ALA   3           H        ALA   3  -1.062  -1.364  -1.793
   18    HA   ALA   3           HA       ALA   3   1.227  -2.806  -2.906
   19   1HB   ALA   3          1HB       ALA   3   2.312  -0.776  -3.017
   20   2HB   ALA   3          2HB       ALA   3   1.513  -0.150  -1.573
   21   3HB   ALA   3          3HB       ALA   3   0.639  -0.222  -3.104
   22    H    SER   4           H        SER   4   3.258  -2.886  -1.677
   23    HA   SER   4           HA       SER   4   2.761  -3.286   1.215
   24   1HB   SER   4          1HB       SER   4   3.246  -5.364  -0.225
   25   2HB   SER   4          2HB       SER   4   4.885  -4.734  -0.364
   26    HG   SER   4           HG       SER   4   3.734  -6.041   1.676
   27    H    TRP   5           H        TRP   5   4.518  -2.886   2.626
   28    HA   TRP   5           HA       TRP   5   6.191  -0.674   1.685
   29   1HB   TRP   5          1HB       TRP   5   4.671  -0.792   3.877
   30   2HB   TRP   5          2HB       TRP   5   6.144  -1.495   4.546
   31    HD1  TRP   5           HD1      TRP   5   5.027   1.619   2.569
   32    HE1  TRP   5           HE1      TRP   5   6.584   3.580   3.219
   33    HE3  TRP   5           HE3      TRP   5   8.263  -0.830   5.644
   34    HZ2  TRP   5           HZ2      TRP   5   8.913   4.029   4.845
   35    HZ3  TRP   5           HZ3      TRP   5  10.129   0.368   6.732
   36    HH2  TRP   5           HH2      TRP   5  10.463   2.794   6.339
   37    H    HIS   6           H        HIS   6   8.370  -0.650   1.822
   38    HA   HIS   6           HA       HIS   6   9.743  -3.075   2.785
   39   1HB   HIS   6          1HB       HIS   6   9.692  -1.978   0.059
   40   2HB   HIS   6          2HB       HIS   6  11.321  -2.219   0.683
   41    HD1  HIS   6           HD1      HIS   6  12.180  -4.589   0.785
   42    HD2  HIS   6           HD2      HIS   6   8.068  -4.435   0.120
   43    HE1  HIS   6           HE1      HIS   6  11.445  -6.961   0.293
   44    H    ARG   7           H        ARG   7  10.127   0.263   1.657
   45    HA   ARG   7           HA       ARG   7  11.304   1.327   3.922
   46   1HB   ARG   7          1HB       ARG   7  13.182  -0.307   2.403
   47   2HB   ARG   7          2HB       ARG   7  13.722   1.370   2.499
   48   1HG   ARG   7          1HG       ARG   7  13.731   1.354   4.863
   49   2HG   ARG   7          2HG       ARG   7  12.740  -0.103   4.942
   50   1HD   ARG   7          1HD       ARG   7  14.517  -1.495   4.575
   51   2HD   ARG   7          2HD       ARG   7  15.316  -0.360   3.491
   52    HE   ARG   7           HE       ARG   7  15.440   0.756   6.041
   53   1HH1  ARG   7          1HH1      ARG   7  16.582  -2.130   4.424
   54   2HH1  ARG   7          2HH1      ARG   7  17.976  -2.282   5.434
   55   1HH2  ARG   7          1HH2      ARG   7  17.270   0.522   7.336
   56   2HH2  ARG   7          2HH2      ARG   7  18.364  -0.793   7.071
   57    HA   PRO   8           HA       PRO   8  10.918   4.833   1.256
   58   1HB   PRO   8          1HB       PRO   8  12.263   6.710   2.708
   59   2HB   PRO   8          2HB       PRO   8  10.674   6.067   3.151
   60   1HG   PRO   8          1HG       PRO   8  13.309   5.553   4.383
   61   2HG   PRO   8          2HG       PRO   8  11.692   5.422   5.089
   62   1HD   PRO   8          1HD       PRO   8  13.324   3.282   4.132
   63   2HD   PRO   8          2HD       PRO   8  11.640   3.179   4.684
   64    H    ASP   9           H        ASP   9  12.734   3.290   0.088
   65    HA   ASP   9           HA       ASP   9  15.363   4.369  -0.135
   66   1HB   ASP   9          1HB       ASP   9  15.505   2.949  -2.190
   67   2HB   ASP   9          2HB       ASP   9  14.968   2.063  -0.762
   68    H    LYS  10           H        LYS  10  15.873   6.258  -0.997
   69    HA   LYS  10           HA       LYS  10  14.063   7.643  -2.788
   70   1HB   LYS  10          1HB       LYS  10  16.617   8.310  -1.386
   71   2HB   LYS  10          2HB       LYS  10  16.171   9.253  -2.809
   72   1HG   LYS  10          1HG       LYS  10  13.932   9.669  -1.777
   73   2HG   LYS  10          2HG       LYS  10  14.486   8.838  -0.324
   74   1HD   LYS  10          1HD       LYS  10  15.867  10.560   0.303
   75   2HD   LYS  10          2HD       LYS  10  16.243  11.002  -1.363
   76   1HE   LYS  10          1HE       LYS  10  13.437  11.409  -0.426
   77   2HE   LYS  10          2HE       LYS  10  14.667  12.529   0.162
   78   1HZ   LYS  10          1HZ       LYS  10  15.335  12.878  -2.171
   79   2HZ   LYS  10          2HZ       LYS  10  14.036  11.911  -2.673
   80   3HZ   LYS  10          3HZ       LYS  10  13.740  13.373  -1.860

  No H/Q in entry =          80
  Start of MODEL   15
    1    H1   LEU   1           H1       LEU   1  -3.910  -0.510  -4.015
    2    H2   LEU   1           H2       LEU   1  -4.305   0.900  -4.875
    3    H3   LEU   1           H3       LEU   1  -2.724   0.673  -4.303
    4    HA   LEU   1           HA       LEU   1  -3.807   2.226  -2.869
    5   1HB   LEU   1          1HB       LEU   1  -6.106   1.047  -3.563
    6   2HB   LEU   1          2HB       LEU   1  -5.831   0.192  -2.046
    7    HG   LEU   1           HG       LEU   1  -5.772   3.209  -2.328
    8   1HD1  LEU   1          1HD1      LEU   1  -8.024   1.878  -2.658
    9   2HD1  LEU   1          2HD1      LEU   1  -7.928   1.678  -0.908
   10   3HD1  LEU   1          3HD1      LEU   1  -7.988   3.295  -1.609
   11   1HD2  LEU   1          1HD2      LEU   1  -5.473   1.254  -0.060
   12   2HD2  LEU   1          2HD2      LEU   1  -4.509   2.685  -0.425
   13   3HD2  LEU   1          3HD2      LEU   1  -6.129   2.862   0.250
   14    H    GLY   2           H        GLY   2  -4.191  -1.250  -2.158
   15   1HA   GLY   2          1HA       GLY   2  -3.297  -2.581  -0.503
   16   2HA   GLY   2          2HA       GLY   2  -3.237  -1.130   0.494
   17    H    ALA   3           H        ALA   3  -1.534  -2.824  -2.126
   18    HA   ALA   3           HA       ALA   3   0.704  -3.022  -2.624
   19   1HB   ALA   3          1HB       ALA   3   2.095  -0.906  -1.842
   20   2HB   ALA   3          2HB       ALA   3   0.986  -0.807  -3.210
   21   3HB   ALA   3          3HB       ALA   3   0.487  -0.214  -1.626
   22    H    SER   4           H        SER   4   3.003  -2.647  -1.458
   23    HA   SER   4           HA       SER   4   2.719  -3.494   1.361
   24   1HB   SER   4          1HB       SER   4   4.799  -4.966   0.814
   25   2HB   SER   4          2HB       SER   4   3.199  -5.551   0.364
   26    HG   SER   4           HG       SER   4   5.273  -5.105  -1.205
   27    H    TRP   5           H        TRP   5   4.566  -3.118   2.675
   28    HA   TRP   5           HA       TRP   5   6.065  -0.753   1.798
   29   1HB   TRP   5          1HB       TRP   5   4.679  -1.105   4.066
   30   2HB   TRP   5          2HB       TRP   5   6.235  -1.740   4.598
   31    HD1  TRP   5           HD1      TRP   5   4.788   1.406   2.897
   32    HE1  TRP   5           HE1      TRP   5   6.249   3.426   3.585
   33    HE3  TRP   5           HE3      TRP   5   8.372  -0.996   5.601
   34    HZ2  TRP   5           HZ2      TRP   5   8.639   3.938   5.094
   35    HZ3  TRP   5           HZ3      TRP   5  10.219   0.262   6.654
   36    HH2  TRP   5           HH2      TRP   5  10.363   2.726   6.406
   37    H    HIS   6           H        HIS   6   8.273  -0.605   1.975
   38    HA   HIS   6           HA       HIS   6   9.775  -3.056   2.615
   39   1HB   HIS   6          1HB       HIS   6   9.613  -1.643   0.025
   40   2HB   HIS   6          2HB       HIS   6  11.249  -1.991   0.572
   41    HD1  HIS   6           HD1      HIS   6  12.019  -4.155  -0.383
   42    HD2  HIS   6           HD2      HIS   6   7.963  -4.271   0.572
   43    HE1  HIS   6           HE1      HIS   6  11.218  -6.492  -0.942
   44    H    ARG   7           H        ARG   7  10.127   0.332   1.633
   45    HA   ARG   7           HA       ARG   7  11.175   1.434   3.914
   46   1HB   ARG   7          1HB       ARG   7  13.177  -0.239   2.542
   47   2HB   ARG   7          2HB       ARG   7  13.716   1.414   2.831
   48   1HG   ARG   7          1HG       ARG   7  13.720   1.163   5.104
   49   2HG   ARG   7          2HG       ARG   7  12.324   0.085   5.093
   50   1HD   ARG   7          1HD       ARG   7  14.170  -1.277   5.731
   51   2HD   ARG   7          2HD       ARG   7  13.856  -1.665   4.042
   52    HE   ARG   7           HE       ARG   7  15.788   0.427   4.265
   53   1HH1  ARG   7          1HH1      ARG   7  15.379  -3.033   4.614
   54   2HH1  ARG   7          2HH1      ARG   7  17.036  -3.378   4.260
   55   1HH2  ARG   7          1HH2      ARG   7  17.940  -0.069   3.806
   56   2HH2  ARG   7          2HH2      ARG   7  18.476  -1.716   3.806
   57    HA   PRO   8           HA       PRO   8  11.100   4.797   1.031
   58   1HB   PRO   8          1HB       PRO   8  12.154   6.769   2.595
   59   2HB   PRO   8          2HB       PRO   8  10.525   6.104   2.802
   60   1HG   PRO   8          1HG       PRO   8  12.924   5.725   4.478
   61   2HG   PRO   8          2HG       PRO   8  11.216   5.553   4.903
   62   1HD   PRO   8          1HD       PRO   8  13.069   3.452   4.305
   63   2HD   PRO   8          2HD       PRO   8  11.327   3.295   4.612
   64    H    ASP   9           H        ASP   9  13.107   3.249   0.254
   65    HA   ASP   9           HA       ASP   9  15.026   5.064  -0.835
   66   1HB   ASP   9          1HB       ASP   9  15.819   4.516   1.608
   67   2HB   ASP   9          2HB       ASP   9  16.315   2.981   0.895
   68    H    LYS  10           H        LYS  10  14.112   4.071  -2.700
   69    HA   LYS  10           HA       LYS  10  14.732   1.232  -3.129
   70   1HB   LYS  10          1HB       LYS  10  12.500   2.548  -3.774
   71   2HB   LYS  10          2HB       LYS  10  13.427   2.885  -5.236
   72   1HG   LYS  10          1HG       LYS  10  13.467   0.079  -4.238
   73   2HG   LYS  10          2HG       LYS  10  11.960   0.649  -4.957
   74   1HD   LYS  10          1HD       LYS  10  12.903   0.936  -7.049
   75   2HD   LYS  10          2HD       LYS  10  14.512   1.247  -6.394
   76   1HE   LYS  10          1HE       LYS  10  14.939  -1.042  -6.025
   77   2HE   LYS  10          2HE       LYS  10  13.230  -1.468  -6.122
   78   1HZ   LYS  10          1HZ       LYS  10  14.878  -0.459  -8.379
   79   2HZ   LYS  10          2HZ       LYS  10  14.439  -2.082  -8.133
   80   3HZ   LYS  10          3HZ       LYS  10  13.246  -0.923  -8.462

  No H/Q in entry =          80
  Start of MODEL   16
    1    H1   LEU   1           H1       LEU   1  -2.275  -1.947   1.033
    2    H2   LEU   1           H2       LEU   1  -2.470  -0.415   1.736
    3    H3   LEU   1           H3       LEU   1  -3.587  -1.650   2.070
    4    HA   LEU   1           HA       LEU   1  -4.597  -1.515   0.026
    5   1HB   LEU   1          1HB       LEU   1  -3.764   1.095   1.173
    6   2HB   LEU   1          2HB       LEU   1  -4.409   1.148  -0.467
    7    HG   LEU   1           HG       LEU   1  -5.803  -0.280   1.809
    8   1HD1  LEU   1          1HD1      LEU   1  -5.975   2.572   0.843
    9   2HD1  LEU   1          2HD1      LEU   1  -7.362   1.785   1.597
   10   3HD1  LEU   1          3HD1      LEU   1  -5.860   1.976   2.499
   11   1HD2  LEU   1          1HD2      LEU   1  -6.584   0.569  -0.993
   12   2HD2  LEU   1          2HD2      LEU   1  -6.514  -1.071  -0.348
   13   3HD2  LEU   1          3HD2      LEU   1  -7.759   0.044   0.214
   14    H    GLY   2           H        GLY   2  -3.559  -2.576  -1.616
   15   1HA   GLY   2          1HA       GLY   2  -1.973  -0.899  -3.431
   16   2HA   GLY   2          2HA       GLY   2  -2.755  -2.422  -3.843
   17    H    ALA   3           H        ALA   3   0.160  -1.003  -3.363
   18    HA   ALA   3           HA       ALA   3   1.575  -3.494  -3.340
   19   1HB   ALA   3          1HB       ALA   3   2.729  -0.734  -2.905
   20   2HB   ALA   3          2HB       ALA   3   2.357  -1.392  -4.498
   21   3HB   ALA   3          3HB       ALA   3   3.573  -2.170  -3.484
   22    H    SER   4           H        SER   4   3.729  -3.213  -1.787
   23    HA   SER   4           HA       SER   4   2.678  -2.980   0.971
   24   1HB   SER   4          1HB       SER   4   4.503  -4.785   1.434
   25   2HB   SER   4          2HB       SER   4   2.958  -5.291   0.757
   26    HG   SER   4           HG       SER   4   5.469  -5.009  -0.479
   27    H    TRP   5           H        TRP   5   4.427  -2.722   2.577
   28    HA   TRP   5           HA       TRP   5   6.228  -0.632   1.643
   29   1HB   TRP   5          1HB       TRP   5   4.681  -0.686   3.801
   30   2HB   TRP   5          2HB       TRP   5   6.101  -1.466   4.499
   31    HD1  TRP   5           HD1      TRP   5   5.144   1.735   2.583
   32    HE1  TRP   5           HE1      TRP   5   6.804   3.600   3.256
   33    HE3  TRP   5           HE3      TRP   5   8.290  -0.940   5.561
   34    HZ2  TRP   5           HZ2      TRP   5   9.168   3.899   4.858
   35    HZ3  TRP   5           HZ3      TRP   5  10.227   0.140   6.648
   36    HH2  TRP   5           HH2      TRP   5  10.676   2.557   6.304
   37    H    HIS   6           H        HIS   6   8.413  -0.618   1.963
   38    HA   HIS   6           HA       HIS   6   9.725  -3.063   2.920
   39   1HB   HIS   6          1HB       HIS   6   9.618  -2.164   0.144
   40   2HB   HIS   6          2HB       HIS   6  11.276  -2.277   0.729
   41    HD1  HIS   6           HD1      HIS   6  12.249  -4.596   1.026
   42    HD2  HIS   6           HD2      HIS   6   8.130  -4.680   0.383
   43    HE1  HIS   6           HE1      HIS   6  11.620  -7.031   0.726
   44    H    ARG   7           H        ARG   7  10.183   0.210   1.634
   45    HA   ARG   7           HA       ARG   7  11.478   1.243   3.891
   46   1HB   ARG   7          1HB       ARG   7  13.218  -0.299   2.116
   47   2HB   ARG   7          2HB       ARG   7  13.764   1.368   2.297
   48   1HG   ARG   7          1HG       ARG   7  14.176   1.138   4.550
   49   2HG   ARG   7          2HG       ARG   7  12.909  -0.069   4.767
   50   1HD   ARG   7          1HD       ARG   7  14.295  -1.805   4.263
   51   2HD   ARG   7          2HD       ARG   7  15.139  -0.901   3.011
   52    HE   ARG   7           HE       ARG   7  15.752   0.025   5.673
   53   1HH1  ARG   7          1HH1      ARG   7  16.531  -2.345   3.217
   54   2HH1  ARG   7          2HH1      ARG   7  18.131  -2.609   3.819
   55   1HH2  ARG   7          1HH2      ARG   7  17.844  -0.349   6.423
   56   2HH2  ARG   7          2HH2      ARG   7  18.869  -1.490   5.619
   57    HA   PRO   8           HA       PRO   8  10.817   4.837   1.401
   58   1HB   PRO   8          1HB       PRO   8  12.275   6.677   2.790
   59   2HB   PRO   8          2HB       PRO   8  10.738   6.001   3.352
   60   1HG   PRO   8          1HG       PRO   8  13.480   5.469   4.318
   61   2HG   PRO   8          2HG       PRO   8  11.937   5.304   5.165
   62   1HD   PRO   8          1HD       PRO   8  13.482   3.208   3.999
   63   2HD   PRO   8          2HD       PRO   8  11.847   3.075   4.689
   64    H    ASP   9           H        ASP   9  12.541   3.354   0.021
   65    HA   ASP   9           HA       ASP   9  14.579   5.285  -0.896
   66   1HB   ASP   9          1HB       ASP   9  14.993   2.289  -0.740
   67   2HB   ASP   9          2HB       ASP   9  16.166   3.491  -1.279
   68    H    LYS  10           H        LYS  10  14.134   5.852  -2.909
   69    HA   LYS  10           HA       LYS  10  13.271   3.794  -4.826
   70   1HB   LYS  10          1HB       LYS  10  11.328   5.262  -3.821
   71   2HB   LYS  10          2HB       LYS  10  11.951   6.480  -4.936
   72   1HG   LYS  10          1HG       LYS  10  11.487   5.175  -6.828
   73   2HG   LYS  10          2HG       LYS  10  11.432   3.676  -5.899
   74   1HD   LYS  10          1HD       LYS  10   9.170   3.987  -6.101
   75   2HD   LYS  10          2HD       LYS  10   9.421   5.018  -4.693
   76   1HE   LYS  10          1HE       LYS  10   8.295   6.499  -6.072
   77   2HE   LYS  10          2HE       LYS  10   9.958   6.840  -6.553
   78   1HZ   LYS  10          1HZ       LYS  10   8.460   4.713  -7.921
   79   2HZ   LYS  10          2HZ       LYS  10   8.176   6.334  -8.342
   80   3HZ   LYS  10          3HZ       LYS  10   9.732   5.672  -8.499

  No H/Q in entry =          80
  Start of MODEL   17
    1    H1   LEU   1           H1       LEU   1  -2.481  -8.191  -0.583
    2    H2   LEU   1           H2       LEU   1  -2.535  -9.801  -1.122
    3    H3   LEU   1           H3       LEU   1  -1.072  -8.942  -1.167
    4    HA   LEU   1           HA       LEU   1  -1.746  -8.856  -3.360
    5   1HB   LEU   1          1HB       LEU   1  -4.148  -9.656  -2.440
    6   2HB   LEU   1          2HB       LEU   1  -4.523  -7.962  -2.762
    7    HG   LEU   1           HG       LEU   1  -3.358  -8.374  -5.051
    8   1HD1  LEU   1          1HD1      LEU   1  -3.635 -11.120  -3.906
    9   2HD1  LEU   1          2HD1      LEU   1  -3.960 -10.911  -5.626
   10   3HD1  LEU   1          3HD1      LEU   1  -2.386 -10.467  -4.966
   11   1HD2  LEU   1          1HD2      LEU   1  -6.034  -9.608  -4.326
   12   2HD2  LEU   1          2HD2      LEU   1  -5.748  -7.951  -4.858
   13   3HD2  LEU   1          3HD2      LEU   1  -5.503  -9.292  -5.977
   14    H    GLY   2           H        GLY   2  -1.195  -7.036  -4.402
   15   1HA   GLY   2          1HA       GLY   2  -2.037  -4.436  -3.277
   16   2HA   GLY   2          2HA       GLY   2  -1.551  -4.709  -4.949
   17    H    ALA   3           H        ALA   3  -0.470  -2.685  -3.308
   18    HA   ALA   3           HA       ALA   3   2.340  -3.299  -3.565
   19   1HB   ALA   3          1HB       ALA   3   2.632  -0.953  -2.699
   20   2HB   ALA   3          2HB       ALA   3   0.876  -0.840  -2.589
   21   3HB   ALA   3          3HB       ALA   3   1.647  -1.073  -4.158
   22    H    SER   4           H        SER   4   3.854  -2.678  -1.781
   23    HA   SER   4           HA       SER   4   2.850  -3.063   0.931
   24   1HB   SER   4          1HB       SER   4   4.762  -4.842   1.206
   25   2HB   SER   4          2HB       SER   4   3.187  -5.340   0.598
   26    HG   SER   4           HG       SER   4   4.170  -5.916  -1.156
   27    H    TRP   5           H        TRP   5   4.442  -2.650   2.538
   28    HA   TRP   5           HA       TRP   5   6.300  -0.595   1.644
   29   1HB   TRP   5          1HB       TRP   5   4.654  -0.589   3.732
   30   2HB   TRP   5          2HB       TRP   5   6.045  -1.341   4.515
   31    HD1  TRP   5           HD1      TRP   5   5.145   1.797   2.478
   32    HE1  TRP   5           HE1      TRP   5   6.784   3.683   3.147
   33    HE3  TRP   5           HE3      TRP   5   8.212  -0.790   5.611
   34    HZ2  TRP   5           HZ2      TRP   5   9.105   4.029   4.805
   35    HZ3  TRP   5           HZ3      TRP   5  10.117   0.321   6.722
   36    HH2  TRP   5           HH2      TRP   5  10.574   2.727   6.326
   37    H    HIS   6           H        HIS   6   8.432  -0.719   1.672
   38    HA   HIS   6           HA       HIS   6   9.720  -3.087   2.877
   39   1HB   HIS   6          1HB       HIS   6   9.852  -2.054   0.104
   40   2HB   HIS   6          2HB       HIS   6  11.400  -2.482   0.828
   41    HD1  HIS   6           HD1      HIS   6  11.183  -4.973   2.194
   42    HD2  HIS   6           HD2      HIS   6   8.690  -4.254  -1.070
   43    HE1  HIS   6           HE1      HIS   6  10.377  -7.237   1.395
   44    H    ARG   7           H        ARG   7  10.164   0.201   1.647
   45    HA   ARG   7           HA       ARG   7  11.391   1.247   3.918
   46   1HB   ARG   7          1HB       ARG   7  13.212  -0.301   2.234
   47   2HB   ARG   7          2HB       ARG   7  13.734   1.375   2.401
   48   1HG   ARG   7          1HG       ARG   7  14.016   1.208   4.690
   49   2HG   ARG   7          2HG       ARG   7  12.812  -0.071   4.850
   50   1HD   ARG   7          1HD       ARG   7  14.934  -1.115   5.197
   51   2HD   ARG   7          2HD       ARG   7  14.415  -1.578   3.581
   52    HE   ARG   7           HE       ARG   7  16.253  -0.454   2.746
   53   1HH1  ARG   7          1HH1      ARG   7  15.552   0.737   5.961
   54   2HH1  ARG   7          2HH1      ARG   7  16.968   1.729   6.026
   55   1HH2  ARG   7          1HH2      ARG   7  18.089   0.851   2.873
   56   2HH2  ARG   7          2HH2      ARG   7  18.394   1.792   4.294
   57    HA   PRO   8           HA       PRO   8  10.795   4.819   1.394
   58   1HB   PRO   8          1HB       PRO   8  12.275   6.666   2.752
   59   2HB   PRO   8          2HB       PRO   8  10.732   6.015   3.325
   60   1HG   PRO   8          1HG       PRO   8  13.472   5.462   4.289
   61   2HG   PRO   8          2HG       PRO   8  11.929   5.342   5.149
   62   1HD   PRO   8          1HD       PRO   8  13.428   3.191   4.032
   63   2HD   PRO   8          2HD       PRO   8  11.784   3.109   4.706
   64    H    ASP   9           H        ASP   9  12.515   3.295   0.038
   65    HA   ASP   9           HA       ASP   9  14.975   4.781  -0.511
   66   1HB   ASP   9          1HB       ASP   9  15.426   2.910  -2.117
   67   2HB   ASP   9          2HB       ASP   9  15.206   2.376  -0.449
   68    H    LYS  10           H        LYS  10  14.148   6.678  -1.435
   69    HA   LYS  10           HA       LYS  10  13.494   8.044  -3.166
   70   1HB   LYS  10          1HB       LYS  10  15.113   6.353  -4.356
   71   2HB   LYS  10          2HB       LYS  10  13.625   5.732  -5.072
   72   1HG   LYS  10          1HG       LYS  10  14.018   8.689  -5.087
   73   2HG   LYS  10          2HG       LYS  10  15.001   7.736  -6.198
   74   1HD   LYS  10          1HD       LYS  10  12.094   7.087  -6.062
   75   2HD   LYS  10          2HD       LYS  10  12.547   8.594  -6.858
   76   1HE   LYS  10          1HE       LYS  10  13.760   5.896  -7.515
   77   2HE   LYS  10          2HE       LYS  10  12.443   6.636  -8.424
   78   1HZ   LYS  10          1HZ       LYS  10  14.031   8.635  -8.563
   79   2HZ   LYS  10          2HZ       LYS  10  15.245   7.511  -8.177
   80   3HZ   LYS  10          3HZ       LYS  10  14.307   7.305  -9.579

  No H/Q in entry =          80
  Start of MODEL   18
    1    H1   LEU   1           H1       LEU   1  -3.600  -5.597  -7.531
    2    H2   LEU   1           H2       LEU   1  -4.114  -4.361  -8.579
    3    H3   LEU   1           H3       LEU   1  -3.171  -5.638  -9.175
    4    HA   LEU   1           HA       LEU   1  -1.241  -4.887  -8.173
    5   1HB   LEU   1          1HB       LEU   1  -2.983  -2.703  -9.256
    6   2HB   LEU   1          2HB       LEU   1  -1.431  -2.267  -8.539
    7    HG   LEU   1           HG       LEU   1  -1.548  -4.519 -10.521
    8   1HD1  LEU   1          1HD1      LEU   1  -1.587  -1.554 -11.145
    9   2HD1  LEU   1          2HD1      LEU   1  -1.057  -2.777 -12.300
   10   3HD1  LEU   1          3HD1      LEU   1  -2.719  -2.783 -11.709
   11   1HD2  LEU   1          1HD2      LEU   1   0.504  -2.384  -9.848
   12   2HD2  LEU   1          2HD2      LEU   1   0.530  -4.049  -9.268
   13   3HD2  LEU   1          3HD2      LEU   1   0.743  -3.711 -10.986
   14    H    GLY   2           H        GLY   2  -1.490  -5.501  -5.941
   15   1HA   GLY   2          1HA       GLY   2  -1.768  -5.129  -3.663
   16   2HA   GLY   2          2HA       GLY   2  -2.694  -3.681  -4.050
   17    H    ALA   3           H        ALA   3  -0.248  -4.451  -2.270
   18    HA   ALA   3           HA       ALA   3   1.960  -2.923  -3.188
   19   1HB   ALA   3          1HB       ALA   3  -0.016  -1.517  -1.389
   20   2HB   ALA   3          2HB       ALA   3   0.648  -0.955  -2.924
   21   3HB   ALA   3          3HB       ALA   3   1.678  -1.039  -1.494
   22    H    SER   4           H        SER   4   3.410  -2.307  -1.252
   23    HA   SER   4           HA       SER   4   3.058  -3.801   1.185
   24   1HB   SER   4          1HB       SER   4   5.232  -4.713  -0.713
   25   2HB   SER   4          2HB       SER   4   4.924  -5.332   0.907
   26    HG   SER   4           HG       SER   4   2.785  -5.886   0.089
   27    H    TRP   5           H        TRP   5   4.742  -3.440   2.694
   28    HA   TRP   5           HA       TRP   5   6.031  -0.861   2.277
   29   1HB   TRP   5          1HB       TRP   5   4.750  -1.833   4.415
   30   2HB   TRP   5          2HB       TRP   5   6.382  -2.373   4.810
   31    HD1  TRP   5           HD1      TRP   5   4.630   0.887   3.666
   32    HE1  TRP   5           HE1      TRP   5   5.830   2.871   4.802
   33    HE3  TRP   5           HE3      TRP   5   8.309  -1.625   6.119
   34    HZ2  TRP   5           HZ2      TRP   5   8.074   3.320   6.536
   35    HZ3  TRP   5           HZ3      TRP   5   9.960  -0.414   7.513
   36    HH2  TRP   5           HH2      TRP   5   9.850   2.055   7.724
   37    H    HIS   6           H        HIS   6   8.040  -0.649   1.670
   38    HA   HIS   6           HA       HIS   6   9.949  -2.863   2.145
   39   1HB   HIS   6          1HB       HIS   6   9.129  -1.596  -0.320
   40   2HB   HIS   6          2HB       HIS   6  10.857  -1.369  -0.072
   41    HD1  HIS   6           HD1      HIS   6  11.958  -3.153  -1.443
   42    HD2  HIS   6           HD2      HIS   6   8.713  -4.644   0.709
   43    HE1  HIS   6           HE1      HIS   6  11.933  -5.656  -1.827
   44    H    ARG   7           H        ARG   7   9.294   0.470   2.550
   45    HA   ARG   7           HA       ARG   7  10.412   1.967   3.930
   46   1HB   ARG   7          1HB       ARG   7  12.979   0.443   3.411
   47   2HB   ARG   7          2HB       ARG   7  12.753   1.780   4.528
   48   1HG   ARG   7          1HG       ARG   7  11.401   0.511   5.975
   49   2HG   ARG   7          2HG       ARG   7  11.124  -0.743   4.766
   50   1HD   ARG   7          1HD       ARG   7  12.753  -1.769   6.051
   51   2HD   ARG   7          2HD       ARG   7  13.759  -0.951   4.860
   52    HE   ARG   7           HE       ARG   7  13.461   0.870   6.911
   53   1HH1  ARG   7          1HH1      ARG   7  14.648  -2.413   6.627
   54   2HH1  ARG   7          2HH1      ARG   7  15.774  -2.237   7.929
   55   1HH2  ARG   7          1HH2      ARG   7  14.944   1.054   8.600
   56   2HH2  ARG   7          2HH2      ARG   7  15.941  -0.293   9.037
   57    HA   PRO   8           HA       PRO   8  11.760   4.419   0.492
   58   1HB   PRO   8          1HB       PRO   8  12.305   6.736   1.818
   59   2HB   PRO   8          2HB       PRO   8  10.670   6.135   1.506
   60   1HG   PRO   8          1HG       PRO   8  12.179   6.212   4.045
   61   2HG   PRO   8          2HG       PRO   8  10.431   6.188   3.774
   62   1HD   PRO   8          1HD       PRO   8  12.082   3.975   4.520
   63   2HD   PRO   8          2HD       PRO   8  10.359   3.934   4.079
   64    H    ASP   9           H        ASP   9  13.810   2.709   1.330
   65    HA   ASP   9           HA       ASP   9  16.202   4.193   1.955
   66   1HB   ASP   9          1HB       ASP   9  15.809   1.769   2.576
   67   2HB   ASP   9          2HB       ASP   9  16.036   1.376   0.872
   68    H    LYS  10           H        LYS  10  17.144   5.470   0.517
   69    HA   LYS  10           HA       LYS  10  17.127   4.653  -2.329
   70   1HB   LYS  10          1HB       LYS  10  16.089   6.954  -1.362
   71   2HB   LYS  10          2HB       LYS  10  17.754   7.468  -1.630
   72   1HG   LYS  10          1HG       LYS  10  17.609   7.225  -3.912
   73   2HG   LYS  10          2HG       LYS  10  16.468   5.883  -3.801
   74   1HD   LYS  10          1HD       LYS  10  14.627   7.303  -3.498
   75   2HD   LYS  10          2HD       LYS  10  15.633   8.648  -2.956
   76   1HE   LYS  10          1HE       LYS  10  16.094   7.619  -5.719
   77   2HE   LYS  10          2HE       LYS  10  14.626   8.555  -5.436
   78   1HZ   LYS  10          1HZ       LYS  10  16.106  10.240  -4.340
   79   2HZ   LYS  10          2HZ       LYS  10  17.430   9.389  -4.979
   80   3HZ   LYS  10          3HZ       LYS  10  16.292  10.090  -6.022

  No H/Q in entry =          80
  Start of MODEL   19
    1    H1   LEU   1           H1       LEU   1   3.501   4.900  -1.962
    2    H2   LEU   1           H2       LEU   1   3.596   5.764  -3.421
    3    H3   LEU   1           H3       LEU   1   3.471   6.595  -1.945
    4    HA   LEU   1           HA       LEU   1   1.255   6.158  -1.694
    5   1HB   LEU   1          1HB       LEU   1   2.072   6.578  -4.517
    6   2HB   LEU   1          2HB       LEU   1   0.404   6.058  -4.273
    7    HG   LEU   1           HG       LEU   1   0.432   7.921  -2.395
    8   1HD1  LEU   1          1HD1      LEU   1   2.723   8.634  -4.229
    9   2HD1  LEU   1          2HD1      LEU   1   1.834   9.870  -3.337
   10   3HD1  LEU   1          3HD1      LEU   1   2.702   8.606  -2.465
   11   1HD2  LEU   1          1HD2      LEU   1   0.234   8.386  -5.383
   12   2HD2  LEU   1          2HD2      LEU   1  -1.082   8.028  -4.264
   13   3HD2  LEU   1          3HD2      LEU   1  -0.259   9.586  -4.188
   14    H    GLY   2           H        GLY   2   2.719   3.875  -3.979
   15   1HA   GLY   2          1HA       GLY   2   2.264   1.659  -4.435
   16   2HA   GLY   2          2HA       GLY   2   0.572   2.051  -4.140
   17    H    ALA   3           H        ALA   3   0.065   0.210  -2.979
   18    HA   ALA   3           HA       ALA   3   0.539   0.233  -0.200
   19   1HB   ALA   3          1HB       ALA   3  -1.374  -0.921  -1.455
   20   2HB   ALA   3          2HB       ALA   3  -0.236  -2.238  -1.742
   21   3HB   ALA   3          3HB       ALA   3  -0.674  -1.795  -0.092
   22    H    SER   4           H        SER   4   1.198  -2.134   0.726
   23    HA   SER   4           HA       SER   4   2.950  -3.497   1.289
   24   1HB   SER   4          1HB       SER   4   3.770  -3.121  -1.600
   25   2HB   SER   4          2HB       SER   4   4.399  -4.346  -0.501
   26    HG   SER   4           HG       SER   4   2.277  -5.165  -0.331
   27    H    TRP   5           H        TRP   5   4.586  -3.005   2.501
   28    HA   TRP   5           HA       TRP   5   6.164  -0.611   1.819
   29   1HB   TRP   5          1HB       TRP   5   4.797  -1.065   4.108
   30   2HB   TRP   5          2HB       TRP   5   6.357  -1.762   4.546
   31    HD1  TRP   5           HD1      TRP   5   4.986   1.469   2.953
   32    HE1  TRP   5           HE1      TRP   5   6.498   3.434   3.697
   33    HE3  TRP   5           HE3      TRP   5   8.466  -1.088   5.656
   34    HZ2  TRP   5           HZ2      TRP   5   8.888   3.845   5.242
   35    HZ3  TRP   5           HZ3      TRP   5  10.341   0.097   6.750
   36    HH2  TRP   5           HH2      TRP   5  10.558   2.559   6.549
   37    H    HIS   6           H        HIS   6   8.394  -0.585   2.330
   38    HA   HIS   6           HA       HIS   6   9.788  -3.088   2.785
   39   1HB   HIS   6          1HB       HIS   6   9.357  -2.164   0.118
   40   2HB   HIS   6          2HB       HIS   6  11.056  -1.888   0.496
   41    HD1  HIS   6           HD1      HIS   6  11.852  -3.858  -1.005
   42    HD2  HIS   6           HD2      HIS   6   9.248  -5.014   2.039
   43    HE1  HIS   6           HE1      HIS   6  11.959  -6.387  -0.893
   44    H    ARG   7           H        ARG   7  10.092   0.277   1.728
   45    HA   ARG   7           HA       ARG   7  11.356   1.340   3.918
   46   1HB   ARG   7          1HB       ARG   7  13.225  -0.268   2.309
   47   2HB   ARG   7          2HB       ARG   7  13.766   1.391   2.572
   48   1HG   ARG   7          1HG       ARG   7  13.981   1.111   4.839
   49   2HG   ARG   7          2HG       ARG   7  12.641  -0.033   4.931
   50   1HD   ARG   7          1HD       ARG   7  14.028  -1.786   3.944
   51   2HD   ARG   7          2HD       ARG   7  15.358  -0.653   3.739
   52    HE   ARG   7           HE       ARG   7  14.842  -0.553   6.420
   53   1HH1  ARG   7          1HH1      ARG   7  15.470  -3.156   4.166
   54   2HH1  ARG   7          2HH1      ARG   7  16.212  -4.163   5.359
   55   1HH2  ARG   7          1HH2      ARG   7  15.819  -1.896   7.945
   56   2HH2  ARG   7          2HH2      ARG   7  16.412  -3.457   7.481
   57    HA   PRO   8           HA       PRO   8  10.909   4.789   1.190
   58   1HB   PRO   8          1HB       PRO   8  12.123   6.722   2.684
   59   2HB   PRO   8          2HB       PRO   8  10.539   6.027   3.059
   60   1HG   PRO   8          1HG       PRO   8  13.128   5.618   4.419
   61   2HG   PRO   8          2HG       PRO   8  11.484   5.424   5.045
   62   1HD   PRO   8          1HD       PRO   8  13.251   3.352   4.173
   63   2HD   PRO   8          2HD       PRO   8  11.550   3.178   4.661
   64    H    ASP   9           H        ASP   9  12.847   3.295   0.132
   65    HA   ASP   9           HA       ASP   9  15.439   4.443   0.001
   66   1HB   ASP   9          1HB       ASP   9  13.915   2.481  -1.678
   67   2HB   ASP   9          2HB       ASP   9  15.434   3.145  -2.283
   68    H    LYS  10           H        LYS  10  15.969   6.347  -0.820
   69    HA   LYS  10           HA       LYS  10  14.282   7.499  -2.956
   70   1HB   LYS  10          1HB       LYS  10  16.292   8.931  -1.204
   71   2HB   LYS  10          2HB       LYS  10  15.116   9.665  -2.293
   72   1HG   LYS  10          1HG       LYS  10  13.343   8.392  -0.880
   73   2HG   LYS  10          2HG       LYS  10  14.628   8.243   0.319
   74   1HD   LYS  10          1HD       LYS  10  14.848  10.882  -0.287
   75   2HD   LYS  10          2HD       LYS  10  13.119  10.647  -0.547
   76   1HE   LYS  10          1HE       LYS  10  13.073  11.070   1.716
   77   2HE   LYS  10          2HE       LYS  10  13.349   9.330   1.776
   78   1HZ   LYS  10          1HZ       LYS  10  15.462  11.416   1.861
   79   2HZ   LYS  10          2HZ       LYS  10  14.897  10.528   3.194
   80   3HZ   LYS  10          3HZ       LYS  10  15.720   9.741   1.933

  No H/Q in entry =          80
  Start of MODEL   20
    1    H1   LEU   1           H1       LEU   1   2.040  -9.703  -7.156
    2    H2   LEU   1           H2       LEU   1   3.396  -9.667  -6.132
    3    H3   LEU   1           H3       LEU   1   2.572 -11.127  -6.404
    4    HA   LEU   1           HA       LEU   1   0.714 -10.465  -5.169
    5   1HB   LEU   1          1HB       LEU   1   3.231 -10.659  -4.044
    6   2HB   LEU   1          2HB       LEU   1   2.649  -9.127  -3.392
    7    HG   LEU   1           HG       LEU   1   0.447 -10.473  -2.922
    8   1HD1  LEU   1          1HD1      LEU   1   2.535 -12.654  -3.190
    9   2HD1  LEU   1          2HD1      LEU   1   0.981 -12.869  -2.384
   10   3HD1  LEU   1          3HD1      LEU   1   1.036 -12.504  -4.108
   11   1HD2  LEU   1          1HD2      LEU   1   2.339  -9.581  -1.324
   12   2HD2  LEU   1          2HD2      LEU   1   1.166 -10.746  -0.712
   13   3HD2  LEU   1          3HD2      LEU   1   2.774 -11.285  -1.199
   14    H    GLY   2           H        GLY   2   0.211  -8.553  -3.410
   15   1HA   GLY   2          1HA       GLY   2  -0.974  -6.532  -3.472
   16   2HA   GLY   2          2HA       GLY   2  -0.326  -6.227  -5.080
   17    H    ALA   3           H        ALA   3  -0.457  -4.328  -2.956
   18    HA   ALA   3           HA       ALA   3   2.152  -3.247  -3.062
   19   1HB   ALA   3          1HB       ALA   3   0.212  -2.480  -0.905
   20   2HB   ALA   3          2HB       ALA   3  -0.144  -2.085  -2.587
   21   3HB   ALA   3          3HB       ALA   3   1.317  -1.459  -1.824
   22    H    SER   4           H        SER   4   3.424  -2.638  -1.097
   23    HA   SER   4           HA       SER   4   3.249  -4.119   1.314
   24   1HB   SER   4          1HB       SER   4   5.327  -5.521   0.931
   25   2HB   SER   4          2HB       SER   4   3.881  -6.068   0.084
   26    HG   SER   4           HG       SER   4   5.502  -6.032  -1.408
   27    H    TRP   5           H        TRP   5   4.610  -3.352   2.824
   28    HA   TRP   5           HA       TRP   5   5.994  -0.914   2.242
   29   1HB   TRP   5          1HB       TRP   5   4.809  -1.887   4.457
   30   2HB   TRP   5          2HB       TRP   5   6.489  -2.285   4.816
   31    HD1  TRP   5           HD1      TRP   5   4.588   0.805   3.426
   32    HE1  TRP   5           HE1      TRP   5   5.621   2.913   4.500
   33    HE3  TRP   5           HE3      TRP   5   8.214  -1.360   6.239
   34    HZ2  TRP   5           HZ2      TRP   5   7.732   3.580   6.332
   35    HZ3  TRP   5           HZ3      TRP   5   9.723   0.014   7.657
   36    HH2  TRP   5           HH2      TRP   5   9.485   2.483   7.703
   37    H    HIS   6           H        HIS   6   8.017  -0.617   1.714
   38    HA   HIS   6           HA       HIS   6   9.961  -2.817   2.096
   39   1HB   HIS   6          1HB       HIS   6   9.084  -1.507  -0.330
   40   2HB   HIS   6          2HB       HIS   6  10.814  -1.280  -0.106
   41    HD1  HIS   6           HD1      HIS   6  11.299  -2.968  -2.065
   42    HD2  HIS   6           HD2      HIS   6   9.291  -4.641   1.181
   43    HE1  HIS   6           HE1      HIS   6  11.428  -5.480  -2.361
   44    H    ARG   7           H        ARG   7   9.263   0.490   2.593
   45    HA   ARG   7           HA       ARG   7  10.383   2.010   3.920
   46   1HB   ARG   7          1HB       ARG   7  12.971   0.510   3.478
   47   2HB   ARG   7          2HB       ARG   7  12.625   1.737   4.693
   48   1HG   ARG   7          1HG       ARG   7  10.749   0.101   5.447
   49   2HG   ARG   7          2HG       ARG   7  11.682  -1.107   4.573
   50   1HD   ARG   7          1HD       ARG   7  12.984   0.720   6.583
   51   2HD   ARG   7          2HD       ARG   7  12.208  -0.779   7.084
   52    HE   ARG   7           HE       ARG   7  13.879  -1.557   5.061
   53   1HH1  ARG   7          1HH1      ARG   7  14.314   0.252   8.026
   54   2HH1  ARG   7          2HH1      ARG   7  15.949  -0.269   8.237
   55   1HH2  ARG   7          1HH2      ARG   7  16.013  -2.209   5.373
   56   2HH2  ARG   7          2HH2      ARG   7  16.906  -1.650   6.747
   57    HA   PRO   8           HA       PRO   8  11.836   4.374   0.456
   58   1HB   PRO   8          1HB       PRO   8  12.337   6.721   1.750
   59   2HB   PRO   8          2HB       PRO   8  10.714   6.122   1.373
   60   1HG   PRO   8          1HG       PRO   8  12.119   6.221   3.980
   61   2HG   PRO   8          2HG       PRO   8  10.384   6.258   3.633
   62   1HD   PRO   8          1HD       PRO   8  11.873   4.006   4.520
   63   2HD   PRO   8          2HD       PRO   8  10.202   4.004   3.913
   64    H    ASP   9           H        ASP   9  13.830   2.676   1.293
   65    HA   ASP   9           HA       ASP   9  16.111   2.372   1.311
   66   1HB   ASP   9          1HB       ASP   9  15.666   4.072  -0.695
   67   2HB   ASP   9          2HB       ASP   9  16.595   5.150   0.348
   68    H    LYS  10           H        LYS  10  16.774   2.246   3.380
   69    HA   LYS  10           HA       LYS  10  17.716   2.859   5.387
   70   1HB   LYS  10          1HB       LYS  10  19.341   4.000   3.840
   71   2HB   LYS  10          2HB       LYS  10  18.381   5.471   4.014
   72   1HG   LYS  10          1HG       LYS  10  18.678   4.846   6.618
   73   2HG   LYS  10          2HG       LYS  10  20.158   4.125   5.986
   74   1HD   LYS  10          1HD       LYS  10  20.471   6.382   4.741
   75   2HD   LYS  10          2HD       LYS  10  19.280   7.005   5.884
   76   1HE   LYS  10          1HE       LYS  10  21.692   5.461   6.831
   77   2HE   LYS  10          2HE       LYS  10  21.776   7.198   6.538
   78   1HZ   LYS  10          1HZ       LYS  10  19.888   7.478   8.055
   79   2HZ   LYS  10          2HZ       LYS  10  19.906   5.810   8.381
   80   3HZ   LYS  10          3HZ       LYS  10  21.228   6.781   8.828

  No H/Q in entry =          80
  Start of MODEL   21
    1    H1   LEU   1           H1       LEU   1  -2.680   1.823   0.946
    2    H2   LEU   1           H2       LEU   1  -3.915   2.876   0.447
    3    H3   LEU   1           H3       LEU   1  -3.804   2.403   2.075
    4    HA   LEU   1           HA       LEU   1  -5.464   1.020   1.389
    5   1HB   LEU   1          1HB       LEU   1  -5.429  -0.034  -0.903
    6   2HB   LEU   1          2HB       LEU   1  -5.550   1.724  -0.920
    7    HG   LEU   1           HG       LEU   1  -2.903   1.585  -1.030
    8   1HD1  LEU   1          1HD1      LEU   1  -3.871  -1.152  -1.759
    9   2HD1  LEU   1          2HD1      LEU   1  -2.521  -0.470  -2.667
   10   3HD1  LEU   1          3HD1      LEU   1  -2.395  -0.673  -0.920
   11   1HD2  LEU   1          1HD2      LEU   1  -4.516   2.502  -2.748
   12   2HD2  LEU   1          2HD2      LEU   1  -3.058   1.782  -3.432
   13   3HD2  LEU   1          3HD2      LEU   1  -4.579   0.888  -3.457
   14    H    GLY   2           H        GLY   2  -2.831   0.584   2.648
   15   1HA   GLY   2          1HA       GLY   2  -2.865  -2.326   2.577
   16   2HA   GLY   2          2HA       GLY   2  -1.967  -1.316   3.707
   17    H    ALA   3           H        ALA   3  -1.887  -3.066   0.752
   18    HA   ALA   3           HA       ALA   3  -0.187  -3.628  -0.690
   19   1HB   ALA   3          1HB       ALA   3   1.121  -0.982  -0.112
   20   2HB   ALA   3          2HB       ALA   3   1.090  -1.896  -1.620
   21   3HB   ALA   3          3HB       ALA   3  -0.362  -1.065  -1.064
   22    H    SER   4           H        SER   4   2.448  -3.337  -0.780
   23    HA   SER   4           HA       SER   4   3.338  -4.484   1.782
   24   1HB   SER   4          1HB       SER   4   5.391  -5.083   0.299
   25   2HB   SER   4          2HB       SER   4   3.896  -5.989   0.080
   26    HG   SER   4           HG       SER   4   5.107  -4.071  -1.547
   27    H    TRP   5           H        TRP   5   5.061  -3.694   2.898
   28    HA   TRP   5           HA       TRP   5   5.961  -0.999   2.113
   29   1HB   TRP   5          1HB       TRP   5   4.844  -1.760   4.458
   30   2HB   TRP   5          2HB       TRP   5   6.551  -1.999   4.834
   31    HD1  TRP   5           HD1      TRP   5   4.408   0.753   3.130
   32    HE1  TRP   5           HE1      TRP   5   5.319   3.046   3.889
   33    HE3  TRP   5           HE3      TRP   5   8.266  -0.781   6.063
   34    HZ2  TRP   5           HZ2      TRP   5   7.423   4.086   5.541
   35    HZ3  TRP   5           HZ3      TRP   5   9.706   0.867   7.234
   36    HH2  TRP   5           HH2      TRP   5   9.292   3.297   6.971
   37    H    HIS   6           H        HIS   6   7.975  -0.675   1.526
   38    HA   HIS   6           HA       HIS   6   9.976  -2.787   2.071
   39   1HB   HIS   6          1HB       HIS   6   9.151  -1.511  -0.390
   40   2HB   HIS   6          2HB       HIS   6  10.867  -1.235  -0.109
   41    HD1  HIS   6           HD1      HIS   6  12.307  -3.484   0.413
   42    HD2  HIS   6           HD2      HIS   6   8.552  -4.069  -1.300
   43    HE1  HIS   6           HE1      HIS   6  12.296  -5.846  -0.502
   44    H    ARG   7           H        ARG   7   9.177   0.513   2.502
   45    HA   ARG   7           HA       ARG   7  10.212   2.095   3.830
   46   1HB   ARG   7          1HB       ARG   7  12.819   0.579   3.643
   47   2HB   ARG   7          2HB       ARG   7  12.368   1.825   4.802
   48   1HG   ARG   7          1HG       ARG   7  11.239   0.372   6.121
   49   2HG   ARG   7          2HG       ARG   7  10.553  -0.500   4.756
   50   1HD   ARG   7          1HD       ARG   7  13.372  -0.976   4.771
   51   2HD   ARG   7          2HD       ARG   7  12.769  -1.241   6.404
   52    HE   ARG   7           HE       ARG   7  11.152  -2.501   4.369
   53   1HH1  ARG   7          1HH1      ARG   7  13.978  -2.831   6.408
   54   2HH1  ARG   7          2HH1      ARG   7  13.944  -4.560   6.368
   55   1HH2  ARG   7          1HH2      ARG   7  11.146  -4.757   4.341
   56   2HH2  ARG   7          2HH2      ARG   7  12.357  -5.642   5.208
   57    HA   PRO   8           HA       PRO   8  12.016   4.284   0.413
   58   1HB   PRO   8          1HB       PRO   8  12.420   6.689   1.630
   59   2HB   PRO   8          2HB       PRO   8  10.831   6.079   1.147
   60   1HG   PRO   8          1HG       PRO   8  11.989   6.340   3.850
   61   2HG   PRO   8          2HG       PRO   8  10.292   6.291   3.352
   62   1HD   PRO   8          1HD       PRO   8  11.823   4.146   4.466
   63   2HD   PRO   8          2HD       PRO   8  10.164   4.068   3.827
   64    H    ASP   9           H        ASP   9  13.906   2.622   1.604
   65    HA   ASP   9           HA       ASP   9  16.177   2.314   1.800
   66   1HB   ASP   9          1HB       ASP   9  16.116   3.671  -0.350
   67   2HB   ASP   9          2HB       ASP   9  16.482   5.086   0.638
   68    H    LYS  10           H        LYS  10  18.029   2.944   3.055
   69    HA   LYS  10           HA       LYS  10  17.326   4.183   5.522
   70   1HB   LYS  10          1HB       LYS  10  19.236   2.426   4.865
   71   2HB   LYS  10          2HB       LYS  10  20.196   3.904   4.787
   72   1HG   LYS  10          1HG       LYS  10  20.430   3.469   7.034
   73   2HG   LYS  10          2HG       LYS  10  18.917   4.373   7.102
   74   1HD   LYS  10          1HD       LYS  10  18.540   2.381   8.367
   75   2HD   LYS  10          2HD       LYS  10  17.722   2.133   6.823
   76   1HE   LYS  10          1HE       LYS  10  18.886   0.156   6.882
   77   2HE   LYS  10          2HE       LYS  10  20.154   1.162   6.181
   78   1HZ   LYS  10          1HZ       LYS  10  19.800   0.621   9.080
   79   2HZ   LYS  10          2HZ       LYS  10  20.950  -0.122   8.078
   80   3HZ   LYS  10          3HZ       LYS  10  21.041   1.548   8.380

  No H/Q in entry =          80
  Start of MODEL   22
    1    H1   LEU   1           H1       LEU   1  -3.204  -5.432   1.534
    2    H2   LEU   1           H2       LEU   1  -4.156  -6.101   2.772
    3    H3   LEU   1           H3       LEU   1  -4.164  -6.798   1.225
    4    HA   LEU   1           HA       LEU   1  -6.120  -5.617   1.195
    5   1HB   LEU   1          1HB       LEU   1  -4.598  -3.855   3.048
    6   2HB   LEU   1          2HB       LEU   1  -5.824  -3.072   2.049
    7    HG   LEU   1           HG       LEU   1  -6.466  -5.609   3.538
    8   1HD1  LEU   1          1HD1      LEU   1  -5.524  -3.926   5.148
    9   2HD1  LEU   1          2HD1      LEU   1  -6.777  -2.797   4.632
   10   3HD1  LEU   1          3HD1      LEU   1  -7.222  -4.301   5.439
   11   1HD2  LEU   1          1HD2      LEU   1  -8.005  -4.734   1.784
   12   2HD2  LEU   1          2HD2      LEU   1  -8.742  -4.710   3.386
   13   3HD2  LEU   1          3HD2      LEU   1  -8.126  -3.217   2.676
   14    H    GLY   2           H        GLY   2  -3.240  -3.520   0.941
   15   1HA   GLY   2          1HA       GLY   2  -3.964  -1.939  -1.189
   16   2HA   GLY   2          2HA       GLY   2  -3.377  -3.427  -1.927
   17    H    ALA   3           H        ALA   3  -1.428  -2.910  -2.728
   18    HA   ALA   3           HA       ALA   3   0.790  -2.308  -2.814
   19   1HB   ALA   3          1HB       ALA   3   1.344  -0.346  -1.104
   20   2HB   ALA   3          2HB       ALA   3   0.422  -0.049  -2.578
   21   3HB   ALA   3          3HB       ALA   3  -0.414  -0.237  -1.036
   22    H    SER   4           H        SER   4   2.739  -1.787  -1.170
   23    HA   SER   4           HA       SER   4   2.551  -3.256   1.325
   24   1HB   SER   4          1HB       SER   4   4.311  -4.296  -0.907
   25   2HB   SER   4          2HB       SER   4   4.291  -4.893   0.750
   26    HG   SER   4           HG       SER   4   2.503  -5.283  -1.322
   27    H    TRP   5           H        TRP   5   4.519  -3.174   2.556
   28    HA   TRP   5           HA       TRP   5   5.977  -0.697   2.009
   29   1HB   TRP   5          1HB       TRP   5   4.813  -1.477   4.280
   30   2HB   TRP   5          2HB       TRP   5   6.385  -2.239   4.523
   31    HD1  TRP   5           HD1      TRP   5   4.880   1.205   3.703
   32    HE1  TRP   5           HE1      TRP   5   6.492   3.019   4.600
   33    HE3  TRP   5           HE3      TRP   5   8.680  -1.754   5.351
   34    HZ2  TRP   5           HZ2      TRP   5   9.073   3.171   5.855
   35    HZ3  TRP   5           HZ3      TRP   5  10.693  -0.770   6.388
   36    HH2  TRP   5           HH2      TRP   5  10.901   1.689   6.644
   37    H    HIS   6           H        HIS   6   8.273  -0.662   2.713
   38    HA   HIS   6           HA       HIS   6   9.831  -3.062   2.636
   39   1HB   HIS   6          1HB       HIS   6   9.163  -1.873   0.131
   40   2HB   HIS   6          2HB       HIS   6  10.860  -1.518   0.437
   41    HD1  HIS   6           HD1      HIS   6  11.620  -3.237  -1.384
   42    HD2  HIS   6           HD2      HIS   6   9.433  -4.925   1.737
   43    HE1  HIS   6           HE1      HIS   6  11.910  -5.746  -1.581
   44    H    ARG   7           H        ARG   7  10.168   0.322   1.628
   45    HA   ARG   7           HA       ARG   7  11.323   1.395   3.889
   46   1HB   ARG   7          1HB       ARG   7  13.226  -0.260   2.373
   47   2HB   ARG   7          2HB       ARG   7  13.790   1.387   2.654
   48   1HG   ARG   7          1HG       ARG   7  12.527   0.142   5.010
   49   2HG   ARG   7          2HG       ARG   7  13.998  -0.669   4.472
   50   1HD   ARG   7          1HD       ARG   7  14.772   1.938   4.298
   51   2HD   ARG   7          2HD       ARG   7  13.646   2.024   5.649
   52    HE   ARG   7           HE       ARG   7  15.220   0.923   6.927
   53   1HH1  ARG   7          1HH1      ARG   7  15.874   0.303   3.546
   54   2HH1  ARG   7          2HH1      ARG   7  17.331  -0.571   3.871
   55   1HH2  ARG   7          1HH2      ARG   7  17.124  -0.223   7.309
   56   2HH2  ARG   7          2HH2      ARG   7  18.034  -0.867   5.983
   57    HA   PRO   8           HA       PRO   8  11.075   4.795   1.048
   58   1HB   PRO   8          1HB       PRO   8  12.071   6.766   2.643
   59   2HB   PRO   8          2HB       PRO   8  10.479   6.026   2.862
   60   1HG   PRO   8          1HG       PRO   8  12.913   5.725   4.496
   61   2HG   PRO   8          2HG       PRO   8  11.222   5.445   4.935
   62   1HD   PRO   8          1HD       PRO   8  13.195   3.475   4.226
   63   2HD   PRO   8          2HD       PRO   8  11.480   3.207   4.610
   64    H    ASP   9           H        ASP   9  13.346   3.245   0.491
   65    HA   ASP   9           HA       ASP   9  15.393   3.321  -0.560
   66   1HB   ASP   9          1HB       ASP   9  13.988   5.180  -1.776
   67   2HB   ASP   9          2HB       ASP   9  15.091   6.276  -0.943
   68    H    LYS  10           H        LYS  10  16.605   2.890   1.312
   69    HA   LYS  10           HA       LYS  10  17.742   5.231   2.704
   70   1HB   LYS  10          1HB       LYS  10  16.681   3.024   3.818
   71   2HB   LYS  10          2HB       LYS  10  18.347   2.475   3.638
   72   1HG   LYS  10          1HG       LYS  10  17.722   5.174   4.830
   73   2HG   LYS  10          2HG       LYS  10  17.722   3.716   5.825
   74   1HD   LYS  10          1HD       LYS  10  20.056   3.271   4.746
   75   2HD   LYS  10          2HD       LYS  10  20.015   4.989   4.347
   76   1HE   LYS  10          1HE       LYS  10  21.124   4.736   6.491
   77   2HE   LYS  10          2HE       LYS  10  19.546   5.477   6.766
   78   1HZ   LYS  10          1HZ       LYS  10  19.856   2.549   6.878
   79   2HZ   LYS  10          2HZ       LYS  10  20.268   3.503   8.222
   80   3HZ   LYS  10          3HZ       LYS  10  18.682   3.528   7.613

  No H/Q in entry =          80
  Start of MODEL   23
    1    H1   LEU   1           H1       LEU   1  -0.054  -9.187   3.475
    2    H2   LEU   1           H2       LEU   1   1.240  -9.294   4.571
    3    H3   LEU   1           H3       LEU   1   0.636 -10.697   3.826
    4    HA   LEU   1           HA       LEU   1  -1.263 -10.748   5.101
    5   1HB   LEU   1          1HB       LEU   1   1.217  -9.982   6.519
    6   2HB   LEU   1          2HB       LEU   1  -0.256  -9.769   7.461
    7    HG   LEU   1           HG       LEU   1   0.691 -12.021   7.796
    8   1HD1  LEU   1          1HD1      LEU   1  -1.891 -11.447   7.500
    9   2HD1  LEU   1          2HD1      LEU   1  -1.729 -12.527   6.115
   10   3HD1  LEU   1          3HD1      LEU   1  -1.347 -13.108   7.736
   11   1HD2  LEU   1          1HD2      LEU   1   1.518 -11.943   5.251
   12   2HD2  LEU   1          2HD2      LEU   1   1.224 -13.472   6.082
   13   3HD2  LEU   1          3HD2      LEU   1   0.002 -12.807   4.998
   14    H    GLY   2           H        GLY   2   0.339  -7.616   5.706
   15   1HA   GLY   2          1HA       GLY   2  -1.320  -6.046   6.980
   16   2HA   GLY   2          2HA       GLY   2  -2.279  -6.285   5.522
   17    H    ALA   3           H        ALA   3  -1.857  -5.059   3.768
   18    HA   ALA   3           HA       ALA   3  -0.942  -3.400   2.461
   19   1HB   ALA   3          1HB       ALA   3   0.733  -2.356   4.687
   20   2HB   ALA   3          2HB       ALA   3  -1.015  -2.335   4.918
   21   3HB   ALA   3          3HB       ALA   3  -0.297  -1.489   3.547
   22    H    SER   4           H        SER   4   1.070  -2.652   1.477
   23    HA   SER   4           HA       SER   4   3.268  -4.590   1.892
   24   1HB   SER   4          1HB       SER   4   3.772  -3.749  -0.590
   25   2HB   SER   4          2HB       SER   4   2.673  -5.087  -0.267
   26    HG   SER   4           HG       SER   4   1.787  -3.460  -1.658
   27    H    TRP   5           H        TRP   5   5.093  -3.794   2.604
   28    HA   TRP   5           HA       TRP   5   5.845  -1.047   1.911
   29   1HB   TRP   5          1HB       TRP   5   4.768  -1.587   4.354
   30   2HB   TRP   5          2HB       TRP   5   6.481  -1.851   4.683
   31    HD1  TRP   5           HD1      TRP   5   4.313   0.769   2.878
   32    HE1  TRP   5           HE1      TRP   5   5.309   3.111   3.361
   33    HE3  TRP   5           HE3      TRP   5   8.351  -0.574   5.658
   34    HZ2  TRP   5           HZ2      TRP   5   7.555   4.245   4.761
   35    HZ3  TRP   5           HZ3      TRP   5   9.899   1.132   6.562
   36    HH2  TRP   5           HH2      TRP   5   9.509   3.540   6.115
   37    H    HIS   6           H        HIS   6   8.015  -0.636   1.857
   38    HA   HIS   6           HA       HIS   6   9.820  -2.950   2.207
   39   1HB   HIS   6          1HB       HIS   6   9.463  -1.091  -0.079
   40   2HB   HIS   6          2HB       HIS   6  11.128  -1.450   0.368
   41    HD1  HIS   6           HD1      HIS   6  12.044  -3.701  -0.312
   42    HD2  HIS   6           HD2      HIS   6   7.897  -3.511  -0.692
   43    HE1  HIS   6           HE1      HIS   6  11.332  -5.841  -1.464
   44    H    ARG   7           H        ARG   7  10.036   0.517   1.568
   45    HA   ARG   7           HA       ARG   7  10.652   1.796   3.770
   46   1HB   ARG   7          1HB       ARG   7  12.929  -0.066   3.303
   47   2HB   ARG   7          2HB       ARG   7  13.329   1.593   3.756
   48   1HG   ARG   7          1HG       ARG   7  12.398   1.402   5.849
   49   2HG   ARG   7          2HG       ARG   7  11.177   0.244   5.315
   50   1HD   ARG   7          1HD       ARG   7  12.891  -0.797   6.790
   51   2HD   ARG   7          2HD       ARG   7  12.844  -1.523   5.187
   52    HE   ARG   7           HE       ARG   7  14.761   0.569   5.230
   53   1HH1  ARG   7          1HH1      ARG   7  14.236  -2.676   6.434
   54   2HH1  ARG   7          2HH1      ARG   7  15.925  -3.050   6.487
   55   1HH2  ARG   7          1HH2      ARG   7  16.951   0.040   5.315
   56   2HH2  ARG   7          2HH2      ARG   7  17.449  -1.527   5.861
   57    HA   PRO   8           HA       PRO   8  11.864   4.570   0.489
   58   1HB   PRO   8          1HB       PRO   8  12.008   6.863   1.955
   59   2HB   PRO   8          2HB       PRO   8  10.488   6.078   1.498
   60   1HG   PRO   8          1HG       PRO   8  11.772   6.247   4.143
   61   2HG   PRO   8          2HG       PRO   8  10.081   5.927   3.734
   62   1HD   PRO   8          1HD       PRO   8  12.099   4.011   4.478
   63   2HD   PRO   8          2HD       PRO   8  10.412   3.694   4.033
   64    H    ASP   9           H        ASP   9  14.021   3.095   1.250
   65    HA   ASP   9           HA       ASP   9  16.175   4.878   2.097
   66   1HB   ASP   9          1HB       ASP   9  17.589   2.821   1.904
   67   2HB   ASP   9          2HB       ASP   9  16.230   2.640   3.014
   68    H    LYS  10           H        LYS  10  18.215   4.889   0.851
   69    HA   LYS  10           HA       LYS  10  17.648   5.025  -2.049
   70   1HB   LYS  10          1HB       LYS  10  19.641   6.559  -0.362
   71   2HB   LYS  10          2HB       LYS  10  19.561   6.637  -2.123
   72   1HG   LYS  10          1HG       LYS  10  17.648   7.888  -2.117
   73   2HG   LYS  10          2HG       LYS  10  16.990   7.062  -0.705
   74   1HD   LYS  10          1HD       LYS  10  17.503   9.358  -0.089
   75   2HD   LYS  10          2HD       LYS  10  18.649   8.289   0.720
   76   1HE   LYS  10          1HE       LYS  10  19.780  10.252  -0.294
   77   2HE   LYS  10          2HE       LYS  10  20.325   8.738  -1.015
   78   1HZ   LYS  10          1HZ       LYS  10  18.103  10.296  -2.182
   79   2HZ   LYS  10          2HZ       LYS  10  19.723  10.626  -2.579
   80   3HZ   LYS  10          3HZ       LYS  10  19.054   9.101  -2.918

  No H/Q in entry =          80
  Start of MODEL   24
    1    H1   LEU   1           H1       LEU   1  -4.197  -3.163  -6.574
    2    H2   LEU   1           H2       LEU   1  -3.665  -1.676  -5.947
    3    H3   LEU   1           H3       LEU   1  -3.928  -1.852  -7.616
    4    HA   LEU   1           HA       LEU   1  -2.068  -3.219  -7.902
    5   1HB   LEU   1          1HB       LEU   1  -1.810  -0.655  -7.108
    6   2HB   LEU   1          2HB       LEU   1  -0.912  -1.443  -5.811
    7    HG   LEU   1           HG       LEU   1  -0.353  -2.353  -8.595
    8   1HD1  LEU   1          1HD1      LEU   1  -0.452   0.317  -8.290
    9   2HD1  LEU   1          2HD1      LEU   1   1.161   0.029  -7.640
   10   3HD1  LEU   1          3HD1      LEU   1   0.772  -0.471  -9.286
   11   1HD2  LEU   1          1HD2      LEU   1   0.695  -3.202  -6.400
   12   2HD2  LEU   1          2HD2      LEU   1   1.811  -2.767  -7.696
   13   3HD2  LEU   1          3HD2      LEU   1   1.549  -1.659  -6.349
   14    H    GLY   2           H        GLY   2  -2.687  -2.618  -4.454
   15   1HA   GLY   2          1HA       GLY   2  -2.280  -5.331  -3.709
   16   2HA   GLY   2          2HA       GLY   2  -2.407  -3.965  -2.602
   17    H    ALA   3           H        ALA   3  -0.301  -2.412  -3.192
   18    HA   ALA   3           HA       ALA   3   2.136  -3.973  -3.418
   19   1HB   ALA   3          1HB       ALA   3   3.252  -1.761  -3.043
   20   2HB   ALA   3          2HB       ALA   3   2.142  -1.770  -4.413
   21   3HB   ALA   3          3HB       ALA   3   1.654  -1.033  -2.886
   22    H    SER   4           H        SER   4   3.906  -3.116  -1.732
   23    HA   SER   4           HA       SER   4   2.822  -3.152   0.998
   24   1HB   SER   4          1HB       SER   4   3.204  -5.505   0.576
   25   2HB   SER   4          2HB       SER   4   4.803  -5.170  -0.085
   26    HG   SER   4           HG       SER   4   5.097  -5.758   2.022
   27    H    TRP   5           H        TRP   5   4.470  -2.716   2.608
   28    HA   TRP   5           HA       TRP   5   6.263  -0.640   1.630
   29   1HB   TRP   5          1HB       TRP   5   4.649  -0.615   3.738
   30   2HB   TRP   5          2HB       TRP   5   6.056  -1.334   4.520
   31    HD1  TRP   5           HD1      TRP   5   5.133   1.739   2.388
   32    HE1  TRP   5           HE1      TRP   5   6.737   3.667   3.027
   33    HE3  TRP   5           HE3      TRP   5   8.175  -0.710   5.654
   34    HZ2  TRP   5           HZ2      TRP   5   9.022   4.092   4.716
   35    HZ3  TRP   5           HZ3      TRP   5  10.044   0.460   6.767
   36    HH2  TRP   5           HH2      TRP   5  10.477   2.859   6.304
   37    H    HIS   6           H        HIS   6   8.403  -0.739   1.606
   38    HA   HIS   6           HA       HIS   6   9.729  -3.089   2.809
   39   1HB   HIS   6          1HB       HIS   6   9.906  -1.944   0.072
   40   2HB   HIS   6          2HB       HIS   6  11.417  -2.467   0.808
   41    HD1  HIS   6           HD1      HIS   6  10.261  -4.024  -1.591
   42    HD2  HIS   6           HD2      HIS   6   9.496  -5.021   2.385
   43    HE1  HIS   6           HE1      HIS   6   9.603  -6.469  -1.578
   44    H    ARG   7           H        ARG   7  10.121   0.235   1.665
   45    HA   ARG   7           HA       ARG   7  11.310   1.289   3.938
   46   1HB   ARG   7          1HB       ARG   7  13.186  -0.270   2.317
   47   2HB   ARG   7          2HB       ARG   7  13.704   1.403   2.518
   48   1HG   ARG   7          1HG       ARG   7  13.914   1.210   4.809
   49   2HG   ARG   7          2HG       ARG   7  12.680  -0.045   4.922
   50   1HD   ARG   7          1HD       ARG   7  14.609  -1.294   5.273
   51   2HD   ARG   7          2HD       ARG   7  14.407  -1.462   3.532
   52    HE   ARG   7           HE       ARG   7  16.348  -0.223   3.240
   53   1HH1  ARG   7          1HH1      ARG   7  15.182   0.183   6.515
   54   2HH1  ARG   7          2HH1      ARG   7  16.586   1.052   7.029
   55   1HH2  ARG   7          1HH2      ARG   7  18.163   0.914   3.951
   56   2HH2  ARG   7          2HH2      ARG   7  18.261   1.462   5.591
   57    HA   PRO   8           HA       PRO   8  10.855   4.841   1.353
   58   1HB   PRO   8          1HB       PRO   8  12.339   6.679   2.717
   59   2HB   PRO   8          2HB       PRO   8  10.773   6.064   3.267
   60   1HG   PRO   8          1HG       PRO   8  13.483   5.475   4.295
   61   2HG   PRO   8          2HG       PRO   8  11.922   5.400   5.125
   62   1HD   PRO   8          1HD       PRO   8  13.395   3.201   4.072
   63   2HD   PRO   8          2HD       PRO   8  11.738   3.164   4.714
   64    H    ASP   9           H        ASP   9  12.582   3.256   0.067
   65    HA   ASP   9           HA       ASP   9  14.757   5.070  -0.789
   66   1HB   ASP   9          1HB       ASP   9  16.055   3.017  -1.386
   67   2HB   ASP   9          2HB       ASP   9  15.781   3.194   0.348
   68    H    LYS  10           H        LYS  10  15.157   5.204  -2.987
   69    HA   LYS  10           HA       LYS  10  14.642   5.207  -5.228
   70   1HB   LYS  10          1HB       LYS  10  14.970   2.663  -4.738
   71   2HB   LYS  10          2HB       LYS  10  13.215   2.586  -4.895
   72   1HG   LYS  10          1HG       LYS  10  13.647   3.977  -7.093
   73   2HG   LYS  10          2HG       LYS  10  15.271   3.301  -6.963
   74   1HD   LYS  10          1HD       LYS  10  13.151   1.305  -6.536
   75   2HD   LYS  10          2HD       LYS  10  13.100   2.040  -8.137
   76   1HE   LYS  10          1HE       LYS  10  15.519   1.522  -8.423
   77   2HE   LYS  10          2HE       LYS  10  15.508   0.714  -6.855
   78   1HZ   LYS  10          1HZ       LYS  10  13.711  -0.729  -7.742
   79   2HZ   LYS  10          2HZ       LYS  10  13.957  -0.032  -9.272
   80   3HZ   LYS  10          3HZ       LYS  10  15.199  -0.924  -8.532

  No H/Q in entry =          80
  Start of MODEL   25
    1    H1   LEU   1           H1       LEU   1  -3.166   2.051  -2.307
    2    H2   LEU   1           H2       LEU   1  -3.627   3.675  -2.115
    3    H3   LEU   1           H3       LEU   1  -4.649   2.595  -2.932
    4    HA   LEU   1           HA       LEU   1  -3.269   2.472  -4.791
    5   1HB   LEU   1          1HB       LEU   1  -3.726   5.169  -3.623
    6   2HB   LEU   1          2HB       LEU   1  -2.604   5.085  -4.981
    7    HG   LEU   1           HG       LEU   1  -5.154   3.567  -5.244
    8   1HD1  LEU   1          1HD1      LEU   1  -4.932   6.574  -5.173
    9   2HD1  LEU   1          2HD1      LEU   1  -6.155   5.776  -6.161
   10   3HD1  LEU   1          3HD1      LEU   1  -6.143   5.544  -4.412
   11   1HD2  LEU   1          1HD2      LEU   1  -3.153   3.869  -6.919
   12   2HD2  LEU   1          2HD2      LEU   1  -4.806   3.953  -7.528
   13   3HD2  LEU   1          3HD2      LEU   1  -3.897   5.436  -7.240
   14    H    GLY   2           H        GLY   2  -1.399   1.292  -4.540
   15   1HA   GLY   2          1HA       GLY   2   0.898   2.371  -3.142
   16   2HA   GLY   2          2HA       GLY   2   1.061   2.368  -4.895
   17    H    ALA   3           H        ALA   3   1.535   0.609  -2.098
   18    HA   ALA   3           HA       ALA   3   1.034  -2.050  -2.887
   19   1HB   ALA   3          1HB       ALA   3   3.040  -0.999  -4.441
   20   2HB   ALA   3          2HB       ALA   3   3.953  -1.739  -3.125
   21   3HB   ALA   3          3HB       ALA   3   2.839  -2.714  -4.084
   22    H    SER   4           H        SER   4   3.222  -3.358  -1.770
   23    HA   SER   4           HA       SER   4   2.796  -2.848   1.022
   24   1HB   SER   4          1HB       SER   4   4.279  -4.906  -0.571
   25   2HB   SER   4          2HB       SER   4   4.687  -4.690   1.128
   26    HG   SER   4           HG       SER   4   2.121  -5.226   0.028
   27    H    TRP   5           H        TRP   5   4.462  -2.451   2.519
   28    HA   TRP   5           HA       TRP   5   6.418  -0.567   1.453
   29   1HB   TRP   5          1HB       TRP   5   4.744  -0.205   3.451
   30   2HB   TRP   5          2HB       TRP   5   6.018  -1.010   4.370
   31    HD1  TRP   5           HD1      TRP   5   5.558   1.939   1.954
   32    HE1  TRP   5           HE1      TRP   5   7.337   3.735   2.520
   33    HE3  TRP   5           HE3      TRP   5   8.138  -0.520   5.582
   34    HZ2  TRP   5           HZ2      TRP   5   9.576   4.057   4.300
   35    HZ3  TRP   5           HZ3      TRP   5  10.072   0.531   6.700
   36    HH2  TRP   5           HH2      TRP   5  10.800   2.816   6.066
   37    H    HIS   6           H        HIS   6   8.541  -0.739   1.667
   38    HA   HIS   6           HA       HIS   6   9.669  -3.062   3.092
   39   1HB   HIS   6          1HB       HIS   6   9.922  -2.318   0.238
   40   2HB   HIS   6          2HB       HIS   6  11.433  -2.724   1.045
   41    HD1  HIS   6           HD1      HIS   6  11.150  -5.065   2.600
   42    HD2  HIS   6           HD2      HIS   6   8.649  -4.570  -0.697
   43    HE1  HIS   6           HE1      HIS   6  10.265  -7.366   2.020
   44    H    ARG   7           H        ARG   7  10.260   0.094   1.613
   45    HA   ARG   7           HA       ARG   7  11.665   1.100   3.868
   46   1HB   ARG   7          1HB       ARG   7  13.227  -0.320   1.867
   47   2HB   ARG   7          2HB       ARG   7  13.723   1.369   1.970
   48   1HG   ARG   7          1HG       ARG   7  14.203   1.201   4.285
   49   2HG   ARG   7          2HG       ARG   7  13.338  -0.330   4.433
   50   1HD   ARG   7          1HD       ARG   7  15.522  -1.100   4.335
   51   2HD   ARG   7          2HD       ARG   7  15.093  -1.133   2.628
   52    HE   ARG   7           HE       ARG   7  16.718   0.469   2.288
   53   1HH1  ARG   7          1HH1      ARG   7  15.656   0.630   5.620
   54   2HH1  ARG   7          2HH1      ARG   7  16.794   1.864   6.041
   55   1HH2  ARG   7          1HH2      ARG   7  18.182   2.079   2.879
   56   2HH2  ARG   7          2HH2      ARG   7  18.211   2.680   4.503
   57    HA   PRO   8           HA       PRO   8  10.634   4.807   1.699
   58   1HB   PRO   8          1HB       PRO   8  12.362   6.593   2.823
   59   2HB   PRO   8          2HB       PRO   8  10.960   5.907   3.659
   60   1HG   PRO   8          1HG       PRO   8  13.837   5.313   4.026
   61   2HG   PRO   8          2HG       PRO   8  12.499   5.162   5.174
   62   1HD   PRO   8          1HD       PRO   8  13.712   3.052   3.704
   63   2HD   PRO   8          2HD       PRO   8  12.222   2.955   4.670
   64    H    ASP   9           H        ASP   9  12.040   3.360  -0.042
   65    HA   ASP   9           HA       ASP   9  14.441   4.668  -0.964
   66   1HB   ASP   9          1HB       ASP   9  13.954   2.217  -1.292
   67   2HB   ASP   9          2HB       ASP   9  12.721   2.684  -2.464
   68    H    LYS  10           H        LYS  10  14.685   5.806  -2.929
   69    HA   LYS  10           HA       LYS  10  12.190   7.081  -3.891
   70   1HB   LYS  10          1HB       LYS  10  14.990   8.214  -3.692
   71   2HB   LYS  10          2HB       LYS  10  13.647   9.021  -4.503
   72   1HG   LYS  10          1HG       LYS  10  12.510   9.428  -2.521
   73   2HG   LYS  10          2HG       LYS  10  13.259   8.064  -1.691
   74   1HD   LYS  10          1HD       LYS  10  15.176   9.245  -1.179
   75   2HD   LYS  10          2HD       LYS  10  15.038  10.286  -2.597
   76   1HE   LYS  10          1HE       LYS  10  14.492  11.724  -0.809
   77   2HE   LYS  10          2HE       LYS  10  12.919  11.230  -1.433
   78   1HZ   LYS  10          1HZ       LYS  10  12.999   9.403   0.262
   79   2HZ   LYS  10          2HZ       LYS  10  14.335  10.193   0.951
   80   3HZ   LYS  10          3HZ       LYS  10  12.830  10.972   0.891

  No H/Q in entry =          80
  Start of MODEL   26
    1    H1   LEU   1           H1       LEU   1  -2.036   3.688  -1.961
    2    H2   LEU   1           H2       LEU   1  -3.604   3.253  -2.437
    3    H3   LEU   1           H3       LEU   1  -2.646   2.153  -1.567
    4    HA   LEU   1           HA       LEU   1  -2.610   1.443  -3.808
    5   1HB   LEU   1          1HB       LEU   1  -1.865   3.016  -5.598
    6   2HB   LEU   1          2HB       LEU   1  -3.378   3.520  -4.846
    7    HG   LEU   1           HG       LEU   1  -0.903   4.554  -3.573
    8   1HD1  LEU   1          1HD1      LEU   1  -1.725   5.207  -6.394
    9   2HD1  LEU   1          2HD1      LEU   1  -0.982   6.444  -5.379
   10   3HD1  LEU   1          3HD1      LEU   1  -0.105   4.956  -5.742
   11   1HD2  LEU   1          1HD2      LEU   1  -3.548   5.050  -3.290
   12   2HD2  LEU   1          2HD2      LEU   1  -2.309   6.255  -2.935
   13   3HD2  LEU   1          3HD2      LEU   1  -3.148   6.283  -4.487
   14    H    GLY   2           H        GLY   2  -0.967   1.065  -1.716
   15   1HA   GLY   2          1HA       GLY   2   1.266   0.941  -0.995
   16   2HA   GLY   2          2HA       GLY   2   1.757   1.832  -2.432
   17    H    ALA   3           H        ALA   3   3.125  -0.408  -1.558
   18    HA   ALA   3           HA       ALA   3   2.282  -2.670  -3.214
   19   1HB   ALA   3          1HB       ALA   3   4.631  -0.904  -3.782
   20   2HB   ALA   3          2HB       ALA   3   3.522  -1.688  -4.909
   21   3HB   ALA   3          3HB       ALA   3   4.769  -2.634  -4.094
   22    H    SER   4           H        SER   4   2.322  -2.594  -0.503
   23    HA   SER   4           HA       SER   4   3.111  -3.696   1.345
   24   1HB   SER   4          1HB       SER   4   4.542  -5.249  -0.818
   25   2HB   SER   4          2HB       SER   4   4.691  -5.647   0.890
   26    HG   SER   4           HG       SER   4   2.970  -6.800   0.344
   27    H    TRP   5           H        TRP   5   4.099  -2.092   2.338
   28    HA   TRP   5           HA       TRP   5   6.268  -0.613   1.839
   29   1HB   TRP   5          1HB       TRP   5   4.725  -0.991   4.044
   30   2HB   TRP   5          2HB       TRP   5   6.271  -1.619   4.616
   31    HD1  TRP   5           HD1      TRP   5   4.873   1.490   2.832
   32    HE1  TRP   5           HE1      TRP   5   6.299   3.534   3.550
   33    HE3  TRP   5           HE3      TRP   5   8.346  -0.852   5.721
   34    HZ2  TRP   5           HZ2      TRP   5   8.632   4.073   5.153
   35    HZ3  TRP   5           HZ3      TRP   5  10.149   0.424   6.830
   36    HH2  TRP   5           HH2      TRP   5  10.298   2.883   6.553
   37    H    HIS   6           H        HIS   6   8.381  -0.670   1.842
   38    HA   HIS   6           HA       HIS   6   9.794  -3.111   2.699
   39   1HB   HIS   6          1HB       HIS   6   9.685  -1.921   0.012
   40   2HB   HIS   6          2HB       HIS   6  11.329  -2.149   0.605
   41    HD1  HIS   6           HD1      HIS   6  11.490  -4.081  -1.260
   42    HD2  HIS   6           HD2      HIS   6   8.855  -4.831   1.882
   43    HE1  HIS   6           HE1      HIS   6  10.992  -6.565  -1.319
   44    H    ARG   7           H        ARG   7  10.084   0.270   1.694
   45    HA   ARG   7           HA       ARG   7  11.153   1.389   3.927
   46   1HB   ARG   7          1HB       ARG   7  13.187  -0.257   2.589
   47   2HB   ARG   7          2HB       ARG   7  13.690   1.419   2.810
   48   1HG   ARG   7          1HG       ARG   7  13.553   1.302   5.128
   49   2HG   ARG   7          2HG       ARG   7  12.381  -0.014   5.096
   50   1HD   ARG   7          1HD       ARG   7  14.112  -1.402   5.499
   51   2HD   ARG   7          2HD       ARG   7  14.622  -1.100   3.842
   52    HE   ARG   7           HE       ARG   7  15.566   0.936   5.627
   53   1HH1  ARG   7          1HH1      ARG   7  16.156  -2.335   4.528
   54   2HH1  ARG   7          2HH1      ARG   7  17.843  -2.280   4.908
   55   1HH2  ARG   7          1HH2      ARG   7  17.772   0.966   6.108
   56   2HH2  ARG   7          2HH2      ARG   7  18.752  -0.428   5.794
   57    HA   PRO   8           HA       PRO   8  10.963   4.765   1.083
   58   1HB   PRO   8          1HB       PRO   8  12.084   6.735   2.602
   59   2HB   PRO   8          2HB       PRO   8  10.470   6.061   2.884
   60   1HG   PRO   8          1HG       PRO   8  12.959   5.668   4.429
   61   2HG   PRO   8          2HG       PRO   8  11.274   5.527   4.952
   62   1HD   PRO   8          1HD       PRO   8  13.043   3.390   4.290
   63   2HD   PRO   8          2HD       PRO   8  11.305   3.269   4.632
   64    H    ASP   9           H        ASP   9  12.967   3.222   0.226
   65    HA   ASP   9           HA       ASP   9  14.911   5.144  -0.759
   66   1HB   ASP   9          1HB       ASP   9  15.862   4.180   1.406
   67   2HB   ASP   9          2HB       ASP   9  15.949   2.634   0.560
   68    H    LYS  10           H        LYS  10  13.664   4.605  -2.665
   69    HA   LYS  10           HA       LYS  10  13.390   3.539  -4.683
   70   1HB   LYS  10          1HB       LYS  10  16.025   2.457  -3.746
   71   2HB   LYS  10          2HB       LYS  10  15.264   1.772  -5.182
   72   1HG   LYS  10          1HG       LYS  10  15.222   3.911  -6.280
   73   2HG   LYS  10          2HG       LYS  10  15.710   4.742  -4.803
   74   1HD   LYS  10          1HD       LYS  10  17.871   3.535  -4.846
   75   2HD   LYS  10          2HD       LYS  10  17.385   2.737  -6.342
   76   1HE   LYS  10          1HE       LYS  10  16.971   5.226  -7.152
   77   2HE   LYS  10          2HE       LYS  10  18.133   5.599  -5.880
   78   1HZ   LYS  10          1HZ       LYS  10  19.664   4.003  -6.872
   79   2HZ   LYS  10          2HZ       LYS  10  18.548   3.687  -8.113
   80   3HZ   LYS  10          3HZ       LYS  10  19.250   5.225  -7.978

  No H/Q in entry =          80
  Start of MODEL   27
    1    H1   LEU   1           H1       LEU   1   6.741  -7.251  -4.125
    2    H2   LEU   1           H2       LEU   1   6.333  -7.026  -2.490
    3    H3   LEU   1           H3       LEU   1   7.156  -8.429  -2.972
    4    HA   LEU   1           HA       LEU   1   5.311  -9.365  -3.959
    5   1HB   LEU   1          1HB       LEU   1   5.111  -9.123  -1.455
    6   2HB   LEU   1          2HB       LEU   1   4.132  -7.681  -1.729
    7    HG   LEU   1           HG       LEU   1   3.313 -10.097  -3.248
    8   1HD1  LEU   1          1HD1      LEU   1   3.180  -9.894  -0.236
    9   2HD1  LEU   1          2HD1      LEU   1   2.025 -10.860  -1.155
   10   3HD1  LEU   1          3HD1      LEU   1   3.745 -11.248  -1.215
   11   1HD2  LEU   1          1HD2      LEU   1   2.223  -7.691  -2.951
   12   2HD2  LEU   1          2HD2      LEU   1   1.208  -9.128  -3.075
   13   3HD2  LEU   1          3HD2      LEU   1   1.549  -8.423  -1.494
   14    H    GLY   2           H        GLY   2   4.542  -5.974  -3.170
   15   1HA   GLY   2          1HA       GLY   2   2.287  -5.746  -4.854
   16   2HA   GLY   2          2HA       GLY   2   3.717  -5.240  -5.750
   17    H    ALA   3           H        ALA   3   1.505  -4.485  -3.189
   18    HA   ALA   3           HA       ALA   3   2.669  -1.779  -3.024
   19   1HB   ALA   3          1HB       ALA   3  -0.111  -2.834  -2.516
   20   2HB   ALA   3          2HB       ALA   3   0.401  -1.638  -3.707
   21   3HB   ALA   3          3HB       ALA   3   0.397  -1.229  -1.991
   22    H    SER   4           H        SER   4   3.904  -3.852  -1.581
   23    HA   SER   4           HA       SER   4   3.069  -3.317   1.196
   24   1HB   SER   4          1HB       SER   4   3.349  -5.741   0.295
   25   2HB   SER   4          2HB       SER   4   5.076  -5.414   0.388
   26    HG   SER   4           HG       SER   4   4.287  -6.319   2.326
   27    H    TRP   5           H        TRP   5   4.246  -2.139   2.448
   28    HA   TRP   5           HA       TRP   5   6.393  -0.625   1.473
   29   1HB   TRP   5          1HB       TRP   5   4.741  -0.282   3.517
   30   2HB   TRP   5          2HB       TRP   5   6.084  -1.005   4.407
   31    HD1  TRP   5           HD1      TRP   5   5.493   1.787   1.828
   32    HE1  TRP   5           HE1      TRP   5   7.193   3.688   2.297
   33    HE3  TRP   5           HE3      TRP   5   8.108  -0.319   5.648
   34    HZ2  TRP   5           HZ2      TRP   5   9.393   4.213   4.083
   35    HZ3  TRP   5           HZ3      TRP   5   9.985   0.880   6.721
   36    HH2  TRP   5           HH2      TRP   5  10.631   3.145   5.946
   37    H    HIS   6           H        HIS   6   8.491  -0.817   1.525
   38    HA   HIS   6           HA       HIS   6   9.709  -3.095   2.959
   39   1HB   HIS   6          1HB       HIS   6   9.999  -2.178   0.147
   40   2HB   HIS   6          2HB       HIS   6  11.477  -2.668   0.970
   41    HD1  HIS   6           HD1      HIS   6  11.046  -5.088   2.404
   42    HD2  HIS   6           HD2      HIS   6   8.766  -4.350  -1.008
   43    HE1  HIS   6           HE1      HIS   6  10.142  -7.329   1.648
   44    H    ARG   7           H        ARG   7  10.169   0.158   1.646
   45    HA   ARG   7           HA       ARG   7  11.447   1.178   3.930
   46   1HB   ARG   7          1HB       ARG   7  13.182  -0.243   2.059
   47   2HB   ARG   7          2HB       ARG   7  13.680   1.433   2.285
   48   1HG   ARG   7          1HG       ARG   7  14.197   1.131   4.488
   49   2HG   ARG   7          2HG       ARG   7  12.911  -0.050   4.738
   50   1HD   ARG   7          1HD       ARG   7  14.930  -1.036   2.878
   51   2HD   ARG   7          2HD       ARG   7  15.628  -0.612   4.438
   52    HE   ARG   7           HE       ARG   7  13.825  -2.799   3.893
   53   1HH1  ARG   7          1HH1      ARG   7  15.006  -0.590   6.338
   54   2HH1  ARG   7          2HH1      ARG   7  14.606  -1.646   7.648
   55   1HH2  ARG   7          1HH2      ARG   7  13.323  -4.147   5.630
   56   2HH2  ARG   7          2HH2      ARG   7  13.662  -3.645   7.253
   57    HA   PRO   8           HA       PRO   8  10.744   4.895   1.665
   58   1HB   PRO   8          1HB       PRO   8  12.574   6.600   2.759
   59   2HB   PRO   8          2HB       PRO   8  11.126   6.024   3.601
   60   1HG   PRO   8          1HG       PRO   8  13.959   5.253   3.997
   61   2HG   PRO   8          2HG       PRO   8  12.613   5.231   5.146
   62   1HD   PRO   8          1HD       PRO   8  13.675   2.991   3.761
   63   2HD   PRO   8          2HD       PRO   8  12.168   3.038   4.701
   64    H    ASP   9           H        ASP   9  12.095   3.297  -0.005
   65    HA   ASP   9           HA       ASP   9  13.592   3.114  -1.742
   66   1HB   ASP   9          1HB       ASP   9  13.583   5.013  -3.249
   67   2HB   ASP   9          2HB       ASP   9  11.982   4.821  -2.546
   68    H    LYS  10           H        LYS  10  15.480   4.672  -2.884
   69    HA   LYS  10           HA       LYS  10  17.401   5.216  -0.703
   70   1HB   LYS  10          1HB       LYS  10  17.591   3.093  -2.428
   71   2HB   LYS  10          2HB       LYS  10  18.543   4.314  -3.270
   72   1HG   LYS  10          1HG       LYS  10  20.152   4.391  -1.630
   73   2HG   LYS  10          2HG       LYS  10  19.004   4.036  -0.339
   74   1HD   LYS  10          1HD       LYS  10  19.785   1.973  -2.406
   75   2HD   LYS  10          2HD       LYS  10  20.683   2.183  -0.902
   76   1HE   LYS  10          1HE       LYS  10  18.773   1.624   0.425
   77   2HE   LYS  10          2HE       LYS  10  17.690   1.744  -0.962
   78   1HZ   LYS  10          1HZ       LYS  10  19.924  -0.178  -0.965
   79   2HZ   LYS  10          2HZ       LYS  10  18.457  -0.564  -0.199
   80   3HZ   LYS  10          3HZ       LYS  10  18.486  -0.214  -1.862

  No H/Q in entry =          80
  Start of MODEL   28
    1    H1   LEU   1           H1       LEU   1   2.412  -5.317  -8.819
    2    H2   LEU   1           H2       LEU   1   1.223  -6.300  -9.524
    3    H3   LEU   1           H3       LEU   1   1.954  -5.067 -10.436
    4    HA   LEU   1           HA       LEU   1   0.924  -3.373  -9.161
    5   1HB   LEU   1          1HB       LEU   1  -0.421  -5.000 -10.849
    6   2HB   LEU   1          2HB       LEU   1  -1.371  -5.252  -9.383
    7    HG   LEU   1           HG       LEU   1  -1.222  -2.604  -9.238
    8   1HD1  LEU   1          1HD1      LEU   1  -0.502  -3.300 -12.059
    9   2HD1  LEU   1          2HD1      LEU   1  -1.554  -1.911 -11.786
   10   3HD1  LEU   1          3HD1      LEU   1   0.052  -1.956 -11.060
   11   1HD2  LEU   1          1HD2      LEU   1  -3.208  -4.292  -9.701
   12   2HD2  LEU   1          2HD2      LEU   1  -3.424  -2.568  -9.997
   13   3HD2  LEU   1          3HD2      LEU   1  -3.087  -3.657 -11.342
   14    H    GLY   2           H        GLY   2  -0.481  -2.777  -7.391
   15   1HA   GLY   2          1HA       GLY   2  -0.454  -4.738  -5.167
   16   2HA   GLY   2          2HA       GLY   2  -1.729  -3.541  -5.393
   17    H    ALA   3           H        ALA   3  -0.277  -3.781  -3.004
   18    HA   ALA   3           HA       ALA   3   1.660  -1.573  -3.032
   19   1HB   ALA   3          1HB       ALA   3   0.464  -0.633  -0.973
   20   2HB   ALA   3          2HB       ALA   3  -0.923  -1.599  -1.476
   21   3HB   ALA   3          3HB       ALA   3  -0.297  -0.335  -2.536
   22    H    SER   4           H        SER   4   2.998  -1.486  -1.198
   23    HA   SER   4           HA       SER   4   2.816  -3.111   1.075
   24   1HB   SER   4          1HB       SER   4   3.304  -4.756  -1.030
   25   2HB   SER   4          2HB       SER   4   4.953  -4.327  -0.582
   26    HG   SER   4           HG       SER   4   4.452  -4.978   1.548
   27    H    TRP   5           H        TRP   5   4.449  -2.729   2.496
   28    HA   TRP   5           HA       TRP   5   6.261  -0.579   1.699
   29   1HB   TRP   5          1HB       TRP   5   4.721  -0.744   3.882
   30   2HB   TRP   5          2HB       TRP   5   6.167  -1.534   4.514
   31    HD1  TRP   5           HD1      TRP   5   5.156   1.713   2.702
   32    HE1  TRP   5           HE1      TRP   5   6.810   3.572   3.410
   33    HE3  TRP   5           HE3      TRP   5   8.339  -1.012   5.599
   34    HZ2  TRP   5           HZ2      TRP   5   9.187   3.846   5.004
   35    HZ3  TRP   5           HZ3      TRP   5  10.277   0.055   6.698
   36    HH2  TRP   5           HH2      TRP   5  10.709   2.481   6.407
   37    H    HIS   6           H        HIS   6   8.435  -0.597   2.091
   38    HA   HIS   6           HA       HIS   6   9.737  -3.072   2.940
   39   1HB   HIS   6          1HB       HIS   6   9.530  -2.257   0.172
   40   2HB   HIS   6          2HB       HIS   6  11.216  -2.210   0.680
   41    HD1  HIS   6           HD1      HIS   6  12.408  -4.410   0.739
   42    HD2  HIS   6           HD2      HIS   6   8.268  -4.898   0.812
   43    HE1  HIS   6           HE1      HIS   6  11.978  -6.902   0.608
   44    H    ARG   7           H        ARG   7  10.180   0.201   1.661
   45    HA   ARG   7           HA       ARG   7  11.526   1.220   3.891
   46   1HB   ARG   7          1HB       ARG   7  13.222  -0.309   2.071
   47   2HB   ARG   7          2HB       ARG   7  13.762   1.359   2.224
   48   1HG   ARG   7          1HG       ARG   7  14.175   1.174   4.491
   49   2HG   ARG   7          2HG       ARG   7  13.014  -0.137   4.701
   50   1HD   ARG   7          1HD       ARG   7  14.792  -1.284   2.968
   51   2HD   ARG   7          2HD       ARG   7  15.858  -0.245   3.910
   52    HE   ARG   7           HE       ARG   7  14.161  -1.641   5.672
   53   1HH1  ARG   7          1HH1      ARG   7  16.813  -2.230   3.468
   54   2HH1  ARG   7          2HH1      ARG   7  17.393  -3.601   4.349
   55   1HH2  ARG   7          1HH2      ARG   7  14.950  -3.436   6.795
   56   2HH2  ARG   7          2HH2      ARG   7  16.348  -4.279   6.217
   57    HA   PRO   8           HA       PRO   8  10.772   4.823   1.444
   58   1HB   PRO   8          1HB       PRO   8  12.271   6.664   2.791
   59   2HB   PRO   8          2HB       PRO   8  10.754   5.982   3.399
   60   1HG   PRO   8          1HG       PRO   8  13.529   5.455   4.275
   61   2HG   PRO   8          2HG       PRO   8  12.012   5.282   5.171
   62   1HD   PRO   8          1HD       PRO   8  13.525   3.194   3.950
   63   2HD   PRO   8          2HD       PRO   8  11.913   3.055   4.689
   64    H    ASP   9           H        ASP   9  12.445   3.358  -0.005
   65    HA   ASP   9           HA       ASP   9  14.602   5.209  -0.838
   66   1HB   ASP   9          1HB       ASP   9  14.534   2.197  -1.159
   67   2HB   ASP   9          2HB       ASP   9  15.841   3.271  -1.660
   68    H    LYS  10           H        LYS  10  13.070   6.287  -2.201
   69    HA   LYS  10           HA       LYS  10  11.670   4.882  -4.276
   70   1HB   LYS  10          1HB       LYS  10  11.059   7.164  -3.281
   71   2HB   LYS  10          2HB       LYS  10  12.340   7.823  -4.298
   72   1HG   LYS  10          1HG       LYS  10  11.206   7.373  -6.262
   73   2HG   LYS  10          2HG       LYS  10  10.337   6.003  -5.569
   74   1HD   LYS  10          1HD       LYS  10   8.703   7.720  -5.825
   75   2HD   LYS  10          2HD       LYS  10   9.109   7.713  -4.109
   76   1HE   LYS  10          1HE       LYS  10  10.827   9.522  -4.643
   77   2HE   LYS  10          2HE       LYS  10  10.069   9.643  -6.231
   78   1HZ   LYS  10          1HZ       LYS  10   7.942  10.051  -5.102
   79   2HZ   LYS  10          2HZ       LYS  10   8.745  10.049  -3.604
   80   3HZ   LYS  10          3HZ       LYS  10   9.098  11.246  -4.754

  No H/Q in entry =          80
  Start of MODEL   29
    1    H1   LEU   1           H1       LEU   1  -4.090  -3.613  -3.819
    2    H2   LEU   1           H2       LEU   1  -3.644  -2.412  -4.931
    3    H3   LEU   1           H3       LEU   1  -2.808  -3.891  -4.897
    4    HA   LEU   1           HA       LEU   1  -1.690  -3.397  -2.960
    5   1HB   LEU   1          1HB       LEU   1  -2.065  -1.040  -4.766
    6   2HB   LEU   1          2HB       LEU   1  -1.176  -0.803  -3.260
    7    HG   LEU   1           HG       LEU   1   0.138  -2.935  -3.961
    8   1HD1  LEU   1          1HD1      LEU   1  -1.465  -2.280  -6.386
    9   2HD1  LEU   1          2HD1      LEU   1   0.221  -2.731  -6.642
   10   3HD1  LEU   1          3HD1      LEU   1  -0.873  -3.841  -5.817
   11   1HD2  LEU   1          1HD2      LEU   1   0.391  -0.260  -5.362
   12   2HD2  LEU   1          2HD2      LEU   1   1.216  -0.779  -3.892
   13   3HD2  LEU   1          3HD2      LEU   1   1.628  -1.515  -5.441
   14    H    GLY   2           H        GLY   2  -2.643  -3.570  -1.004
   15   1HA   GLY   2          1HA       GLY   2  -4.310  -3.068   0.636
   16   2HA   GLY   2          2HA       GLY   2  -4.560  -1.505  -0.138
   17    H    ALA   3           H        ALA   3  -1.434  -2.927   0.634
   18    HA   ALA   3           HA       ALA   3  -0.421  -0.602   1.859
   19   1HB   ALA   3          1HB       ALA   3  -0.374  -1.209   4.194
   20   2HB   ALA   3          2HB       ALA   3  -2.052  -1.263   3.654
   21   3HB   ALA   3          3HB       ALA   3  -1.142  -2.760   3.855
   22    H    SER   4           H        SER   4   1.338  -1.141   0.565
   23    HA   SER   4           HA       SER   4   2.863  -3.525   1.435
   24   1HB   SER   4          1HB       SER   4   3.430  -2.205  -1.179
   25   2HB   SER   4          2HB       SER   4   3.600  -3.896  -0.716
   26    HG   SER   4           HG       SER   4   1.221  -2.447  -1.266
   27    H    TRP   5           H        TRP   5   4.797  -3.214   2.288
   28    HA   TRP   5           HA       TRP   5   6.083  -0.591   1.913
   29   1HB   TRP   5          1HB       TRP   5   4.932  -1.317   4.260
   30   2HB   TRP   5          2HB       TRP   5   6.558  -1.960   4.492
   31    HD1  TRP   5           HD1      TRP   5   4.955   1.300   3.206
   32    HE1  TRP   5           HE1      TRP   5   6.409   3.286   4.014
   33    HE3  TRP   5           HE3      TRP   5   8.639  -1.254   5.610
   34    HZ2  TRP   5           HZ2      TRP   5   8.840   3.709   5.491
   35    HZ3  TRP   5           HZ3      TRP   5  10.508  -0.057   6.706
   36    HH2  TRP   5           HH2      TRP   5  10.614   2.420   6.651
   37    H    HIS   6           H        HIS   6   8.379  -0.680   2.765
   38    HA   HIS   6           HA       HIS   6   9.842  -3.105   2.713
   39   1HB   HIS   6          1HB       HIS   6   9.259  -2.788   0.247
   40   2HB   HIS   6          2HB       HIS   6  10.264  -1.339   0.295
   41    HD1  HIS   6           HD1      HIS   6  11.282  -3.532  -1.501
   42    HD2  HIS   6           HD2      HIS   6  12.213  -3.368   2.555
   43    HE1  HIS   6           HE1      HIS   6  13.405  -4.884  -1.203
   44    H    ARG   7           H        ARG   7  10.124   0.283   1.713
   45    HA   ARG   7           HA       ARG   7  11.359   1.354   3.912
   46   1HB   ARG   7          1HB       ARG   7  13.248  -0.277   2.360
   47   2HB   ARG   7          2HB       ARG   7  13.783   1.390   2.578
   48   1HG   ARG   7          1HG       ARG   7  13.884   1.210   4.885
   49   2HG   ARG   7          2HG       ARG   7  12.681  -0.076   4.945
   50   1HD   ARG   7          1HD       ARG   7  14.221  -1.722   4.557
   51   2HD   ARG   7          2HD       ARG   7  15.185  -0.711   3.485
   52    HE   ARG   7           HE       ARG   7  16.495  -0.168   5.309
   53   1HH1  ARG   7          1HH1      ARG   7  13.372  -1.270   6.442
   54   2HH1  ARG   7          2HH1      ARG   7  13.822  -1.187   8.110
   55   1HH2  ARG   7          1HH2      ARG   7  17.039  -0.072   7.496
   56   2HH2  ARG   7          2HH2      ARG   7  15.879  -0.514   8.704
   57    HA   PRO   8           HA       PRO   8  10.933   4.764   1.128
   58   1HB   PRO   8          1HB       PRO   8  12.043   6.733   2.655
   59   2HB   PRO   8          2HB       PRO   8  10.458   6.008   2.970
   60   1HG   PRO   8          1HG       PRO   8  12.993   5.670   4.444
   61   2HG   PRO   8          2HG       PRO   8  11.330   5.435   4.998
   62   1HD   PRO   8          1HD       PRO   8  13.189   3.409   4.208
   63   2HD   PRO   8          2HD       PRO   8  11.481   3.188   4.639
   64    H    ASP   9           H        ASP   9  12.923   3.309   0.149
   65    HA   ASP   9           HA       ASP   9  15.179   5.183  -0.264
   66   1HB   ASP   9          1HB       ASP   9  16.497   3.167  -0.921
   67   2HB   ASP   9          2HB       ASP   9  15.965   3.129   0.760
   68    H    LYS  10           H        LYS  10  15.904   5.551  -2.352
   69    HA   LYS  10           HA       LYS  10  15.722   5.847  -4.626
   70   1HB   LYS  10          1HB       LYS  10  15.986   3.322  -4.541
   71   2HB   LYS  10          2HB       LYS  10  14.229   3.220  -4.666
   72   1HG   LYS  10          1HG       LYS  10  14.835   3.114  -6.910
   73   2HG   LYS  10          2HG       LYS  10  14.585   4.849  -6.712
   74   1HD   LYS  10          1HD       LYS  10  16.885   5.304  -6.645
   75   2HD   LYS  10          2HD       LYS  10  17.297   3.645  -6.209
   76   1HE   LYS  10          1HE       LYS  10  17.209   2.906  -8.375
   77   2HE   LYS  10          2HE       LYS  10  15.903   4.010  -8.807
   78   1HZ   LYS  10          1HZ       LYS  10  18.579   5.068  -8.191
   79   2HZ   LYS  10          2HZ       LYS  10  18.264   4.420  -9.727
   80   3HZ   LYS  10          3HZ       LYS  10  17.355   5.739  -9.161

  No H/Q in entry =          80
  Start of MODEL   30
    1    H1   LEU   1           H1       LEU   1   2.627  -7.658  -2.071
    2    H2   LEU   1           H2       LEU   1   2.493  -9.271  -2.588
    3    H3   LEU   1           H3       LEU   1   2.696  -8.026  -3.726
    4    HA   LEU   1           HA       LEU   1   0.409  -8.744  -3.721
    5   1HB   LEU   1          1HB       LEU   1   0.903  -8.657  -0.831
    6   2HB   LEU   1          2HB       LEU   1  -0.595  -7.841  -1.281
    7    HG   LEU   1           HG       LEU   1  -0.988  -9.977  -2.761
    8   1HD1  LEU   1          1HD1      LEU   1   1.268 -10.726  -0.955
    9   2HD1  LEU   1          2HD1      LEU   1   0.001 -11.925  -1.212
   10   3HD1  LEU   1          3HD1      LEU   1   0.903 -11.287  -2.587
   11   1HD2  LEU   1          1HD2      LEU   1  -2.128  -9.145  -0.549
   12   2HD2  LEU   1          2HD2      LEU   1  -2.367 -10.817  -1.060
   13   3HD2  LEU   1          3HD2      LEU   1  -1.199 -10.440   0.206
   14    H    GLY   2           H        GLY   2   0.244  -7.060  -5.143
   15   1HA   GLY   2          1HA       GLY   2  -1.022  -4.675  -4.337
   16   2HA   GLY   2          2HA       GLY   2  -0.302  -4.959  -5.920
   17    H    ALA   3           H        ALA   3   0.088  -3.537  -2.798
   18    HA   ALA   3           HA       ALA   3   2.806  -2.606  -3.486
   19   1HB   ALA   3          1HB       ALA   3   0.720  -0.799  -2.263
   20   2HB   ALA   3          2HB       ALA   3   2.296  -0.354  -2.921
   21   3HB   ALA   3          3HB       ALA   3   1.003  -0.875  -4.002
   22    H    SER   4           H        SER   4   4.173  -3.049  -1.894
   23    HA   SER   4           HA       SER   4   3.143  -3.075   0.879
   24   1HB   SER   4          1HB       SER   4   4.858  -5.106  -0.523
   25   2HB   SER   4          2HB       SER   4   4.996  -4.877   1.217
   26    HG   SER   4           HG       SER   4   2.896  -5.462   1.462
   27    H    TRP   5           H        TRP   5   4.451  -2.341   2.453
   28    HA   TRP   5           HA       TRP   5   6.469  -0.459   1.599
   29   1HB   TRP   5          1HB       TRP   5   4.678  -0.302   3.554
   30   2HB   TRP   5          2HB       TRP   5   5.985  -1.038   4.484
   31    HD1  TRP   5           HD1      TRP   5   5.354   1.967   2.171
   32    HE1  TRP   5           HE1      TRP   5   6.975   3.866   2.866
   33    HE3  TRP   5           HE3      TRP   5   8.029  -0.454   5.760
   34    HZ2  TRP   5           HZ2      TRP   5   9.141   4.272   4.719
   35    HZ3  TRP   5           HZ3      TRP   5   9.851   0.690   6.974
   36    HH2  TRP   5           HH2      TRP   5  10.414   3.051   6.462
   37    H    HIS   6           H        HIS   6   8.508  -0.969   1.324
   38    HA   HIS   6           HA       HIS   6   9.689  -3.131   2.960
   39   1HB   HIS   6          1HB       HIS   6  10.044  -2.320   0.121
   40   2HB   HIS   6          2HB       HIS   6  11.491  -2.837   0.985
   41    HD1  HIS   6           HD1      HIS   6  11.712  -5.134  -0.145
   42    HD2  HIS   6           HD2      HIS   6   7.987  -4.541   1.631
   43    HE1  HIS   6           HE1      HIS   6  10.539  -7.380  -0.169
   44    H    ARG   7           H        ARG   7  10.044   0.146   1.753
   45    HA   ARG   7           HA       ARG   7  11.335   1.214   3.935
   46   1HB   ARG   7          1HB       ARG   7  13.167  -0.370   2.329
   47   2HB   ARG   7          2HB       ARG   7  13.669   1.320   2.364
   48   1HG   ARG   7          1HG       ARG   7  13.818   1.350   4.720
   49   2HG   ARG   7          2HG       ARG   7  12.851  -0.116   4.885
   50   1HD   ARG   7          1HD       ARG   7  14.609  -1.511   4.294
   51   2HD   ARG   7          2HD       ARG   7  15.423  -0.262   3.359
   52    HE   ARG   7           HE       ARG   7  15.381   0.445   6.116
   53   1HH1  ARG   7          1HH1      ARG   7  16.915  -1.761   3.871
   54   2HH1  ARG   7          2HH1      ARG   7  18.374  -1.864   4.793
   55   1HH2  ARG   7          1HH2      ARG   7  17.303   0.284   7.288
   56   2HH2  ARG   7          2HH2      ARG   7  18.597  -0.715   6.711
   57    HA   PRO   8           HA       PRO   8  10.698   4.763   1.390
   58   1HB   PRO   8          1HB       PRO   8  12.145   6.632   2.749
   59   2HB   PRO   8          2HB       PRO   8  10.616   5.950   3.324
   60   1HG   PRO   8          1HG       PRO   8  13.369   5.446   4.280
   61   2HG   PRO   8          2HG       PRO   8  11.833   5.300   5.144
   62   1HD   PRO   8          1HD       PRO   8  13.363   3.177   4.020
   63   2HD   PRO   8          2HD       PRO   8  11.726   3.066   4.702
   64    H    ASP   9           H        ASP   9  12.473   3.265   0.041
   65    HA   ASP   9           HA       ASP   9  14.180   3.297  -1.511
   66   1HB   ASP   9          1HB       ASP   9  12.727   5.397  -2.089
   67   2HB   ASP   9          2HB       ASP   9  14.114   6.294  -1.469
   68    H    LYS  10           H        LYS  10  15.766   2.526  -0.039
   69    HA   LYS  10           HA       LYS  10  17.880   4.495   0.463
   70   1HB   LYS  10          1HB       LYS  10  16.308   3.998   2.550
   71   2HB   LYS  10          2HB       LYS  10  17.328   2.563   2.671
   72   1HG   LYS  10          1HG       LYS  10  19.211   4.497   2.235
   73   2HG   LYS  10          2HG       LYS  10  18.003   5.407   3.143
   74   1HD   LYS  10          1HD       LYS  10  19.115   2.730   4.029
   75   2HD   LYS  10          2HD       LYS  10  19.723   4.286   4.598
   76   1HE   LYS  10          1HE       LYS  10  17.519   4.851   5.499
   77   2HE   LYS  10          2HE       LYS  10  16.852   3.345   4.868
   78   1HZ   LYS  10          1HZ       LYS  10  18.524   2.163   6.252
   79   2HZ   LYS  10          2HZ       LYS  10  18.931   3.649   6.964
   80   3HZ   LYS  10          3HZ       LYS  10  17.367   3.021   7.152

  No H/Q in entry =          80
  Start of MODEL   31
    1    H1   LEU   1           H1       LEU   1   0.984   3.309  -2.944
    2    H2   LEU   1           H2       LEU   1  -0.289   4.369  -3.306
    3    H3   LEU   1           H3       LEU   1   1.172   4.979  -2.690
    4    HA   LEU   1           HA       LEU   1   0.787   4.170  -0.565
    5   1HB   LEU   1          1HB       LEU   1  -0.840   6.000  -1.515
    6   2HB   LEU   1          2HB       LEU   1  -2.049   4.723  -1.394
    7    HG   LEU   1           HG       LEU   1  -0.295   5.083   0.978
    8   1HD1  LEU   1          1HD1      LEU   1  -0.757   7.422   0.311
    9   2HD1  LEU   1          2HD1      LEU   1  -2.483   7.063   0.271
   10   3HD1  LEU   1          3HD1      LEU   1  -1.603   6.997   1.799
   11   1HD2  LEU   1          1HD2      LEU   1  -2.185   3.440   0.809
   12   2HD2  LEU   1          2HD2      LEU   1  -2.377   4.579   2.142
   13   3HD2  LEU   1          3HD2      LEU   1  -3.300   4.797   0.656
   14    H    GLY   2           H        GLY   2  -1.452   2.750  -2.912
   15   1HA   GLY   2          1HA       GLY   2  -2.795   0.842  -2.746
   16   2HA   GLY   2          2HA       GLY   2  -2.275   0.653  -1.072
   17    H    ALA   3           H        ALA   3  -0.181  -0.272  -0.666
   18    HA   ALA   3           HA       ALA   3   0.400  -2.511  -2.316
   19   1HB   ALA   3          1HB       ALA   3   1.434  -0.574  -3.634
   20   2HB   ALA   3          2HB       ALA   3   2.503  -1.924  -3.253
   21   3HB   ALA   3          3HB       ALA   3   2.593  -0.434  -2.312
   22    H    SER   4           H        SER   4   3.015  -3.023  -1.625
   23    HA   SER   4           HA       SER   4   2.776  -3.349   1.278
   24   1HB   SER   4          1HB       SER   4   4.874  -4.854   0.777
   25   2HB   SER   4          2HB       SER   4   3.259  -5.440   0.389
   26    HG   SER   4           HG       SER   4   5.081  -4.148  -1.371
   27    H    TRP   5           H        TRP   5   4.575  -2.966   2.634
   28    HA   TRP   5           HA       TRP   5   6.175  -0.679   1.726
   29   1HB   TRP   5          1HB       TRP   5   4.656  -0.862   3.913
   30   2HB   TRP   5          2HB       TRP   5   6.144  -1.540   4.571
   31    HD1  TRP   5           HD1      TRP   5   4.952   1.573   2.644
   32    HE1  TRP   5           HE1      TRP   5   6.457   3.565   3.330
   33    HE3  TRP   5           HE3      TRP   5   8.249  -0.840   5.676
   34    HZ2  TRP   5           HZ2      TRP   5   8.770   4.047   4.966
   35    HZ3  TRP   5           HZ3      TRP   5  10.082   0.387   6.789
   36    HH2  TRP   5           HH2      TRP   5  10.352   2.828   6.439
   37    H    HIS   6           H        HIS   6   8.349  -0.662   1.761
   38    HA   HIS   6           HA       HIS   6   9.755  -3.083   2.704
   39   1HB   HIS   6          1HB       HIS   6   9.722  -1.866   0.019
   40   2HB   HIS   6          2HB       HIS   6  11.338  -2.174   0.648
   41    HD1  HIS   6           HD1      HIS   6  11.371  -4.056  -1.312
   42    HD2  HIS   6           HD2      HIS   6   8.812  -4.792   1.895
   43    HE1  HIS   6           HE1      HIS   6  10.784  -6.516  -1.415
   44    H    ARG   7           H        ARG   7  10.096   0.287   1.678
   45    HA   ARG   7           HA       ARG   7  11.207   1.380   3.930
   46   1HB   ARG   7          1HB       ARG   7  13.179  -0.264   2.495
   47   2HB   ARG   7          2HB       ARG   7  13.710   1.400   2.743
   48   1HG   ARG   7          1HG       ARG   7  13.763   1.190   5.029
   49   2HG   ARG   7          2HG       ARG   7  12.426   0.038   5.060
   50   1HD   ARG   7          1HD       ARG   7  14.292  -1.281   5.624
   51   2HD   ARG   7          2HD       ARG   7  14.073  -1.591   3.906
   52    HE   ARG   7           HE       ARG   7  16.151  -0.647   3.560
   53   1HH1  ARG   7          1HH1      ARG   7  14.858   0.536   6.591
   54   2HH1  ARG   7          2HH1      ARG   7  16.287   1.429   6.983
   55   1HH2  ARG   7          1HH2      ARG   7  17.994   0.531   4.110
   56   2HH2  ARG   7          2HH2      ARG   7  18.048   1.428   5.591
   57    HA   PRO   8           HA       PRO   8  10.982   4.789   1.124
   58   1HB   PRO   8          1HB       PRO   8  12.155   6.732   2.637
   59   2HB   PRO   8          2HB       PRO   8  10.545   6.065   2.954
   60   1HG   PRO   8          1HG       PRO   8  13.066   5.648   4.434
   61   2HG   PRO   8          2HG       PRO   8  11.395   5.489   4.992
   62   1HD   PRO   8          1HD       PRO   8  13.166   3.375   4.234
   63   2HD   PRO   8          2HD       PRO   8  11.445   3.236   4.654
   64    H    ASP   9           H        ASP   9  12.953   3.240   0.199
   65    HA   ASP   9           HA       ASP   9  15.327   4.969  -0.124
   66   1HB   ASP   9          1HB       ASP   9  16.430   2.897  -0.993
   67   2HB   ASP   9          2HB       ASP   9  15.907   2.765   0.686
   68    H    LYS  10           H        LYS  10  15.956   5.671  -2.102
   69    HA   LYS  10           HA       LYS  10  14.695   4.638  -4.519
   70   1HB   LYS  10          1HB       LYS  10  13.238   6.532  -3.481
   71   2HB   LYS  10          2HB       LYS  10  14.519   7.602  -4.053
   72   1HG   LYS  10          1HG       LYS  10  14.261   6.641  -6.336
   73   2HG   LYS  10          2HG       LYS  10  12.919   5.659  -5.746
   74   1HD   LYS  10          1HD       LYS  10  12.951   8.665  -5.443
   75   2HD   LYS  10          2HD       LYS  10  12.301   7.878  -6.882
   76   1HE   LYS  10          1HE       LYS  10  11.039   6.424  -5.002
   77   2HE   LYS  10          2HE       LYS  10  11.229   7.932  -4.107
   78   1HZ   LYS  10          1HZ       LYS  10  10.358   8.993  -6.271
   79   2HZ   LYS  10          2HZ       LYS  10   9.771   7.438  -6.616
   80   3HZ   LYS  10          3HZ       LYS  10   9.253   8.250  -5.216

  No H/Q in entry =          80
  Start of MODEL   32
    1    H1   LEU   1           H1       LEU   1   0.466  -3.419  -4.537
    2    H2   LEU   1           H2       LEU   1   1.362  -4.259  -5.707
    3    H3   LEU   1           H3       LEU   1  -0.052  -3.431  -6.156
    4    HA   LEU   1           HA       LEU   1  -0.806  -5.587  -6.068
    5   1HB   LEU   1          1HB       LEU   1   1.293  -5.808  -3.958
    6   2HB   LEU   1          2HB       LEU   1  -0.091  -6.895  -3.839
    7    HG   LEU   1           HG       LEU   1   1.259  -6.574  -6.494
    8   1HD1  LEU   1          1HD1      LEU   1   2.401  -7.850  -4.051
    9   2HD1  LEU   1          2HD1      LEU   1   2.562  -8.729  -5.571
   10   3HD1  LEU   1          3HD1      LEU   1   3.227  -7.103  -5.419
   11   1HD2  LEU   1          1HD2      LEU   1  -0.897  -7.959  -5.798
   12   2HD2  LEU   1          2HD2      LEU   1   0.260  -8.622  -6.952
   13   3HD2  LEU   1          3HD2      LEU   1   0.303  -9.136  -5.266
   14    H    GLY   2           H        GLY   2  -0.231  -4.628  -2.687
   15   1HA   GLY   2          1HA       GLY   2  -2.649  -5.172  -1.570
   16   2HA   GLY   2          2HA       GLY   2  -2.922  -3.620  -2.356
   17    H    ALA   3           H        ALA   3  -0.893  -2.086  -1.941
   18    HA   ALA   3           HA       ALA   3   0.189  -0.751  -0.414
   19   1HB   ALA   3          1HB       ALA   3  -0.710  -1.121   2.055
   20   2HB   ALA   3          2HB       ALA   3  -1.994  -1.983   1.209
   21   3HB   ALA   3          3HB       ALA   3  -1.686  -0.285   0.846
   22    H    SER   4           H        SER   4   2.139  -1.928  -0.802
   23    HA   SER   4           HA       SER   4   2.902  -3.694   1.448
   24   1HB   SER   4          1HB       SER   4   4.740  -4.337  -0.409
   25   2HB   SER   4          2HB       SER   4   3.196  -5.173  -0.273
   26    HG   SER   4           HG       SER   4   3.779  -2.949  -1.947
   27    H    TRP   5           H        TRP   5   4.613  -3.164   2.617
   28    HA   TRP   5           HA       TRP   5   6.068  -0.724   1.838
   29   1HB   TRP   5          1HB       TRP   5   4.757  -1.187   4.155
   30   2HB   TRP   5          2HB       TRP   5   6.353  -1.801   4.588
   31    HD1  TRP   5           HD1      TRP   5   4.819   1.337   2.946
   32    HE1  TRP   5           HE1      TRP   5   6.244   3.381   3.645
   33    HE3  TRP   5           HE3      TRP   5   8.435  -1.012   5.659
   34    HZ2  TRP   5           HZ2      TRP   5   8.620   3.929   5.165
   35    HZ3  TRP   5           HZ3      TRP   5  10.259   0.277   6.721
   36    HH2  TRP   5           HH2      TRP   5  10.359   2.743   6.479
   37    H    HIS   6           H        HIS   6   8.296  -0.584   2.172
   38    HA   HIS   6           HA       HIS   6   9.792  -3.062   2.621
   39   1HB   HIS   6          1HB       HIS   6   9.447  -1.780   0.027
   40   2HB   HIS   6          2HB       HIS   6  11.145  -1.820   0.495
   41    HD1  HIS   6           HD1      HIS   6  11.387  -3.632  -1.480
   42    HD2  HIS   6           HD2      HIS   6   9.140  -4.856   1.811
   43    HE1  HIS   6           HE1      HIS   6  11.197  -6.152  -1.641
   44    H    ARG   7           H        ARG   7  10.104   0.337   1.673
   45    HA   ARG   7           HA       ARG   7  11.190   1.438   3.917
   46   1HB   ARG   7          1HB       ARG   7  13.197  -0.232   2.542
   47   2HB   ARG   7          2HB       ARG   7  13.726   1.421   2.853
   48   1HG   ARG   7          1HG       ARG   7  13.696   1.151   5.130
   49   2HG   ARG   7          2HG       ARG   7  12.331   0.033   5.085
   50   1HD   ARG   7          1HD       ARG   7  13.815  -1.729   4.189
   51   2HD   ARG   7          2HD       ARG   7  15.175  -0.615   4.262
   52    HE   ARG   7           HE       ARG   7  14.199  -0.635   6.822
   53   1HH1  ARG   7          1HH1      ARG   7  15.243  -3.110   4.577
   54   2HH1  ARG   7          2HH1      ARG   7  15.790  -4.173   5.827
   55   1HH2  ARG   7          1HH2      ARG   7  14.925  -2.052   8.421
   56   2HH2  ARG   7          2HH2      ARG   7  15.611  -3.582   7.984
   57    HA   PRO   8           HA       PRO   8  11.092   4.771   1.003
   58   1HB   PRO   8          1HB       PRO   8  12.086   6.770   2.571
   59   2HB   PRO   8          2HB       PRO   8  10.467   6.077   2.756
   60   1HG   PRO   8          1HG       PRO   8  12.844   5.753   4.474
   61   2HG   PRO   8          2HG       PRO   8  11.132   5.552   4.872
   62   1HD   PRO   8          1HD       PRO   8  13.036   3.484   4.315
   63   2HD   PRO   8          2HD       PRO   8  11.291   3.294   4.600
   64    H    ASP   9           H        ASP   9  13.161   3.247   0.289
   65    HA   ASP   9           HA       ASP   9  14.998   5.024  -0.909
   66   1HB   ASP   9          1HB       ASP   9  15.722   4.826   1.646
   67   2HB   ASP   9          2HB       ASP   9  16.477   3.343   1.061
   68    H    LYS  10           H        LYS  10  16.220   4.014  -2.473
   69    HA   LYS  10           HA       LYS  10  16.811   2.370  -3.969
   70   1HB   LYS  10          1HB       LYS  10  17.770   1.460  -1.685
   71   2HB   LYS  10          2HB       LYS  10  16.488   0.261  -1.868
   72   1HG   LYS  10          1HG       LYS  10  17.347  -0.159  -4.212
   73   2HG   LYS  10          2HG       LYS  10  18.732   0.856  -3.813
   74   1HD   LYS  10          1HD       LYS  10  19.410  -0.629  -2.044
   75   2HD   LYS  10          2HD       LYS  10  17.917  -1.558  -2.177
   76   1HE   LYS  10          1HE       LYS  10  19.384  -2.894  -3.397
   77   2HE   LYS  10          2HE       LYS  10  18.693  -1.892  -4.673
   78   1HZ   LYS  10          1HZ       LYS  10  20.604  -0.350  -4.304
   79   2HZ   LYS  10          2HZ       LYS  10  21.296  -1.530  -3.303
   80   3HZ   LYS  10          3HZ       LYS  10  21.027  -1.865  -4.947

  No H/Q in entry =          80
  Start of MODEL   33
    1    H1   LEU   1           H1       LEU   1  -6.390  -0.473  -2.328
    2    H2   LEU   1           H2       LEU   1  -5.133  -0.449  -3.471
    3    H3   LEU   1           H3       LEU   1  -6.701  -0.907  -3.938
    4    HA   LEU   1           HA       LEU   1  -6.582  -2.952  -2.905
    5   1HB   LEU   1          1HB       LEU   1  -4.342  -2.085  -4.514
    6   2HB   LEU   1          2HB       LEU   1  -3.788  -3.277  -3.339
    7    HG   LEU   1           HG       LEU   1  -6.300  -3.756  -4.933
    8   1HD1  LEU   1          1HD1      LEU   1  -4.277  -3.203  -6.422
    9   2HD1  LEU   1          2HD1      LEU   1  -3.557  -4.686  -5.796
   10   3HD1  LEU   1          3HD1      LEU   1  -5.068  -4.752  -6.704
   11   1HD2  LEU   1          1HD2      LEU   1  -4.242  -5.472  -3.518
   12   2HD2  LEU   1          2HD2      LEU   1  -5.942  -5.270  -3.096
   13   3HD2  LEU   1          3HD2      LEU   1  -5.495  -6.140  -4.564
   14    H    GLY   2           H        GLY   2  -3.454  -1.475  -2.026
   15   1HA   GLY   2          1HA       GLY   2  -3.421  -2.868   0.511
   16   2HA   GLY   2          2HA       GLY   2  -3.675  -1.131   0.658
   17    H    ALA   3           H        ALA   3  -1.753  -2.666  -1.851
   18    HA   ALA   3           HA       ALA   3   0.474  -2.506  -2.405
   19   1HB   ALA   3          1HB       ALA   3   1.673  -0.464  -1.738
   20   2HB   ALA   3          2HB       ALA   3   0.379  -0.071  -0.607
   21   3HB   ALA   3          3HB       ALA   3   0.060  -0.082  -2.341
   22    H    SER   4           H        SER   4   2.754  -2.208  -1.300
   23    HA   SER   4           HA       SER   4   2.717  -3.415   1.391
   24   1HB   SER   4          1HB       SER   4   4.759  -4.408  -0.535
   25   2HB   SER   4          2HB       SER   4   3.988  -5.237   0.815
   26    HG   SER   4           HG       SER   4   3.384  -5.476  -1.693
   27    H    TRP   5           H        TRP   5   4.562  -3.041   2.635
   28    HA   TRP   5           HA       TRP   5   6.107  -0.704   1.750
   29   1HB   TRP   5          1HB       TRP   5   4.725  -0.993   4.030
   30   2HB   TRP   5          2HB       TRP   5   6.263  -1.676   4.557
   31    HD1  TRP   5           HD1      TRP   5   4.958   1.479   2.760
   32    HE1  TRP   5           HE1      TRP   5   6.473   3.465   3.429
   33    HE3  TRP   5           HE3      TRP   5   8.369  -0.969   5.639
   34    HZ2  TRP   5           HZ2      TRP   5   8.836   3.933   4.993
   35    HZ3  TRP   5           HZ3      TRP   5  10.234   0.253   6.708
   36    HH2  TRP   5           HH2      TRP   5  10.475   2.701   6.390
   37    H    HIS   6           H        HIS   6   8.336  -0.589   2.093
   38    HA   HIS   6           HA       HIS   6   9.771  -3.064   2.718
   39   1HB   HIS   6          1HB       HIS   6   9.599  -1.777   0.071
   40   2HB   HIS   6          2HB       HIS   6  11.240  -2.100   0.612
   41    HD1  HIS   6           HD1      HIS   6  10.472  -3.752  -1.704
   42    HD2  HIS   6           HD2      HIS   6   9.476  -4.937   2.167
   43    HE1  HIS   6           HE1      HIS   6  10.068  -6.248  -1.800
   44    H    ARG   7           H        ARG   7  10.123   0.302   1.668
   45    HA   ARG   7           HA       ARG   7  11.292   1.371   3.921
   46   1HB   ARG   7          1HB       ARG   7  13.205  -0.259   2.390
   47   2HB   ARG   7          2HB       ARG   7  13.751   1.398   2.646
   48   1HG   ARG   7          1HG       ARG   7  13.925   1.138   4.912
   49   2HG   ARG   7          2HG       ARG   7  12.541   0.048   4.998
   50   1HD   ARG   7          1HD       ARG   7  14.606  -1.169   5.514
   51   2HD   ARG   7          2HD       ARG   7  13.909  -1.758   4.010
   52    HE   ARG   7           HE       ARG   7  15.803   0.307   3.487
   53   1HH1  ARG   7          1HH1      ARG   7  15.571  -3.058   4.427
   54   2HH1  ARG   7          2HH1      ARG   7  17.117  -3.466   3.767
   55   1HH2  ARG   7          1HH2      ARG   7  17.812  -0.269   2.639
   56   2HH2  ARG   7          2HH2      ARG   7  18.376  -1.902   2.764
   57    HA   PRO   8           HA       PRO   8  10.982   4.818   1.169
   58   1HB   PRO   8          1HB       PRO   8  12.211   6.738   2.670
   59   2HB   PRO   8          2HB       PRO   8  10.605   6.079   3.023
   60   1HG   PRO   8          1HG       PRO   8  13.164   5.629   4.429
   61   2HG   PRO   8          2HG       PRO   8  11.506   5.474   5.030
   62   1HD   PRO   8          1HD       PRO   8  13.242   3.357   4.205
   63   2HD   PRO   8          2HD       PRO   8  11.529   3.224   4.663
   64    H    ASP   9           H        ASP   9  12.901   3.277   0.153
   65    HA   ASP   9           HA       ASP   9  15.450   4.655  -0.009
   66   1HB   ASP   9          1HB       ASP   9  14.323   2.150  -1.235
   67   2HB   ASP   9          2HB       ASP   9  15.827   2.848  -1.836
   68    H    LYS  10           H        LYS  10  15.800   6.315  -1.310
   69    HA   LYS  10           HA       LYS  10  13.923   6.998  -3.402
   70   1HB   LYS  10          1HB       LYS  10  15.775   8.414  -1.814
   71   2HB   LYS  10          2HB       LYS  10  16.366   8.560  -3.468
   72   1HG   LYS  10          1HG       LYS  10  14.837  10.382  -3.106
   73   2HG   LYS  10          2HG       LYS  10  14.012   9.219  -4.143
   74   1HD   LYS  10          1HD       LYS  10  13.169   8.226  -1.849
   75   2HD   LYS  10          2HD       LYS  10  13.538   9.842  -1.248
   76   1HE   LYS  10          1HE       LYS  10  11.326  10.112  -1.930
   77   2HE   LYS  10          2HE       LYS  10  12.195  10.619  -3.378
   78   1HZ   LYS  10          1HZ       LYS  10  11.978   8.345  -4.225
   79   2HZ   LYS  10          2HZ       LYS  10  11.063   7.924  -2.857
   80   3HZ   LYS  10          3HZ       LYS  10  10.469   9.071  -3.961

  No H/Q in entry =          80
  Start of MODEL   34
    1    H1   LEU   1           H1       LEU   1  -2.810  -3.699  -7.575
    2    H2   LEU   1           H2       LEU   1  -4.394  -3.086  -7.542
    3    H3   LEU   1           H3       LEU   1  -3.167  -2.326  -6.646
    4    HA   LEU   1           HA       LEU   1  -4.282  -3.516  -5.028
    5   1HB   LEU   1          1HB       LEU   1  -4.759  -5.354  -7.310
    6   2HB   LEU   1          2HB       LEU   1  -4.597  -6.124  -5.731
    7    HG   LEU   1           HG       LEU   1  -6.276  -4.401  -4.871
    8   1HD1  LEU   1          1HD1      LEU   1  -6.515  -3.974  -7.859
    9   2HD1  LEU   1          2HD1      LEU   1  -7.779  -3.513  -6.720
   10   3HD1  LEU   1          3HD1      LEU   1  -6.187  -2.760  -6.623
   11   1HD2  LEU   1          1HD2      LEU   1  -6.715  -6.850  -5.579
   12   2HD2  LEU   1          2HD2      LEU   1  -8.111  -5.776  -5.474
   13   3HD2  LEU   1          3HD2      LEU   1  -7.412  -6.162  -7.046
   14    H    GLY   2           H        GLY   2  -3.364  -4.981  -3.487
   15   1HA   GLY   2          1HA       GLY   2  -0.865  -6.326  -4.185
   16   2HA   GLY   2          2HA       GLY   2  -1.716  -6.437  -2.647
   17    H    ALA   3           H        ALA   3   0.987  -5.260  -4.122
   18    HA   ALA   3           HA       ALA   3   2.653  -3.808  -3.491
   19   1HB   ALA   3          1HB       ALA   3   1.691  -1.639  -2.299
   20   2HB   ALA   3          2HB       ALA   3   1.502  -1.886  -4.035
   21   3HB   ALA   3          3HB       ALA   3   0.167  -2.249  -2.942
   22    H    SER   4           H        SER   4   3.690  -2.774  -1.572
   23    HA   SER   4           HA       SER   4   2.793  -3.159   1.068
   24   1HB   SER   4          1HB       SER   4   4.230  -5.470  -0.162
   25   2HB   SER   4          2HB       SER   4   4.629  -5.037   1.498
   26    HG   SER   4           HG       SER   4   2.890  -6.149   1.929
   27    H    TRP   5           H        TRP   5   4.257  -2.492   2.594
   28    HA   TRP   5           HA       TRP   5   6.180  -0.623   1.676
   29   1HB   TRP   5          1HB       TRP   5   4.763  -0.808   3.929
   30   2HB   TRP   5          2HB       TRP   5   6.245  -1.584   4.490
   31    HD1  TRP   5           HD1      TRP   5   5.194   1.635   2.632
   32    HE1  TRP   5           HE1      TRP   5   6.819   3.523   3.327
   33    HE3  TRP   5           HE3      TRP   5   8.348  -1.000   5.635
   34    HZ2  TRP   5           HZ2      TRP   5   9.163   3.853   4.954
   35    HZ3  TRP   5           HZ3      TRP   5  10.262   0.108   6.746
   36    HH2  TRP   5           HH2      TRP   5  10.676   2.531   6.411
   37    H    HIS   6           H        HIS   6   8.406  -0.571   2.255
   38    HA   HIS   6           HA       HIS   6   9.753  -3.068   2.891
   39   1HB   HIS   6          1HB       HIS   6   9.436  -2.187   0.166
   40   2HB   HIS   6          2HB       HIS   6  11.137  -2.076   0.610
   41    HD1  HIS   6           HD1      HIS   6  11.703  -4.151  -0.889
   42    HD2  HIS   6           HD2      HIS   6   9.044  -4.964   2.217
   43    HE1  HIS   6           HE1      HIS   6  11.567  -6.674  -0.705
   44    H    ARG   7           H        ARG   7  10.142   0.241   1.693
   45    HA   ARG   7           HA       ARG   7  11.499   1.257   3.902
   46   1HB   ARG   7          1HB       ARG   7  13.219  -0.293   2.105
   47   2HB   ARG   7          2HB       ARG   7  13.776   1.368   2.310
   48   1HG   ARG   7          1HG       ARG   7  14.217   1.092   4.545
   49   2HG   ARG   7          2HG       ARG   7  12.904  -0.065   4.770
   50   1HD   ARG   7          1HD       ARG   7  14.217  -1.855   4.253
   51   2HD   ARG   7          2HD       ARG   7  15.091  -0.981   2.999
   52    HE   ARG   7           HE       ARG   7  16.698  -0.422   4.578
   53   1HH1  ARG   7          1HH1      ARG   7  13.805  -1.548   6.197
   54   2HH1  ARG   7          2HH1      ARG   7  14.552  -1.575   7.757
   55   1HH2  ARG   7          1HH2      ARG   7  17.633  -0.472   6.630
   56   2HH2  ARG   7          2HH2      ARG   7  16.700  -0.971   8.002
   57    HA   PRO   8           HA       PRO   8  10.821   4.827   1.390
   58   1HB   PRO   8          1HB       PRO   8  12.270   6.682   2.769
   59   2HB   PRO   8          2HB       PRO   8  10.733   6.005   3.331
   60   1HG   PRO   8          1HG       PRO   8  13.473   5.493   4.312
   61   2HG   PRO   8          2HG       PRO   8  11.925   5.319   5.152
   62   1HD   PRO   8          1HD       PRO   8  13.494   3.231   3.995
   63   2HD   PRO   8          2HD       PRO   8  11.862   3.088   4.689
   64    H    ASP   9           H        ASP   9  12.553   3.340   0.023
   65    HA   ASP   9           HA       ASP   9  14.673   5.230  -0.813
   66   1HB   ASP   9          1HB       ASP   9  14.768   2.233  -0.534
   67   2HB   ASP   9          2HB       ASP   9  15.863   3.086  -1.622
   68    H    LYS  10           H        LYS  10  13.769   6.149  -2.569
   69    HA   LYS  10           HA       LYS  10  12.617   4.363  -4.626
   70   1HB   LYS  10          1HB       LYS  10  11.683   6.819  -3.517
   71   2HB   LYS  10          2HB       LYS  10  12.114   7.136  -5.196
   72   1HG   LYS  10          1HG       LYS  10  10.563   4.651  -4.590
   73   2HG   LYS  10          2HG       LYS  10   9.709   6.194  -4.547
   74   1HD   LYS  10          1HD       LYS  10   9.977   6.563  -6.807
   75   2HD   LYS  10          2HD       LYS  10  11.502   5.679  -6.878
   76   1HE   LYS  10          1HE       LYS  10  10.169   3.558  -6.476
   77   2HE   LYS  10          2HE       LYS  10   8.710   4.519  -6.716
   78   1HZ   LYS  10          1HZ       LYS  10  10.874   4.608  -8.709
   79   2HZ   LYS  10          2HZ       LYS  10   9.775   3.312  -8.715
   80   3HZ   LYS  10          3HZ       LYS  10   9.213   4.901  -8.913

  No H/Q in entry =          80
  Start of MODEL   35
    1    H1   LEU   1           H1       LEU   1  -5.120  -3.421   1.229
    2    H2   LEU   1           H2       LEU   1  -3.924  -4.348   2.001
    3    H3   LEU   1           H3       LEU   1  -5.481  -4.252   2.666
    4    HA   LEU   1           HA       LEU   1  -5.209  -1.956   3.196
    5   1HB   LEU   1          1HB       LEU   1  -4.007  -3.962   4.516
    6   2HB   LEU   1          2HB       LEU   1  -2.567  -3.063   4.044
    7    HG   LEU   1           HG       LEU   1  -3.348  -2.314   6.247
    8   1HD1  LEU   1          1HD1      LEU   1  -2.348  -0.660   4.650
    9   2HD1  LEU   1          2HD1      LEU   1  -3.981  -0.221   4.145
   10   3HD1  LEU   1          3HD1      LEU   1  -3.461   0.073   5.805
   11   1HD2  LEU   1          1HD2      LEU   1  -5.855  -2.837   5.341
   12   2HD2  LEU   1          2HD2      LEU   1  -5.524  -1.812   6.738
   13   3HD2  LEU   1          3HD2      LEU   1  -5.820  -1.082   5.160
   14    H    GLY   2           H        GLY   2  -4.890  -1.144   0.901
   15   1HA   GLY   2          1HA       GLY   2  -2.684   0.604   0.798
   16   2HA   GLY   2          2HA       GLY   2  -3.765   0.254  -0.546
   17    H    ALA   3           H        ALA   3  -0.700   0.470  -0.069
   18    HA   ALA   3           HA       ALA   3  -0.031  -1.824  -1.788
   19   1HB   ALA   3          1HB       ALA   3   0.629   0.268  -2.757
   20   2HB   ALA   3          2HB       ALA   3   2.100  -0.519  -2.182
   21   3HB   ALA   3          3HB       ALA   3   1.381   0.795  -1.250
   22    H    SER   4           H        SER   4   2.501  -2.324  -1.443
   23    HA   SER   4           HA       SER   4   2.695  -3.195   1.360
   24   1HB   SER   4          1HB       SER   4   3.814  -4.228  -1.222
   25   2HB   SER   4          2HB       SER   4   4.644  -4.592   0.289
   26    HG   SER   4           HG       SER   4   3.182  -6.187   0.101
   27    H    TRP   5           H        TRP   5   4.536  -2.873   2.568
   28    HA   TRP   5           HA       TRP   5   6.194  -0.624   1.657
   29   1HB   TRP   5          1HB       TRP   5   4.790  -0.774   3.929
   30   2HB   TRP   5          2HB       TRP   5   6.279  -1.544   4.483
   31    HD1  TRP   5           HD1      TRP   5   5.231   1.622   2.545
   32    HE1  TRP   5           HE1      TRP   5   6.861   3.527   3.185
   33    HE3  TRP   5           HE3      TRP   5   8.366  -0.928   5.636
   34    HZ2  TRP   5           HZ2      TRP   5   9.204   3.897   4.807
   35    HZ3  TRP   5           HZ3      TRP   5  10.282   0.205   6.719
   36    HH2  TRP   5           HH2      TRP   5  10.707   2.615   6.309
   37    H    HIS   6           H        HIS   6   8.421  -0.579   2.242
   38    HA   HIS   6           HA       HIS   6   9.758  -3.070   2.907
   39   1HB   HIS   6          1HB       HIS   6   9.462  -2.226   0.170
   40   2HB   HIS   6          2HB       HIS   6  11.159  -2.099   0.624
   41    HD1  HIS   6           HD1      HIS   6  12.430  -4.225   0.360
   42    HD2  HIS   6           HD2      HIS   6   8.385  -4.944   1.062
   43    HE1  HIS   6           HE1      HIS   6  12.124  -6.738   0.269
   44    H    ARG   7           H        ARG   7  10.142   0.239   1.698
   45    HA   ARG   7           HA       ARG   7  11.512   1.242   3.912
   46   1HB   ARG   7          1HB       ARG   7  13.209  -0.294   2.093
   47   2HB   ARG   7          2HB       ARG   7  13.759   1.374   2.258
   48   1HG   ARG   7          1HG       ARG   7  14.195   1.155   4.515
   49   2HG   ARG   7          2HG       ARG   7  12.967  -0.088   4.741
   50   1HD   ARG   7          1HD       ARG   7  14.451  -1.748   4.370
   51   2HD   ARG   7          2HD       ARG   7  15.076  -0.967   2.922
   52    HE   ARG   7           HE       ARG   7  16.007   0.334   5.298
   53   1HH1  ARG   7          1HH1      ARG   7  16.491  -2.485   3.280
   54   2HH1  ARG   7          2HH1      ARG   7  18.158  -2.649   3.713
   55   1HH2  ARG   7          1HH2      ARG   7  18.185   0.082   5.836
   56   2HH2  ARG   7          2HH2      ARG   7  19.109  -1.211   5.146
   57    HA   PRO   8           HA       PRO   8  10.806   4.861   1.479
   58   1HB   PRO   8          1HB       PRO   8  12.392   6.670   2.766
   59   2HB   PRO   8          2HB       PRO   8  10.878   6.032   3.426
   60   1HG   PRO   8          1HG       PRO   8  13.666   5.429   4.210
   61   2HG   PRO   8          2HG       PRO   8  12.180   5.322   5.163
   62   1HD   PRO   8          1HD       PRO   8  13.569   3.162   3.934
   63   2HD   PRO   8          2HD       PRO   8  11.968   3.097   4.703
   64    H    ASP   9           H        ASP   9  12.400   3.335   0.003
   65    HA   ASP   9           HA       ASP   9  14.109   3.197  -1.531
   66   1HB   ASP   9          1HB       ASP   9  14.223   5.098  -3.040
   67   2HB   ASP   9          2HB       ASP   9  12.555   4.836  -2.549
   68    H    LYS  10           H        LYS  10  16.066   4.828  -2.445
   69    HA   LYS  10           HA       LYS  10  18.209   5.533  -2.018
   70   1HB   LYS  10          1HB       LYS  10  16.759   7.197  -0.561
   71   2HB   LYS  10          2HB       LYS  10  17.485   6.310   0.779
   72   1HG   LYS  10          1HG       LYS  10  19.296   7.636   0.546
   73   2HG   LYS  10          2HG       LYS  10  19.628   6.786  -0.962
   74   1HD   LYS  10          1HD       LYS  10  17.848   9.231  -0.723
   75   2HD   LYS  10          2HD       LYS  10  19.530   9.265  -1.255
   76   1HE   LYS  10          1HE       LYS  10  18.538   7.328  -2.891
   77   2HE   LYS  10          2HE       LYS  10  17.111   8.347  -2.698
   78   1HZ   LYS  10          1HZ       LYS  10  18.644  10.267  -3.215
   79   2HZ   LYS  10          2HZ       LYS  10  19.779   9.111  -3.725
   80   3HZ   LYS  10          3HZ       LYS  10  18.276   9.232  -4.507

  No H/Q in entry =          80
  Start of MODEL   36
    1    H1   LEU   1           H1       LEU   1  -4.345  -6.397  -7.043
    2    H2   LEU   1           H2       LEU   1  -3.052  -6.402  -8.145
    3    H3   LEU   1           H3       LEU   1  -3.584  -7.859  -7.456
    4    HA   LEU   1           HA       LEU   1  -2.715  -7.355  -5.369
    5   1HB   LEU   1          1HB       LEU   1  -0.849  -6.298  -7.512
    6   2HB   LEU   1          2HB       LEU   1  -0.350  -6.706  -5.869
    7    HG   LEU   1           HG       LEU   1  -1.645  -8.987  -6.514
    8   1HD1  LEU   1          1HD1      LEU   1  -0.800  -7.668  -9.075
    9   2HD1  LEU   1          2HD1      LEU   1  -0.675  -9.422  -8.930
   10   3HD1  LEU   1          3HD1      LEU   1  -2.240  -8.631  -8.738
   11   1HD2  LEU   1          1HD2      LEU   1   0.683  -8.765  -5.681
   12   2HD2  LEU   1          2HD2      LEU   1   0.577  -9.934  -6.997
   13   3HD2  LEU   1          3HD2      LEU   1   1.210  -8.318  -7.303
   14    H    GLY   2           H        GLY   2  -1.384  -5.704  -4.089
   15   1HA   GLY   2          1HA       GLY   2  -2.355  -3.721  -2.918
   16   2HA   GLY   2          2HA       GLY   2  -2.497  -2.987  -4.513
   17    H    ALA   3           H        ALA   3  -0.337  -3.887  -1.928
   18    HA   ALA   3           HA       ALA   3   2.131  -3.270  -3.157
   19   1HB   ALA   3          1HB       ALA   3   2.447  -1.030  -1.934
   20   2HB   ALA   3          2HB       ALA   3   0.687  -0.980  -1.835
   21   3HB   ALA   3          3HB       ALA   3   1.481  -1.015  -3.409
   22    H    SER   4           H        SER   4   3.882  -3.009  -1.581
   23    HA   SER   4           HA       SER   4   3.177  -3.905   1.148
   24   1HB   SER   4          1HB       SER   4   4.004  -5.800  -0.377
   25   2HB   SER   4          2HB       SER   4   5.565  -4.985  -0.350
   26    HG   SER   4           HG       SER   4   4.069  -5.860   1.905
   27    H    TRP   5           H        TRP   5   4.696  -3.384   2.749
   28    HA   TRP   5           HA       TRP   5   6.028  -0.866   2.250
   29   1HB   TRP   5          1HB       TRP   5   4.739  -1.822   4.405
   30   2HB   TRP   5          2HB       TRP   5   6.386  -2.281   4.837
   31    HD1  TRP   5           HD1      TRP   5   4.450   0.849   3.657
   32    HE1  TRP   5           HE1      TRP   5   5.582   2.925   4.694
   33    HE3  TRP   5           HE3      TRP   5   8.361  -1.388   6.025
   34    HZ2  TRP   5           HZ2      TRP   5   7.865   3.546   6.318
   35    HZ3  TRP   5           HZ3      TRP   5   9.994  -0.049   7.310
   36    HH2  TRP   5           HH2      TRP   5   9.755   2.415   7.462
   37    H    HIS   6           H        HIS   6   8.022  -0.705   1.546
   38    HA   HIS   6           HA       HIS   6   9.950  -2.876   2.134
   39   1HB   HIS   6          1HB       HIS   6   9.297  -1.408  -0.333
   40   2HB   HIS   6          2HB       HIS   6  11.022  -1.540  -0.007
   41    HD1  HIS   6           HD1      HIS   6  11.627  -4.207   0.862
   42    HD2  HIS   6           HD2      HIS   6   8.409  -3.604  -1.721
   43    HE1  HIS   6           HE1      HIS   6  11.156  -6.443  -0.232
   44    H    ARG   7           H        ARG   7   9.281   0.482   2.425
   45    HA   ARG   7           HA       ARG   7  10.325   1.990   3.873
   46   1HB   ARG   7          1HB       ARG   7  12.928   0.490   3.470
   47   2HB   ARG   7          2HB       ARG   7  12.622   1.804   4.600
   48   1HG   ARG   7          1HG       ARG   7  11.521   0.472   6.073
   49   2HG   ARG   7          2HG       ARG   7  10.796  -0.517   4.807
   50   1HD   ARG   7          1HD       ARG   7  12.871  -1.724   4.488
   51   2HD   ARG   7          2HD       ARG   7  13.722  -0.640   5.582
   52    HE   ARG   7           HE       ARG   7  11.542  -1.857   6.936
   53   1HH1  ARG   7          1HH1      ARG   7  14.715  -2.590   5.652
   54   2HH1  ARG   7          2HH1      ARG   7  15.005  -3.864   6.785
   55   1HH2  ARG   7          1HH2      ARG   7  11.961  -3.528   8.396
   56   2HH2  ARG   7          2HH2      ARG   7  13.460  -4.392   8.324
   57    HA   PRO   8           HA       PRO   8  11.807   4.430   0.489
   58   1HB   PRO   8          1HB       PRO   8  12.372   6.735   1.830
   59   2HB   PRO   8          2HB       PRO   8  10.732   6.171   1.475
   60   1HG   PRO   8          1HG       PRO   8  12.181   6.210   4.051
   61   2HG   PRO   8          2HG       PRO   8  10.440   6.232   3.737
   62   1HD   PRO   8          1HD       PRO   8  12.005   3.981   4.527
   63   2HD   PRO   8          2HD       PRO   8  10.298   3.976   4.028
   64    H    ASP   9           H        ASP   9  13.787   2.675   1.323
   65    HA   ASP   9           HA       ASP   9  16.210   4.336   1.587
   66   1HB   ASP   9          1HB       ASP   9  17.341   2.236   2.265
   67   2HB   ASP   9          2HB       ASP   9  15.997   2.640   3.330
   68    H    LYS  10           H        LYS  10  17.276   4.714  -0.229
   69    HA   LYS  10           HA       LYS  10  16.740   3.396  -2.684
   70   1HB   LYS  10          1HB       LYS  10  19.008   5.193  -1.809
   71   2HB   LYS  10          2HB       LYS  10  18.845   4.577  -3.455
   72   1HG   LYS  10          1HG       LYS  10  16.965   5.848  -3.895
   73   2HG   LYS  10          2HG       LYS  10  16.461   5.877  -2.204
   74   1HD   LYS  10          1HD       LYS  10  18.951   7.299  -3.159
   75   2HD   LYS  10          2HD       LYS  10  17.368   8.078  -3.162
   76   1HE   LYS  10          1HE       LYS  10  17.176   7.977  -0.817
   77   2HE   LYS  10          2HE       LYS  10  18.411   6.726  -0.679
   78   1HZ   LYS  10          1HZ       LYS  10  18.948   9.489  -1.620
   79   2HZ   LYS  10          2HZ       LYS  10  19.167   8.977  -0.018
   80   3HZ   LYS  10          3HZ       LYS  10  20.093   8.286  -1.263

  No H/Q in entry =          80
  Start of MODEL   37
    1    H1   LEU   1           H1       LEU   1  -6.196  -1.738  -2.600
    2    H2   LEU   1           H2       LEU   1  -7.135  -0.340  -2.403
    3    H3   LEU   1           H3       LEU   1  -5.462  -0.208  -2.658
    4    HA   LEU   1           HA       LEU   1  -5.527   0.100  -0.414
    5   1HB   LEU   1          1HB       LEU   1  -7.138  -1.120   1.049
    6   2HB   LEU   1          2HB       LEU   1  -7.942  -0.149  -0.183
    7    HG   LEU   1           HG       LEU   1  -7.508  -2.644  -1.415
    8   1HD1  LEU   1          1HD1      LEU   1  -7.255  -3.164   1.254
    9   2HD1  LEU   1          2HD1      LEU   1  -8.994  -3.363   1.042
   10   3HD1  LEU   1          3HD1      LEU   1  -7.873  -4.325   0.080
   11   1HD2  LEU   1          1HD2      LEU   1  -9.812  -1.091  -0.329
   12   2HD2  LEU   1          2HD2      LEU   1  -9.515  -1.663  -1.972
   13   3HD2  LEU   1          3HD2      LEU   1 -10.110  -2.780  -0.743
   14    H    GLY   2           H        GLY   2  -4.077  -1.740  -2.136
   15   1HA   GLY   2          1HA       GLY   2  -3.219  -4.035  -1.952
   16   2HA   GLY   2          2HA       GLY   2  -3.445  -3.902  -0.211
   17    H    ALA   3           H        ALA   3  -1.265  -3.600  -2.751
   18    HA   ALA   3           HA       ALA   3   0.938  -2.946  -2.881
   19   1HB   ALA   3          1HB       ALA   3   0.438  -0.800  -0.847
   20   2HB   ALA   3          2HB       ALA   3   1.453  -0.757  -2.288
   21   3HB   ALA   3          3HB       ALA   3  -0.302  -0.678  -2.443
   22    H    SER   4           H        SER   4   2.832  -2.156  -1.234
   23    HA   SER   4           HA       SER   4   2.649  -3.388   1.377
   24   1HB   SER   4          1HB       SER   4   3.257  -5.139  -0.623
   25   2HB   SER   4          2HB       SER   4   4.865  -4.585  -0.166
   26    HG   SER   4           HG       SER   4   2.870  -5.511   1.636
   27    H    TRP   5           H        TRP   5   4.562  -3.082   2.642
   28    HA   TRP   5           HA       TRP   5   6.074  -0.727   1.753
   29   1HB   TRP   5          1HB       TRP   5   4.703  -1.026   4.032
   30   2HB   TRP   5          2HB       TRP   5   6.241  -1.714   4.556
   31    HD1  TRP   5           HD1      TRP   5   4.914   1.459   2.816
   32    HE1  TRP   5           HE1      TRP   5   6.442   3.435   3.483
   33    HE3  TRP   5           HE3      TRP   5   8.385  -1.028   5.590
   34    HZ2  TRP   5           HZ2      TRP   5   8.837   3.884   5.004
   35    HZ3  TRP   5           HZ3      TRP   5  10.271   0.180   6.637
   36    HH2  TRP   5           HH2      TRP   5  10.505   2.632   6.349
   37    H    HIS   6           H        HIS   6   8.305  -0.587   2.118
   38    HA   HIS   6           HA       HIS   6   9.760  -3.052   2.735
   39   1HB   HIS   6          1HB       HIS   6   9.390  -2.131   0.069
   40   2HB   HIS   6          2HB       HIS   6  11.061  -1.773   0.499
   41    HD1  HIS   6           HD1      HIS   6  12.181  -3.672  -0.788
   42    HD2  HIS   6           HD2      HIS   6   9.186  -5.013   1.782
   43    HE1  HIS   6           HE1      HIS   6  12.364  -6.198  -0.733
   44    H    ARG   7           H        ARG   7  10.148   0.302   1.638
   45    HA   ARG   7           HA       ARG   7  11.306   1.373   3.907
   46   1HB   ARG   7          1HB       ARG   7  13.206  -0.255   2.362
   47   2HB   ARG   7          2HB       ARG   7  13.765   1.393   2.643
   48   1HG   ARG   7          1HG       ARG   7  13.946   1.091   4.901
   49   2HG   ARG   7          2HG       ARG   7  12.538   0.034   4.977
   50   1HD   ARG   7          1HD       ARG   7  14.734  -1.106   5.466
   51   2HD   ARG   7          2HD       ARG   7  13.804  -1.844   4.177
   52    HE   ARG   7           HE       ARG   7  16.267  -0.250   3.865
   53   1HH1  ARG   7          1HH1      ARG   7  13.746  -2.195   2.378
   54   2HH1  ARG   7          2HH1      ARG   7  14.660  -2.461   0.940
   55   1HH2  ARG   7          1HH2      ARG   7  17.397  -0.622   1.965
   56   2HH2  ARG   7          2HH2      ARG   7  16.698  -1.578   0.700
   57    HA   PRO   8           HA       PRO   8  11.007   4.822   1.154
   58   1HB   PRO   8          1HB       PRO   8  12.191   6.746   2.682
   59   2HB   PRO   8          2HB       PRO   8  10.588   6.067   3.008
   60   1HG   PRO   8          1HG       PRO   8  13.127   5.642   4.453
   61   2HG   PRO   8          2HG       PRO   8  11.462   5.458   5.025
   62   1HD   PRO   8          1HD       PRO   8  13.247   3.375   4.205
   63   2HD   PRO   8          2HD       PRO   8  11.534   3.211   4.652
   64    H    ASP   9           H        ASP   9  12.967   3.300   0.169
   65    HA   ASP   9           HA       ASP   9  15.535   4.601   0.098
   66   1HB   ASP   9          1HB       ASP   9  14.295   2.249  -1.266
   67   2HB   ASP   9          2HB       ASP   9  15.729   2.978  -1.987
   68    H    LYS  10           H        LYS  10  14.941   6.741  -0.527
   69    HA   LYS  10           HA       LYS  10  14.109   7.007  -3.352
   70   1HB   LYS  10          1HB       LYS  10  12.961   8.202  -1.209
   71   2HB   LYS  10          2HB       LYS  10  14.178   9.411  -1.616
   72   1HG   LYS  10          1HG       LYS  10  12.309  10.033  -2.921
   73   2HG   LYS  10          2HG       LYS  10  13.336   9.149  -4.051
   74   1HD   LYS  10          1HD       LYS  10  11.890   7.381  -4.192
   75   2HD   LYS  10          2HD       LYS  10  11.407   7.507  -2.501
   76   1HE   LYS  10          1HE       LYS  10   9.723   8.998  -2.950
   77   2HE   LYS  10          2HE       LYS  10  10.600   9.748  -4.285
   78   1HZ   LYS  10          1HZ       LYS  10   9.631   6.978  -4.522
   79   2HZ   LYS  10          2HZ       LYS  10   8.566   8.271  -4.787
   80   3HZ   LYS  10          3HZ       LYS  10   9.958   8.108  -5.748

  No H/Q in entry =          80
  Start of MODEL   38
    1    H1   LEU   1           H1       LEU   1  -4.302  -0.985  -0.550
    2    H2   LEU   1           H2       LEU   1  -5.767  -0.132  -0.446
    3    H3   LEU   1           H3       LEU   1  -5.738  -1.810  -0.187
    4    HA   LEU   1           HA       LEU   1  -5.450  -2.308  -2.407
    5   1HB   LEU   1          1HB       LEU   1  -7.122   0.217  -2.230
    6   2HB   LEU   1          2HB       LEU   1  -7.119  -0.877  -3.614
    7    HG   LEU   1           HG       LEU   1  -7.603  -2.006  -0.880
    8   1HD1  LEU   1          1HD1      LEU   1  -9.084   0.053  -1.267
    9   2HD1  LEU   1          2HD1      LEU   1  -9.824  -0.860  -2.583
   10   3HD1  LEU   1          3HD1      LEU   1  -9.922  -1.461  -0.927
   11   1HD2  LEU   1          1HD2      LEU   1  -8.538  -2.638  -3.696
   12   2HD2  LEU   1          2HD2      LEU   1  -7.367  -3.549  -2.743
   13   3HD2  LEU   1          3HD2      LEU   1  -9.064  -3.519  -2.262
   14    H    GLY   2           H        GLY   2  -3.036  -1.378  -2.047
   15   1HA   GLY   2          1HA       GLY   2  -1.933   0.881  -2.894
   16   2HA   GLY   2          2HA       GLY   2  -2.540   0.256  -4.425
   17    H    ALA   3           H        ALA   3  -0.261  -0.210  -1.816
   18    HA   ALA   3           HA       ALA   3   0.958  -2.532  -3.107
   19   1HB   ALA   3          1HB       ALA   3   1.875  -0.307  -4.109
   20   2HB   ALA   3          2HB       ALA   3   3.020  -1.551  -3.608
   21   3HB   ALA   3          3HB       ALA   3   2.720  -0.158  -2.568
   22    H    SER   4           H        SER   4   3.322  -2.645  -1.809
   23    HA   SER   4           HA       SER   4   2.560  -2.638   1.051
   24   1HB   SER   4          1HB       SER   4   4.242  -4.599  -0.519
   25   2HB   SER   4          2HB       SER   4   4.223  -4.542   1.242
   26    HG   SER   4           HG       SER   4   2.356  -5.497  -0.526
   27    H    TRP   5           H        TRP   5   4.455  -2.613   2.506
   28    HA   TRP   5           HA       TRP   5   6.252  -0.474   1.655
   29   1HB   TRP   5          1HB       TRP   5   4.855  -0.701   3.903
   30   2HB   TRP   5          2HB       TRP   5   6.288  -1.593   4.415
   31    HD1  TRP   5           HD1      TRP   5   5.401   1.797   2.790
   32    HE1  TRP   5           HE1      TRP   5   7.148   3.537   3.566
   33    HE3  TRP   5           HE3      TRP   5   8.461  -1.210   5.534
   34    HZ2  TRP   5           HZ2      TRP   5   9.541   3.623   5.151
   35    HZ3  TRP   5           HZ3      TRP   5  10.457  -0.289   6.665
   36    HH2  TRP   5           HH2      TRP   5  11.005   2.123   6.480
   37    H    HIS   6           H        HIS   6   8.499  -0.604   2.664
   38    HA   HIS   6           HA       HIS   6   9.757  -3.065   3.135
   39   1HB   HIS   6          1HB       HIS   6   9.205  -2.968   0.520
   40   2HB   HIS   6          2HB       HIS   6  10.682  -2.006   0.505
   41    HD1  HIS   6           HD1      HIS   6  11.262  -4.460  -0.884
   42    HD2  HIS   6           HD2      HIS   6  11.192  -4.425   3.279
   43    HE1  HIS   6           HE1      HIS   6  12.585  -6.489  -0.134
   44    H    ARG   7           H        ARG   7  10.095   0.181   1.792
   45    HA   ARG   7           HA       ARG   7  11.766   1.137   3.828
   46   1HB   ARG   7          1HB       ARG   7  13.162  -0.331   1.715
   47   2HB   ARG   7          2HB       ARG   7  13.742   1.327   1.878
   48   1HG   ARG   7          1HG       ARG   7  14.560   0.982   3.992
   49   2HG   ARG   7          2HG       ARG   7  13.304  -0.184   4.403
   50   1HD   ARG   7          1HD       ARG   7  14.441  -1.958   3.446
   51   2HD   ARG   7          2HD       ARG   7  15.286  -0.929   2.293
   52    HE   ARG   7           HE       ARG   7  16.982  -0.685   3.851
   53   1HH1  ARG   7          1HH1      ARG   7  14.082  -1.795   5.467
   54   2HH1  ARG   7          2HH1      ARG   7  14.879  -2.021   6.986
   55   1HH2  ARG   7          1HH2      ARG   7  17.981  -0.992   5.848
   56   2HH2  ARG   7          2HH2      ARG   7  17.067  -1.570   7.202
   57    HA   PRO   8           HA       PRO   8  10.666   4.806   1.634
   58   1HB   PRO   8          1HB       PRO   8  12.300   6.612   2.862
   59   2HB   PRO   8          2HB       PRO   8  10.876   5.884   3.622
   60   1HG   PRO   8          1HG       PRO   8  13.739   5.372   4.137
   61   2HG   PRO   8          2HG       PRO   8  12.342   5.124   5.195
   62   1HD   PRO   8          1HD       PRO   8  13.735   3.131   3.692
   63   2HD   PRO   8          2HD       PRO   8  12.241   2.916   4.631
   64    H    ASP   9           H        ASP   9  12.165   3.422  -0.066
   65    HA   ASP   9           HA       ASP   9  13.904   5.463  -1.281
   66   1HB   ASP   9          1HB       ASP   9  14.662   2.539  -1.046
   67   2HB   ASP   9          2HB       ASP   9  15.592   3.797  -1.861
   68    H    LYS  10           H        LYS  10  13.290   5.828  -3.301
   69    HA   LYS  10           HA       LYS  10  12.349   5.561  -5.382
   70   1HB   LYS  10          1HB       LYS  10  13.427   2.864  -4.744
   71   2HB   LYS  10          2HB       LYS  10  12.264   2.965  -6.066
   72   1HG   LYS  10          1HG       LYS  10  14.533   4.931  -5.934
   73   2HG   LYS  10          2HG       LYS  10  14.818   3.310  -6.569
   74   1HD   LYS  10          1HD       LYS  10  12.529   3.944  -7.892
   75   2HD   LYS  10          2HD       LYS  10  13.251   5.545  -7.729
   76   1HE   LYS  10          1HE       LYS  10  14.242   4.832  -9.704
   77   2HE   LYS  10          2HE       LYS  10  15.440   4.294  -8.527
   78   1HZ   LYS  10          1HZ       LYS  10  14.268   2.125  -8.493
   79   2HZ   LYS  10          2HZ       LYS  10  13.297   2.664  -9.775
   80   3HZ   LYS  10          3HZ       LYS  10  14.973   2.496  -9.993

  No H/Q in entry =          80
  Start of MODEL   39
    1    H1   LEU   1           H1       LEU   1  -4.956  -6.725  -1.801
    2    H2   LEU   1           H2       LEU   1  -4.519  -7.693  -0.479
    3    H3   LEU   1           H3       LEU   1  -5.089  -6.114  -0.221
    4    HA   LEU   1           HA       LEU   1  -2.808  -5.900   0.050
    5   1HB   LEU   1          1HB       LEU   1  -2.754  -8.247  -1.490
    6   2HB   LEU   1          2HB       LEU   1  -1.879  -7.067  -2.460
    7    HG   LEU   1           HG       LEU   1  -0.351  -8.260  -0.937
    8   1HD1  LEU   1          1HD1      LEU   1  -0.191  -5.713  -1.490
    9   2HD1  LEU   1          2HD1      LEU   1  -0.649  -5.489   0.199
   10   3HD1  LEU   1          3HD1      LEU   1   0.826  -6.367  -0.205
   11   1HD2  LEU   1          1HD2      LEU   1  -2.392  -8.341   0.824
   12   2HD2  LEU   1          2HD2      LEU   1  -0.707  -8.496   1.323
   13   3HD2  LEU   1          3HD2      LEU   1  -1.529  -6.942   1.461
   14    H    GLY   2           H        GLY   2  -2.931  -3.757  -0.315
   15   1HA   GLY   2          1HA       GLY   2  -3.606  -1.859  -1.648
   16   2HA   GLY   2          2HA       GLY   2  -3.271  -2.808  -3.093
   17    H    ALA   3           H        ALA   3  -1.678  -1.432  -0.221
   18    HA   ALA   3           HA       ALA   3   0.690  -0.885  -1.913
   19   1HB   ALA   3          1HB       ALA   3  -0.449   0.646   0.434
   20   2HB   ALA   3          2HB       ALA   3  -0.297   1.195  -1.235
   21   3HB   ALA   3          3HB       ALA   3   1.146   0.961  -0.251
   22    H    SER   4           H        SER   4   2.496  -1.911  -1.393
   23    HA   SER   4           HA       SER   4   2.705  -3.133   1.290
   24   1HB   SER   4          1HB       SER   4   4.590  -3.919  -0.869
   25   2HB   SER   4          2HB       SER   4   3.824  -4.906   0.371
   26    HG   SER   4           HG       SER   4   1.878  -4.735  -0.811
   27    H    TRP   5           H        TRP   5   4.536  -2.868   2.514
   28    HA   TRP   5           HA       TRP   5   6.193  -0.569   1.739
   29   1HB   TRP   5          1HB       TRP   5   4.831  -0.904   4.027
   30   2HB   TRP   5          2HB       TRP   5   6.344  -1.684   4.489
   31    HD1  TRP   5           HD1      TRP   5   5.182   1.605   2.836
   32    HE1  TRP   5           HE1      TRP   5   6.806   3.482   3.565
   33    HE3  TRP   5           HE3      TRP   5   8.475  -1.123   5.601
   34    HZ2  TRP   5           HZ2      TRP   5   9.203   3.770   5.123
   35    HZ3  TRP   5           HZ3      TRP   5  10.411  -0.039   6.697
   36    HH2  TRP   5           HH2      TRP   5  10.781   2.403   6.464
   37    H    HIS   6           H        HIS   6   8.434  -0.580   2.441
   38    HA   HIS   6           HA       HIS   6   9.780  -3.087   2.887
   39   1HB   HIS   6          1HB       HIS   6   9.355  -2.231   0.193
   40   2HB   HIS   6          2HB       HIS   6  11.063  -2.003   0.558
   41    HD1  HIS   6           HD1      HIS   6  11.974  -4.029  -0.701
   42    HD2  HIS   6           HD2      HIS   6   8.967  -5.034   2.006
   43    HE1  HIS   6           HE1      HIS   6  11.938  -6.559  -0.576
   44    H    ARG   7           H        ARG   7  10.119   0.241   1.740
   45    HA   ARG   7           HA       ARG   7  11.527   1.243   3.916
   46   1HB   ARG   7          1HB       ARG   7  13.212  -0.269   2.049
   47   2HB   ARG   7          2HB       ARG   7  13.766   1.387   2.282
   48   1HG   ARG   7          1HG       ARG   7  14.272   1.059   4.489
   49   2HG   ARG   7          2HG       ARG   7  12.953  -0.087   4.729
   50   1HD   ARG   7          1HD       ARG   7  14.722  -1.309   2.889
   51   2HD   ARG   7          2HD       ARG   7  15.732  -0.619   4.156
   52    HE   ARG   7           HE       ARG   7  13.463  -2.089   5.171
   53   1HH1  ARG   7          1HH1      ARG   7  16.767  -2.320   4.038
   54   2HH1  ARG   7          2HH1      ARG   7  17.077  -3.788   4.895
   55   1HH2  ARG   7          1HH2      ARG   7  13.911  -4.008   6.272
   56   2HH2  ARG   7          2HH2      ARG   7  15.477  -4.738   6.148
   57    HA   PRO   8           HA       PRO   8  10.786   4.845   1.459
   58   1HB   PRO   8          1HB       PRO   8  12.350   6.673   2.746
   59   2HB   PRO   8          2HB       PRO   8  10.835   6.028   3.399
   60   1HG   PRO   8          1HG       PRO   8  13.622   5.446   4.204
   61   2HG   PRO   8          2HG       PRO   8  12.130   5.343   5.151
   62   1HD   PRO   8          1HD       PRO   8  13.532   3.175   3.959
   63   2HD   PRO   8          2HD       PRO   8  11.918   3.116   4.705
   64    H    ASP   9           H        ASP   9  12.414   3.321   0.001
   65    HA   ASP   9           HA       ASP   9  14.622   5.089  -0.868
   66   1HB   ASP   9          1HB       ASP   9  14.330   2.085  -1.058
   67   2HB   ASP   9          2HB       ASP   9  15.572   2.998  -1.916
   68    H    LYS  10           H        LYS  10  14.012   6.226  -2.588
   69    HA   LYS  10           HA       LYS  10  12.700   4.801  -4.810
   70   1HB   LYS  10          1HB       LYS  10  11.802   7.382  -3.536
   71   2HB   LYS  10          2HB       LYS  10  11.393   6.979  -5.203
   72   1HG   LYS  10          1HG       LYS  10  10.821   4.649  -3.719
   73   2HG   LYS  10          2HG       LYS  10  10.217   5.983  -2.739
   74   1HD   LYS  10          1HD       LYS  10   9.597   5.639  -5.686
   75   2HD   LYS  10          2HD       LYS  10   8.534   5.099  -4.384
   76   1HE   LYS  10          1HE       LYS  10   9.516   7.940  -4.425
   77   2HE   LYS  10          2HE       LYS  10   8.154   7.468  -5.441
   78   1HZ   LYS  10          1HZ       LYS  10   7.272   6.410  -3.284
   79   2HZ   LYS  10          2HZ       LYS  10   8.370   7.446  -2.504
   80   3HZ   LYS  10          3HZ       LYS  10   7.140   8.089  -3.484

  No H/Q in entry =          80
  Start of MODEL   40
    1    H1   LEU   1           H1       LEU   1  -2.049  -9.311  -3.629
    2    H2   LEU   1           H2       LEU   1  -0.941 -10.540  -3.247
    3    H3   LEU   1           H3       LEU   1  -2.068 -10.017  -2.088
    4    HA   LEU   1           HA       LEU   1  -0.991  -8.006  -1.732
    5   1HB   LEU   1          1HB       LEU   1   0.785 -10.384  -2.037
    6   2HB   LEU   1          2HB       LEU   1   1.562  -8.821  -1.779
    7    HG   LEU   1           HG       LEU   1  -0.760  -9.493  -0.033
    8   1HD1  LEU   1          1HD1      LEU   1   1.826 -10.981  -0.106
    9   2HD1  LEU   1          2HD1      LEU   1   1.195 -10.534   1.478
   10   3HD1  LEU   1          3HD1      LEU   1   0.227 -11.532   0.392
   11   1HD2  LEU   1          1HD2      LEU   1   1.905  -8.082   0.269
   12   2HD2  LEU   1          2HD2      LEU   1   0.298  -7.356   0.272
   13   3HD2  LEU   1          3HD2      LEU   1   0.811  -8.366   1.624
   14    H    GLY   2           H        GLY   2   0.184  -6.256  -2.493
   15   1HA   GLY   2          1HA       GLY   2   0.081  -5.420  -5.038
   16   2HA   GLY   2          2HA       GLY   2   1.541  -6.405  -5.067
   17    H    ALA   3           H        ALA   3   0.006  -3.836  -3.125
   18    HA   ALA   3           HA       ALA   3   2.526  -2.342  -3.151
   19   1HB   ALA   3          1HB       ALA   3   0.002  -1.389  -1.834
   20   2HB   ALA   3          2HB       ALA   3   0.154  -1.351  -3.591
   21   3HB   ALA   3          3HB       ALA   3   1.288  -0.445  -2.587
   22    H    SER   4           H        SER   4   3.826  -3.407  -1.689
   23    HA   SER   4           HA       SER   4   2.913  -3.301   1.125
   24   1HB   SER   4          1HB       SER   4   4.760  -5.369  -0.098
   25   2HB   SER   4          2HB       SER   4   4.271  -5.284   1.592
   26    HG   SER   4           HG       SER   4   2.853  -6.091  -0.663
   27    H    TRP   5           H        TRP   5   4.197  -2.367   2.531
   28    HA   TRP   5           HA       TRP   5   6.214  -0.624   1.685
   29   1HB   TRP   5          1HB       TRP   5   4.749  -0.796   3.917
   30   2HB   TRP   5          2HB       TRP   5   6.231  -1.550   4.508
   31    HD1  TRP   5           HD1      TRP   5   5.157   1.626   2.605
   32    HE1  TRP   5           HE1      TRP   5   6.760   3.543   3.276
   33    HE3  TRP   5           HE3      TRP   5   8.340  -0.932   5.647
   34    HZ2  TRP   5           HZ2      TRP   5   9.102   3.919   4.901
   35    HZ3  TRP   5           HZ3      TRP   5  10.239   0.211   6.742
   36    HH2  TRP   5           HH2      TRP   5  10.627   2.633   6.375
   37    H    HIS   6           H        HIS   6   8.411  -0.594   2.125
   38    HA   HIS   6           HA       HIS   6   9.754  -3.077   2.867
   39   1HB   HIS   6          1HB       HIS   6   9.597  -2.012   0.137
   40   2HB   HIS   6          2HB       HIS   6  11.251  -2.247   0.691
   41    HD1  HIS   6           HD1      HIS   6  11.954  -4.694   1.355
   42    HD2  HIS   6           HD2      HIS   6   8.129  -4.389  -0.275
   43    HE1  HIS   6           HE1      HIS   6  11.229  -7.052   0.783
   44    H    ARG   7           H        ARG   7  10.149   0.235   1.674
   45    HA   ARG   7           HA       ARG   7  11.449   1.265   3.908
   46   1HB   ARG   7          1HB       ARG   7  13.216  -0.295   2.175
   47   2HB   ARG   7          2HB       ARG   7  13.761   1.373   2.354
   48   1HG   ARG   7          1HG       ARG   7  14.111   1.165   4.621
   49   2HG   ARG   7          2HG       ARG   7  12.857  -0.060   4.810
   50   1HD   ARG   7          1HD       ARG   7  14.321  -1.681   3.600
   51   2HD   ARG   7          2HD       ARG   7  15.588  -0.459   3.558
   52    HE   ARG   7           HE       ARG   7  14.975  -0.631   6.207
   53   1HH1  ARG   7          1HH1      ARG   7  15.813  -2.997   3.768
   54   2HH1  ARG   7          2HH1      ARG   7  16.546  -4.076   4.904
   55   1HH2  ARG   7          1HH2      ARG   7  15.939  -2.066   7.655
   56   2HH2  ARG   7          2HH2      ARG   7  16.616  -3.556   7.086
   57    HA   PRO   8           HA       PRO   8  10.827   4.838   1.388
   58   1HB   PRO   8          1HB       PRO   8  12.298   6.683   2.757
   59   2HB   PRO   8          2HB       PRO   8  10.754   6.028   3.323
   60   1HG   PRO   8          1HG       PRO   8  13.491   5.483   4.299
   61   2HG   PRO   8          2HG       PRO   8  11.944   5.347   5.148
   62   1HD   PRO   8          1HD       PRO   8  13.465   3.215   4.019
   63   2HD   PRO   8          2HD       PRO   8  11.823   3.114   4.697
   64    H    ASP   9           H        ASP   9  12.535   3.332   0.021
   65    HA   ASP   9           HA       ASP   9  14.870   5.022  -0.635
   66   1HB   ASP   9          1HB       ASP   9  15.716   3.000  -1.831
   67   2HB   ASP   9          2HB       ASP   9  15.491   2.738  -0.101
   68    H    LYS  10           H        LYS  10  15.480   4.840  -3.041
   69    HA   LYS  10           HA       LYS  10  13.094   4.855  -4.769
   70   1HB   LYS  10          1HB       LYS  10  15.022   7.121  -4.338
   71   2HB   LYS  10          2HB       LYS  10  14.195   6.931  -5.884
   72   1HG   LYS  10          1HG       LYS  10  12.042   7.123  -4.864
   73   2HG   LYS  10          2HG       LYS  10  12.719   6.955  -3.244
   74   1HD   LYS  10          1HD       LYS  10  13.762   9.102  -3.351
   75   2HD   LYS  10          2HD       LYS  10  13.465   9.235  -5.086
   76   1HE   LYS  10          1HE       LYS  10  10.957   9.052  -4.465
   77   2HE   LYS  10          2HE       LYS  10  11.480   9.427  -2.823
   78   1HZ   LYS  10          1HZ       LYS  10  12.708  11.363  -3.916
   79   2HZ   LYS  10          2HZ       LYS  10  11.701  11.085  -5.254
   80   3HZ   LYS  10          3HZ       LYS  10  11.025  11.488  -3.749

  No H/Q in entry =          80
  Start of MODEL   41
    1    H1   LEU   1           H1       LEU   1   4.596  -3.555  -6.940
    2    H2   LEU   1           H2       LEU   1   4.806  -2.930  -8.505
    3    H3   LEU   1           H3       LEU   1   6.131  -3.042  -7.452
    4    HA   LEU   1           HA       LEU   1   5.297  -1.352  -6.045
    5   1HB   LEU   1          1HB       LEU   1   5.490  -0.912  -8.965
    6   2HB   LEU   1          2HB       LEU   1   4.668   0.372  -8.078
    7    HG   LEU   1           HG       LEU   1   6.745   0.028  -6.423
    8   1HD1  LEU   1          1HD1      LEU   1   7.487  -1.787  -8.228
    9   2HD1  LEU   1          2HD1      LEU   1   8.149  -0.364  -9.034
   10   3HD1  LEU   1          3HD1      LEU   1   8.677  -0.780  -7.403
   11   1HD2  LEU   1          1HD2      LEU   1   5.917   1.987  -8.078
   12   2HD2  LEU   1          2HD2      LEU   1   7.450   2.073  -7.209
   13   3HD2  LEU   1          3HD2      LEU   1   7.418   1.551  -8.894
   14    H    GLY   2           H        GLY   2   3.589  -0.187  -5.216
   15   1HA   GLY   2          1HA       GLY   2   0.913  -1.042  -6.123
   16   2HA   GLY   2          2HA       GLY   2   1.248   0.670  -5.879
   17    H    ALA   3           H        ALA   3   2.065  -2.286  -4.055
   18    HA   ALA   3           HA       ALA   3   1.101  -0.957  -1.603
   19   1HB   ALA   3          1HB       ALA   3  -0.571  -2.654  -2.671
   20   2HB   ALA   3          2HB       ALA   3   0.545  -3.873  -2.056
   21   3HB   ALA   3          3HB       ALA   3  -0.238  -2.752  -0.942
   22    H    SER   4           H        SER   4   1.522  -3.029   0.154
   23    HA   SER   4           HA       SER   4   3.130  -4.033   1.420
   24   1HB   SER   4          1HB       SER   4   4.643  -5.461   0.376
   25   2HB   SER   4          2HB       SER   4   3.392  -5.301  -0.850
   26    HG   SER   4           HG       SER   4   5.164  -4.834  -1.970
   27    H    TRP   5           H        TRP   5   4.638  -3.305   2.707
   28    HA   TRP   5           HA       TRP   5   6.010  -0.829   1.929
   29   1HB   TRP   5          1HB       TRP   5   4.615  -1.376   4.183
   30   2HB   TRP   5          2HB       TRP   5   6.234  -1.834   4.711
   31    HD1  TRP   5           HD1      TRP   5   4.364   1.147   3.156
   32    HE1  TRP   5           HE1      TRP   5   5.610   3.313   3.830
   33    HE3  TRP   5           HE3      TRP   5   8.365  -0.871   5.566
   34    HZ2  TRP   5           HZ2      TRP   5   8.012   4.071   5.220
   35    HZ3  TRP   5           HZ3      TRP   5  10.106   0.571   6.558
   36    HH2  TRP   5           HH2      TRP   5   9.941   3.040   6.389
   37    H    HIS   6           H        HIS   6   8.130  -0.692   1.679
   38    HA   HIS   6           HA       HIS   6   9.789  -3.031   2.409
   39   1HB   HIS   6          1HB       HIS   6   9.430  -1.775  -0.133
   40   2HB   HIS   6          2HB       HIS   6  11.070  -1.418   0.403
   41    HD1  HIS   6           HD1      HIS   6  12.753  -3.247   0.095
   42    HD2  HIS   6           HD2      HIS   6   8.849  -4.704  -0.026
   43    HE1  HIS   6           HE1      HIS   6  12.923  -5.702  -0.502
   44    H    ARG   7           H        ARG   7  10.131   0.389   1.558
   45    HA   ARG   7           HA       ARG   7  10.867   1.593   3.847
   46   1HB   ARG   7          1HB       ARG   7  13.076  -0.181   2.986
   47   2HB   ARG   7          2HB       ARG   7  13.548   1.479   3.350
   48   1HG   ARG   7          1HG       ARG   7  13.066   1.278   5.575
   49   2HG   ARG   7          2HG       ARG   7  11.693   0.209   5.287
   50   1HD   ARG   7          1HD       ARG   7  13.138  -1.345   6.160
   51   2HD   ARG   7          2HD       ARG   7  13.660  -1.428   4.480
   52    HE   ARG   7           HE       ARG   7  15.074   0.566   6.022
   53   1HH1  ARG   7          1HH1      ARG   7  14.944  -2.818   5.133
   54   2HH1  ARG   7          2HH1      ARG   7  16.630  -3.075   5.424
   55   1HH2  ARG   7          1HH2      ARG   7  17.265   0.187   6.390
   56   2HH2  ARG   7          2HH2      ARG   7  17.934  -1.389   6.130
   57    HA   PRO   8           HA       PRO   8  11.455   4.660   0.683
   58   1HB   PRO   8          1HB       PRO   8  11.930   6.819   2.282
   59   2HB   PRO   8          2HB       PRO   8  10.340   6.067   2.079
   60   1HG   PRO   8          1HG       PRO   8  12.145   6.005   4.406
   61   2HG   PRO   8          2HG       PRO   8  10.401   5.723   4.328
   62   1HD   PRO   8          1HD       PRO   8  12.486   3.748   4.481
   63   2HD   PRO   8          2HD       PRO   8  10.739   3.470   4.343
   64    H    ASP   9           H        ASP   9  13.701   3.153   0.793
   65    HA   ASP   9           HA       ASP   9  15.741   4.825  -0.138
   66   1HB   ASP   9          1HB       ASP   9  15.663   5.078   2.578
   67   2HB   ASP   9          2HB       ASP   9  16.796   3.739   2.405
   68    H    LYS  10           H        LYS  10  18.014   3.491   0.238
   69    HA   LYS  10           HA       LYS  10  19.188   1.620  -0.400
   70   1HB   LYS  10          1HB       LYS  10  17.021   0.625   1.307
   71   2HB   LYS  10          2HB       LYS  10  17.586  -0.577   0.149
   72   1HG   LYS  10          1HG       LYS  10  19.156  -0.964   1.770
   73   2HG   LYS  10          2HG       LYS  10  19.968   0.389   0.983
   74   1HD   LYS  10          1HD       LYS  10  18.507   1.845   2.617
   75   2HD   LYS  10          2HD       LYS  10  18.413   0.351   3.551
   76   1HE   LYS  10          1HE       LYS  10  20.955   1.753   2.671
   77   2HE   LYS  10          2HE       LYS  10  20.323   1.677   4.316
   78   1HZ   LYS  10          1HZ       LYS  10  20.420  -0.842   3.971
   79   2HZ   LYS  10          2HZ       LYS  10  21.456  -0.495   2.670
   80   3HZ   LYS  10          3HZ       LYS  10  21.879  -0.020   4.245

  No H/Q in entry =          80
  Start of MODEL   42
    1    H1   LEU   1           H1       LEU   1   4.049   1.675  -5.541
    2    H2   LEU   1           H2       LEU   1   4.564   3.243  -5.139
    3    H3   LEU   1           H3       LEU   1   5.272   2.428  -6.448
    4    HA   LEU   1           HA       LEU   1   6.389   0.913  -5.070
    5   1HB   LEU   1          1HB       LEU   1   7.103   3.439  -5.108
    6   2HB   LEU   1          2HB       LEU   1   6.561   3.426  -3.429
    7    HG   LEU   1           HG       LEU   1   8.439   1.309  -4.466
    8   1HD1  LEU   1          1HD1      LEU   1   9.279   3.725  -4.848
    9   2HD1  LEU   1          2HD1      LEU   1   9.357   3.835  -3.089
   10   3HD1  LEU   1          3HD1      LEU   1  10.329   2.635  -3.942
   11   1HD2  LEU   1          1HD2      LEU   1   7.437   2.310  -1.835
   12   2HD2  LEU   1          2HD2      LEU   1   7.763   0.656  -2.355
   13   3HD2  LEU   1          3HD2      LEU   1   9.097   1.716  -1.899
   14    H    GLY   2           H        GLY   2   4.966  -0.563  -4.105
   15   1HA   GLY   2          1HA       GLY   2   3.143  -0.836  -2.391
   16   2HA   GLY   2          2HA       GLY   2   4.173   0.125  -1.333
   17    H    ALA   3           H        ALA   3   3.562  -2.988  -2.694
   18    HA   ALA   3           HA       ALA   3   4.382  -5.084  -2.226
   19   1HB   ALA   3          1HB       ALA   3   6.465  -3.985  -3.254
   20   2HB   ALA   3          2HB       ALA   3   6.724  -5.408  -2.246
   21   3HB   ALA   3          3HB       ALA   3   7.036  -3.798  -1.597
   22    H    SER   4           H        SER   4   3.095  -3.666  -0.167
   23    HA   SER   4           HA       SER   4   2.698  -3.783   2.096
   24   1HB   SER   4          1HB       SER   4   4.421  -6.182   1.605
   25   2HB   SER   4          2HB       SER   4   4.054  -5.717   3.263
   26    HG   SER   4           HG       SER   4   2.554  -7.177   1.892
   27    H    TRP   5           H        TRP   5   4.694  -2.031   1.117
   28    HA   TRP   5           HA       TRP   5   6.270  -0.587   1.915
   29   1HB   TRP   5          1HB       TRP   5   4.635  -1.039   4.032
   30   2HB   TRP   5          2HB       TRP   5   6.169  -1.597   4.698
   31    HD1  TRP   5           HD1      TRP   5   4.643   1.460   2.965
   32    HE1  TRP   5           HE1      TRP   5   5.965   3.561   3.716
   33    HE3  TRP   5           HE3      TRP   5   8.281  -0.765   5.732
   34    HZ2  TRP   5           HZ2      TRP   5   8.291   4.183   5.299
   35    HZ3  TRP   5           HZ3      TRP   5  10.027   0.575   6.849
   36    HH2  TRP   5           HH2      TRP   5  10.043   3.046   6.639
   37    H    HIS   6           H        HIS   6   8.293  -0.820   1.471
   38    HA   HIS   6           HA       HIS   6   9.788  -3.130   2.550
   39   1HB   HIS   6          1HB       HIS   6   9.890  -1.666  -0.044
   40   2HB   HIS   6          2HB       HIS   6  11.420  -2.233   0.621
   41    HD1  HIS   6           HD1      HIS   6  10.818  -4.902   1.766
   42    HD2  HIS   6           HD2      HIS   6   9.035  -3.630  -1.779
   43    HE1  HIS   6           HE1      HIS   6  10.074  -6.994   0.548
   44    H    ARG   7           H        ARG   7  10.037   0.280   1.668
   45    HA   ARG   7           HA       ARG   7  10.927   1.466   3.903
   46   1HB   ARG   7          1HB       ARG   7  13.114  -0.216   2.841
   47   2HB   ARG   7          2HB       ARG   7  13.570   1.459   3.158
   48   1HG   ARG   7          1HG       ARG   7  13.156   1.292   5.429
   49   2HG   ARG   7          2HG       ARG   7  11.956   0.016   5.224
   50   1HD   ARG   7          1HD       ARG   7  13.616  -1.642   4.883
   51   2HD   ARG   7          2HD       ARG   7  14.871  -0.442   4.596
   52    HE   ARG   7           HE       ARG   7  13.727  -0.260   7.239
   53   1HH1  ARG   7          1HH1      ARG   7  16.095  -1.911   5.259
   54   2HH1  ARG   7          2HH1      ARG   7  17.097  -2.329   6.606
   55   1HH2  ARG   7          1HH2      ARG   7  15.062  -0.825   8.966
   56   2HH2  ARG   7          2HH2      ARG   7  16.519  -1.720   8.687
   57    HA   PRO   8           HA       PRO   8  11.123   4.675   0.862
   58   1HB   PRO   8          1HB       PRO   8  11.923   6.749   2.444
   59   2HB   PRO   8          2HB       PRO   8  10.300   6.043   2.479
   60   1HG   PRO   8          1HG       PRO   8  12.481   5.814   4.455
   61   2HG   PRO   8          2HG       PRO   8  10.737   5.621   4.678
   62   1HD   PRO   8          1HD       PRO   8  12.686   3.541   4.428
   63   2HD   PRO   8          2HD       PRO   8  10.920   3.356   4.512
   64    H    ASP   9           H        ASP   9  13.288   3.140   0.469
   65    HA   ASP   9           HA       ASP   9  15.425   3.118  -0.386
   66   1HB   ASP   9          1HB       ASP   9  14.422   5.091  -1.661
   67   2HB   ASP   9          2HB       ASP   9  15.246   6.128  -0.495
   68    H    LYS  10           H        LYS  10  16.146   2.424   1.736
   69    HA   LYS  10           HA       LYS  10  17.376   4.479   3.424
   70   1HB   LYS  10          1HB       LYS  10  16.083   2.141   4.055
   71   2HB   LYS  10          2HB       LYS  10  17.773   1.651   4.162
   72   1HG   LYS  10          1HG       LYS  10  16.945   4.243   5.421
   73   2HG   LYS  10          2HG       LYS  10  16.558   2.735   6.250
   74   1HD   LYS  10          1HD       LYS  10  18.989   2.078   5.992
   75   2HD   LYS  10          2HD       LYS  10  19.300   3.718   5.420
   76   1HE   LYS  10          1HE       LYS  10  18.201   4.539   7.570
   77   2HE   LYS  10          2HE       LYS  10  18.275   2.870   8.136
   78   1HZ   LYS  10          1HZ       LYS  10  20.696   2.935   7.657
   79   2HZ   LYS  10          2HZ       LYS  10  20.554   4.596   7.345
   80   3HZ   LYS  10          3HZ       LYS  10  20.210   3.992   8.895

  No H/Q in entry =          80
  Start of MODEL   43
    1    H1   LEU   1           H1       LEU   1  -3.606  -0.125  -4.304
    2    H2   LEU   1           H2       LEU   1  -4.883   0.972  -4.076
    3    H3   LEU   1           H3       LEU   1  -4.611   0.297  -5.608
    4    HA   LEU   1           HA       LEU   1  -2.649   1.512  -5.939
    5   1HB   LEU   1          1HB       LEU   1  -5.114   2.748  -5.489
    6   2HB   LEU   1          2HB       LEU   1  -3.978   3.739  -4.577
    7    HG   LEU   1           HG       LEU   1  -4.203   4.558  -6.890
    8   1HD1  LEU   1          1HD1      LEU   1  -1.664   3.571  -5.752
    9   2HD1  LEU   1          2HD1      LEU   1  -1.607   3.908  -7.482
   10   3HD1  LEU   1          3HD1      LEU   1  -2.086   5.174  -6.351
   11   1HD2  LEU   1          1HD2      LEU   1  -3.910   1.698  -7.476
   12   2HD2  LEU   1          2HD2      LEU   1  -4.588   2.985  -8.472
   13   3HD2  LEU   1          3HD2      LEU   1  -2.849   2.703  -8.462
   14    H    GLY   2           H        GLY   2  -0.754   1.331  -4.920
   15   1HA   GLY   2          1HA       GLY   2  -0.381   2.752  -2.383
   16   2HA   GLY   2          2HA       GLY   2   0.896   2.182  -3.455
   17    H    ALA   3           H        ALA   3  -0.002   1.791  -0.485
   18    HA   ALA   3           HA       ALA   3   0.205   0.146   1.108
   19   1HB   ALA   3          1HB       ALA   3  -1.727  -0.970   0.531
   20   2HB   ALA   3          2HB       ALA   3  -0.540  -2.232   0.200
   21   3HB   ALA   3          3HB       ALA   3  -1.191  -1.265  -1.124
   22    H    SER   4           H        SER   4   1.126  -2.252   1.330
   23    HA   SER   4           HA       SER   4   3.007  -3.561   1.289
   24   1HB   SER   4          1HB       SER   4   3.261  -2.541  -1.549
   25   2HB   SER   4          2HB       SER   4   4.139  -3.907  -0.868
   26    HG   SER   4           HG       SER   4   2.455  -5.042  -1.379
   27    H    TRP   5           H        TRP   5   4.649  -3.043   2.480
   28    HA   TRP   5           HA       TRP   5   6.178  -0.612   1.793
   29   1HB   TRP   5          1HB       TRP   5   4.824  -1.031   4.100
   30   2HB   TRP   5          2HB       TRP   5   6.396  -1.702   4.536
   31    HD1  TRP   5           HD1      TRP   5   5.021   1.461   2.813
   32    HE1  TRP   5           HE1      TRP   5   6.505   3.465   3.514
   33    HE3  TRP   5           HE3      TRP   5   8.442  -0.963   5.698
   34    HZ2  TRP   5           HZ2      TRP   5   8.855   3.951   5.099
   35    HZ3  TRP   5           HZ3      TRP   5  10.286   0.273   6.791
   36    HH2  TRP   5           HH2      TRP   5  10.498   2.727   6.497
   37    H    HIS   6           H        HIS   6   8.405  -0.588   2.310
   38    HA   HIS   6           HA       HIS   6   9.798  -3.097   2.763
   39   1HB   HIS   6          1HB       HIS   6   9.397  -2.118   0.102
   40   2HB   HIS   6          2HB       HIS   6  11.096  -1.885   0.507
   41    HD1  HIS   6           HD1      HIS   6  12.340  -3.843  -0.406
   42    HD2  HIS   6           HD2      HIS   6   8.741  -4.998   1.352
   43    HE1  HIS   6           HE1      HIS   6  12.272  -6.374  -0.507
   44    H    ARG   7           H        ARG   7  10.103   0.272   1.727
   45    HA   ARG   7           HA       ARG   7  11.328   1.345   3.929
   46   1HB   ARG   7          1HB       ARG   7  13.224  -0.287   2.398
   47   2HB   ARG   7          2HB       ARG   7  13.755   1.387   2.569
   48   1HG   ARG   7          1HG       ARG   7  13.796   1.278   4.904
   49   2HG   ARG   7          2HG       ARG   7  12.687  -0.091   4.959
   50   1HD   ARG   7          1HD       ARG   7  14.552  -1.344   5.251
   51   2HD   ARG   7          2HD       ARG   7  14.786  -1.130   3.520
   52    HE   ARG   7           HE       ARG   7  15.970   1.082   4.610
   53   1HH1  ARG   7          1HH1      ARG   7  16.285  -2.364   5.141
   54   2HH1  ARG   7          2HH1      ARG   7  17.946  -2.255   5.610
   55   1HH2  ARG   7          1HH2      ARG   7  18.136   1.179   5.230
   56   2HH2  ARG   7          2HH2      ARG   7  18.987  -0.267   5.662
   57    HA   PRO   8           HA       PRO   8  10.903   4.777   1.181
   58   1HB   PRO   8          1HB       PRO   8  12.112   6.721   2.665
   59   2HB   PRO   8          2HB       PRO   8  10.527   6.029   3.040
   60   1HG   PRO   8          1HG       PRO   8  13.111   5.634   4.411
   61   2HG   PRO   8          2HG       PRO   8  11.467   5.438   5.033
   62   1HD   PRO   8          1HD       PRO   8  13.245   3.367   4.174
   63   2HD   PRO   8          2HD       PRO   8  11.545   3.188   4.664
   64    H    ASP   9           H        ASP   9  12.834   3.281   0.130
   65    HA   ASP   9           HA       ASP   9  15.272   4.892  -0.163
   66   1HB   ASP   9          1HB       ASP   9  15.053   2.236   0.074
   67   2HB   ASP   9          2HB       ASP   9  14.899   2.356  -1.679
   68    H    LYS  10           H        LYS  10  16.162   4.872  -2.501
   69    HA   LYS  10           HA       LYS  10  13.981   5.757  -4.295
   70   1HB   LYS  10          1HB       LYS  10  16.859   6.654  -4.070
   71   2HB   LYS  10          2HB       LYS  10  15.826   7.070  -5.439
   72   1HG   LYS  10          1HG       LYS  10  14.960   7.597  -2.596
   73   2HG   LYS  10          2HG       LYS  10  15.931   8.762  -3.495
   74   1HD   LYS  10          1HD       LYS  10  14.079   8.343  -5.358
   75   2HD   LYS  10          2HD       LYS  10  13.107   7.894  -3.955
   76   1HE   LYS  10          1HE       LYS  10  12.786  10.256  -4.327
   77   2HE   LYS  10          2HE       LYS  10  13.792  10.079  -2.889
   78   1HZ   LYS  10          1HZ       LYS  10  14.993  10.392  -5.569
   79   2HZ   LYS  10          2HZ       LYS  10  14.519  11.745  -4.658
   80   3HZ   LYS  10          3HZ       LYS  10  15.694  10.683  -4.048

  No H/Q in entry =          80
  Start of MODEL   44
    1    H1   LEU   1           H1       LEU   1  -1.322  -5.397  -1.572
    2    H2   LEU   1           H2       LEU   1  -2.147  -6.651  -2.359
    3    H3   LEU   1           H3       LEU   1  -1.652  -6.844  -0.746
    4    HA   LEU   1           HA       LEU   1   0.551  -7.125  -1.285
    5   1HB   LEU   1          1HB       LEU   1  -1.072  -8.224  -3.599
    6   2HB   LEU   1          2HB       LEU   1   0.580  -8.710  -3.220
    7    HG   LEU   1           HG       LEU   1  -0.515  -9.069  -0.795
    8   1HD1  LEU   1          1HD1      LEU   1  -2.760  -9.231  -2.797
    9   2HD1  LEU   1          2HD1      LEU   1  -2.777 -10.242  -1.353
   10   3HD1  LEU   1          3HD1      LEU   1  -2.757  -8.486  -1.199
   11   1HD2  LEU   1          1HD2      LEU   1   0.695 -10.746  -2.190
   12   2HD2  LEU   1          2HD2      LEU   1  -0.701 -11.442  -1.368
   13   3HD2  LEU   1          3HD2      LEU   1  -0.797 -11.043  -3.083
   14    H    GLY   2           H        GLY   2  -1.264  -5.472  -3.800
   15   1HA   GLY   2          1HA       GLY   2  -0.633  -3.960  -5.422
   16   2HA   GLY   2          2HA       GLY   2   0.837  -4.915  -5.592
   17    H    ALA   3           H        ALA   3  -0.300  -3.230  -2.698
   18    HA   ALA   3           HA       ALA   3   2.043  -1.429  -2.906
   19   1HB   ALA   3          1HB       ALA   3  -0.337  -0.772  -1.209
   20   2HB   ALA   3          2HB       ALA   3  -0.407  -0.483  -2.948
   21   3HB   ALA   3          3HB       ALA   3   0.827   0.313  -1.969
   22    H    SER   4           H        SER   4   3.489  -2.674  -1.755
   23    HA   SER   4           HA       SER   4   2.829  -3.041   1.106
   24   1HB   SER   4          1HB       SER   4   4.429  -4.889  -0.681
   25   2HB   SER   4          2HB       SER   4   4.357  -5.026   1.074
   26    HG   SER   4           HG       SER   4   2.767  -6.204  -0.448
   27    H    TRP   5           H        TRP   5   4.242  -2.331   2.526
   28    HA   TRP   5           HA       TRP   5   6.244  -0.505   1.720
   29   1HB   TRP   5          1HB       TRP   5   4.851  -0.809   3.987
   30   2HB   TRP   5          2HB       TRP   5   6.330  -1.645   4.463
   31    HD1  TRP   5           HD1      TRP   5   5.302   1.695   2.827
   32    HE1  TRP   5           HE1      TRP   5   6.977   3.510   3.598
   33    HE3  TRP   5           HE3      TRP   5   8.467  -1.169   5.603
   34    HZ2  TRP   5           HZ2      TRP   5   9.360   3.700   5.191
   35    HZ3  TRP   5           HZ3      TRP   5  10.423  -0.164   6.736
   36    HH2  TRP   5           HH2      TRP   5  10.876   2.267   6.536
   37    H    HIS   6           H        HIS   6   8.471  -0.593   2.548
   38    HA   HIS   6           HA       HIS   6   9.766  -3.094   3.009
   39   1HB   HIS   6          1HB       HIS   6   9.311  -2.393   0.286
   40   2HB   HIS   6          2HB       HIS   6  11.024  -2.135   0.602
   41    HD1  HIS   6           HD1      HIS   6  12.018  -4.224  -0.440
   42    HD2  HIS   6           HD2      HIS   6   8.881  -5.085   2.165
   43    HE1  HIS   6           HE1      HIS   6  11.977  -6.743  -0.180
   44    H    ARG   7           H        ARG   7  10.117   0.197   1.766
   45    HA   ARG   7           HA       ARG   7  11.636   1.200   3.872
   46   1HB   ARG   7          1HB       ARG   7  13.217  -0.315   1.917
   47   2HB   ARG   7          2HB       ARG   7  13.791   1.336   2.140
   48   1HG   ARG   7          1HG       ARG   7  14.416   0.975   4.309
   49   2HG   ARG   7          2HG       ARG   7  13.084  -0.136   4.619
   50   1HD   ARG   7          1HD       ARG   7  15.353  -1.221   4.627
   51   2HD   ARG   7          2HD       ARG   7  14.225  -1.935   3.491
   52    HE   ARG   7           HE       ARG   7  16.543  -0.239   2.822
   53   1HH1  ARG   7          1HH1      ARG   7  13.844  -2.198   1.717
   54   2HH1  ARG   7          2HH1      ARG   7  14.482  -2.353   0.121
   55   1HH2  ARG   7          1HH2      ARG   7  17.311  -0.472   0.728
   56   2HH2  ARG   7          2HH2      ARG   7  16.415  -1.385  -0.438
   57    HA   PRO   8           HA       PRO   8  10.723   4.762   1.402
   58   1HB   PRO   8          1HB       PRO   8  12.082   6.656   2.816
   59   2HB   PRO   8          2HB       PRO   8  10.593   5.880   3.372
   60   1HG   PRO   8          1HG       PRO   8  13.358   5.512   4.332
   61   2HG   PRO   8          2HG       PRO   8  11.827   5.204   5.164
   62   1HD   PRO   8          1HD       PRO   8  13.537   3.275   3.904
   63   2HD   PRO   8          2HD       PRO   8  11.950   2.987   4.653
   64    H    ASP   9           H        ASP   9  12.695   3.325   0.118
   65    HA   ASP   9           HA       ASP   9  14.366   3.515  -1.455
   66   1HB   ASP   9          1HB       ASP   9  12.831   5.491  -2.081
   67   2HB   ASP   9          2HB       ASP   9  14.038   6.505  -1.290
   68    H    LYS  10           H        LYS  10  16.576   4.281  -1.811
   69    HA   LYS  10           HA       LYS  10  17.976   5.879   0.060
   70   1HB   LYS  10          1HB       LYS  10  17.673   3.013   0.727
   71   2HB   LYS  10          2HB       LYS  10  19.326   3.625   0.796
   72   1HG   LYS  10          1HG       LYS  10  18.003   5.647   2.051
   73   2HG   LYS  10          2HG       LYS  10  16.997   4.274   2.511
   74   1HD   LYS  10          1HD       LYS  10  19.276   3.113   3.061
   75   2HD   LYS  10          2HD       LYS  10  19.907   4.760   3.097
   76   1HE   LYS  10          1HE       LYS  10  17.435   3.977   4.645
   77   2HE   LYS  10          2HE       LYS  10  19.051   3.797   5.327
   78   1HZ   LYS  10          1HZ       LYS  10  19.317   6.237   4.570
   79   2HZ   LYS  10          2HZ       LYS  10  17.618   6.254   4.568
   80   3HZ   LYS  10          3HZ       LYS  10  18.465   5.902   5.998

  No H/Q in entry =          80
  Start of MODEL   45
    1    H1   LEU   1           H1       LEU   1   4.164   2.300  -3.787
    2    H2   LEU   1           H2       LEU   1   5.330   3.513  -4.013
    3    H3   LEU   1           H3       LEU   1   4.134   3.695  -2.832
    4    HA   LEU   1           HA       LEU   1   3.463   5.056  -4.573
    5   1HB   LEU   1          1HB       LEU   1   3.176   4.069  -6.911
    6   2HB   LEU   1          2HB       LEU   1   4.818   4.395  -6.390
    7    HG   LEU   1           HG       LEU   1   4.482   2.208  -7.608
    8   1HD1  LEU   1          1HD1      LEU   1   6.211   2.812  -5.623
    9   2HD1  LEU   1          2HD1      LEU   1   5.445   1.377  -4.944
   10   3HD1  LEU   1          3HD1      LEU   1   6.235   1.293  -6.514
   11   1HD2  LEU   1          1HD2      LEU   1   2.272   1.732  -6.374
   12   2HD2  LEU   1          2HD2      LEU   1   3.371   0.380  -6.627
   13   3HD2  LEU   1          3HD2      LEU   1   3.282   1.156  -5.050
   14    H    GLY   2           H        GLY   2   2.303   3.017  -2.712
   15   1HA   GLY   2          1HA       GLY   2  -0.011   1.923  -4.027
   16   2HA   GLY   2          2HA       GLY   2  -0.375   3.379  -3.103
   17    H    ALA   3           H        ALA   3   0.944   0.108  -2.900
   18    HA   ALA   3           HA       ALA   3   0.513   0.145   0.022
   19   1HB   ALA   3          1HB       ALA   3  -1.255  -1.082  -1.618
   20   2HB   ALA   3          2HB       ALA   3  -0.095  -2.390  -1.384
   21   3HB   ALA   3          3HB       ALA   3  -0.885  -1.652   0.009
   22    H    SER   4           H        SER   4   1.273  -2.257   0.760
   23    HA   SER   4           HA       SER   4   3.087  -3.587   1.201
   24   1HB   SER   4          1HB       SER   4   2.770  -3.780  -1.496
   25   2HB   SER   4          2HB       SER   4   4.407  -3.137  -1.407
   26    HG   SER   4           HG       SER   4   4.905  -5.142  -1.003
   27    H    TRP   5           H        TRP   5   4.646  -3.037   2.483
   28    HA   TRP   5           HA       TRP   5   6.217  -0.630   1.825
   29   1HB   TRP   5          1HB       TRP   5   4.734  -1.018   4.055
   30   2HB   TRP   5          2HB       TRP   5   6.279  -1.678   4.597
   31    HD1  TRP   5           HD1      TRP   5   4.894   1.473   2.886
   32    HE1  TRP   5           HE1      TRP   5   6.373   3.485   3.581
   33    HE3  TRP   5           HE3      TRP   5   8.403  -0.952   5.663
   34    HZ2  TRP   5           HZ2      TRP   5   8.754   3.974   5.121
   35    HZ3  TRP   5           HZ3      TRP   5  10.254   0.286   6.730
   36    HH2  TRP   5           HH2      TRP   5  10.438   2.747   6.467
   37    H    HIS   6           H        HIS   6   8.370  -0.620   1.942
   38    HA   HIS   6           HA       HIS   6   9.795  -3.094   2.657
   39   1HB   HIS   6          1HB       HIS   6   9.668  -1.770   0.025
   40   2HB   HIS   6          2HB       HIS   6  11.306  -2.081   0.593
   41    HD1  HIS   6           HD1      HIS   6  11.717  -4.663   1.434
   42    HD2  HIS   6           HD2      HIS   6   8.433  -4.001  -1.045
   43    HE1  HIS   6           HE1      HIS   6  11.048  -6.926   0.511
   44    H    ARG   7           H        ARG   7  10.110   0.292   1.683
   45    HA   ARG   7           HA       ARG   7  11.208   1.366   3.954
   46   1HB   ARG   7          1HB       ARG   7  13.186  -0.252   2.515
   47   2HB   ARG   7          2HB       ARG   7  13.699   1.425   2.708
   48   1HG   ARG   7          1HG       ARG   7  13.629   1.319   5.040
   49   2HG   ARG   7          2HG       ARG   7  12.534  -0.065   5.043
   50   1HD   ARG   7          1HD       ARG   7  14.338  -1.489   4.138
   51   2HD   ARG   7          2HD       ARG   7  15.431  -0.109   4.151
   52    HE   ARG   7           HE       ARG   7  14.563  -0.261   6.737
   53   1HH1  ARG   7          1HH1      ARG   7  16.001  -2.552   4.515
   54   2HH1  ARG   7          2HH1      ARG   7  16.768  -3.460   5.772
   55   1HH2  ARG   7          1HH2      ARG   7  15.577  -1.471   8.343
   56   2HH2  ARG   7          2HH2      ARG   7  16.532  -2.854   7.923
   57    HA   PRO   8           HA       PRO   8  10.931   4.821   1.214
   58   1HB   PRO   8          1HB       PRO   8  12.298   6.718   2.620
   59   2HB   PRO   8          2HB       PRO   8  10.686   6.130   3.053
   60   1HG   PRO   8          1HG       PRO   8  13.297   5.565   4.333
   61   2HG   PRO   8          2HG       PRO   8  11.674   5.558   5.037
   62   1HD   PRO   8          1HD       PRO   8  13.172   3.283   4.251
   63   2HD   PRO   8          2HD       PRO   8  11.452   3.309   4.692
   64    H    ASP   9           H        ASP   9  12.723   3.203   0.122
   65    HA   ASP   9           HA       ASP   9  14.495   4.912  -1.289
   66   1HB   ASP   9          1HB       ASP   9  15.581   3.447   1.051
   67   2HB   ASP   9          2HB       ASP   9  16.527   3.338  -0.434
   68    H    LYS  10           H        LYS  10  16.090   3.474  -2.631
   69    HA   LYS  10           HA       LYS  10  15.269   0.748  -3.079
   70   1HB   LYS  10          1HB       LYS  10  13.607   2.500  -4.287
   71   2HB   LYS  10          2HB       LYS  10  14.858   2.377  -5.525
   72   1HG   LYS  10          1HG       LYS  10  14.661  -0.172  -5.229
   73   2HG   LYS  10          2HG       LYS  10  13.167   0.165  -4.356
   74   1HD   LYS  10          1HD       LYS  10  12.154   0.155  -6.381
   75   2HD   LYS  10          2HD       LYS  10  12.909   1.728  -6.634
   76   1HE   LYS  10          1HE       LYS  10  14.401  -0.818  -7.252
   77   2HE   LYS  10          2HE       LYS  10  13.295  -0.109  -8.428
   78   1HZ   LYS  10          1HZ       LYS  10  15.540   1.348  -7.144
   79   2HZ   LYS  10          2HZ       LYS  10  15.611   0.644  -8.688
   80   3HZ   LYS  10          3HZ       LYS  10  14.536   1.921  -8.388

  No H/Q in entry =          80
  Start of MODEL   46
    1    H1   LEU   1           H1       LEU   1  -3.558  -4.916   1.654
    2    H2   LEU   1           H2       LEU   1  -4.761  -5.984   2.203
    3    H3   LEU   1           H3       LEU   1  -3.322  -6.594   1.545
    4    HA   LEU   1           HA       LEU   1  -5.086  -6.799  -0.061
    5   1HB   LEU   1          1HB       LEU   1  -6.090  -4.671  -0.962
    6   2HB   LEU   1          2HB       LEU   1  -6.557  -5.031   0.700
    7    HG   LEU   1           HG       LEU   1  -4.097  -3.399   0.350
    8   1HD1  LEU   1          1HD1      LEU   1  -6.878  -2.433  -0.340
    9   2HD1  LEU   1          2HD1      LEU   1  -5.600  -1.333   0.175
   10   3HD1  LEU   1          3HD1      LEU   1  -5.407  -2.280  -1.300
   11   1HD2  LEU   1          1HD2      LEU   1  -5.522  -4.162   2.490
   12   2HD2  LEU   1          2HD2      LEU   1  -4.676  -2.615   2.444
   13   3HD2  LEU   1          3HD2      LEU   1  -6.406  -2.684   2.107
   14    H    GLY   2           H        GLY   2  -2.764  -7.357  -0.596
   15   1HA   GLY   2          1HA       GLY   2  -2.033  -6.091  -3.044
   16   2HA   GLY   2          2HA       GLY   2  -1.116  -7.344  -2.212
   17    H    ALA   3           H        ALA   3   0.625  -5.865  -3.145
   18    HA   ALA   3           HA       ALA   3   2.355  -4.397  -2.786
   19   1HB   ALA   3          1HB       ALA   3  -0.028  -2.882  -1.845
   20   2HB   ALA   3          2HB       ALA   3   1.156  -2.465  -3.083
   21   3HB   ALA   3          3HB       ALA   3   1.557  -2.266  -1.377
   22    H    SER   4           H        SER   4   3.894  -3.780  -1.224
   23    HA   SER   4           HA       SER   4   3.349  -4.415   1.584
   24   1HB   SER   4          1HB       SER   4   5.612  -5.726   1.531
   25   2HB   SER   4          2HB       SER   4   4.128  -6.543   1.050
   26    HG   SER   4           HG       SER   4   5.226  -6.905  -0.715
   27    H    TRP   5           H        TRP   5   4.685  -3.411   3.012
   28    HA   TRP   5           HA       TRP   5   5.952  -1.020   2.114
   29   1HB   TRP   5          1HB       TRP   5   4.844  -1.774   4.448
   30   2HB   TRP   5          2HB       TRP   5   6.545  -2.039   4.828
   31    HD1  TRP   5           HD1      TRP   5   4.450   0.757   3.134
   32    HE1  TRP   5           HE1      TRP   5   5.386   3.031   3.919
   33    HE3  TRP   5           HE3      TRP   5   8.268  -0.854   6.075
   34    HZ2  TRP   5           HZ2      TRP   5   7.495   4.028   5.592
   35    HZ3  TRP   5           HZ3      TRP   5   9.724   0.763   7.269
   36    HH2  TRP   5           HH2      TRP   5   9.345   3.202   7.025
   37    H    HIS   6           H        HIS   6   7.961  -0.668   1.536
   38    HA   HIS   6           HA       HIS   6   9.986  -2.767   2.043
   39   1HB   HIS   6          1HB       HIS   6   9.124  -1.487  -0.398
   40   2HB   HIS   6          2HB       HIS   6  10.833  -1.165  -0.128
   41    HD1  HIS   6           HD1      HIS   6  12.326  -2.938  -1.024
   42    HD2  HIS   6           HD2      HIS   6   8.606  -4.485   0.045
   43    HE1  HIS   6           HE1      HIS   6  12.379  -5.402  -1.613
   44    H    ARG   7           H        ARG   7   9.161   0.524   2.514
   45    HA   ARG   7           HA       ARG   7  10.202   2.111   3.843
   46   1HB   ARG   7          1HB       ARG   7  12.813   0.600   3.621
   47   2HB   ARG   7          2HB       ARG   7  12.376   1.841   4.787
   48   1HG   ARG   7          1HG       ARG   7  11.259   0.390   6.113
   49   2HG   ARG   7          2HG       ARG   7  10.567  -0.487   4.752
   50   1HD   ARG   7          1HD       ARG   7  13.476  -0.818   4.999
   51   2HD   ARG   7          2HD       ARG   7  12.582  -1.420   6.391
   52    HE   ARG   7           HE       ARG   7  12.594  -2.545   3.732
   53   1HH1  ARG   7          1HH1      ARG   7  10.764  -2.210   6.697
   54   2HH1  ARG   7          2HH1      ARG   7   9.852  -3.656   6.432
   55   1HH2  ARG   7          1HH2      ARG   7  11.384  -4.424   3.424
   56   2HH2  ARG   7          2HH2      ARG   7  10.196  -4.899   4.594
   57    HA   PRO   8           HA       PRO   8  11.969   4.344   0.453
   58   1HB   PRO   8          1HB       PRO   8  12.555   6.683   1.726
   59   2HB   PRO   8          2HB       PRO   8  10.916   6.173   1.293
   60   1HG   PRO   8          1HG       PRO   8  12.207   6.263   3.951
   61   2HG   PRO   8          2HG       PRO   8  10.491   6.348   3.529
   62   1HD   PRO   8          1HD       PRO   8  11.895   4.069   4.509
   63   2HD   PRO   8          2HD       PRO   8  10.228   4.112   3.894
   64    H    ASP   9           H        ASP   9  13.807   2.545   1.374
   65    HA   ASP   9           HA       ASP   9  16.061   2.096   1.313
   66   1HB   ASP   9          1HB       ASP   9  15.890   4.065  -0.446
   67   2HB   ASP   9          2HB       ASP   9  16.749   4.961   0.806
   68    H    LYS  10           H        LYS  10  17.577   1.913   2.855
   69    HA   LYS  10           HA       LYS  10  17.157   3.330   5.343
   70   1HB   LYS  10          1HB       LYS  10  19.317   1.335   4.617
   71   2HB   LYS  10          2HB       LYS  10  18.869   1.853   6.242
   72   1HG   LYS  10          1HG       LYS  10  17.022   0.518   6.297
   73   2HG   LYS  10          2HG       LYS  10  16.622   0.835   4.608
   74   1HD   LYS  10          1HD       LYS  10  18.876  -0.604   4.255
   75   2HD   LYS  10          2HD       LYS  10  18.331  -1.299   5.782
   76   1HE   LYS  10          1HE       LYS  10  16.122  -1.765   4.789
   77   2HE   LYS  10          2HE       LYS  10  16.657  -1.061   3.263
   78   1HZ   LYS  10          1HZ       LYS  10  18.558  -2.768   3.475
   79   2HZ   LYS  10          2HZ       LYS  10  17.517  -3.564   4.552
   80   3HZ   LYS  10          3HZ       LYS  10  17.032  -3.296   2.946

  No H/Q in entry =          80
  Start of MODEL   47
    1    H1   LEU   1           H1       LEU   1  -1.057  -0.209   4.219
    2    H2   LEU   1           H2       LEU   1  -2.442  -0.928   4.892
    3    H3   LEU   1           H3       LEU   1  -1.896  -1.404   3.355
    4    HA   LEU   1           HA       LEU   1  -3.698  -0.015   2.905
    5   1HB   LEU   1          1HB       LEU   1  -3.607   0.867   5.346
    6   2HB   LEU   1          2HB       LEU   1  -2.544   2.118   4.699
    7    HG   LEU   1           HG       LEU   1  -4.498   2.263   2.866
    8   1HD1  LEU   1          1HD1      LEU   1  -5.850   1.320   5.413
    9   2HD1  LEU   1          2HD1      LEU   1  -6.688   2.027   4.032
   10   3HD1  LEU   1          3HD1      LEU   1  -5.852   0.485   3.859
   11   1HD2  LEU   1          1HD2      LEU   1  -4.276   3.536   5.592
   12   2HD2  LEU   1          2HD2      LEU   1  -3.864   4.223   4.021
   13   3HD2  LEU   1          3HD2      LEU   1  -5.555   4.010   4.475
   14    H    GLY   2           H        GLY   2  -2.786   0.059   0.883
   15   1HA   GLY   2          1HA       GLY   2  -1.126   2.426   0.316
   16   2HA   GLY   2          2HA       GLY   2  -2.110   1.556  -0.857
   17    H    ALA   3           H        ALA   3  -1.416  -0.691  -1.357
   18    HA   ALA   3           HA       ALA   3   0.170  -2.159  -2.143
   19   1HB   ALA   3          1HB       ALA   3   1.056   0.251  -2.938
   20   2HB   ALA   3          2HB       ALA   3   1.962  -1.234  -3.228
   21   3HB   ALA   3          3HB       ALA   3   2.384  -0.195  -1.867
   22    H    SER   4           H        SER   4   2.790  -2.615  -1.576
   23    HA   SER   4           HA       SER   4   2.692  -3.232   1.300
   24   1HB   SER   4          1HB       SER   4   3.229  -4.883  -0.827
   25   2HB   SER   4          2HB       SER   4   4.850  -4.437  -0.304
   26    HG   SER   4           HG       SER   4   4.545  -5.467   1.528
   27    H    TRP   5           H        TRP   5   4.537  -2.925   2.592
   28    HA   TRP   5           HA       TRP   5   6.173  -0.654   1.703
   29   1HB   TRP   5          1HB       TRP   5   4.720  -0.847   3.940
   30   2HB   TRP   5          2HB       TRP   5   6.213  -1.577   4.530
   31    HD1  TRP   5           HD1      TRP   5   5.069   1.592   2.658
   32    HE1  TRP   5           HE1      TRP   5   6.642   3.532   3.331
   33    HE3  TRP   5           HE3      TRP   5   8.335  -0.934   5.640
   34    HZ2  TRP   5           HZ2      TRP   5   8.990   3.939   4.932
   35    HZ3  TRP   5           HZ3      TRP   5  10.222   0.237   6.726
   36    HH2  TRP   5           HH2      TRP   5  10.558   2.670   6.378
   37    H    HIS   6           H        HIS   6   8.383  -0.593   2.060
   38    HA   HIS   6           HA       HIS   6   9.751  -3.071   2.823
   39   1HB   HIS   6          1HB       HIS   6   9.501  -2.158   0.102
   40   2HB   HIS   6          2HB       HIS   6  11.187  -2.029   0.594
   41    HD1  HIS   6           HD1      HIS   6  12.268  -4.086  -0.338
   42    HD2  HIS   6           HD2      HIS   6   8.649  -4.958   1.536
   43    HE1  HIS   6           HE1      HIS   6  12.054  -6.609  -0.334
   44    H    ARG   7           H        ARG   7  10.142   0.257   1.672
   45    HA   ARG   7           HA       ARG   7  11.385   1.308   3.913
   46   1HB   ARG   7          1HB       ARG   7  13.216  -0.291   2.278
   47   2HB   ARG   7          2HB       ARG   7  13.762   1.376   2.461
   48   1HG   ARG   7          1HG       ARG   7  13.983   1.201   4.759
   49   2HG   ARG   7          2HG       ARG   7  12.758  -0.060   4.888
   50   1HD   ARG   7          1HD       ARG   7  14.240  -1.743   4.406
   51   2HD   ARG   7          2HD       ARG   7  15.195  -0.734   3.325
   52    HE   ARG   7           HE       ARG   7  16.559  -0.235   5.121
   53   1HH1  ARG   7          1HH1      ARG   7  13.460  -1.337   6.316
   54   2HH1  ARG   7          2HH1      ARG   7  13.961  -1.309   7.971
   55   1HH2  ARG   7          1HH2      ARG   7  17.171  -0.209   7.291
   56   2HH2  ARG   7          2HH2      ARG   7  16.044  -0.676   8.521
   57    HA   PRO   8           HA       PRO   8  10.887   4.818   1.272
   58   1HB   PRO   8          1HB       PRO   8  12.212   6.708   2.727
   59   2HB   PRO   8          2HB       PRO   8  10.640   6.031   3.178
   60   1HG   PRO   8          1HG       PRO   8  13.294   5.560   4.384
   61   2HG   PRO   8          2HG       PRO   8  11.686   5.387   5.100
   62   1HD   PRO   8          1HD       PRO   8  13.362   3.295   4.103
   63   2HD   PRO   8          2HD       PRO   8  11.687   3.143   4.680
   64    H    ASP   9           H        ASP   9  12.737   3.311   0.086
   65    HA   ASP   9           HA       ASP   9  14.817   5.247  -0.725
   66   1HB   ASP   9          1HB       ASP   9  15.193   2.300  -0.155
   67   2HB   ASP   9          2HB       ASP   9  16.358   3.273  -1.055
   68    H    LYS  10           H        LYS  10  15.928   4.280  -2.815
   69    HA   LYS  10           HA       LYS  10  13.795   4.022  -4.760
   70   1HB   LYS  10          1HB       LYS  10  16.151   5.285  -4.901
   71   2HB   LYS  10          2HB       LYS  10  16.643   3.729  -5.569
   72   1HG   LYS  10          1HG       LYS  10  14.329   4.077  -6.920
   73   2HG   LYS  10          2HG       LYS  10  14.784   5.764  -6.682
   74   1HD   LYS  10          1HD       LYS  10  16.047   5.450  -8.549
   75   2HD   LYS  10          2HD       LYS  10  17.181   4.682  -7.440
   76   1HE   LYS  10          1HE       LYS  10  16.858   3.120  -9.218
   77   2HE   LYS  10          2HE       LYS  10  15.909   2.506  -7.865
   78   1HZ   LYS  10          1HZ       LYS  10  14.032   3.889  -8.917
   79   2HZ   LYS  10          2HZ       LYS  10  14.983   3.844 -10.321
   80   3HZ   LYS  10          3HZ       LYS  10  14.438   2.396  -9.619

  No H/Q in entry =          80
  Start of MODEL   48
    1    H1   LEU   1           H1       LEU   1  -7.779  -3.729  -2.848
    2    H2   LEU   1           H2       LEU   1  -8.283  -4.080  -1.264
    3    H3   LEU   1           H3       LEU   1  -7.621  -2.558  -1.631
    4    HA   LEU   1           HA       LEU   1  -5.911  -3.729  -0.551
    5   1HB   LEU   1          1HB       LEU   1  -6.809  -5.981  -2.354
    6   2HB   LEU   1          2HB       LEU   1  -5.230  -5.999  -1.568
    7    HG   LEU   1           HG       LEU   1  -7.684  -5.440   0.070
    8   1HD1  LEU   1          1HD1      LEU   1  -6.876  -8.032  -1.173
    9   2HD1  LEU   1          2HD1      LEU   1  -7.424  -8.065   0.502
   10   3HD1  LEU   1          3HD1      LEU   1  -8.484  -7.440  -0.760
   11   1HD2  LEU   1          1HD2      LEU   1  -5.176  -5.308   0.804
   12   2HD2  LEU   1          2HD2      LEU   1  -6.327  -6.128   1.860
   13   3HD2  LEU   1          3HD2      LEU   1  -5.264  -7.070   0.816
   14    H    GLY   2           H        GLY   2  -3.855  -3.254  -1.163
   15   1HA   GLY   2          1HA       GLY   2  -3.478  -2.206  -3.857
   16   2HA   GLY   2          2HA       GLY   2  -2.451  -3.572  -3.424
   17    H    ALA   3           H        ALA   3  -1.069  -3.336  -1.529
   18    HA   ALA   3           HA       ALA   3   0.390  -0.921  -1.534
   19   1HB   ALA   3          1HB       ALA   3  -1.254  -1.301   0.977
   20   2HB   ALA   3          2HB       ALA   3  -0.139   0.018   0.619
   21   3HB   ALA   3          3HB       ALA   3  -1.648  -0.132  -0.284
   22    H    SER   4           H        SER   4   2.376  -1.304  -0.742
   23    HA   SER   4           HA       SER   4   2.801  -3.304   1.332
   24   1HB   SER   4          1HB       SER   4   4.704  -4.198  -0.361
   25   2HB   SER   4          2HB       SER   4   3.107  -4.928  -0.243
   26    HG   SER   4           HG       SER   4   2.451  -3.669  -1.987
   27    H    TRP   5           H        TRP   5   4.587  -2.924   2.515
   28    HA   TRP   5           HA       TRP   5   6.213  -0.608   1.695
   29   1HB   TRP   5          1HB       TRP   5   4.780  -0.812   3.961
   30   2HB   TRP   5          2HB       TRP   5   6.287  -1.548   4.511
   31    HD1  TRP   5           HD1      TRP   5   5.156   1.597   2.594
   32    HE1  TRP   5           HE1      TRP   5   6.740   3.542   3.236
   33    HE3  TRP   5           HE3      TRP   5   8.366  -0.883   5.666
   34    HZ2  TRP   5           HZ2      TRP   5   9.079   3.965   4.854
   35    HZ3  TRP   5           HZ3      TRP   5  10.254   0.294   6.747
   36    HH2  TRP   5           HH2      TRP   5  10.617   2.715   6.346
   37    H    HIS   6           H        HIS   6   8.424  -0.583   2.190
   38    HA   HIS   6           HA       HIS   6   9.758  -3.078   2.882
   39   1HB   HIS   6          1HB       HIS   6   9.483  -2.195   0.148
   40   2HB   HIS   6          2HB       HIS   6  11.179  -2.097   0.620
   41    HD1  HIS   6           HD1      HIS   6  12.438  -4.238   0.430
   42    HD2  HIS   6           HD2      HIS   6   8.351  -4.908   0.904
   43    HE1  HIS   6           HE1      HIS   6  12.103  -6.744   0.277
   44    H    ARG   7           H        ARG   7  10.157   0.229   1.682
   45    HA   ARG   7           HA       ARG   7  11.457   1.266   3.907
   46   1HB   ARG   7          1HB       ARG   7  13.225  -0.331   2.235
   47   2HB   ARG   7          2HB       ARG   7  13.759   1.349   2.297
   48   1HG   ARG   7          1HG       ARG   7  13.912   1.326   4.668
   49   2HG   ARG   7          2HG       ARG   7  12.997  -0.175   4.790
   50   1HD   ARG   7          1HD       ARG   7  14.791  -1.485   4.119
   51   2HD   ARG   7          2HD       ARG   7  15.544  -0.175   3.216
   52    HE   ARG   7           HE       ARG   7  16.676   0.419   5.146
   53   1HH1  ARG   7          1HH1      ARG   7  13.931  -1.585   5.989
   54   2HH1  ARG   7          2HH1      ARG   7  14.373  -1.683   7.658
   55   1HH2  ARG   7          1HH2      ARG   7  17.213   0.264   7.333
   56   2HH2  ARG   7          2HH2      ARG   7  16.214  -0.646   8.415
   57    HA   PRO   8           HA       PRO   8  10.816   4.813   1.359
   58   1HB   PRO   8          1HB       PRO   8  12.226   6.684   2.758
   59   2HB   PRO   8          2HB       PRO   8  10.683   6.000   3.292
   60   1HG   PRO   8          1HG       PRO   8  13.405   5.513   4.332
   61   2HG   PRO   8          2HG       PRO   8  11.841   5.327   5.139
   62   1HD   PRO   8          1HD       PRO   8  13.453   3.251   4.016
   63   2HD   PRO   8          2HD       PRO   8  11.815   3.091   4.683
   64    H    ASP   9           H        ASP   9  12.572   3.337   0.026
   65    HA   ASP   9           HA       ASP   9  14.481   5.308  -1.018
   66   1HB   ASP   9          1HB       ASP   9  15.535   3.577   0.667
   67   2HB   ASP   9          2HB       ASP   9  15.429   2.484  -0.714
   68    H    LYS  10           H        LYS  10  14.241   5.452  -3.137
   69    HA   LYS  10           HA       LYS  10  13.713   4.952  -5.316
   70   1HB   LYS  10          1HB       LYS  10  15.317   2.890  -4.467
   71   2HB   LYS  10          2HB       LYS  10  13.884   2.023  -5.017
   72   1HG   LYS  10          1HG       LYS  10  14.979   2.193  -7.036
   73   2HG   LYS  10          2HG       LYS  10  14.127   3.737  -7.068
   74   1HD   LYS  10          1HD       LYS  10  16.347   4.348  -7.556
   75   2HD   LYS  10          2HD       LYS  10  16.218   4.661  -5.824
   76   1HE   LYS  10          1HE       LYS  10  17.444   2.747  -5.255
   77   2HE   LYS  10          2HE       LYS  10  17.132   1.968  -6.807
   78   1HZ   LYS  10          1HZ       LYS  10  18.432   3.998  -7.724
   79   2HZ   LYS  10          2HZ       LYS  10  19.055   4.090  -6.146
   80   3HZ   LYS  10          3HZ       LYS  10  19.281   2.683  -7.065

  No H/Q in entry =          80
  Start of MODEL   49
    1    H1   LEU   1           H1       LEU   1  -4.331  -9.748   1.831
    2    H2   LEU   1           H2       LEU   1  -3.107 -10.898   1.574
    3    H3   LEU   1           H3       LEU   1  -3.076  -9.918   2.959
    4    HA   LEU   1           HA       LEU   1  -1.557  -8.809   1.704
    5   1HB   LEU   1          1HB       LEU   1  -1.790  -8.611  -0.785
    6   2HB   LEU   1          2HB       LEU   1  -1.656 -10.275  -0.225
    7    HG   LEU   1           HG       LEU   1  -4.412  -9.740  -0.148
    8   1HD1  LEU   1          1HD1      LEU   1  -3.490  -7.745  -1.699
    9   2HD1  LEU   1          2HD1      LEU   1  -3.599  -9.013  -2.919
   10   3HD1  LEU   1          3HD1      LEU   1  -5.032  -8.543  -2.007
   11   1HD2  LEU   1          1HD2      LEU   1  -3.177 -11.831  -0.849
   12   2HD2  LEU   1          2HD2      LEU   1  -4.532 -11.408  -1.894
   13   3HD2  LEU   1          3HD2      LEU   1  -2.880 -11.062  -2.407
   14    H    GLY   2           H        GLY   2  -2.039  -6.895   2.641
   15   1HA   GLY   2          1HA       GLY   2  -3.843  -5.236   3.142
   16   2HA   GLY   2          2HA       GLY   2  -4.219  -5.297   1.422
   17    H    ALA   3           H        ALA   3  -2.094  -4.053   3.864
   18    HA   ALA   3           HA       ALA   3  -1.269  -1.855   2.276
   19   1HB   ALA   3          1HB       ALA   3  -0.464  -2.947   4.947
   20   2HB   ALA   3          2HB       ALA   3   0.531  -1.703   4.190
   21   3HB   ALA   3          3HB       ALA   3  -1.166  -1.380   4.545
   22    H    SER   4           H        SER   4   1.268  -1.384   2.310
   23    HA   SER   4           HA       SER   4   2.890  -3.682   1.608
   24   1HB   SER   4          1HB       SER   4   2.250  -1.612  -0.502
   25   2HB   SER   4          2HB       SER   4   3.392  -2.943  -0.667
   26    HG   SER   4           HG       SER   4   1.629  -4.371  -0.341
   27    H    TRP   5           H        TRP   5   4.996  -3.292   1.961
   28    HA   TRP   5           HA       TRP   5   6.122  -0.663   1.802
   29   1HB   TRP   5          1HB       TRP   5   4.864  -1.108   4.162
   30   2HB   TRP   5          2HB       TRP   5   6.471  -1.738   4.535
   31    HD1  TRP   5           HD1      TRP   5   5.039   1.328   2.713
   32    HE1  TRP   5           HE1      TRP   5   6.461   3.398   3.371
   33    HE3  TRP   5           HE3      TRP   5   8.423  -0.907   5.763
   34    HZ2  TRP   5           HZ2      TRP   5   8.767   3.989   4.996
   35    HZ3  TRP   5           HZ3      TRP   5  10.222   0.403   6.858
   36    HH2  TRP   5           HH2      TRP   5  10.398   2.847   6.478
   37    H    HIS   6           H        HIS   6   8.374  -0.594   2.371
   38    HA   HIS   6           HA       HIS   6   9.816  -3.086   2.710
   39   1HB   HIS   6          1HB       HIS   6   9.356  -2.040   0.080
   40   2HB   HIS   6          2HB       HIS   6  11.059  -1.805   0.466
   41    HD1  HIS   6           HD1      HIS   6  11.789  -3.707  -1.159
   42    HD2  HIS   6           HD2      HIS   6   9.252  -4.983   1.894
   43    HE1  HIS   6           HE1      HIS   6  11.874  -6.239  -1.167
   44    H    ARG   7           H        ARG   7  10.060   0.311   1.741
   45    HA   ARG   7           HA       ARG   7  11.266   1.392   3.931
   46   1HB   ARG   7          1HB       ARG   7  13.194  -0.262   2.456
   47   2HB   ARG   7          2HB       ARG   7  13.733   1.405   2.661
   48   1HG   ARG   7          1HG       ARG   7  13.817   1.248   4.956
   49   2HG   ARG   7          2HG       ARG   7  12.530   0.044   5.028
   50   1HD   ARG   7          1HD       ARG   7  13.986  -1.711   4.375
   51   2HD   ARG   7          2HD       ARG   7  15.224  -0.588   3.821
   52    HE   ARG   7           HE       ARG   7  16.013  -0.493   5.993
   53   1HH1  ARG   7          1HH1      ARG   7  12.722  -1.685   6.019
   54   2HH1  ARG   7          2HH1      ARG   7  12.735  -2.015   7.717
   55   1HH2  ARG   7          1HH2      ARG   7  15.987  -0.938   8.203
   56   2HH2  ARG   7          2HH2      ARG   7  14.567  -1.596   8.945
   57    HA   PRO   8           HA       PRO   8  10.974   4.804   1.141
   58   1HB   PRO   8          1HB       PRO   8  12.182   6.740   2.637
   59   2HB   PRO   8          2HB       PRO   8  10.572   6.086   2.975
   60   1HG   PRO   8          1HG       PRO   8  13.108   5.650   4.422
   61   2HG   PRO   8          2HG       PRO   8  11.443   5.500   4.999
   62   1HD   PRO   8          1HD       PRO   8  13.192   3.377   4.221
   63   2HD   PRO   8          2HD       PRO   8  11.474   3.245   4.655
   64    H    ASP   9           H        ASP   9  12.864   3.274   0.129
   65    HA   ASP   9           HA       ASP   9  14.705   3.270  -1.250
   66   1HB   ASP   9          1HB       ASP   9  13.711   5.570  -1.860
   67   2HB   ASP   9          2HB       ASP   9  14.968   6.241  -0.820
   68    H    LYS  10           H        LYS  10  16.828   2.864  -0.965
   69    HA   LYS  10           HA       LYS  10  17.920   2.890   1.637
   70   1HB   LYS  10          1HB       LYS  10  18.592   1.736  -0.819
   71   2HB   LYS  10          2HB       LYS  10  19.951   2.797  -0.459
   72   1HG   LYS  10          1HG       LYS  10  18.944   1.185   1.819
   73   2HG   LYS  10          2HG       LYS  10  19.725   0.277   0.526
   74   1HD   LYS  10          1HD       LYS  10  21.541   2.199   0.714
   75   2HD   LYS  10          2HD       LYS  10  20.879   2.360   2.342
   76   1HE   LYS  10          1HE       LYS  10  21.128  -0.331   2.220
   77   2HE   LYS  10          2HE       LYS  10  22.447   0.138   1.148
   78   1HZ   LYS  10          1HZ       LYS  10  23.180   1.686   2.933
   79   2HZ   LYS  10          2HZ       LYS  10  22.025   0.986   3.958
   80   3HZ   LYS  10          3HZ       LYS  10  23.298   0.043   3.345

  No H/Q in entry =          80
  Start of MODEL   50
    1    H1   LEU   1           H1       LEU   1  -0.430  -4.947  -1.843
    2    H2   LEU   1           H2       LEU   1  -1.161  -4.086  -0.579
    3    H3   LEU   1           H3       LEU   1  -1.956  -5.421  -1.266
    4    HA   LEU   1           HA       LEU   1  -2.558  -4.302  -3.153
    5   1HB   LEU   1          1HB       LEU   1  -2.360  -2.112  -1.063
    6   2HB   LEU   1          2HB       LEU   1  -3.461  -2.141  -2.440
    7    HG   LEU   1           HG       LEU   1  -3.444  -4.385  -0.427
    8   1HD1  LEU   1          1HD1      LEU   1  -3.852  -1.880   0.447
    9   2HD1  LEU   1          2HD1      LEU   1  -5.460  -2.197  -0.206
   10   3HD1  LEU   1          3HD1      LEU   1  -4.795  -3.245   1.048
   11   1HD2  LEU   1          1HD2      LEU   1  -4.633  -4.301  -2.788
   12   2HD2  LEU   1          2HD2      LEU   1  -5.485  -4.962  -1.392
   13   3HD2  LEU   1          3HD2      LEU   1  -5.814  -3.314  -1.927
   14    H    GLY   2           H        GLY   2  -0.268  -4.594  -4.076
   15   1HA   GLY   2          1HA       GLY   2   0.697  -1.935  -4.891
   16   2HA   GLY   2          2HA       GLY   2   0.983  -3.446  -5.751
   17    H    ALA   3           H        ALA   3   1.396  -2.802  -2.296
   18    HA   ALA   3           HA       ALA   3   3.960  -4.028  -2.202
   19   1HB   ALA   3          1HB       ALA   3   5.433  -2.247  -2.074
   20   2HB   ALA   3          2HB       ALA   3   4.171  -1.100  -1.628
   21   3HB   ALA   3          3HB       ALA   3   4.310  -1.652  -3.297
   22    H    SER   4           H        SER   4   4.519  -4.502  -0.126
   23    HA   SER   4           HA       SER   4   2.665  -3.554   1.965
   24   1HB   SER   4          1HB       SER   4   4.271  -6.047   1.578
   25   2HB   SER   4          2HB       SER   4   3.905  -5.528   3.219
   26    HG   SER   4           HG       SER   4   2.219  -6.431   1.191
   27    H    TRP   5           H        TRP   5   4.752  -1.905   1.041
   28    HA   TRP   5           HA       TRP   5   6.354  -0.510   1.871
   29   1HB   TRP   5          1HB       TRP   5   4.641  -0.860   3.937
   30   2HB   TRP   5          2HB       TRP   5   6.120  -1.495   4.659
   31    HD1  TRP   5           HD1      TRP   5   4.809   1.626   2.870
   32    HE1  TRP   5           HE1      TRP   5   6.225   3.657   3.641
   33    HE3  TRP   5           HE3      TRP   5   8.248  -0.773   5.740
   34    HZ2  TRP   5           HZ2      TRP   5   8.543   4.161   5.278
   35    HZ3  TRP   5           HZ3      TRP   5  10.038   0.476   6.893
   36    HH2  TRP   5           HH2      TRP   5  10.196   2.941   6.669
   37    H    HIS   6           H        HIS   6   8.369  -0.836   1.466
   38    HA   HIS   6           HA       HIS   6   9.766  -3.146   2.674
   39   1HB   HIS   6          1HB       HIS   6   9.864  -1.934  -0.026
   40   2HB   HIS   6          2HB       HIS   6  11.434  -2.322   0.674
   41    HD1  HIS   6           HD1      HIS   6  11.917  -4.833   1.223
   42    HD2  HIS   6           HD2      HIS   6   8.263  -4.183  -0.677
   43    HE1  HIS   6           HE1      HIS   6  11.095  -7.102   0.455
   44    H    ARG   7           H        ARG   7  10.041   0.231   1.695
   45    HA   ARG   7           HA       ARG   7  11.051   1.382   3.925
   46   1HB   ARG   7          1HB       ARG   7  13.149  -0.261   2.671
   47   2HB   ARG   7          2HB       ARG   7  13.627   1.418   2.924
   48   1HG   ARG   7          1HG       ARG   7  13.508   1.256   5.211
   49   2HG   ARG   7          2HG       ARG   7  12.199   0.076   5.165
   50   1HD   ARG   7          1HD       ARG   7  13.817  -1.639   4.367
   51   2HD   ARG   7          2HD       ARG   7  15.113  -0.458   4.520
   52    HE   ARG   7           HE       ARG   7  13.986  -0.472   7.002
   53   1HH1  ARG   7          1HH1      ARG   7  15.193  -2.987   4.888
   54   2HH1  ARG   7          2HH1      ARG   7  15.651  -4.023   6.195
   55   1HH2  ARG   7          1HH2      ARG   7  14.598  -1.854   8.676
   56   2HH2  ARG   7          2HH2      ARG   7  15.318  -3.389   8.322
   57    HA   PRO   8           HA       PRO   8  10.958   4.701   1.009
   58   1HB   PRO   8          1HB       PRO   8  11.956   6.714   2.555
   59   2HB   PRO   8          2HB       PRO   8  10.340   6.017   2.754
   60   1HG   PRO   8          1HG       PRO   8  12.733   5.704   4.456
   61   2HG   PRO   8          2HG       PRO   8  11.024   5.518   4.872
   62   1HD   PRO   8          1HD       PRO   8  12.902   3.431   4.334
   63   2HD   PRO   8          2HD       PRO   8  11.154   3.258   4.607
   64    H    ASP   9           H        ASP   9  13.020   3.184   0.278
   65    HA   ASP   9           HA       ASP   9  15.598   4.381   0.430
   66   1HB   ASP   9          1HB       ASP   9  14.506   2.483  -1.662
   67   2HB   ASP   9          2HB       ASP   9  16.209   2.842  -1.377
   68    H    LYS  10           H        LYS  10  16.784   5.055  -1.617
   69    HA   LYS  10           HA       LYS  10  15.093   6.992  -3.076
   70   1HB   LYS  10          1HB       LYS  10  17.882   7.079  -2.046
   71   2HB   LYS  10          2HB       LYS  10  17.569   7.890  -3.580
   72   1HG   LYS  10          1HG       LYS  10  15.454   8.808  -2.216
   73   2HG   LYS  10          2HG       LYS  10  16.540   8.528  -0.854
   74   1HD   LYS  10          1HD       LYS  10  18.183  10.010  -1.717
   75   2HD   LYS  10          2HD       LYS  10  17.435  10.034  -3.314
   76   1HE   LYS  10          1HE       LYS  10  15.616  11.356  -2.569
   77   2HE   LYS  10          2HE       LYS  10  15.965  11.026  -0.872
   78   1HZ   LYS  10          1HZ       LYS  10  17.847  12.470  -2.647
   79   2HZ   LYS  10          2HZ       LYS  10  16.669  13.266  -1.717
   80   3HZ   LYS  10          3HZ       LYS  10  17.887  12.361  -0.955

  No H/Q in entry =          80
  Start of MODEL   51
    1    H1   LEU   1           H1       LEU   1  -0.825  -7.533  -1.027
    2    H2   LEU   1           H2       LEU   1  -2.341  -7.945  -0.379
    3    H3   LEU   1           H3       LEU   1  -1.247  -9.166  -0.815
    4    HA   LEU   1           HA       LEU   1  -1.466  -8.682  -3.115
    5   1HB   LEU   1          1HB       LEU   1  -3.651  -9.461  -1.428
    6   2HB   LEU   1          2HB       LEU   1  -4.306  -8.495  -2.746
    7    HG   LEU   1           HG       LEU   1  -4.246 -10.865  -3.378
    8   1HD1  LEU   1          1HD1      LEU   1  -3.633  -8.926  -5.004
    9   2HD1  LEU   1          2HD1      LEU   1  -1.994  -9.570  -4.901
   10   3HD1  LEU   1          3HD1      LEU   1  -3.303 -10.584  -5.510
   11   1HD2  LEU   1          1HD2      LEU   1  -1.365 -10.591  -2.543
   12   2HD2  LEU   1          2HD2      LEU   1  -2.525 -11.851  -2.127
   13   3HD2  LEU   1          3HD2      LEU   1  -1.825 -11.796  -3.743
   14    H    GLY   2           H        GLY   2  -0.854  -6.780  -4.008
   15   1HA   GLY   2          1HA       GLY   2  -2.691  -4.473  -3.724
   16   2HA   GLY   2          2HA       GLY   2  -2.008  -4.941  -5.279
   17    H    ALA   3           H        ALA   3  -1.075  -3.990  -1.981
   18    HA   ALA   3           HA       ALA   3   1.385  -2.779  -3.094
   19   1HB   ALA   3          1HB       ALA   3  -0.274  -1.535  -0.894
   20   2HB   ALA   3          2HB       ALA   3  -0.429  -1.080  -2.592
   21   3HB   ALA   3          3HB       ALA   3   1.097  -0.823  -1.745
   22    H    SER   4           H        SER   4   2.788  -2.029  -1.096
   23    HA   SER   4           HA       SER   4   2.685  -3.462   1.328
   24   1HB   SER   4          1HB       SER   4   4.810  -4.901   0.668
   25   2HB   SER   4          2HB       SER   4   3.182  -5.517   0.399
   26    HG   SER   4           HG       SER   4   3.597  -5.495  -1.652
   27    H    TRP   5           H        TRP   5   4.523  -3.119   2.647
   28    HA   TRP   5           HA       TRP   5   6.034  -0.751   1.819
   29   1HB   TRP   5          1HB       TRP   5   4.696  -1.174   4.103
   30   2HB   TRP   5          2HB       TRP   5   6.259  -1.839   4.578
   31    HD1  TRP   5           HD1      TRP   5   4.771   1.380   3.069
   32    HE1  TRP   5           HE1      TRP   5   6.278   3.361   3.765
   33    HE3  TRP   5           HE3      TRP   5   8.465  -1.150   5.496
   34    HZ2  TRP   5           HZ2      TRP   5   8.743   3.799   5.173
   35    HZ3  TRP   5           HZ3      TRP   5  10.370   0.055   6.504
   36    HH2  TRP   5           HH2      TRP   5  10.520   2.526   6.349
   37    H    HIS   6           H        HIS   6   8.263  -0.583   2.177
   38    HA   HIS   6           HA       HIS   6   9.777  -3.044   2.658
   39   1HB   HIS   6          1HB       HIS   6   9.455  -1.765   0.055
   40   2HB   HIS   6          2HB       HIS   6  11.146  -1.826   0.542
   41    HD1  HIS   6           HD1      HIS   6  12.273  -4.126   0.659
   42    HD2  HIS   6           HD2      HIS   6   8.206  -4.351  -0.225
   43    HE1  HIS   6           HE1      HIS   6  11.822  -6.520  -0.031
   44    H    ARG   7           H        ARG   7  10.196   0.314   1.589
   45    HA   ARG   7           HA       ARG   7  11.269   1.397   3.899
   46   1HB   ARG   7          1HB       ARG   7  13.220  -0.237   2.410
   47   2HB   ARG   7          2HB       ARG   7  13.763   1.410   2.726
   48   1HG   ARG   7          1HG       ARG   7  13.902   1.077   4.975
   49   2HG   ARG   7          2HG       ARG   7  12.459   0.066   5.017
   50   1HD   ARG   7          1HD       ARG   7  13.647  -1.852   4.769
   51   2HD   ARG   7          2HD       ARG   7  14.732  -1.141   3.579
   52    HE   ARG   7           HE       ARG   7  15.357  -0.025   6.077
   53   1HH1  ARG   7          1HH1      ARG   7  15.440  -3.140   4.483
   54   2HH1  ARG   7          2HH1      ARG   7  16.783  -3.708   5.413
   55   1HH2  ARG   7          1HH2      ARG   7  17.108  -0.802   7.266
   56   2HH2  ARG   7          2HH2      ARG   7  17.721  -2.395   6.977
   57    HA   PRO   8           HA       PRO   8  11.058   4.825   1.107
   58   1HB   PRO   8          1HB       PRO   8  12.194   6.759   2.659
   59   2HB   PRO   8          2HB       PRO   8  10.577   6.092   2.932
   60   1HG   PRO   8          1HG       PRO   8  13.059   5.664   4.473
   61   2HG   PRO   8          2HG       PRO   8  11.374   5.503   4.986
   62   1HD   PRO   8          1HD       PRO   8  13.163   3.392   4.265
   63   2HD   PRO   8          2HD       PRO   8  11.430   3.250   4.632
   64    H    ASP   9           H        ASP   9  13.033   3.294   0.197
   65    HA   ASP   9           HA       ASP   9  15.324   5.125  -0.213
   66   1HB   ASP   9          1HB       ASP   9  15.206   2.160   0.161
   67   2HB   ASP   9          2HB       ASP   9  16.455   2.834  -0.887
   68    H    LYS  10           H        LYS  10  16.334   5.027  -2.317
   69    HA   LYS  10           HA       LYS  10  14.436   4.224  -4.446
   70   1HB   LYS  10          1HB       LYS  10  14.930   6.738  -4.067
   71   2HB   LYS  10          2HB       LYS  10  16.506   6.384  -4.776
   72   1HG   LYS  10          1HG       LYS  10  14.996   5.172  -6.613
   73   2HG   LYS  10          2HG       LYS  10  13.802   6.340  -6.046
   74   1HD   LYS  10          1HD       LYS  10  15.392   8.178  -6.456
   75   2HD   LYS  10          2HD       LYS  10  16.595   7.016  -7.016
   76   1HE   LYS  10          1HE       LYS  10  15.694   7.538  -9.060
   77   2HE   LYS  10          2HE       LYS  10  14.531   6.297  -8.596
   78   1HZ   LYS  10          1HZ       LYS  10  13.334   8.281  -7.472
   79   2HZ   LYS  10          2HZ       LYS  10  14.243   9.222  -8.556
   80   3HZ   LYS  10          3HZ       LYS  10  13.170   8.043  -9.143

  No H/Q in entry =          80
  Start of MODEL   52
    1    H1   LEU   1           H1       LEU   1  -1.077  -9.918  -4.453
    2    H2   LEU   1           H2       LEU   1  -2.693  -9.561  -4.824
    3    H3   LEU   1           H3       LEU   1  -1.438  -8.791  -5.671
    4    HA   LEU   1           HA       LEU   1  -2.083  -7.161  -4.191
    5   1HB   LEU   1          1HB       LEU   1  -2.482  -9.490  -2.314
    6   2HB   LEU   1          2HB       LEU   1  -2.389  -7.835  -1.710
    7    HG   LEU   1           HG       LEU   1  -4.284  -8.688  -3.913
    8   1HD1  LEU   1          1HD1      LEU   1  -4.527  -9.710  -1.470
    9   2HD1  LEU   1          2HD1      LEU   1  -5.198  -8.117  -1.120
   10   3HD1  LEU   1          3HD1      LEU   1  -5.940  -9.135  -2.354
   11   1HD2  LEU   1          1HD2      LEU   1  -3.806  -6.203  -2.287
   12   2HD2  LEU   1          2HD2      LEU   1  -4.066  -6.361  -4.024
   13   3HD2  LEU   1          3HD2      LEU   1  -5.422  -6.538  -2.910
   14    H    GLY   2           H        GLY   2  -0.668  -5.914  -2.946
   15   1HA   GLY   2          1HA       GLY   2   2.046  -6.328  -3.187
   16   2HA   GLY   2          2HA       GLY   2   1.624  -7.008  -1.618
   17    H    ALA   3           H        ALA   3   3.125  -4.513  -2.626
   18    HA   ALA   3           HA       ALA   3   3.483  -2.364  -1.888
   19   1HB   ALA   3          1HB       ALA   3   0.586  -1.952  -1.304
   20   2HB   ALA   3          2HB       ALA   3   1.735  -0.888  -2.117
   21   3HB   ALA   3          3HB       ALA   3   1.050  -2.267  -2.976
   22    H    SER   4           H        SER   4   3.768  -4.405  -0.012
   23    HA   SER   4           HA       SER   4   2.543  -3.392   2.464
   24   1HB   SER   4          1HB       SER   4   4.178  -5.869   1.892
   25   2HB   SER   4          2HB       SER   4   3.605  -5.411   3.492
   26    HG   SER   4           HG       SER   4   1.694  -6.113   2.966
   27    H    TRP   5           H        TRP   5   4.382  -1.678   1.286
   28    HA   TRP   5           HA       TRP   5   6.197  -0.401   1.848
   29   1HB   TRP   5          1HB       TRP   5   5.092  -1.119   4.240
   30   2HB   TRP   5          2HB       TRP   5   6.717  -1.780   4.414
   31    HD1  TRP   5           HD1      TRP   5   5.115   1.537   3.231
   32    HE1  TRP   5           HE1      TRP   5   6.628   3.478   4.037
   33    HE3  TRP   5           HE3      TRP   5   8.813  -1.131   5.488
   34    HZ2  TRP   5           HZ2      TRP   5   9.107   3.826   5.462
   35    HZ3  TRP   5           HZ3      TRP   5  10.731   0.008   6.565
   36    HH2  TRP   5           HH2      TRP   5  10.880   2.483   6.557
   37    H    HIS   6           H        HIS   6   8.495  -0.800   3.002
   38    HA   HIS   6           HA       HIS   6   9.882  -3.172   2.839
   39   1HB   HIS   6          1HB       HIS   6   9.146  -2.431   0.270
   40   2HB   HIS   6          2HB       HIS   6  10.767  -1.760   0.414
   41    HD1  HIS   6           HD1      HIS   6  11.849  -3.564  -1.114
   42    HD2  HIS   6           HD2      HIS   6   9.888  -5.127   2.213
   43    HE1  HIS   6           HE1      HIS   6  12.523  -6.003  -0.971
   44    H    ARG   7           H        ARG   7   9.994   0.230   1.934
   45    HA   ARG   7           HA       ARG   7  11.478   1.274   3.955
   46   1HB   ARG   7          1HB       ARG   7  13.215  -0.312   2.207
   47   2HB   ARG   7          2HB       ARG   7  13.741   1.367   2.335
   48   1HG   ARG   7          1HG       ARG   7  13.990   1.243   4.671
   49   2HG   ARG   7          2HG       ARG   7  12.979  -0.194   4.795
   50   1HD   ARG   7          1HD       ARG   7  14.744  -1.560   4.480
   51   2HD   ARG   7          2HD       ARG   7  15.266  -0.668   3.057
   52    HE   ARG   7           HE       ARG   7  16.845   0.373   4.382
   53   1HH1  ARG   7          1HH1      ARG   7  14.297  -0.888   6.425
   54   2HH1  ARG   7          2HH1      ARG   7  15.101  -0.451   7.892
   55   1HH2  ARG   7          1HH2      ARG   7  17.859   0.927   6.319
   56   2HH2  ARG   7          2HH2      ARG   7  17.101   0.568   7.835
   57    HA   PRO   8           HA       PRO   8  10.728   4.744   1.323
   58   1HB   PRO   8          1HB       PRO   8  12.102   6.673   2.677
   59   2HB   PRO   8          2HB       PRO   8  10.573   5.973   3.228
   60   1HG   PRO   8          1HG       PRO   8  13.303   5.564   4.277
   61   2HG   PRO   8          2HG       PRO   8  11.743   5.366   5.089
   62   1HD   PRO   8          1HD       PRO   8  13.394   3.298   4.015
   63   2HD   PRO   8          2HD       PRO   8  11.761   3.122   4.687
   64    H    ASP   9           H        ASP   9  12.516   3.267   0.030
   65    HA   ASP   9           HA       ASP   9  14.129   5.185  -1.364
   66   1HB   ASP   9          1HB       ASP   9  15.408   4.212   0.829
   67   2HB   ASP   9          2HB       ASP   9  15.863   3.000  -0.368
   68    H    LYS  10           H        LYS  10  15.774   3.715  -2.824
   69    HA   LYS  10           HA       LYS  10  15.894   2.262  -4.600
   70   1HB   LYS  10          1HB       LYS  10  15.358   0.674  -2.497
   71   2HB   LYS  10          2HB       LYS  10  13.897   0.389  -3.442
   72   1HG   LYS  10          1HG       LYS  10  15.239  -1.192  -4.432
   73   2HG   LYS  10          2HG       LYS  10  15.715   0.193  -5.416
   74   1HD   LYS  10          1HD       LYS  10  17.775   0.365  -4.424
   75   2HD   LYS  10          2HD       LYS  10  17.178  -0.167  -2.852
   76   1HE   LYS  10          1HE       LYS  10  18.546  -1.953  -3.609
   77   2HE   LYS  10          2HE       LYS  10  16.895  -2.485  -3.932
   78   1HZ   LYS  10          1HZ       LYS  10  17.176  -1.575  -6.212
   79   2HZ   LYS  10          2HZ       LYS  10  18.816  -1.318  -5.867
   80   3HZ   LYS  10          3HZ       LYS  10  18.187  -2.896  -5.865

  No H/Q in entry =          80
  Start of MODEL   53
    1    H1   LEU   1           H1       LEU   1  -3.034 -10.055   6.943
    2    H2   LEU   1           H2       LEU   1  -2.921  -9.880   8.629
    3    H3   LEU   1           H3       LEU   1  -4.358  -9.468   7.831
    4    HA   LEU   1           HA       LEU   1  -3.502  -7.536   6.946
    5   1HB   LEU   1          1HB       LEU   1  -2.127  -7.998   9.611
    6   2HB   LEU   1          2HB       LEU   1  -2.278  -6.424   8.829
    7    HG   LEU   1           HG       LEU   1  -4.751  -8.067   9.217
    8   1HD1  LEU   1          1HD1      LEU   1  -3.340  -7.957  11.392
    9   2HD1  LEU   1          2HD1      LEU   1  -3.731  -6.237  11.388
   10   3HD1  LEU   1          3HD1      LEU   1  -5.022  -7.435  11.476
   11   1HD2  LEU   1          1HD2      LEU   1  -4.732  -5.907   7.957
   12   2HD2  LEU   1          2HD2      LEU   1  -5.765  -5.850   9.384
   13   3HD2  LEU   1          3HD2      LEU   1  -4.172  -5.094   9.419
   14    H    GLY   2           H        GLY   2  -1.529  -6.149   6.587
   15   1HA   GLY   2          1HA       GLY   2   0.552  -7.791   5.354
   16   2HA   GLY   2          2HA       GLY   2   1.079  -6.672   6.608
   17    H    ALA   3           H        ALA   3   0.384  -4.368   6.297
   18    HA   ALA   3           HA       ALA   3  -0.453  -3.358   3.798
   19   1HB   ALA   3          1HB       ALA   3   1.243  -1.994   5.904
   20   2HB   ALA   3          2HB       ALA   3   0.372  -1.191   4.599
   21   3HB   ALA   3          3HB       ALA   3  -0.520  -2.023   5.871
   22    H    SER   4           H        SER   4   0.673  -2.535   2.055
   23    HA   SER   4           HA       SER   4   3.113  -3.812   1.385
   24   1HB   SER   4          1HB       SER   4   2.992  -1.757  -0.399
   25   2HB   SER   4          2HB       SER   4   2.118  -3.274  -0.581
   26    HG   SER   4           HG       SER   4   1.093  -0.890  -0.411
   27    H    TRP   5           H        TRP   5   5.128  -3.291   1.771
   28    HA   TRP   5           HA       TRP   5   6.156  -0.690   1.855
   29   1HB   TRP   5          1HB       TRP   5   4.776  -1.144   4.153
   30   2HB   TRP   5          2HB       TRP   5   6.382  -1.712   4.619
   31    HD1  TRP   5           HD1      TRP   5   4.866   1.288   2.763
   32    HE1  TRP   5           HE1      TRP   5   6.198   3.414   3.433
   33    HE3  TRP   5           HE3      TRP   5   8.353  -0.810   5.806
   34    HZ2  TRP   5           HZ2      TRP   5   8.476   4.097   5.060
   35    HZ3  TRP   5           HZ3      TRP   5  10.086   0.572   6.905
   36    HH2  TRP   5           HH2      TRP   5  10.155   3.022   6.535
   37    H    HIS   6           H        HIS   6   8.322  -0.617   1.970
   38    HA   HIS   6           HA       HIS   6   9.805  -3.088   2.576
   39   1HB   HIS   6          1HB       HIS   6   9.589  -1.718  -0.017
   40   2HB   HIS   6          2HB       HIS   6  11.252  -1.949   0.510
   41    HD1  HIS   6           HD1      HIS   6  11.257  -3.698  -1.590
   42    HD2  HIS   6           HD2      HIS   6   9.019  -4.816   1.745
   43    HE1  HIS   6           HE1      HIS   6  10.843  -6.187  -1.806
   44    H    ARG   7           H        ARG   7  10.039   0.334   1.722
   45    HA   ARG   7           HA       ARG   7  11.073   1.470   3.934
   46   1HB   ARG   7          1HB       ARG   7  13.152  -0.224   2.708
   47   2HB   ARG   7          2HB       ARG   7  13.658   1.446   2.970
   48   1HG   ARG   7          1HG       ARG   7  13.413   1.309   5.271
   49   2HG   ARG   7          2HG       ARG   7  12.205   0.028   5.171
   50   1HD   ARG   7          1HD       ARG   7  14.028  -1.210   5.866
   51   2HD   ARG   7          2HD       ARG   7  14.227  -1.333   4.122
   52    HE   ARG   7           HE       ARG   7  15.590   0.949   5.226
   53   1HH1  ARG   7          1HH1      ARG   7  15.807  -2.503   4.678
   54   2HH1  ARG   7          2HH1      ARG   7  17.536  -2.508   4.684
   55   1HH2  ARG   7          1HH2      ARG   7  17.844   0.895   5.226
   56   2HH2  ARG   7          2HH2      ARG   7  18.682  -0.603   4.991
   57    HA   PRO   8           HA       PRO   8  11.096   4.753   0.968
   58   1HB   PRO   8          1HB       PRO   8  12.095   6.767   2.513
   59   2HB   PRO   8          2HB       PRO   8  10.460   6.106   2.679
   60   1HG   PRO   8          1HG       PRO   8  12.803   5.766   4.444
   61   2HG   PRO   8          2HG       PRO   8  11.081   5.624   4.821
   62   1HD   PRO   8          1HD       PRO   8  12.922   3.487   4.362
   63   2HD   PRO   8          2HD       PRO   8  11.165   3.357   4.584
   64    H    ASP   9           H        ASP   9  13.150   3.183   0.320
   65    HA   ASP   9           HA       ASP   9  15.302   5.088  -0.312
   66   1HB   ASP   9          1HB       ASP   9  15.783   3.384   1.670
   67   2HB   ASP   9          2HB       ASP   9  16.088   2.279   0.329
   68    H    LYS  10           H        LYS  10  16.333   4.718  -2.275
   69    HA   LYS  10           HA       LYS  10  14.805   3.477  -4.299
   70   1HB   LYS  10          1HB       LYS  10  16.869   3.832  -5.701
   71   2HB   LYS  10          2HB       LYS  10  16.263   5.282  -4.907
   72   1HG   LYS  10          1HG       LYS  10  18.124   3.886  -3.169
   73   2HG   LYS  10          2HG       LYS  10  18.871   4.205  -4.733
   74   1HD   LYS  10          1HD       LYS  10  17.309   6.434  -3.528
   75   2HD   LYS  10          2HD       LYS  10  18.838   6.028  -2.748
   76   1HE   LYS  10          1HE       LYS  10  19.658   5.992  -5.309
   77   2HE   LYS  10          2HE       LYS  10  18.332   7.146  -5.462
   78   1HZ   LYS  10          1HZ       LYS  10  20.521   7.341  -3.464
   79   2HZ   LYS  10          2HZ       LYS  10  20.463   8.207  -4.924
   80   3HZ   LYS  10          3HZ       LYS  10  19.290   8.478  -3.726

  No H/Q in entry =          80
  Start of MODEL   54
    1    H1   LEU   1           H1       LEU   1   1.434   7.480   1.914
    2    H2   LEU   1           H2       LEU   1   0.221   8.396   1.155
    3    H3   LEU   1           H3       LEU   1   0.219   8.213   2.843
    4    HA   LEU   1           HA       LEU   1  -1.356   6.679   2.313
    5   1HB   LEU   1          1HB       LEU   1  -1.222   5.301   0.232
    6   2HB   LEU   1          2HB       LEU   1  -1.269   7.033  -0.096
    7    HG   LEU   1           HG       LEU   1   1.408   6.685   0.094
    8   1HD1  LEU   1          1HD1      LEU   1   0.629   4.104   0.289
    9   2HD1  LEU   1          2HD1      LEU   1   0.734   4.246  -1.465
   10   3HD1  LEU   1          3HD1      LEU   1   2.146   4.589  -0.467
   11   1HD2  LEU   1          1HD2      LEU   1  -0.544   6.561  -2.164
   12   2HD2  LEU   1          2HD2      LEU   1   0.713   7.752  -1.834
   13   3HD2  LEU   1          3HD2      LEU   1   1.141   6.184  -2.521
   14    H    GLY   2           H        GLY   2  -1.259   4.142   2.033
   15   1HA   GLY   2          1HA       GLY   2  -0.556   2.416   3.523
   16   2HA   GLY   2          2HA       GLY   2   0.985   3.248   3.718
   17    H    ALA   3           H        ALA   3  -0.942   1.189   1.630
   18    HA   ALA   3           HA       ALA   3  -0.370  -0.292  -0.035
   19   1HB   ALA   3          1HB       ALA   3   0.180   1.355  -1.563
   20   2HB   ALA   3          2HB       ALA   3   1.724   0.515  -1.428
   21   3HB   ALA   3          3HB       ALA   3   1.459   2.019  -0.547
   22    H    SER   4           H        SER   4   1.741  -1.467  -0.971
   23    HA   SER   4           HA       SER   4   2.811  -2.955   1.179
   24   1HB   SER   4          1HB       SER   4   3.987  -2.783  -1.599
   25   2HB   SER   4          2HB       SER   4   4.119  -4.117  -0.458
   26    HG   SER   4           HG       SER   4   2.225  -3.646  -2.275
   27    H    TRP   5           H        TRP   5   4.571  -2.729   2.362
   28    HA   TRP   5           HA       TRP   5   6.292  -0.408   1.791
   29   1HB   TRP   5          1HB       TRP   5   4.924  -0.896   4.060
   30   2HB   TRP   5          2HB       TRP   5   6.429  -1.736   4.440
   31    HD1  TRP   5           HD1      TRP   5   5.307   1.684   3.057
   32    HE1  TRP   5           HE1      TRP   5   6.968   3.478   3.904
   33    HE3  TRP   5           HE3      TRP   5   8.585  -1.293   5.574
   34    HZ2  TRP   5           HZ2      TRP   5   9.387   3.609   5.451
   35    HZ3  TRP   5           HZ3      TRP   5  10.550  -0.325   6.722
   36    HH2  TRP   5           HH2      TRP   5  10.958   2.122   6.667
   37    H    HIS   6           H        HIS   6   8.517  -0.644   2.774
   38    HA   HIS   6           HA       HIS   6   9.810  -3.123   3.029
   39   1HB   HIS   6          1HB       HIS   6   9.219  -2.502   0.347
   40   2HB   HIS   6          2HB       HIS   6  10.919  -2.087   0.548
   41    HD1  HIS   6           HD1      HIS   6  11.849  -4.147  -0.699
   42    HD2  HIS   6           HD2      HIS   6   9.324  -5.130   2.467
   43    HE1  HIS   6           HE1      HIS   6  12.086  -6.645  -0.345
   44    H    ARG   7           H        ARG   7  10.068   0.190   1.857
   45    HA   ARG   7           HA       ARG   7  11.671   1.181   3.883
   46   1HB   ARG   7          1HB       ARG   7  13.209  -0.331   1.899
   47   2HB   ARG   7          2HB       ARG   7  13.759   1.338   2.052
   48   1HG   ARG   7          1HG       ARG   7  14.373   1.084   4.267
   49   2HG   ARG   7          2HG       ARG   7  13.197  -0.199   4.557
   50   1HD   ARG   7          1HD       ARG   7  15.053  -1.528   4.448
   51   2HD   ARG   7          2HD       ARG   7  14.752  -1.423   2.717
   52    HE   ARG   7           HE       ARG   7  16.709  -0.208   2.524
   53   1HH1  ARG   7          1HH1      ARG   7  15.595  -0.063   5.839
   54   2HH1  ARG   7          2HH1      ARG   7  16.997   0.783   6.394
   55   1HH2  ARG   7          1HH2      ARG   7  18.520   0.898   3.289
   56   2HH2  ARG   7          2HH2      ARG   7  18.641   1.324   4.964
   57    HA   PRO   8           HA       PRO   8  10.649   4.751   1.495
   58   1HB   PRO   8          1HB       PRO   8  12.137   6.632   2.796
   59   2HB   PRO   8          2HB       PRO   8  10.674   5.889   3.460
   60   1HG   PRO   8          1HG       PRO   8  13.497   5.467   4.220
   61   2HG   PRO   8          2HG       PRO   8  12.025   5.207   5.168
   62   1HD   PRO   8          1HD       PRO   8  13.588   3.220   3.831
   63   2HD   PRO   8          2HD       PRO   8  12.033   2.983   4.660
   64    H    ASP   9           H        ASP   9  12.317   3.358  -0.038
   65    HA   ASP   9           HA       ASP   9  14.543   5.133  -0.805
   66   1HB   ASP   9          1HB       ASP   9  15.273   3.201  -2.219
   67   2HB   ASP   9          2HB       ASP   9  15.217   2.826  -0.496
   68    H    LYS  10           H        LYS  10  12.035   6.107  -1.369
   69    HA   LYS  10           HA       LYS  10  10.797   7.017  -3.079
   70   1HB   LYS  10          1HB       LYS  10  13.286   7.318  -3.920
   71   2HB   LYS  10          2HB       LYS  10  12.796   6.113  -5.110
   72   1HG   LYS  10          1HG       LYS  10  10.729   7.603  -5.502
   73   2HG   LYS  10          2HG       LYS  10  11.619   8.851  -4.629
   74   1HD   LYS  10          1HD       LYS  10  13.545   8.037  -6.350
   75   2HD   LYS  10          2HD       LYS  10  12.112   7.712  -7.327
   76   1HE   LYS  10          1HE       LYS  10  12.159  10.322  -5.908
   77   2HE   LYS  10          2HE       LYS  10  13.306  10.138  -7.235
   78   1HZ   LYS  10          1HZ       LYS  10  11.440   9.393  -8.635
   79   2HZ   LYS  10          2HZ       LYS  10  10.368   9.730  -7.361
   80   3HZ   LYS  10          3HZ       LYS  10  11.249  10.987  -8.082

  No H/Q in entry =          80
  Start of MODEL   55
    1    H1   LEU   1           H1       LEU   1  -7.030  -3.994  -0.620
    2    H2   LEU   1           H2       LEU   1  -8.128  -4.507   0.566
    3    H3   LEU   1           H3       LEU   1  -8.426  -3.078  -0.305
    4    HA   LEU   1           HA       LEU   1  -6.762  -1.897   0.778
    5   1HB   LEU   1          1HB       LEU   1  -8.023  -3.822   2.756
    6   2HB   LEU   1          2HB       LEU   1  -7.200  -2.325   3.201
    7    HG   LEU   1           HG       LEU   1  -8.900  -1.353   1.343
    8   1HD1  LEU   1          1HD1      LEU   1  -9.876  -3.649   1.015
    9   2HD1  LEU   1          2HD1      LEU   1 -10.433  -3.598   2.687
   10   3HD1  LEU   1          3HD1      LEU   1 -11.061  -2.442   1.513
   11   1HD2  LEU   1          1HD2      LEU   1  -9.451  -1.903   4.274
   12   2HD2  LEU   1          2HD2      LEU   1  -8.708  -0.459   3.585
   13   3HD2  LEU   1          3HD2      LEU   1 -10.412  -0.800   3.288
   14    H    GLY   2           H        GLY   2  -4.744  -2.597  -0.074
   15   1HA   GLY   2          1HA       GLY   2  -3.121  -4.599   0.078
   16   2HA   GLY   2          2HA       GLY   2  -3.220  -4.287   1.808
   17    H    ALA   3           H        ALA   3  -1.691  -3.019   2.621
   18    HA   ALA   3           HA       ALA   3  -0.417  -1.011   0.858
   19   1HB   ALA   3          1HB       ALA   3  -0.199  -0.948   3.851
   20   2HB   ALA   3          2HB       ALA   3  -0.090   0.382   2.698
   21   3HB   ALA   3          3HB       ALA   3  -1.656  -0.339   3.067
   22    H    SER   4           H        SER   4   1.184  -2.305  -0.016
   23    HA   SER   4           HA       SER   4   2.876  -3.933   1.668
   24   1HB   SER   4          1HB       SER   4   3.337  -3.155  -1.215
   25   2HB   SER   4          2HB       SER   4   4.054  -4.509  -0.347
   26    HG   SER   4           HG       SER   4   1.278  -4.133  -0.842
   27    H    TRP   5           H        TRP   5   4.757  -3.426   2.540
   28    HA   TRP   5           HA       TRP   5   5.914  -0.788   1.897
   29   1HB   TRP   5          1HB       TRP   5   4.861  -1.446   4.297
   30   2HB   TRP   5          2HB       TRP   5   6.517  -2.009   4.532
   31    HD1  TRP   5           HD1      TRP   5   4.735   1.118   3.160
   32    HE1  TRP   5           HE1      TRP   5   6.122   3.198   3.845
   33    HE3  TRP   5           HE3      TRP   5   8.603  -1.173   5.534
   34    HZ2  TRP   5           HZ2      TRP   5   8.578   3.785   5.228
   35    HZ3  TRP   5           HZ3      TRP   5  10.448   0.145   6.528
   36    HH2  TRP   5           HH2      TRP   5  10.440   2.620   6.379
   37    H    HIS   6           H        HIS   6   8.232  -0.638   2.616
   38    HA   HIS   6           HA       HIS   6   9.828  -3.035   2.572
   39   1HB   HIS   6          1HB       HIS   6   9.181  -1.817   0.079
   40   2HB   HIS   6          2HB       HIS   6  10.865  -1.425   0.417
   41    HD1  HIS   6           HD1      HIS   6  11.854  -3.093  -1.282
   42    HD2  HIS   6           HD2      HIS   6   9.347  -4.889   1.523
   43    HE1  HIS   6           HE1      HIS   6  12.180  -5.593  -1.529
   44    H    ARG   7           H        ARG   7  10.178   0.361   1.602
   45    HA   ARG   7           HA       ARG   7  11.225   1.458   3.891
   46   1HB   ARG   7          1HB       ARG   7  13.218  -0.226   2.517
   47   2HB   ARG   7          2HB       ARG   7  13.761   1.423   2.834
   48   1HG   ARG   7          1HG       ARG   7  13.764   1.138   5.099
   49   2HG   ARG   7          2HG       ARG   7  12.347   0.089   5.072
   50   1HD   ARG   7          1HD       ARG   7  14.408  -1.133   5.738
   51   2HD   ARG   7          2HD       ARG   7  13.693  -1.777   4.264
   52    HE   ARG   7           HE       ARG   7  15.686   0.214   3.710
   53   1HH1  ARG   7          1HH1      ARG   7  15.218  -3.147   4.567
   54   2HH1  ARG   7          2HH1      ARG   7  16.717  -3.652   3.864
   55   1HH2  ARG   7          1HH2      ARG   7  17.631  -0.487   2.808
   56   2HH2  ARG   7          2HH2      ARG   7  18.072  -2.161   2.878
   57    HA   PRO   8           HA       PRO   8  11.156   4.812   1.002
   58   1HB   PRO   8          1HB       PRO   8  12.148   6.791   2.596
   59   2HB   PRO   8          2HB       PRO   8  10.522   6.109   2.758
   60   1HG   PRO   8          1HG       PRO   8  12.881   5.748   4.495
   61   2HG   PRO   8          2HG       PRO   8  11.163   5.567   4.877
   62   1HD   PRO   8          1HD       PRO   8  13.038   3.477   4.334
   63   2HD   PRO   8          2HD       PRO   8  11.290   3.310   4.580
   64    H    ASP   9           H        ASP   9  13.214   3.287   0.280
   65    HA   ASP   9           HA       ASP   9  15.249   3.277  -0.795
   66   1HB   ASP   9          1HB       ASP   9  14.113   5.465  -1.691
   67   2HB   ASP   9          2HB       ASP   9  15.327   6.272  -0.697
   68    H    LYS  10           H        LYS  10  15.284   3.051   2.000
   69    HA   LYS  10           HA       LYS  10  17.710   4.565   2.755
   70   1HB   LYS  10          1HB       LYS  10  15.661   3.200   4.519
   71   2HB   LYS  10          2HB       LYS  10  17.096   4.053   5.090
   72   1HG   LYS  10          1HG       LYS  10  15.187   5.465   3.252
   73   2HG   LYS  10          2HG       LYS  10  14.788   5.319   4.964
   74   1HD   LYS  10          1HD       LYS  10  16.536   6.667   5.635
   75   2HD   LYS  10          2HD       LYS  10  17.547   6.217   4.261
   76   1HE   LYS  10          1HE       LYS  10  16.821   8.529   3.992
   77   2HE   LYS  10          2HE       LYS  10  16.037   7.530   2.769
   78   1HZ   LYS  10          1HZ       LYS  10  14.705   7.982   5.351
   79   2HZ   LYS  10          2HZ       LYS  10  14.645   9.190   4.158
   80   3HZ   LYS  10          3HZ       LYS  10  14.022   7.643   3.835

  No H/Q in entry =          80