*HEADER    CHEMOKINE                               07-DEC-00   1HFN
*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 1-71
*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, 38 STRUCTURES
*AUTHOR    M.P.CRUMP,E.ELISSEEVA,J.H.GONG,I.CLARK-LEWIS,B.D.SYKES
*REVDAT   1   07-DEC-00 1HFN    0




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           H1       LEU   1  12.379 -24.273 -16.301
    2    H2   LEU   1           H2       LEU   1  13.667 -24.102 -17.390
    3    H3   LEU   1           H3       LEU   1  13.978 -24.449 -15.757
    4    HA   LEU   1           HA       LEU   1  14.437 -22.190 -15.919
    5   1HB   LEU   1          1HB       LEU   1  13.160 -22.191 -18.226
    6   2HB   LEU   1          2HB       LEU   1  11.807 -21.619 -17.250
    7    HG   LEU   1           HG       LEU   1  14.441 -20.300 -16.808
    8   1HD1  LEU   1          1HD1      LEU   1  12.923 -20.261 -19.375
    9   2HD1  LEU   1          2HD1      LEU   1  13.534 -18.720 -18.775
   10   3HD1  LEU   1          3HD1      LEU   1  14.650 -20.050 -19.088
   11   1HD2  LEU   1          1HD2      LEU   1  11.519 -19.661 -16.687
   12   2HD2  LEU   1          2HD2      LEU   1  12.786 -19.331 -15.506
   13   3HD2  LEU   1          3HD2      LEU   1  12.648 -18.332 -16.952
   14    H    GLY   2           H        GLY   2  14.208 -21.844 -13.794
   15   1HA   GLY   2          1HA       GLY   2  12.934 -22.151 -11.737
   16   2HA   GLY   2          2HA       GLY   2  11.475 -21.791 -12.656
   17    H    ALA   3           H        ALA   3  11.160 -19.612 -13.413
   18    HA   ALA   3           HA       ALA   3  12.849 -17.549 -12.174
   19   1HB   ALA   3          1HB       ALA   3  10.642 -17.363 -14.237
   20   2HB   ALA   3          2HB       ALA   3  11.521 -15.978 -13.591
   21   3HB   ALA   3          3HB       ALA   3  12.373 -17.206 -14.528
   22    H    SER   4           H        SER   4   9.345 -17.798 -12.768
   23    HA   SER   4           HA       SER   4   8.563 -17.780 -10.053
   24   1HB   SER   4          1HB       SER   4   8.978 -15.119 -11.342
   25   2HB   SER   4          2HB       SER   4   7.575 -15.328 -10.299
   26    HG   SER   4           HG       SER   4   9.843 -14.717  -9.436
   27    H    TRP   5           H        TRP   5   7.073 -19.269 -10.815
   28    HA   TRP   5           HA       TRP   5   5.121 -18.385 -12.820
   29   1HB   TRP   5          1HB       TRP   5   6.296 -20.791 -12.539
   30   2HB   TRP   5          2HB       TRP   5   4.874 -21.052 -11.530
   31    HD1  TRP   5           HD1      TRP   5   5.727 -19.774 -15.079
   32    HE1  TRP   5           HE1      TRP   5   3.793 -20.429 -16.653
   33    HE3  TRP   5           HE3      TRP   5   2.530 -21.899 -11.711
   34    HZ2  TRP   5           HZ2      TRP   5   1.228 -21.688 -16.503
   35    HZ3  TRP   5           HZ3      TRP   5   0.351 -22.817 -12.452
   36    HH2  TRP   5           HH2      TRP   5  -0.303 -22.714 -14.842
   37    H    HIS   6           H        HIS   6   2.801 -19.207 -12.305
   38    HA   HIS   6           HA       HIS   6   0.885 -18.928 -11.064
   39   1HB   HIS   6          1HB       HIS   6   2.883 -19.813  -9.032
   40   2HB   HIS   6          2HB       HIS   6   1.351 -19.159  -8.455
   41    HD1  HIS   6           HD1      HIS   6   2.748 -22.289  -9.194
   42    HD2  HIS   6           HD2      HIS   6  -0.869 -20.500 -10.238
   43    HE1  HIS   6           HE1      HIS   6   1.180 -24.169  -9.843
   44    H    ARG   7           H        ARG   7   0.115 -16.923 -11.169
   45    HA   ARG   7           HA       ARG   7   0.525 -15.051  -9.083
   46   1HB   ARG   7          1HB       ARG   7   1.581 -13.241 -10.496
   47   2HB   ARG   7          2HB       ARG   7   2.663 -14.562 -10.055
   48   1HG   ARG   7          1HG       ARG   7   2.854 -15.300 -12.206
   49   2HG   ARG   7          2HG       ARG   7   1.166 -14.955 -12.580
   50   1HD   ARG   7          1HD       ARG   7   3.042 -12.665 -12.126
   51   2HD   ARG   7          2HD       ARG   7   3.102 -13.516 -13.665
   52    HE   ARG   7           HE       ARG   7   0.422 -12.775 -12.916
   53   1HH1  ARG   7          1HH1      ARG   7   3.388 -11.630 -14.381
   54   2HH1  ARG   7          2HH1      ARG   7   2.591 -10.406 -15.307
   55   1HH2  ARG   7          1HH2      ARG   7  -0.577 -11.166 -14.141
   56   2HH2  ARG   7          2HH2      ARG   7   0.366 -10.144 -15.174
   57    HA   PRO   8           HA       PRO   8  -3.200 -14.368 -11.701
   58   1HB   PRO   8          1HB       PRO   8  -5.028 -14.568  -9.680
   59   2HB   PRO   8          2HB       PRO   8  -4.417 -15.955 -10.594
   60   1HG   PRO   8          1HG       PRO   8  -3.812 -15.119  -7.822
   61   2HG   PRO   8          2HG       PRO   8  -3.723 -16.725  -8.560
   62   1HD   PRO   8          1HD       PRO   8  -1.542 -14.971  -8.035
   63   2HD   PRO   8          2HD       PRO   8  -1.491 -16.486  -8.967
   64    H    ASP   9           H        ASP   9  -2.738 -12.190 -12.070
   65    HA   ASP   9           HA       ASP   9  -3.096  -9.925 -11.918
   66   1HB   ASP   9          1HB       ASP   9  -5.341 -10.889 -10.795
   67   2HB   ASP   9          2HB       ASP   9  -4.648 -10.083  -9.389
   68    H    LYS  10           H        LYS  10  -3.098 -10.968  -8.517
   69    HA   LYS  10           HA       LYS  10  -0.445 -10.244  -7.941
   70   1HB   LYS  10          1HB       LYS  10  -2.349  -8.017  -7.997
   71   2HB   LYS  10          2HB       LYS  10  -1.518  -8.165  -6.450
   72   1HG   LYS  10          1HG       LYS  10   0.507  -7.601  -7.334
   73   2HG   LYS  10          2HG       LYS  10   0.209  -8.476  -8.836
   74   1HD   LYS  10          1HD       LYS  10  -1.508  -6.597  -9.343
   75   2HD   LYS  10          2HD       LYS  10  -0.674  -5.696  -8.076
   76   1HE   LYS  10          1HE       LYS  10   1.478  -6.059  -9.283
   77   2HE   LYS  10          2HE       LYS  10   0.587  -6.855 -10.580
   78   1HZ   LYS  10          1HZ       LYS  10   0.117  -4.072  -9.656
   79   2HZ   LYS  10          2HZ       LYS  10   1.013  -4.499 -11.035
   80   3HZ   LYS  10          3HZ       LYS  10  -0.650  -4.842 -10.958
   81    H    CYS  11           H        CYS  11  -3.367  -9.366  -6.137
   82    HA   CYS  11           HA       CYS  11  -4.214 -10.096  -4.131
   83   1HB   CYS  11          1HB       CYS  11  -2.913 -12.697  -4.967
   84   2HB   CYS  11          2HB       CYS  11  -4.127 -12.517  -3.701
   85    H    CYS  12           H        CYS  12  -3.242  -9.108  -2.466
   86    HA   CYS  12           HA       CYS  12  -0.609 -10.136  -1.586
   87   1HB   CYS  12          1HB       CYS  12  -1.034  -7.606  -2.273
   88   2HB   CYS  12          2HB       CYS  12  -1.657  -7.509  -0.627
   89    H    LEU  13           H        LEU  13  -1.553 -11.830  -0.375
   90    HA   LEU  13           HA       LEU  13  -3.572 -11.499   1.567
   91   1HB   LEU  13          1HB       LEU  13  -2.669 -13.594   2.549
   92   2HB   LEU  13          2HB       LEU  13  -3.012 -13.699   0.836
   93    HG   LEU  13           HG       LEU  13  -0.405 -13.070   0.692
   94   1HD1  LEU  13          1HD1      LEU  13  -0.626 -13.204   3.378
   95   2HD1  LEU  13          2HD1      LEU  13  -0.286 -14.901   3.035
   96   3HD1  LEU  13          3HD1      LEU  13   0.849 -13.652   2.523
   97   1HD2  LEU  13          1HD2      LEU  13  -1.677 -15.101  -0.180
   98   2HD2  LEU  13          2HD2      LEU  13  -0.004 -15.403   0.292
   99   3HD2  LEU  13          3HD2      LEU  13  -1.322 -15.878   1.364
  100    H    GLY  14           H        GLY  14  -0.105 -10.997   1.647
  101   1HA   GLY  14          1HA       GLY  14   1.307 -10.479   3.452
  102   2HA   GLY  14          2HA       GLY  14  -0.079 -10.567   4.534
  103    H    TYR  15           H        TYR  15   0.528  -8.589   5.510
  104    HA   TYR  15           HA       TYR  15   0.288  -6.185   3.812
  105   1HB   TYR  15          1HB       TYR  15  -1.177  -6.707   6.408
  106   2HB   TYR  15          2HB       TYR  15  -1.067  -5.126   5.634
  107    HD1  TYR  15           HD1      TYR  15  -2.103  -4.730   3.427
  108    HD2  TYR  15           HD2      TYR  15  -2.587  -8.455   5.502
  109    HE1  TYR  15           HE1      TYR  15  -3.992  -5.307   1.936
  110    HE2  TYR  15           HE2      TYR  15  -4.481  -9.038   4.010
  111    HH   TYR  15           HH       TYR  15  -6.230  -7.372   2.525
  112    H    GLN  16           H        GLN  16   0.915  -4.185   5.123
  113    HA   GLN  16           HA       GLN  16   3.528  -4.667   6.247
  114   1HB   GLN  16          1HB       GLN  16   2.508  -2.546   4.900
  115   2HB   GLN  16          2HB       GLN  16   2.306  -1.981   6.556
  116   1HG   GLN  16          1HG       GLN  16   4.683  -2.418   7.017
  117   2HG   GLN  16          2HG       GLN  16   4.898  -3.028   5.375
  118   2HE2  GLN  16          2HE2      GLN  16   3.114  -0.161   6.597
  119   1HE2  GLN  16          1HE2      GLN  16   3.934   0.951   5.617
  120    H    LYS  17           H        LYS  17   4.216  -3.830   8.331
  121    HA   LYS  17           HA       LYS  17   2.065  -3.814  10.357
  122   1HB   LYS  17          1HB       LYS  17   4.575  -5.445  10.269
  123   2HB   LYS  17          2HB       LYS  17   3.963  -4.901  11.831
  124   1HG   LYS  17          1HG       LYS  17   1.659  -5.801  10.818
  125   2HG   LYS  17          2HG       LYS  17   2.759  -6.821   9.889
  126   1HD   LYS  17          1HD       LYS  17   3.264  -6.567  12.819
  127   2HD   LYS  17          2HD       LYS  17   1.887  -7.546  12.312
  128   1HE   LYS  17          1HE       LYS  17   4.499  -7.951  10.911
  129   2HE   LYS  17          2HE       LYS  17   4.310  -8.617  12.533
  130   1HZ   LYS  17          1HZ       LYS  17   2.449  -9.098  10.269
  131   2HZ   LYS  17          2HZ       LYS  17   3.644 -10.182  10.792
  132   3HZ   LYS  17          3HZ       LYS  17   2.350  -9.787  11.819
  133    H    ARG  18           H        ARG  18   3.485  -1.622   9.032
  134    HA   ARG  18           HA       ARG  18   4.338  -0.223  11.433
  135   1HB   ARG  18          1HB       ARG  18   6.438   0.593  10.330
  136   2HB   ARG  18          2HB       ARG  18   6.466  -1.125  10.728
  137   1HG   ARG  18          1HG       ARG  18   5.907  -1.713   8.431
  138   2HG   ARG  18          2HG       ARG  18   5.726  -0.010   8.008
  139   1HD   ARG  18          1HD       ARG  18   8.000   0.385   8.041
  140   2HD   ARG  18          2HD       ARG  18   8.309  -0.878   9.227
  141    HE   ARG  18           HE       ARG  18   8.343  -1.173   6.374
  142   1HH1  ARG  18          1HH1      ARG  18   7.616  -2.837   9.367
  143   2HH1  ARG  18          2HH1      ARG  18   7.910  -4.405   8.699
  144   1HH2  ARG  18          1HH2      ARG  18   8.718  -3.237   5.544
  145   2HH2  ARG  18          2HH2      ARG  18   8.530  -4.632   6.554
  146    HA   PRO  19           HA       PRO  19   2.276   2.876   8.958
  147   1HB   PRO  19          1HB       PRO  19   2.423   4.936  10.744
  148   2HB   PRO  19          2HB       PRO  19   1.296   3.582  10.897
  149   1HG   PRO  19          1HG       PRO  19   3.710   4.182  12.469
  150   2HG   PRO  19          2HG       PRO  19   2.315   3.177  12.885
  151   1HD   PRO  19          1HD       PRO  19   4.891   2.288  11.989
  152   2HD   PRO  19          2HD       PRO  19   3.452   1.293  12.318
  153    H    LEU  20           H        LEU  20   3.026   4.091   7.316
  154    HA   LEU  20           HA       LEU  20   5.664   5.393   7.620
  155   1HB   LEU  20          1HB       LEU  20   4.469   5.247   4.929
  156   2HB   LEU  20          2HB       LEU  20   6.120   4.987   5.441
  157    HG   LEU  20           HG       LEU  20   3.837   3.008   5.483
  158   1HD1  LEU  20          1HD1      LEU  20   5.488   3.643   3.451
  159   2HD1  LEU  20          2HD1      LEU  20   6.509   2.470   4.284
  160   3HD1  LEU  20          3HD1      LEU  20   4.905   2.000   3.719
  161   1HD2  LEU  20          1HD2      LEU  20   6.460   3.042   6.927
  162   2HD2  LEU  20          2HD2      LEU  20   4.910   2.372   7.436
  163   3HD2  LEU  20          3HD2      LEU  20   5.898   1.511   6.258
  164    HA   PRO  21           HA       PRO  21   3.639   9.313   7.226
  165   1HB   PRO  21          1HB       PRO  21   5.772  10.852   6.477
  166   2HB   PRO  21          2HB       PRO  21   5.545  10.217   8.115
  167   1HG   PRO  21          1HG       PRO  21   7.464   9.382   6.033
  168   2HG   PRO  21          2HG       PRO  21   7.554   9.190   7.789
  169   1HD   PRO  21          1HD       PRO  21   6.828   7.195   5.875
  170   2HD   PRO  21          2HD       PRO  21   6.770   7.054   7.647
  171    H    GLN  22           H        GLN  22   2.627  10.601   5.713
  172    HA   GLN  22           HA       GLN  22   2.705   9.792   2.961
  173   1HB   GLN  22          1HB       GLN  22   0.692  10.715   4.254
  174   2HB   GLN  22          2HB       GLN  22   1.410  12.306   4.004
  175   1HG   GLN  22          1HG       GLN  22   1.244  10.580   1.596
  176   2HG   GLN  22          2HG       GLN  22  -0.297  11.147   2.238
  177   2HE2  GLN  22          2HE2      GLN  22   1.388  11.987  -0.228
  178   1HE2  GLN  22          1HE2      GLN  22   1.475  13.676  -0.089
  179    H    VAL  23           H        VAL  23   4.681  11.859   4.762
  180    HA   VAL  23           HA       VAL  23   5.160  14.052   3.152
  181    HB   VAL  23           HB       VAL  23   6.119  13.734   5.398
  182   1HG1  VAL  23          1HG1      VAL  23   6.793  11.248   4.618
  183   2HG1  VAL  23          2HG1      VAL  23   8.333  12.057   4.332
  184   3HG1  VAL  23          3HG1      VAL  23   7.611  12.081   5.940
  185   1HG2  VAL  23          1HG2      VAL  23   7.182  15.184   3.470
  186   2HG2  VAL  23          2HG2      VAL  23   8.059  14.953   4.984
  187   3HG2  VAL  23          3HG2      VAL  23   8.480  13.994   3.565
  188    H    LEU  24           H        LEU  24   5.986  10.723   2.548
  189    HA   LEU  24           HA       LEU  24   7.429  11.601   0.125
  190   1HB   LEU  24          1HB       LEU  24   9.075   9.988   0.342
  191   2HB   LEU  24          2HB       LEU  24   8.898  10.629   1.954
  192    HG   LEU  24           HG       LEU  24   9.144   8.333   2.290
  193   1HD1  LEU  24          1HD1      LEU  24   7.076   9.287   3.386
  194   2HD1  LEU  24          2HD1      LEU  24   6.136   8.578   2.074
  195   3HD1  LEU  24          3HD1      LEU  24   7.055   7.538   3.161
  196   1HD2  LEU  24          1HD2      LEU  24   8.594   8.017  -0.308
  197   2HD2  LEU  24          2HD2      LEU  24   8.530   6.668   0.826
  198   3HD2  LEU  24          3HD2      LEU  24   7.044   7.489   0.347
  199    H    LEU  25           H        LEU  25   4.675  10.113   1.167
  200    HA   LEU  25           HA       LEU  25   4.598   7.939  -0.738
  201   1HB   LEU  25          1HB       LEU  25   3.286   8.380   1.559
  202   2HB   LEU  25          2HB       LEU  25   2.116   9.047   0.447
  203    HG   LEU  25           HG       LEU  25   1.865   6.920  -0.662
  204   1HD1  LEU  25          1HD1      LEU  25   4.382   6.328   0.790
  205   2HD1  LEU  25          2HD1      LEU  25   3.222   5.002   0.710
  206   3HD1  LEU  25          3HD1      LEU  25   3.820   5.741  -0.774
  207   1HD2  LEU  25          1HD2      LEU  25   1.714   7.071   2.316
  208   2HD2  LEU  25          2HD2      LEU  25   0.418   6.871   1.136
  209   3HD2  LEU  25          3HD2      LEU  25   1.440   5.500   1.566
  210    H    SER  26           H        SER  26   2.600   7.880  -2.244
  211    HA   SER  26           HA       SER  26   2.221  10.530  -3.503
  212   1HB   SER  26          1HB       SER  26   2.911   7.921  -4.853
  213   2HB   SER  26          2HB       SER  26   2.216   9.287  -5.720
  214    HG   SER  26           HG       SER  26   4.726   8.984  -4.531
  215    H    SER  27           H        SER  27   1.072   7.171  -3.918
  216    HA   SER  27           HA       SER  27  -1.653   7.946  -3.273
  217   1HB   SER  27          1HB       SER  27  -1.436   6.680  -5.943
  218   2HB   SER  27          2HB       SER  27  -2.619   7.831  -5.335
  219    HG   SER  27           HG       SER  27  -1.169   9.468  -5.647
  220    H    TRP  28           H        TRP  28  -3.058   5.871  -4.202
  221    HA   TRP  28           HA       TRP  28  -1.645   3.379  -3.583
  222   1HB   TRP  28          1HB       TRP  28  -3.462   2.735  -1.963
  223   2HB   TRP  28          2HB       TRP  28  -2.406   4.022  -1.384
  224    HD1  TRP  28           HD1      TRP  28  -3.378   6.523  -1.409
  225    HE1  TRP  28           HE1      TRP  28  -5.796   7.413  -1.359
  226    HE3  TRP  28           HE3      TRP  28  -5.907   2.266  -2.676
  227    HZ2  TRP  28           HZ2      TRP  28  -8.453   6.440  -1.818
  228    HZ3  TRP  28           HZ3      TRP  28  -8.374   2.279  -2.861
  229    HH2  TRP  28           HH2      TRP  28  -9.651   4.358  -2.428
  230    H    TYR  29           H        TYR  29  -2.498   1.632  -4.632
  231    HA   TYR  29           HA       TYR  29  -4.963   2.138  -6.183
  232   1HB   TYR  29          1HB       TYR  29  -4.132   0.848  -7.985
  233   2HB   TYR  29          2HB       TYR  29  -2.797   1.883  -7.503
  234    HD1  TYR  29           HD1      TYR  29  -0.896   0.914  -6.134
  235    HD2  TYR  29           HD2      TYR  29  -4.004  -1.526  -7.823
  236    HE1  TYR  29           HE1      TYR  29   0.522  -1.095  -5.849
  237    HE2  TYR  29           HE2      TYR  29  -2.582  -3.536  -7.533
  238    HH   TYR  29           HH       TYR  29   0.417  -3.642  -7.284
  239    HA   PRO  30           HA       PRO  30  -6.621  -1.299  -3.946
  240   1HB   PRO  30          1HB       PRO  30  -8.844  -1.770  -5.464
  241   2HB   PRO  30          2HB       PRO  30  -8.682  -0.404  -4.351
  242   1HG   PRO  30          1HG       PRO  30  -8.595  -0.438  -7.308
  243   2HG   PRO  30          2HG       PRO  30  -9.039   0.875  -6.208
  244   1HD   PRO  30          1HD       PRO  30  -6.560   0.570  -7.563
  245   2HD   PRO  30          2HD       PRO  30  -6.929   1.741  -6.276
  246    H    THR  31           H        THR  31  -7.003  -3.561  -4.040
  247    HA   THR  31           HA       THR  31  -5.478  -4.936  -6.084
  248    HB   THR  31           HB       THR  31  -6.503  -6.947  -4.625
  249    HG1  THR  31           HG1      THR  31  -6.588  -6.039  -2.437
  250   1HG2  THR  31          1HG2      THR  31  -4.087  -6.018  -4.907
  251   2HG2  THR  31          2HG2      THR  31  -4.395  -5.203  -3.373
  252   3HG2  THR  31          3HG2      THR  31  -4.462  -6.963  -3.466
  253    H    SER  32           H        SER  32  -6.629  -7.241  -6.595
  254    HA   SER  32           HA       SER  32  -8.953  -6.505  -8.207
  255   1HB   SER  32          1HB       SER  32  -6.835  -8.056  -8.816
  256   2HB   SER  32          2HB       SER  32  -7.934  -9.295  -8.218
  257    HG   SER  32           HG       SER  32  -8.550  -7.332 -10.181
  258    H    GLN  33           H        GLN  33 -10.709  -8.235  -8.369
  259    HA   GLN  33           HA       GLN  33 -11.585  -8.861  -5.630
  260   1HB   GLN  33          1HB       GLN  33 -12.970  -8.306  -8.206
  261   2HB   GLN  33          2HB       GLN  33 -13.759  -9.417  -7.087
  262   1HG   GLN  33          1HG       GLN  33 -14.069  -7.794  -5.472
  263   2HG   GLN  33          2HG       GLN  33 -12.651  -6.873  -5.978
  264   2HE2  GLN  33          2HE2      GLN  33 -16.073  -7.079  -6.258
  265   1HE2  GLN  33          1HE2      GLN  33 -16.265  -5.922  -7.484
  266    H    LEU  34           H        LEU  34  -9.589 -10.476  -7.105
  267    HA   LEU  34           HA       LEU  34 -11.066 -13.038  -7.104
  268   1HB   LEU  34          1HB       LEU  34  -8.621 -12.543  -8.778
  269   2HB   LEU  34          2HB       LEU  34  -9.752 -13.871  -8.880
  270    HG   LEU  34           HG       LEU  34 -10.167 -12.524 -10.778
  271   1HD1  LEU  34          1HD1      LEU  34 -12.142 -12.977  -8.933
  272   2HD1  LEU  34          2HD1      LEU  34 -12.288 -11.236  -9.178
  273   3HD1  LEU  34          3HD1      LEU  34 -12.420 -12.335 -10.552
  274   1HD2  LEU  34          1HD2      LEU  34  -9.005 -10.501  -9.408
  275   2HD2  LEU  34          2HD2      LEU  34  -9.957 -10.244 -10.869
  276   3HD2  LEU  34          3HD2      LEU  34 -10.694 -10.009  -9.285
  277    H    CYS  35           H        CYS  35  -9.709 -11.727  -4.909
  278    HA   CYS  35           HA       CYS  35  -7.539 -13.691  -4.445
  279   1HB   CYS  35          1HB       CYS  35  -7.668 -10.957  -3.163
  280   2HB   CYS  35          2HB       CYS  35  -6.324 -12.093  -3.149
  281    H    SER  36           H        SER  36  -7.249 -14.312  -2.189
  282    HA   SER  36           HA       SER  36  -9.682 -15.025  -0.936
  283   1HB   SER  36          1HB       SER  36  -7.480 -16.218  -0.651
  284   2HB   SER  36          2HB       SER  36  -6.964 -14.889   0.383
  285    HG   SER  36           HG       SER  36  -7.876 -16.581   1.600
  286    H    LYS  37           H        LYS  37  -7.167 -12.741   0.101
  287    HA   LYS  37           HA       LYS  37  -9.251 -11.074   1.345
  288   1HB   LYS  37          1HB       LYS  37  -7.769 -10.716   3.320
  289   2HB   LYS  37          2HB       LYS  37  -8.349 -12.377   3.190
  290   1HG   LYS  37          1HG       LYS  37  -6.107 -12.675   1.783
  291   2HG   LYS  37          2HG       LYS  37  -5.599 -11.289   2.748
  292   1HD   LYS  37          1HD       LYS  37  -6.714 -12.807   4.691
  293   2HD   LYS  37          2HD       LYS  37  -6.167 -14.078   3.596
  294   1HE   LYS  37          1HE       LYS  37  -3.972 -12.493   3.590
  295   2HE   LYS  37          2HE       LYS  37  -4.578 -12.161   5.213
  296   1HZ   LYS  37          1HZ       LYS  37  -4.683 -14.570   5.589
  297   2HZ   LYS  37          2HZ       LYS  37  -3.997 -14.835   4.061
  298   3HZ   LYS  37          3HZ       LYS  37  -3.102 -14.038   5.266
  299    HA   PRO  38           HA       PRO  38  -6.154  -8.632  -1.079
  300   1HB   PRO  38          1HB       PRO  38  -7.922  -7.458  -2.796
  301   2HB   PRO  38          2HB       PRO  38  -7.165  -9.030  -3.088
  302   1HG   PRO  38          1HG       PRO  38  -9.948  -8.404  -2.313
  303   2HG   PRO  38          2HG       PRO  38  -9.305  -9.815  -3.164
  304   1HD   PRO  38          1HD       PRO  38 -10.029  -9.665  -0.412
  305   2HD   PRO  38          2HD       PRO  38  -9.193 -11.010  -1.225
  306    H    GLY  39           H        GLY  39  -5.526  -6.665  -0.399
  307   1HA   GLY  39          1HA       GLY  39  -5.864  -4.970   1.345
  308   2HA   GLY  39          2HA       GLY  39  -7.547  -4.879   0.829
  309    H    VAL  40           H        VAL  40  -4.524  -3.468   0.562
  310    HA   VAL  40           HA       VAL  40  -4.841  -2.456  -2.149
  311    HB   VAL  40           HB       VAL  40  -4.908  -0.504   0.166
  312   1HG1  VAL  40          1HG1      VAL  40  -3.955  -0.044  -2.289
  313   2HG1  VAL  40          2HG1      VAL  40  -5.671   0.182  -2.625
  314   3HG1  VAL  40          3HG1      VAL  40  -4.873   1.165  -1.398
  315   1HG2  VAL  40          1HG2      VAL  40  -7.113  -1.488  -1.657
  316   2HG2  VAL  40          2HG2      VAL  40  -7.036  -1.658   0.097
  317   3HG2  VAL  40          3HG2      VAL  40  -7.247  -0.063  -0.627
  318    H    ILE  41           H        ILE  41  -2.957  -1.760  -3.007
  319    HA   ILE  41           HA       ILE  41  -0.595  -1.872  -1.247
  320    HB   ILE  41           HB       ILE  41  -0.963  -2.448  -4.186
  321   1HG1  ILE  41          1HG1      ILE  41   0.364  -4.519  -3.320
  322   2HG1  ILE  41          2HG1      ILE  41  -0.124  -3.949  -1.724
  323   1HG2  ILE  41          1HG2      ILE  41   1.085  -1.067  -3.953
  324   2HG2  ILE  41          2HG2      ILE  41   1.671  -2.161  -2.698
  325   3HG2  ILE  41          3HG2      ILE  41   1.484  -2.739  -4.354
  326   1HD1  ILE  41          1HD1      ILE  41  -2.174  -4.216  -3.907
  327   2HD1  ILE  41          2HD1      ILE  41  -1.673  -5.637  -2.990
  328   3HD1  ILE  41          3HD1      ILE  41  -2.401  -4.263  -2.158
  329    H    PHE  42           H        PHE  42   0.569  -0.093  -0.925
  330    HA   PHE  42           HA       PHE  42  -0.274   2.391  -2.203
  331   1HB   PHE  42          1HB       PHE  42   1.615   1.759   0.066
  332   2HB   PHE  42          2HB       PHE  42   1.453   3.381  -0.607
  333    HD1  PHE  42           HD1      PHE  42  -0.786   0.566   0.489
  334    HD2  PHE  42           HD2      PHE  42  -0.056   4.799   0.440
  335    HE1  PHE  42           HE1      PHE  42  -2.826   0.935   1.849
  336    HE2  PHE  42           HE2      PHE  42  -2.094   5.163   1.801
  337    HZ   PHE  42           HZ       PHE  42  -3.478   3.236   2.508
  338    H    LEU  43           H        LEU  43   1.469   3.936  -2.878
  339    HA   LEU  43           HA       LEU  43   3.856   2.644  -3.992
  340   1HB   LEU  43          1HB       LEU  43   2.292   4.451  -5.776
  341   2HB   LEU  43          2HB       LEU  43   3.476   3.234  -6.196
  342    HG   LEU  43           HG       LEU  43   0.822   2.416  -5.045
  343   1HD1  LEU  43          1HD1      LEU  43   0.434   4.001  -6.956
  344   2HD1  LEU  43          2HD1      LEU  43   1.387   2.926  -7.979
  345   3HD1  LEU  43          3HD1      LEU  43  -0.128   2.360  -7.277
  346   1HD2  LEU  43          1HD2      LEU  43   3.103   1.199  -6.522
  347   2HD2  LEU  43          2HD2      LEU  43   2.074   0.501  -5.270
  348   3HD2  LEU  43          3HD2      LEU  43   1.495   0.604  -6.934
  349    H    THR  44           H        THR  44   5.245   3.854  -2.759
  350    HA   THR  44           HA       THR  44   4.927   6.609  -2.182
  351    HB   THR  44           HB       THR  44   7.294   6.550  -1.532
  352    HG1  THR  44           HG1      THR  44   7.228   3.979  -2.726
  353   1HG2  THR  44          1HG2      THR  44   5.354   4.461  -0.717
  354   2HG2  THR  44          2HG2      THR  44   7.026   4.192  -0.223
  355   3HG2  THR  44          3HG2      THR  44   6.189   5.666   0.262
  356    H    LYS  45           H        LYS  45   6.683   8.232  -2.887
  357    HA   LYS  45           HA       LYS  45   6.382   8.725  -5.656
  358   1HB   LYS  45          1HB       LYS  45   8.453   9.884  -3.774
  359   2HB   LYS  45          2HB       LYS  45   7.959  10.559  -5.327
  360   1HG   LYS  45          1HG       LYS  45   5.882  11.233  -4.531
  361   2HG   LYS  45          2HG       LYS  45   5.862  10.016  -3.254
  362   1HD   LYS  45          1HD       LYS  45   6.251  12.074  -2.129
  363   2HD   LYS  45          2HD       LYS  45   7.834  11.301  -2.224
  364   1HE   LYS  45          1HE       LYS  45   7.963  12.632  -4.521
  365   2HE   LYS  45          2HE       LYS  45   6.791  13.675  -3.717
  366   1HZ   LYS  45          1HZ       LYS  45   8.333  13.837  -1.832
  367   2HZ   LYS  45          2HZ       LYS  45   9.475  12.922  -2.696
  368   3HZ   LYS  45          3HZ       LYS  45   9.006  14.448  -3.267
  369    H    ARG  46           H        ARG  46   9.307   7.887  -3.803
  370    HA   ARG  46           HA       ARG  46  10.351   6.526  -6.212
  371   1HB   ARG  46          1HB       ARG  46  11.438   8.760  -5.786
  372   2HB   ARG  46          2HB       ARG  46  12.031   8.097  -4.262
  373   1HG   ARG  46          1HG       ARG  46  13.447   6.572  -5.318
  374   2HG   ARG  46          2HG       ARG  46  12.507   6.583  -6.811
  375   1HD   ARG  46          1HD       ARG  46  13.225   8.974  -7.149
  376   2HD   ARG  46          2HD       ARG  46  14.302   8.788  -5.769
  377    HE   ARG  46           HE       ARG  46  14.733   7.775  -8.426
  378   1HH1  ARG  46          1HH1      ARG  46  15.381   7.206  -5.034
  379   2HH1  ARG  46          2HH1      ARG  46  16.826   6.307  -5.344
  380   1HH2  ARG  46          1HH2      ARG  46  16.622   6.598  -8.787
  381   2HH2  ARG  46          2HH2      ARG  46  17.525   5.965  -7.450
  382    H    GLY  47           H        GLY  47   9.338   6.051  -3.099
  383   1HA   GLY  47          1HA       GLY  47   9.833   4.542  -1.429
  384   2HA   GLY  47          2HA       GLY  47  11.454   4.395  -2.101
  385    H    ARG  48           H        ARG  48   8.502   2.878  -1.652
  386    HA   ARG  48           HA       ARG  48   8.701   1.081  -3.942
  387   1HB   ARG  48          1HB       ARG  48   9.623   0.365  -1.212
  388   2HB   ARG  48          2HB       ARG  48   8.624  -0.832  -2.036
  389   1HG   ARG  48          1HG       ARG  48  10.127  -0.836  -3.952
  390   2HG   ARG  48          2HG       ARG  48  11.087   0.461  -3.240
  391   1HD   ARG  48          1HD       ARG  48  12.085  -1.816  -2.908
  392   2HD   ARG  48          2HD       ARG  48  11.765  -0.958  -1.404
  393    HE   ARG  48           HE       ARG  48   9.591  -2.675  -2.226
  394   1HH1  ARG  48          1HH1      ARG  48  12.647  -2.523  -0.526
  395   2HH1  ARG  48          2HH1      ARG  48  12.301  -3.906   0.453
  396   1HH2  ARG  48          1HH2      ARG  48   9.179  -4.474  -0.928
  397   2HH2  ARG  48          2HH2      ARG  48  10.354  -5.002   0.229
  398    H    GLN  49           H        GLN  49   7.099  -0.916  -3.295
  399    HA   GLN  49           HA       GLN  49   4.530   0.395  -2.837
  400   1HB   GLN  49          1HB       GLN  49   5.398  -2.254  -3.949
  401   2HB   GLN  49          2HB       GLN  49   3.746  -2.048  -3.371
  402   1HG   GLN  49          1HG       GLN  49   3.387  -1.303  -5.503
  403   2HG   GLN  49          2HG       GLN  49   4.004   0.212  -4.844
  404   2HE2  GLN  49          2HE2      GLN  49   4.492  -2.071  -7.308
  405   1HE2  GLN  49          1HE2      GLN  49   6.071  -1.624  -7.744
  406    H    VAL  50           H        VAL  50   2.909  -0.741  -1.454
  407    HA   VAL  50           HA       VAL  50   3.980  -2.409   0.685
  408    HB   VAL  50           HB       VAL  50   2.887   0.362   1.234
  409   1HG1  VAL  50          1HG1      VAL  50   2.106  -1.372   2.877
  410   2HG1  VAL  50          2HG1      VAL  50   3.794  -1.756   3.211
  411   3HG1  VAL  50          3HG1      VAL  50   3.159  -0.156   3.597
  412   1HG2  VAL  50          1HG2      VAL  50   5.597  -0.938   1.509
  413   2HG2  VAL  50          2HG2      VAL  50   5.182   0.551   0.661
  414   3HG2  VAL  50          3HG2      VAL  50   5.163   0.505   2.424
  415    H    CYS  51           H        CYS  51   2.518  -3.894   1.122
  416    HA   CYS  51           HA       CYS  51  -0.233  -3.618   0.240
  417   1HB   CYS  51          1HB       CYS  51   1.157  -5.818   1.797
  418   2HB   CYS  51          2HB       CYS  51  -0.491  -5.902   1.177
  419    H    ALA  52           H        ALA  52  -1.638  -2.473   1.450
  420    HA   ALA  52           HA       ALA  52  -1.562  -2.872   4.373
  421   1HB   ALA  52          1HB       ALA  52  -0.548  -0.606   3.351
  422   2HB   ALA  52          2HB       ALA  52  -2.250  -0.149   3.416
  423   3HB   ALA  52          3HB       ALA  52  -1.416  -0.655   4.886
  424    H    ASP  53           H        ASP  53  -3.505  -2.996   5.347
  425    HA   ASP  53           HA       ASP  53  -5.863  -3.033   3.605
  426   1HB   ASP  53          1HB       ASP  53  -5.158  -4.223   6.247
  427   2HB   ASP  53          2HB       ASP  53  -6.855  -3.840   5.952
  428    H    LYS  54           H        LYS  54  -7.396  -1.501   3.667
  429    HA   LYS  54           HA       LYS  54  -7.007   0.978   4.880
  430   1HB   LYS  54          1HB       LYS  54  -9.417   1.394   4.404
  431   2HB   LYS  54          2HB       LYS  54  -8.552   0.715   3.024
  432   1HG   LYS  54          1HG       LYS  54  -9.351  -1.579   4.164
  433   2HG   LYS  54          2HG       LYS  54 -10.640  -0.528   4.750
  434   1HD   LYS  54          1HD       LYS  54 -11.564  -1.118   2.724
  435   2HD   LYS  54          2HD       LYS  54 -10.616   0.273   2.194
  436   1HE   LYS  54          1HE       LYS  54  -9.016  -1.031   1.161
  437   2HE   LYS  54          2HE       LYS  54  -9.256  -2.385   2.266
  438   1HZ   LYS  54          1HZ       LYS  54 -11.359  -1.571   0.360
  439   2HZ   LYS  54          2HZ       LYS  54 -10.108  -2.622  -0.107
  440   3HZ   LYS  54          3HZ       LYS  54 -11.163  -3.059   1.150
  441    H    SER  55           H        SER  55  -8.320  -1.948   6.221
  442    HA   SER  55           HA       SER  55  -9.898  -0.948   8.302
  443   1HB   SER  55          1HB       SER  55  -8.466  -3.467   7.754
  444   2HB   SER  55          2HB       SER  55  -8.795  -3.146   9.454
  445    HG   SER  55           HG       SER  55 -10.633  -3.230   7.292
  446    H    LYS  56           H        LYS  56  -6.431  -1.063   7.920
  447    HA   LYS  56           HA       LYS  56  -5.623  -0.791  10.600
  448   1HB   LYS  56          1HB       LYS  56  -4.331   0.313   8.093
  449   2HB   LYS  56          2HB       LYS  56  -3.550   0.195   9.669
  450   1HG   LYS  56          1HG       LYS  56  -4.408  -2.346   9.430
  451   2HG   LYS  56          2HG       LYS  56  -4.216  -1.952   7.721
  452   1HD   LYS  56          1HD       LYS  56  -1.928  -1.649   7.904
  453   2HD   LYS  56          2HD       LYS  56  -2.021  -1.185   9.603
  454   1HE   LYS  56          1HE       LYS  56  -1.005  -3.446   9.271
  455   2HE   LYS  56          2HE       LYS  56  -2.468  -3.489  10.255
  456   1HZ   LYS  56          1HZ       LYS  56  -2.454  -3.963   7.328
  457   2HZ   LYS  56          2HZ       LYS  56  -2.344  -5.210   8.473
  458   3HZ   LYS  56          3HZ       LYS  56  -3.733  -4.232   8.414
  459    H    ASP  57           H        ASP  57  -4.261   1.431  11.049
  460    HA   ASP  57           HA       ASP  57  -6.355   3.497  11.130
  461   1HB   ASP  57          1HB       ASP  57  -3.922   2.942  12.809
  462   2HB   ASP  57          2HB       ASP  57  -4.690   4.530  12.826
  463    H    TRP  58           H        TRP  58  -2.802   3.354  10.770
  464    HA   TRP  58           HA       TRP  58  -2.566   5.962   9.727
  465   1HB   TRP  58          1HB       TRP  58  -0.313   5.278   8.967
  466   2HB   TRP  58          2HB       TRP  58  -0.621   4.856  10.646
  467    HD1  TRP  58           HD1      TRP  58  -1.100   2.251  11.188
  468    HE1  TRP  58           HE1      TRP  58  -0.300   0.125   9.974
  469    HE3  TRP  58           HE3      TRP  58   0.224   4.251   6.684
  470    HZ2  TRP  58           HZ2      TRP  58   0.768  -0.637   7.413
  471    HZ3  TRP  58           HZ3      TRP  58   1.134   2.809   4.887
  472    HH2  TRP  58           HH2      TRP  58   1.406   0.382   5.246
  473    H    VAL  59           H        VAL  59  -3.310   2.910   8.208
  474    HA   VAL  59           HA       VAL  59  -2.821   3.799   5.522
  475    HB   VAL  59           HB       VAL  59  -4.589   1.532   6.471
  476   1HG1  VAL  59          1HG1      VAL  59  -4.598   2.513   4.002
  477   2HG1  VAL  59          2HG1      VAL  59  -3.093   1.605   3.875
  478   3HG1  VAL  59          3HG1      VAL  59  -4.593   0.770   4.274
  479   1HG2  VAL  59          1HG2      VAL  59  -2.150   1.543   7.255
  480   2HG2  VAL  59          2HG2      VAL  59  -2.662   0.128   6.335
  481   3HG2  VAL  59          3HG2      VAL  59  -1.711   1.390   5.553
  482    H    LYS  60           H        LYS  60  -5.529   3.857   7.742
  483    HA   LYS  60           HA       LYS  60  -7.566   4.478   5.868
  484   1HB   LYS  60          1HB       LYS  60  -7.809   3.759   8.337
  485   2HB   LYS  60          2HB       LYS  60  -7.550   5.463   8.715
  486   1HG   LYS  60          1HG       LYS  60  -9.526   6.136   7.678
  487   2HG   LYS  60          2HG       LYS  60  -9.579   4.715   6.633
  488   1HD   LYS  60          1HD       LYS  60 -10.084   3.297   8.597
  489   2HD   LYS  60          2HD       LYS  60 -10.060   4.728   9.628
  490   1HE   LYS  60          1HE       LYS  60 -11.835   4.720   7.213
  491   2HE   LYS  60          2HE       LYS  60 -12.346   3.831   8.647
  492   1HZ   LYS  60          1HZ       LYS  60 -11.385   6.609   8.868
  493   2HZ   LYS  60          2HZ       LYS  60 -12.993   6.289   8.426
  494   3HZ   LYS  60          3HZ       LYS  60 -12.395   5.744   9.920
  495    H    LYS  61           H        LYS  61  -5.462   6.500   7.890
  496    HA   LYS  61           HA       LYS  61  -6.537   9.000   7.152
  497   1HB   LYS  61          1HB       LYS  61  -4.756   8.344   8.987
  498   2HB   LYS  61          2HB       LYS  61  -3.608   8.714   7.701
  499   1HG   LYS  61          1HG       LYS  61  -4.344  10.955   7.528
  500   2HG   LYS  61          2HG       LYS  61  -5.841  10.619   8.398
  501   1HD   LYS  61          1HD       LYS  61  -4.610  11.613  10.090
  502   2HD   LYS  61          2HD       LYS  61  -4.160   9.924  10.334
  503   1HE   LYS  61          1HE       LYS  61  -2.552  11.585   8.425
  504   2HE   LYS  61          2HE       LYS  61  -2.290  11.786  10.159
  505   1HZ   LYS  61          1HZ       LYS  61  -2.196   9.218  10.137
  506   2HZ   LYS  61          2HZ       LYS  61  -1.865   9.407   8.482
  507   3HZ   LYS  61          3HZ       LYS  61  -0.835  10.104   9.635
  508    H    LEU  62           H        LEU  62  -3.912   7.065   5.754
  509    HA   LEU  62           HA       LEU  62  -3.083   8.926   3.799
  510   1HB   LEU  62          1HB       LEU  62  -3.050   5.915   3.699
  511   2HB   LEU  62          2HB       LEU  62  -2.207   6.966   2.585
  512    HG   LEU  62           HG       LEU  62  -1.625   7.254   5.499
  513   1HD1  LEU  62          1HD1      LEU  62  -1.104   4.852   3.826
  514   2HD1  LEU  62          2HD1      LEU  62   0.257   5.449   4.775
  515   3HD1  LEU  62          3HD1      LEU  62  -1.245   4.995   5.577
  516   1HD2  LEU  62          1HD2      LEU  62  -0.329   7.748   2.855
  517   2HD2  LEU  62          2HD2      LEU  62  -0.339   8.753   4.305
  518   3HD2  LEU  62          3HD2      LEU  62   0.728   7.351   4.210
  519    H    MET  63           H        MET  63  -5.486   6.344   3.749
  520    HA   MET  63           HA       MET  63  -6.251   6.394   1.077
  521   1HB   MET  63          1HB       MET  63  -7.768   5.814   3.605
  522   2HB   MET  63          2HB       MET  63  -8.584   5.792   2.042
  523   1HG   MET  63          1HG       MET  63  -6.395   4.322   1.431
  524   2HG   MET  63          2HG       MET  63  -6.542   3.931   3.142
  525   1HE   MET  63          1HE       MET  63  -7.089   3.243  -0.090
  526   2HE   MET  63          2HE       MET  63  -7.237   1.592   0.504
  527   3HE   MET  63          3HE       MET  63  -8.582   2.334  -0.359
  528    H    GLN  64           H        GLN  64  -7.165   8.543   3.708
  529    HA   GLN  64           HA       GLN  64  -9.040  10.015   2.024
  530   1HB   GLN  64          1HB       GLN  64  -9.155   9.568   4.631
  531   2HB   GLN  64          2HB       GLN  64  -8.149  11.016   4.696
  532   1HG   GLN  64          1HG       GLN  64  -9.802  12.371   3.754
  533   2HG   GLN  64          2HG       GLN  64 -10.627  11.007   2.997
  534   2HE2  GLN  64          2HE2      GLN  64  -9.574  11.464   6.412
  535   1HE2  GLN  64          1HE2      GLN  64 -11.123  11.255   7.071
  536    H    GLN  65           H        GLN  65  -5.762  10.276   3.221
  537    HA   GLN  65           HA       GLN  65  -5.410  13.044   2.570
  538   1HB   GLN  65          1HB       GLN  65  -3.609  10.790   3.358
  539   2HB   GLN  65          2HB       GLN  65  -2.901  12.247   2.665
  540   1HG   GLN  65          1HG       GLN  65  -4.618  13.364   4.445
  541   2HG   GLN  65          2HG       GLN  65  -4.243  11.857   5.283
  542   2HE2  GLN  65          2HE2      GLN  65  -2.052  11.531   6.030
  543   1HE2  GLN  65          1HE2      GLN  65  -0.902  12.780   6.014
  544    H    LEU  66           H        LEU  66  -4.855   9.989   0.905
  545    HA   LEU  66           HA       LEU  66  -3.862  11.463  -1.451
  546   1HB   LEU  66          1HB       LEU  66  -3.655   8.579  -0.648
  547   2HB   LEU  66          2HB       LEU  66  -3.269   9.143  -2.259
  548    HG   LEU  66           HG       LEU  66  -1.219   8.962  -1.075
  549   1HD1  LEU  66          1HD1      LEU  66  -1.939  11.258  -2.280
  550   2HD1  LEU  66          2HD1      LEU  66  -1.601  11.876  -0.664
  551   3HD1  LEU  66          3HD1      LEU  66  -0.346  11.022  -1.561
  552   1HD2  LEU  66          1HD2      LEU  66  -2.577   9.170   1.192
  553   2HD2  LEU  66          2HD2      LEU  66  -0.864   9.581   1.133
  554   3HD2  LEU  66          3HD2      LEU  66  -2.080  10.857   1.074
  555    HA   PRO  67           HA       PRO  67  -7.656  10.527  -3.502
  556   1HB   PRO  67          1HB       PRO  67  -6.851  10.665  -6.116
  557   2HB   PRO  67          2HB       PRO  67  -7.081  12.078  -5.077
  558   1HG   PRO  67          1HG       PRO  67  -4.568  10.833  -6.018
  559   2HG   PRO  67          2HG       PRO  67  -4.883  12.501  -5.522
  560   1HD   PRO  67          1HD       PRO  67  -3.613  10.492  -3.968
  561   2HD   PRO  67          2HD       PRO  67  -4.162  12.084  -3.396
  562    H    VAL  68           H        VAL  68  -5.422   9.057  -5.836
  563    HA   VAL  68           HA       VAL  68  -5.484   6.399  -5.145
  564    HB   VAL  68           HB       VAL  68  -8.089   7.291  -6.216
  565   1HG1  VAL  68          1HG1      VAL  68  -7.206   6.250  -8.295
  566   2HG1  VAL  68          2HG1      VAL  68  -6.879   4.771  -7.394
  567   3HG1  VAL  68          3HG1      VAL  68  -8.539   5.327  -7.602
  568   1HG2  VAL  68          1HG2      VAL  68  -6.960   5.324  -4.379
  569   2HG2  VAL  68          2HG2      VAL  68  -8.556   6.068  -4.383
  570   3HG2  VAL  68          3HG2      VAL  68  -8.252   4.636  -5.362
  571    H    THR  69           H        THR  69  -4.925   4.968  -7.014
  572    HA   THR  69           HA       THR  69  -4.015   6.406  -9.400
  573    HB   THR  69           HB       THR  69  -2.074   6.508  -7.938
  574    HG1  THR  69           HG1      THR  69  -0.982   6.025  -9.641
  575   1HG2  THR  69          1HG2      THR  69  -3.031   4.247  -6.785
  576   2HG2  THR  69          2HG2      THR  69  -1.761   3.565  -7.801
  577   3HG2  THR  69          3HG2      THR  69  -1.366   4.797  -6.603
  578    H    ALA  70           H        ALA  70  -5.079   5.308 -10.922
  579    HA   ALA  70           HA       ALA  70  -4.440   2.535 -11.384
  580   1HB   ALA  70          1HB       ALA  70  -6.790   1.742 -11.362
  581   2HB   ALA  70          2HB       ALA  70  -7.287   3.292 -10.683
  582   3HB   ALA  70          3HB       ALA  70  -6.233   2.220  -9.759
  583    H    ARG  71           H        ARG  71  -4.200   2.376 -13.504
  584    HA   ARG  71           HA       ARG  71  -6.142   3.584 -15.314
  585   1HB   ARG  71          1HB       ARG  71  -4.072   5.175 -14.760
  586   2HB   ARG  71          2HB       ARG  71  -3.295   4.165 -15.979
  587   1HG   ARG  71          1HG       ARG  71  -5.071   4.664 -17.580
  588   2HG   ARG  71          2HG       ARG  71  -5.938   5.598 -16.361
  589   1HD   ARG  71          1HD       ARG  71  -3.777   7.001 -16.179
  590   2HD   ARG  71          2HD       ARG  71  -3.314   6.243 -17.699
  591    HE   ARG  71           HE       ARG  71  -5.942   7.335 -17.885
  592   1HH1  ARG  71          1HH1      ARG  71  -2.564   8.250 -17.813
  593   2HH1  ARG  71          2HH1      ARG  71  -2.820   9.698 -18.726
  594   1HH2  ARG  71          1HH2      ARG  71  -6.232   9.231 -19.071
  595   2HH2  ARG  71          2HH2      ARG  71  -4.878  10.250 -19.432

  No H/Q in entry =         595
  Start of MODEL    2
    1    H1   LEU   1           H1       LEU   1  -6.629  -4.132 -13.127
    2    H2   LEU   1           H2       LEU   1  -7.942  -3.226 -12.545
    3    H3   LEU   1           H3       LEU   1  -8.125  -4.885 -12.860
    4    HA   LEU   1           HA       LEU   1  -9.144  -3.711 -14.644
    5   1HB   LEU   1          1HB       LEU   1  -7.519  -1.680 -14.078
    6   2HB   LEU   1          2HB       LEU   1  -6.554  -2.398 -15.367
    7    HG   LEU   1           HG       LEU   1  -9.498  -1.752 -15.656
    8   1HD1  LEU   1          1HD1      LEU   1  -7.034  -0.101 -16.079
    9   2HD1  LEU   1          2HD1      LEU   1  -8.374   0.080 -17.212
   10   3HD1  LEU   1          3HD1      LEU   1  -8.623   0.391 -15.494
   11   1HD2  LEU   1          1HD2      LEU   1  -7.311  -2.781 -17.436
   12   2HD2  LEU   1          2HD2      LEU   1  -8.992  -3.302 -17.320
   13   3HD2  LEU   1          3HD2      LEU   1  -8.591  -1.794 -18.141
   14    H    GLY   2           H        GLY   2  -5.622  -4.152 -15.043
   15   1HA   GLY   2          1HA       GLY   2  -5.892  -6.712 -16.304
   16   2HA   GLY   2          2HA       GLY   2  -4.418  -5.755 -16.196
   17    H    ALA   3           H        ALA   3  -6.632  -7.026 -18.288
   18    HA   ALA   3           HA       ALA   3  -6.942  -4.957 -20.214
   19   1HB   ALA   3          1HB       ALA   3  -5.352  -5.860 -21.918
   20   2HB   ALA   3          2HB       ALA   3  -4.664  -6.898 -20.669
   21   3HB   ALA   3          3HB       ALA   3  -4.545  -5.144 -20.522
   22    H    SER   4           H        SER   4  -6.029  -8.392 -20.486
   23    HA   SER   4           HA       SER   4  -8.781  -9.035 -21.296
   24   1HB   SER   4          1HB       SER   4  -7.761 -10.483 -23.146
   25   2HB   SER   4          2HB       SER   4  -7.803  -8.746 -23.430
   26    HG   SER   4           HG       SER   4  -5.679  -8.639 -23.168
   27    H    TRP   5           H        TRP   5  -5.661 -10.727 -21.327
   28    HA   TRP   5           HA       TRP   5  -6.150 -12.258 -18.983
   29   1HB   TRP   5          1HB       TRP   5  -6.475 -14.472 -20.107
   30   2HB   TRP   5          2HB       TRP   5  -7.853 -13.385 -20.278
   31    HD1  TRP   5           HD1      TRP   5  -8.324 -12.341 -22.663
   32    HE1  TRP   5           HE1      TRP   5  -7.524 -12.987 -25.027
   33    HE3  TRP   5           HE3      TRP   5  -4.457 -15.453 -21.465
   34    HZ2  TRP   5           HZ2      TRP   5  -5.509 -14.609 -26.248
   35    HZ3  TRP   5           HZ3      TRP   5  -3.115 -16.534 -23.246
   36    HH2  TRP   5           HH2      TRP   5  -3.636 -16.116 -25.634
   37    H    HIS   6           H        HIS   6  -4.192 -12.740 -18.269
   38    HA   HIS   6           HA       HIS   6  -2.167 -13.809 -20.066
   39   1HB   HIS   6          1HB       HIS   6  -2.011 -11.079 -18.868
   40   2HB   HIS   6          2HB       HIS   6  -0.536 -12.044 -18.943
   41    HD1  HIS   6           HD1      HIS   6  -1.615  -9.463 -20.775
   42    HD2  HIS   6           HD2      HIS   6  -1.036 -13.430 -21.917
   43    HE1  HIS   6           HE1      HIS   6  -1.312  -9.447 -23.290
   44    H    ARG   7           H        ARG   7  -2.100 -12.218 -16.893
   45    HA   ARG   7           HA       ARG   7  -1.665 -14.799 -15.577
   46   1HB   ARG   7          1HB       ARG   7   0.594 -13.885 -16.242
   47   2HB   ARG   7          2HB       ARG   7   0.274 -12.513 -15.180
   48   1HG   ARG   7          1HG       ARG   7  -0.139 -14.182 -13.316
   49   2HG   ARG   7          2HG       ARG   7   0.475 -15.432 -14.400
   50   1HD   ARG   7          1HD       ARG   7   2.122 -12.967 -14.038
   51   2HD   ARG   7          2HD       ARG   7   2.088 -14.131 -12.719
   52    HE   ARG   7           HE       ARG   7   2.573 -15.583 -15.050
   53   1HH1  ARG   7          1HH1      ARG   7   4.125 -13.039 -13.213
   54   2HH1  ARG   7          2HH1      ARG   7   5.718 -13.505 -13.698
   55   1HH2  ARG   7          1HH2      ARG   7   4.668 -16.157 -15.657
   56   2HH2  ARG   7          2HH2      ARG   7   6.026 -15.255 -15.069
   57    HA   PRO   8           HA       PRO   8  -4.160 -11.915 -13.013
   58   1HB   PRO   8          1HB       PRO   8  -6.162 -13.685 -12.445
   59   2HB   PRO   8          2HB       PRO   8  -6.129 -12.673 -13.896
   60   1HG   PRO   8          1HG       PRO   8  -5.647 -15.576 -13.623
   61   2HG   PRO   8          2HG       PRO   8  -6.192 -14.652 -15.030
   62   1HD   PRO   8          1HD       PRO   8  -3.559 -15.632 -14.550
   63   2HD   PRO   8          2HD       PRO   8  -4.068 -14.530 -15.852
   64    H    ASP   9           H        ASP   9  -2.748 -11.852 -11.265
   65    HA   ASP   9           HA       ASP   9  -3.405 -13.340  -8.956
   66   1HB   ASP   9          1HB       ASP   9  -2.202 -15.138 -10.234
   67   2HB   ASP   9          2HB       ASP   9  -0.751 -14.136 -10.175
   68    H    LYS  10           H        LYS  10  -3.187 -10.680  -9.393
   69    HA   LYS  10           HA       LYS  10  -0.586  -9.839  -8.297
   70   1HB   LYS  10          1HB       LYS  10  -1.939  -8.718 -10.309
   71   2HB   LYS  10          2HB       LYS  10  -2.703  -7.857  -8.973
   72   1HG   LYS  10          1HG       LYS  10  -0.535  -7.104  -8.158
   73   2HG   LYS  10          2HG       LYS  10   0.294  -8.062  -9.386
   74   1HD   LYS  10          1HD       LYS  10  -1.052  -6.713 -11.112
   75   2HD   LYS  10          2HD       LYS  10  -1.438  -5.618  -9.783
   76   1HE   LYS  10          1HE       LYS  10   0.823  -5.011  -9.470
   77   2HE   LYS  10          2HE       LYS  10   1.413  -6.405 -10.374
   78   1HZ   LYS  10          1HZ       LYS  10   0.299  -5.423 -12.359
   79   2HZ   LYS  10          2HZ       LYS  10   0.021  -4.017 -11.446
   80   3HZ   LYS  10          3HZ       LYS  10   1.610  -4.518 -11.768
   81    H    CYS  11           H        CYS  11  -2.565 -11.268  -6.689
   82    HA   CYS  11           HA       CYS  11  -3.781  -9.299  -4.938
   83   1HB   CYS  11          1HB       CYS  11  -3.483 -12.277  -4.472
   84   2HB   CYS  11          2HB       CYS  11  -4.613 -11.179  -3.681
   85    H    CYS  12           H        CYS  12  -3.392 -10.221  -2.434
   86    HA   CYS  12           HA       CYS  12  -0.484 -10.307  -1.982
   87   1HB   CYS  12          1HB       CYS  12  -1.615  -7.915  -1.826
   88   2HB   CYS  12          2HB       CYS  12  -2.115  -8.506  -0.242
   89    H    LEU  13           H        LEU  13   0.137 -11.293  -0.070
   90    HA   LEU  13           HA       LEU  13  -2.004 -12.808   1.284
   91   1HB   LEU  13          1HB       LEU  13   0.158 -13.825   0.129
   92   2HB   LEU  13          2HB       LEU  13   0.885 -13.422   1.670
   93    HG   LEU  13           HG       LEU  13  -1.551 -15.189   1.328
   94   1HD1  LEU  13          1HD1      LEU  13   0.598 -16.119   0.388
   95   2HD1  LEU  13          2HD1      LEU  13   1.303 -15.965   1.998
   96   3HD1  LEU  13          3HD1      LEU  13  -0.061 -17.052   1.732
   97   1HD2  LEU  13          1HD2      LEU  13   0.008 -14.124   3.645
   98   2HD2  LEU  13          2HD2      LEU  13  -1.717 -14.469   3.516
   99   3HD2  LEU  13          3HD2      LEU  13  -0.568 -15.787   3.748
  100    H    GLY  14           H        GLY  14   0.750 -10.691   1.805
  101   1HA   GLY  14          1HA       GLY  14   1.647 -10.290   4.073
  102   2HA   GLY  14          2HA       GLY  14   0.000 -10.485   4.665
  103    H    TYR  15           H        TYR  15   1.140  -8.248   5.460
  104    HA   TYR  15           HA       TYR  15   0.486  -6.110   3.552
  105   1HB   TYR  15          1HB       TYR  15  -0.748  -6.418   6.296
  106   2HB   TYR  15          2HB       TYR  15  -0.772  -4.912   5.379
  107    HD1  TYR  15           HD1      TYR  15  -1.817  -8.485   5.309
  108    HD2  TYR  15           HD2      TYR  15  -2.279  -4.590   3.568
  109    HE1  TYR  15           HE1      TYR  15  -3.770  -9.295   4.013
  110    HE2  TYR  15           HE2      TYR  15  -4.230  -5.394   2.272
  111    HH   TYR  15           HH       TYR  15  -4.969  -7.858   1.409
  112    H    GLN  16           H        GLN  16   0.880  -3.909   4.868
  113    HA   GLN  16           HA       GLN  16   3.654  -3.749   5.297
  114   1HB   GLN  16          1HB       GLN  16   2.196  -1.815   4.670
  115   2HB   GLN  16          2HB       GLN  16   1.551  -1.821   6.309
  116   1HG   GLN  16          1HG       GLN  16   3.346  -0.165   6.130
  117   2HG   GLN  16          2HG       GLN  16   3.850  -1.479   7.193
  118   2HE2  GLN  16          2HE2      GLN  16   5.428  -3.040   6.336
  119   1HE2  GLN  16          1HE2      GLN  16   6.384  -2.651   4.990
  120    H    LYS  17           H        LYS  17   0.954  -3.892   7.579
  121    HA   LYS  17           HA       LYS  17   0.866  -4.388   9.823
  122   1HB   LYS  17          1HB       LYS  17   3.336  -5.807   8.926
  123   2HB   LYS  17          2HB       LYS  17   3.038  -5.657  10.658
  124   1HG   LYS  17          1HG       LYS  17   0.929  -6.659   8.737
  125   2HG   LYS  17          2HG       LYS  17   2.072  -7.742   9.533
  126   1HD   LYS  17          1HD       LYS  17   1.127  -7.442  11.608
  127   2HD   LYS  17          2HD       LYS  17   0.635  -5.784  11.260
  128   1HE   LYS  17          1HE       LYS  17  -1.412  -6.933  11.277
  129   2HE   LYS  17          2HE       LYS  17  -1.011  -6.882   9.560
  130   1HZ   LYS  17          1HZ       LYS  17   0.159  -9.106  10.064
  131   2HZ   LYS  17          2HZ       LYS  17  -0.833  -9.142  11.439
  132   3HZ   LYS  17          3HZ       LYS  17  -1.531  -9.086   9.891
  133    H    ARG  18           H        ARG  18   2.362  -1.922   8.700
  134    HA   ARG  18           HA       ARG  18   3.161  -0.890  11.269
  135   1HB   ARG  18          1HB       ARG  18   5.190  -1.431   9.108
  136   2HB   ARG  18          2HB       ARG  18   5.422  -0.127  10.272
  137   1HG   ARG  18          1HG       ARG  18   4.955  -1.907  12.080
  138   2HG   ARG  18          2HG       ARG  18   5.220  -3.091  10.799
  139   1HD   ARG  18          1HD       ARG  18   7.390  -2.910  11.507
  140   2HD   ARG  18          2HD       ARG  18   7.381  -1.547  10.393
  141    HE   ARG  18           HE       ARG  18   7.675  -0.168  12.220
  142   1HH1  ARG  18          1HH1      ARG  18   6.228  -3.170  13.291
  143   2HH1  ARG  18          2HH1      ARG  18   6.278  -2.729  14.963
  144   1HH2  ARG  18          1HH2      ARG  18   7.722   0.367  14.411
  145   2HH2  ARG  18          2HH2      ARG  18   7.116  -0.745  15.594
  146    HA   PRO  19           HA       PRO  19   1.688   2.630   8.985
  147   1HB   PRO  19          1HB       PRO  19   2.113   4.555  10.874
  148   2HB   PRO  19          2HB       PRO  19   0.795   3.375  10.945
  149   1HG   PRO  19          1HG       PRO  19   3.259   3.522  12.559
  150   2HG   PRO  19          2HG       PRO  19   1.719   2.731  12.922
  151   1HD   PRO  19          1HD       PRO  19   4.127   1.484  12.007
  152   2HD   PRO  19          2HD       PRO  19   2.539   0.718  12.247
  153    H    LEU  20           H        LEU  20   2.629   3.737   7.393
  154    HA   LEU  20           HA       LEU  20   5.423   4.632   7.730
  155   1HB   LEU  20          1HB       LEU  20   4.171   4.767   5.056
  156   2HB   LEU  20          2HB       LEU  20   5.784   4.277   5.517
  157    HG   LEU  20           HG       LEU  20   3.267   2.603   5.565
  158   1HD1  LEU  20          1HD1      LEU  20   4.911   3.102   3.492
  159   2HD1  LEU  20          2HD1      LEU  20   5.810   1.786   4.247
  160   3HD1  LEU  20          3HD1      LEU  20   4.144   1.532   3.731
  161   1HD2  LEU  20          1HD2      LEU  20   5.949   2.216   6.863
  162   2HD2  LEU  20          2HD2      LEU  20   4.345   1.815   7.479
  163   3HD2  LEU  20          3HD2      LEU  20   5.087   0.813   6.231
  164    HA   PRO  21           HA       PRO  21   4.032   8.828   7.522
  165   1HB   PRO  21          1HB       PRO  21   6.326  10.056   6.682
  166   2HB   PRO  21          2HB       PRO  21   6.100   9.405   8.315
  167   1HG   PRO  21          1HG       PRO  21   7.743   8.359   6.093
  168   2HG   PRO  21          2HG       PRO  21   7.910   8.104   7.836
  169   1HD   PRO  21          1HD       PRO  21   6.782   6.293   5.939
  170   2HD   PRO  21          2HD       PRO  21   6.797   6.118   7.709
  171    H    GLN  22           H        GLN  22   2.969  10.123   6.101
  172    HA   GLN  22           HA       GLN  22   2.929   9.476   3.309
  173   1HB   GLN  22          1HB       GLN  22   0.957  10.342   4.596
  174   2HB   GLN  22          2HB       GLN  22   1.753  11.914   4.656
  175   1HG   GLN  22          1HG       GLN  22   1.614  10.685   1.965
  176   2HG   GLN  22          2HG       GLN  22   0.060  11.144   2.658
  177   2HE2  GLN  22          2HE2      GLN  22   0.041  12.859   0.912
  178   1HE2  GLN  22          1HE2      GLN  22   0.896  14.301   1.178
  179    H    VAL  23           H        VAL  23   5.044  11.362   5.155
  180    HA   VAL  23           HA       VAL  23   5.569  13.618   3.652
  181    HB   VAL  23           HB       VAL  23   6.583  13.134   5.843
  182   1HG1  VAL  23          1HG1      VAL  23   7.114  10.667   4.911
  183   2HG1  VAL  23          2HG1      VAL  23   8.681  11.419   4.612
  184   3HG1  VAL  23          3HG1      VAL  23   8.014  11.388   6.245
  185   1HG2  VAL  23          1HG2      VAL  23   7.660  14.625   3.940
  186   2HG2  VAL  23          2HG2      VAL  23   8.546  14.304   5.430
  187   3HG2  VAL  23          3HG2      VAL  23   8.912  13.382   3.972
  188    H    LEU  24           H        LEU  24   6.236  10.295   2.841
  189    HA   LEU  24           HA       LEU  24   7.636  11.251   0.420
  190   1HB   LEU  24          1HB       LEU  24   9.223   9.569   0.495
  191   2HB   LEU  24          2HB       LEU  24   9.119  10.119   2.146
  192    HG   LEU  24           HG       LEU  24   9.284   7.797   2.335
  193   1HD1  LEU  24          1HD1      LEU  24   7.293   8.769   3.555
  194   2HD1  LEU  24          2HD1      LEU  24   6.284   8.168   2.239
  195   3HD1  LEU  24          3HD1      LEU  24   7.197   7.038   3.237
  196   1HD2  LEU  24          1HD2      LEU  24   8.616   7.671  -0.262
  197   2HD2  LEU  24          2HD2      LEU  24   8.578   6.256   0.789
  198   3HD2  LEU  24          3HD2      LEU  24   7.088   7.132   0.437
  199    H    LEU  25           H        LEU  25   4.857   9.809   1.471
  200    HA   LEU  25           HA       LEU  25   4.630   7.708  -0.475
  201   1HB   LEU  25          1HB       LEU  25   3.303   8.245   1.792
  202   2HB   LEU  25          2HB       LEU  25   2.209   8.994   0.655
  203    HG   LEU  25           HG       LEU  25   1.830   6.889  -0.461
  204   1HD1  LEU  25          1HD1      LEU  25   4.306   6.147   0.961
  205   2HD1  LEU  25          2HD1      LEU  25   3.056   4.903   0.997
  206   3HD1  LEU  25          3HD1      LEU  25   3.641   5.519  -0.547
  207   1HD2  LEU  25          1HD2      LEU  25   1.620   7.055   2.510
  208   2HD2  LEU  25          2HD2      LEU  25   0.344   6.919   1.300
  209   3HD2  LEU  25          3HD2      LEU  25   1.276   5.495   1.762
  210    H    SER  26           H        SER  26   2.668   7.798  -2.023
  211    HA   SER  26           HA       SER  26   2.486  10.470  -3.270
  212   1HB   SER  26          1HB       SER  26   4.073   8.560  -4.345
  213   2HB   SER  26          2HB       SER  26   2.544   8.158  -5.120
  214    HG   SER  26           HG       SER  26   4.068   9.889  -6.026
  215    H    SER  27           H        SER  27   1.249   7.191  -3.966
  216    HA   SER  27           HA       SER  27  -1.489   8.101  -3.468
  217   1HB   SER  27          1HB       SER  27  -1.123   6.708  -6.056
  218   2HB   SER  27          2HB       SER  27  -2.279   7.953  -5.601
  219    HG   SER  27           HG       SER  27  -0.696   9.487  -5.839
  220    H    TRP  28           H        TRP  28  -2.868   6.010  -4.542
  221    HA   TRP  28           HA       TRP  28  -1.669   3.480  -3.772
  222   1HB   TRP  28          1HB       TRP  28  -3.462   2.987  -2.093
  223   2HB   TRP  28          2HB       TRP  28  -2.349   4.251  -1.574
  224    HD1  TRP  28           HD1      TRP  28  -3.241   6.740  -1.483
  225    HE1  TRP  28           HE1      TRP  28  -5.619   7.737  -1.489
  226    HE3  TRP  28           HE3      TRP  28  -5.907   2.650  -2.992
  227    HZ2  TRP  28           HZ2      TRP  28  -8.298   6.902  -2.078
  228    HZ3  TRP  28           HZ3      TRP  28  -8.362   2.780  -3.267
  229    HH2  TRP  28           HH2      TRP  28  -9.563   4.898  -2.806
  230    H    TYR  29           H        TYR  29  -2.759   1.732  -4.659
  231    HA   TYR  29           HA       TYR  29  -5.263   2.370  -6.097
  232   1HB   TYR  29          1HB       TYR  29  -4.577   1.166  -8.048
  233   2HB   TYR  29          2HB       TYR  29  -3.288   2.298  -7.659
  234    HD1  TYR  29           HD1      TYR  29  -4.338  -1.263  -7.407
  235    HD2  TYR  29           HD2      TYR  29  -1.085   1.528  -7.123
  236    HE1  TYR  29           HE1      TYR  29  -2.730  -3.148  -7.324
  237    HE2  TYR  29           HE2      TYR  29   0.522  -0.359  -7.038
  238    HH   TYR  29           HH       TYR  29   0.014  -3.252  -8.022
  239    HA   PRO  30           HA       PRO  30  -6.641  -1.327  -4.072
  240   1HB   PRO  30          1HB       PRO  30  -9.011  -1.663  -5.386
  241   2HB   PRO  30          2HB       PRO  30  -8.739  -0.422  -4.153
  242   1HG   PRO  30          1HG       PRO  30  -8.983  -0.131  -7.084
  243   2HG   PRO  30          2HG       PRO  30  -9.291   1.051  -5.804
  244   1HD   PRO  30          1HD       PRO  30  -6.976   0.894  -7.460
  245   2HD   PRO  30          2HD       PRO  30  -7.208   1.946  -6.044
  246    H    THR  31           H        THR  31  -6.076  -3.405  -4.347
  247    HA   THR  31           HA       THR  31  -5.544  -4.430  -7.018
  248    HB   THR  31           HB       THR  31  -3.939  -4.882  -5.209
  249    HG1  THR  31           HG1      THR  31  -3.620  -6.894  -5.841
  250   1HG2  THR  31          1HG2      THR  31  -6.318  -6.250  -3.938
  251   2HG2  THR  31          2HG2      THR  31  -4.654  -6.549  -3.434
  252   3HG2  THR  31          3HG2      THR  31  -5.347  -4.935  -3.273
  253    H    SER  32           H        SER  32  -6.119  -7.079  -6.854
  254    HA   SER  32           HA       SER  32  -8.839  -7.217  -7.537
  255   1HB   SER  32          1HB       SER  32  -6.700  -9.216  -6.986
  256   2HB   SER  32          2HB       SER  32  -8.367  -9.783  -6.987
  257    HG   SER  32           HG       SER  32  -8.570  -8.748  -9.060
  258    H    GLN  33           H        GLN  33 -10.601  -8.251  -6.485
  259    HA   GLN  33           HA       GLN  33 -10.508  -7.949  -3.555
  260   1HB   GLN  33          1HB       GLN  33 -12.632  -7.666  -5.620
  261   2HB   GLN  33          2HB       GLN  33 -13.123  -8.269  -4.037
  262   1HG   GLN  33          1HG       GLN  33 -12.246  -6.327  -2.931
  263   2HG   GLN  33          2HG       GLN  33 -11.444  -5.777  -4.401
  264   2HE2  GLN  33          2HE2      GLN  33 -13.493  -4.290  -2.855
  265   1HE2  GLN  33          1HE2      GLN  33 -14.793  -4.037  -3.918
  266    H    LEU  34           H        LEU  34 -11.095 -10.255  -6.118
  267    HA   LEU  34           HA       LEU  34 -12.092 -12.290  -4.296
  268   1HB   LEU  34          1HB       LEU  34 -11.350 -12.465  -7.217
  269   2HB   LEU  34          2HB       LEU  34 -12.118 -13.734  -6.292
  270    HG   LEU  34           HG       LEU  34 -13.827 -12.704  -7.584
  271   1HD1  LEU  34          1HD1      LEU  34 -14.114 -12.987  -4.970
  272   2HD1  LEU  34          2HD1      LEU  34 -14.211 -11.226  -5.005
  273   3HD1  LEU  34          3HD1      LEU  34 -15.367 -12.191  -5.922
  274   1HD2  LEU  34          1HD2      LEU  34 -12.287 -10.539  -7.752
  275   2HD2  LEU  34          2HD2      LEU  34 -14.031 -10.434  -7.995
  276   3HD2  LEU  34          3HD2      LEU  34 -13.329  -9.984  -6.442
  277    H    CYS  35           H        CYS  35  -9.856 -11.712  -3.165
  278    HA   CYS  35           HA       CYS  35  -7.956 -13.818  -4.010
  279   1HB   CYS  35          1HB       CYS  35  -7.173 -11.200  -2.707
  280   2HB   CYS  35          2HB       CYS  35  -6.092 -12.452  -3.318
  281    H    SER  36           H        SER  36  -6.376 -14.240  -2.074
  282    HA   SER  36           HA       SER  36  -7.982 -15.220   0.084
  283   1HB   SER  36          1HB       SER  36  -5.592 -15.626   1.084
  284   2HB   SER  36          2HB       SER  36  -6.133 -16.575  -0.298
  285    HG   SER  36           HG       SER  36  -4.151 -15.777  -0.833
  286    H    LYS  37           H        LYS  37  -5.675 -12.577  -0.303
  287    HA   LYS  37           HA       LYS  37  -6.823 -11.273   2.066
  288   1HB   LYS  37          1HB       LYS  37  -3.943 -12.039   1.694
  289   2HB   LYS  37          2HB       LYS  37  -4.355 -10.582   2.599
  290   1HG   LYS  37          1HG       LYS  37  -5.894 -13.032   3.281
  291   2HG   LYS  37          2HG       LYS  37  -4.195 -13.022   3.752
  292   1HD   LYS  37          1HD       LYS  37  -5.745 -10.546   4.321
  293   2HD   LYS  37          2HD       LYS  37  -6.126 -11.962   5.302
  294   1HE   LYS  37          1HE       LYS  37  -3.914 -12.130   6.126
  295   2HE   LYS  37          2HE       LYS  37  -3.273 -11.083   4.861
  296   1HZ   LYS  37          1HZ       LYS  37  -4.801  -9.326   5.868
  297   2HZ   LYS  37          2HZ       LYS  37  -4.880 -10.346   7.225
  298   3HZ   LYS  37          3HZ       LYS  37  -3.386  -9.722   6.722
  299    HA   PRO  38           HA       PRO  38  -6.070  -8.388  -1.477
  300   1HB   PRO  38          1HB       PRO  38  -8.641  -7.512  -1.749
  301   2HB   PRO  38          2HB       PRO  38  -8.000  -8.945  -2.564
  302   1HG   PRO  38          1HG       PRO  38  -9.865  -8.767  -0.276
  303   2HG   PRO  38          2HG       PRO  38  -9.657 -10.062  -1.465
  304   1HD   PRO  38          1HD       PRO  38  -8.657 -10.019   1.202
  305   2HD   PRO  38          2HD       PRO  38  -8.282 -11.216  -0.059
  306    H    GLY  39           H        GLY  39  -6.195  -6.062  -1.548
  307   1HA   GLY  39          1HA       GLY  39  -5.673  -4.727   0.831
  308   2HA   GLY  39          2HA       GLY  39  -7.389  -4.489   0.505
  309    H    VAL  40           H        VAL  40  -4.463  -3.100   0.135
  310    HA   VAL  40           HA       VAL  40  -4.834  -2.058  -2.564
  311    HB   VAL  40           HB       VAL  40  -4.846  -0.168  -0.197
  312   1HG1  VAL  40          1HG1      VAL  40  -3.922   0.373  -2.640
  313   2HG1  VAL  40          2HG1      VAL  40  -5.643   0.584  -2.965
  314   3HG1  VAL  40          3HG1      VAL  40  -4.856   1.549  -1.718
  315   1HG2  VAL  40          1HG2      VAL  40  -7.077  -1.117  -2.011
  316   2HG2  VAL  40          2HG2      VAL  40  -6.975  -1.319  -0.262
  317   3HG2  VAL  40          3HG2      VAL  40  -7.201   0.288  -0.952
  318    H    ILE  41           H        ILE  41  -2.962  -1.383  -3.468
  319    HA   ILE  41           HA       ILE  41  -0.554  -1.637  -1.810
  320    HB   ILE  41           HB       ILE  41  -1.158  -2.082  -4.693
  321   1HG1  ILE  41          1HG1      ILE  41  -0.912  -3.896  -3.017
  322   2HG1  ILE  41          2HG1      ILE  41   0.275  -4.017  -4.312
  323   1HG2  ILE  41          1HG2      ILE  41   1.594  -1.224  -3.734
  324   2HG2  ILE  41          2HG2      ILE  41   1.259  -1.960  -5.301
  325   3HG2  ILE  41          3HG2      ILE  41   0.594  -0.375  -4.908
  326   1HD1  ILE  41          1HD1      ILE  41   1.432  -2.385  -2.301
  327   2HD1  ILE  41          2HD1      ILE  41   0.719  -3.775  -1.488
  328   3HD1  ILE  41          3HD1      ILE  41   1.905  -4.019  -2.766
  329    H    PHE  42           H        PHE  42   0.328   0.142  -1.062
  330    HA   PHE  42           HA       PHE  42  -0.377   2.736  -2.164
  331   1HB   PHE  42          1HB       PHE  42   1.185   1.784   0.218
  332   2HB   PHE  42          2HB       PHE  42   1.389   3.440  -0.345
  333    HD1  PHE  42           HD1      PHE  42  -1.109   0.960   0.854
  334    HD2  PHE  42           HD2      PHE  42  -0.284   5.092   0.026
  335    HE1  PHE  42           HE1      PHE  42  -3.209   1.609   2.004
  336    HE2  PHE  42           HE2      PHE  42  -2.384   5.740   1.171
  337    HZ   PHE  42           HZ       PHE  42  -3.844   4.001   2.165
  338    H    LEU  43           H        LEU  43   0.868   3.946  -3.473
  339    HA   LEU  43           HA       LEU  43   3.471   2.818  -4.291
  340   1HB   LEU  43          1HB       LEU  43   1.292   4.192  -5.691
  341   2HB   LEU  43          2HB       LEU  43   2.875   4.820  -6.090
  342    HG   LEU  43           HG       LEU  43   3.596   2.632  -6.855
  343   1HD1  LEU  43          1HD1      LEU  43   2.199   1.380  -5.140
  344   2HD1  LEU  43          2HD1      LEU  43   0.813   1.637  -6.197
  345   3HD1  LEU  43          3HD1      LEU  43   2.188   0.689  -6.762
  346   1HD2  LEU  43          1HD2      LEU  43   2.011   4.230  -8.224
  347   2HD2  LEU  43          2HD2      LEU  43   2.366   2.617  -8.840
  348   3HD2  LEU  43          3HD2      LEU  43   0.840   2.928  -8.014
  349    H    THR  44           H        THR  44   4.966   3.688  -2.932
  350    HA   THR  44           HA       THR  44   4.838   6.334  -1.900
  351    HB   THR  44           HB       THR  44   7.249   5.952  -1.338
  352    HG1  THR  44           HG1      THR  44   7.501   4.556  -3.283
  353   1HG2  THR  44          1HG2      THR  44   5.028   4.090  -0.652
  354   2HG2  THR  44          2HG2      THR  44   6.651   3.642  -0.126
  355   3HG2  THR  44          3HG2      THR  44   5.949   5.175   0.390
  356    H    LYS  45           H        LYS  45   6.571   7.990  -2.353
  357    HA   LYS  45           HA       LYS  45   6.410   8.875  -5.015
  358   1HB   LYS  45          1HB       LYS  45   8.047   9.650  -2.639
  359   2HB   LYS  45          2HB       LYS  45   8.521  10.271  -4.221
  360   1HG   LYS  45          1HG       LYS  45   6.651  11.579  -4.420
  361   2HG   LYS  45          2HG       LYS  45   5.626  10.426  -3.567
  362   1HD   LYS  45          1HD       LYS  45   5.749  12.003  -1.909
  363   2HD   LYS  45          2HD       LYS  45   7.251  11.155  -1.538
  364   1HE   LYS  45          1HE       LYS  45   8.581  12.796  -2.540
  365   2HE   LYS  45          2HE       LYS  45   7.262  13.386  -3.551
  366   1HZ   LYS  45          1HZ       LYS  45   7.292  13.633  -0.597
  367   2HZ   LYS  45          2HZ       LYS  45   7.859  14.846  -1.638
  368   3HZ   LYS  45          3HZ       LYS  45   6.226  14.382  -1.688
  369    H    ARG  46           H        ARG  46   9.216   7.533  -3.276
  370    HA   ARG  46           HA       ARG  46  10.248   6.545  -5.865
  371   1HB   ARG  46          1HB       ARG  46  11.459   8.598  -5.048
  372   2HB   ARG  46          2HB       ARG  46  11.967   7.650  -3.650
  373   1HG   ARG  46          1HG       ARG  46  13.345   6.272  -4.908
  374   2HG   ARG  46          2HG       ARG  46  12.412   6.516  -6.385
  375   1HD   ARG  46          1HD       ARG  46  13.215   8.938  -6.330
  376   2HD   ARG  46          2HD       ARG  46  14.348   8.436  -5.080
  377    HE   ARG  46           HE       ARG  46  14.538   7.870  -7.905
  378   1HH1  ARG  46          1HH1      ARG  46  15.421   6.782  -4.697
  379   2HH1  ARG  46          2HH1      ARG  46  16.804   5.904  -5.253
  380   1HH2  ARG  46          1HH2      ARG  46  16.349   6.712  -8.586
  381   2HH2  ARG  46          2HH2      ARG  46  17.327   5.864  -7.434
  382    H    GLY  47           H        GLY  47   9.118   5.613  -2.900
  383   1HA   GLY  47          1HA       GLY  47   9.494   3.832  -1.491
  384   2HA   GLY  47          2HA       GLY  47  11.105   3.678  -2.177
  385    H    ARG  48           H        ARG  48   8.122   2.263  -1.909
  386    HA   ARG  48           HA       ARG  48   8.123   0.880  -4.475
  387   1HB   ARG  48          1HB       ARG  48   9.277  -0.279  -2.025
  388   2HB   ARG  48          2HB       ARG  48   8.088  -1.311  -2.811
  389   1HG   ARG  48          1HG       ARG  48   9.389  -0.713  -5.002
  390   2HG   ARG  48          2HG       ARG  48  10.689  -0.261  -3.898
  391   1HD   ARG  48          1HD       ARG  48  11.046  -2.424  -3.210
  392   2HD   ARG  48          2HD       ARG  48   9.357  -2.878  -3.409
  393    HE   ARG  48           HE       ARG  48  10.633  -2.356  -5.929
  394   1HH1  ARG  48          1HH1      ARG  48  10.241  -4.749  -3.404
  395   2HH1  ARG  48          2HH1      ARG  48  10.553  -6.081  -4.462
  396   1HH2  ARG  48          1HH2      ARG  48  11.035  -4.122  -7.273
  397   2HH2  ARG  48          2HH2      ARG  48  11.000  -5.731  -6.634
  398    H    GLN  49           H        GLN  49   6.526  -1.226  -3.956
  399    HA   GLN  49           HA       GLN  49   3.977   0.020  -3.384
  400   1HB   GLN  49          1HB       GLN  49   4.849  -2.709  -4.314
  401   2HB   GLN  49          2HB       GLN  49   3.183  -2.400  -3.832
  402   1HG   GLN  49          1HG       GLN  49   3.024  -0.586  -5.483
  403   2HG   GLN  49          2HG       GLN  49   4.704  -0.850  -5.947
  404   2HE2  GLN  49          2HE2      GLN  49   2.266  -1.172  -7.653
  405   1HE2  GLN  49          1HE2      GLN  49   2.289  -2.785  -8.181
  406    H    VAL  50           H        VAL  50   2.480  -0.771  -1.779
  407    HA   VAL  50           HA       VAL  50   3.657  -2.389   0.393
  408    HB   VAL  50           HB       VAL  50   2.286   0.257   0.846
  409   1HG1  VAL  50          1HG1      VAL  50   3.724  -1.653   2.716
  410   2HG1  VAL  50          2HG1      VAL  50   3.090  -0.073   3.176
  411   3HG1  VAL  50          3HG1      VAL  50   1.986  -1.353   2.676
  412   1HG2  VAL  50          1HG2      VAL  50   5.215  -0.505   1.034
  413   2HG2  VAL  50          2HG2      VAL  50   4.503   0.600  -0.142
  414   3HG2  VAL  50          3HG2      VAL  50   4.537   1.033   1.567
  415    H    CYS  51           H        CYS  51   2.267  -3.965   0.874
  416    HA   CYS  51           HA       CYS  51  -0.513  -3.843   0.097
  417   1HB   CYS  51          1HB       CYS  51   1.146  -5.854   1.620
  418   2HB   CYS  51          2HB       CYS  51  -0.600  -6.028   1.454
  419    H    ALA  52           H        ALA  52  -1.763  -2.432   1.215
  420    HA   ALA  52           HA       ALA  52  -1.667  -2.609   4.172
  421   1HB   ALA  52          1HB       ALA  52  -0.807  -0.429   2.978
  422   2HB   ALA  52          2HB       ALA  52  -2.529  -0.089   2.809
  423   3HB   ALA  52          3HB       ALA  52  -1.828  -0.314   4.412
  424    H    ASP  53           H        ASP  53  -3.522  -3.037   5.155
  425    HA   ASP  53           HA       ASP  53  -5.941  -3.334   3.546
  426   1HB   ASP  53          1HB       ASP  53  -4.983  -4.320   6.172
  427   2HB   ASP  53          2HB       ASP  53  -6.712  -3.988   6.073
  428    H    LYS  54           H        LYS  54  -7.604  -1.951   3.551
  429    HA   LYS  54           HA       LYS  54  -7.402   0.635   4.615
  430   1HB   LYS  54          1HB       LYS  54  -8.912  -0.070   2.732
  431   2HB   LYS  54          2HB       LYS  54  -9.982  -0.789   3.936
  432   1HG   LYS  54          1HG       LYS  54 -10.005   1.493   5.082
  433   2HG   LYS  54          2HG       LYS  54  -9.236   2.125   3.626
  434   1HD   LYS  54          1HD       LYS  54 -11.171   0.987   2.344
  435   2HD   LYS  54          2HD       LYS  54 -11.972   0.888   3.912
  436   1HE   LYS  54          1HE       LYS  54 -11.000   3.407   2.536
  437   2HE   LYS  54          2HE       LYS  54 -12.678   2.937   2.810
  438   1HZ   LYS  54          1HZ       LYS  54 -12.106   2.920   5.241
  439   2HZ   LYS  54          2HZ       LYS  54 -10.645   3.684   4.831
  440   3HZ   LYS  54          3HZ       LYS  54 -12.122   4.452   4.505
  441    H    SER  55           H        SER  55  -8.557  -2.324   6.046
  442    HA   SER  55           HA       SER  55 -10.223  -1.349   8.066
  443   1HB   SER  55          1HB       SER  55  -8.627  -3.793   7.640
  444   2HB   SER  55          2HB       SER  55  -9.023  -3.435   9.317
  445    HG   SER  55           HG       SER  55 -11.059  -3.824   8.908
  446    H    LYS  56           H        LYS  56  -6.749  -1.261   7.758
  447    HA   LYS  56           HA       LYS  56  -6.027  -0.856  10.449
  448   1HB   LYS  56          1HB       LYS  56  -4.711   0.321   7.988
  449   2HB   LYS  56          2HB       LYS  56  -3.972   0.130   9.577
  450   1HG   LYS  56          1HG       LYS  56  -5.157  -2.312   8.358
  451   2HG   LYS  56          2HG       LYS  56  -3.676  -1.699   7.623
  452   1HD   LYS  56          1HD       LYS  56  -2.412  -2.061   9.534
  453   2HD   LYS  56          2HD       LYS  56  -3.805  -1.913  10.608
  454   1HE   LYS  56          1HE       LYS  56  -4.659  -4.084   9.529
  455   2HE   LYS  56          2HE       LYS  56  -3.033  -4.260   8.869
  456   1HZ   LYS  56          1HZ       LYS  56  -2.224  -3.965  11.212
  457   2HZ   LYS  56          2HZ       LYS  56  -3.836  -4.145  11.717
  458   3HZ   LYS  56          3HZ       LYS  56  -3.058  -5.413  10.904
  459    H    ASP  57           H        ASP  57  -4.787   1.455  10.826
  460    HA   ASP  57           HA       ASP  57  -6.971   3.441  10.700
  461   1HB   ASP  57          1HB       ASP  57  -4.704   3.039  12.648
  462   2HB   ASP  57          2HB       ASP  57  -5.624   4.543  12.578
  463    H    TRP  58           H        TRP  58  -3.405   3.284  10.680
  464    HA   TRP  58           HA       TRP  58  -3.003   5.893   9.707
  465   1HB   TRP  58          1HB       TRP  58  -0.737   5.128   9.073
  466   2HB   TRP  58          2HB       TRP  58  -1.171   4.654  10.712
  467    HD1  TRP  58           HD1      TRP  58  -1.741   2.069  11.139
  468    HE1  TRP  58           HE1      TRP  58  -1.033  -0.053   9.861
  469    HE3  TRP  58           HE3      TRP  58  -0.230   4.156   6.736
  470    HZ2  TRP  58           HZ2      TRP  58   0.035  -0.773   7.295
  471    HZ3  TRP  58           HZ3      TRP  58   0.630   2.737   4.897
  472    HH2  TRP  58           HH2      TRP  58   0.762   0.279   5.171
  473    H    VAL  59           H        VAL  59  -3.781   2.908   8.076
  474    HA   VAL  59           HA       VAL  59  -3.095   3.799   5.438
  475    HB   VAL  59           HB       VAL  59  -5.054   1.637   6.246
  476   1HG1  VAL  59          1HG1      VAL  59  -3.874   2.585   3.690
  477   2HG1  VAL  59          2HG1      VAL  59  -3.910   0.836   3.920
  478   3HG1  VAL  59          3HG1      VAL  59  -5.407   1.766   3.985
  479   1HG2  VAL  59          1HG2      VAL  59  -2.816   1.314   7.261
  480   2HG2  VAL  59          2HG2      VAL  59  -3.134   0.111   6.010
  481   3HG2  VAL  59          3HG2      VAL  59  -2.079   1.482   5.667
  482    H    LYS  60           H        LYS  60  -5.930   3.960   7.488
  483    HA   LYS  60           HA       LYS  60  -7.813   4.727   5.511
  484   1HB   LYS  60          1HB       LYS  60  -8.253   3.950   7.925
  485   2HB   LYS  60          2HB       LYS  60  -7.916   5.618   8.389
  486   1HG   LYS  60          1HG       LYS  60  -9.633   6.237   6.528
  487   2HG   LYS  60          2HG       LYS  60 -10.150   4.558   6.669
  488   1HD   LYS  60          1HD       LYS  60 -11.019   4.855   8.773
  489   2HD   LYS  60          2HD       LYS  60  -9.816   6.068   9.212
  490   1HE   LYS  60          1HE       LYS  60 -10.950   7.772   7.963
  491   2HE   LYS  60          2HE       LYS  60 -12.011   6.592   7.196
  492   1HZ   LYS  60          1HZ       LYS  60 -11.966   6.820  10.127
  493   2HZ   LYS  60          2HZ       LYS  60 -12.850   7.948   9.215
  494   3HZ   LYS  60          3HZ       LYS  60 -13.221   6.296   9.107
  495    H    LYS  61           H        LYS  61  -5.758   6.603   7.722
  496    HA   LYS  61           HA       LYS  61  -6.680   9.165   7.014
  497   1HB   LYS  61          1HB       LYS  61  -3.896   8.363   7.899
  498   2HB   LYS  61          2HB       LYS  61  -4.560   9.997   7.929
  499   1HG   LYS  61          1HG       LYS  61  -6.443   9.033   9.386
  500   2HG   LYS  61          2HG       LYS  61  -5.417   7.609   9.568
  501   1HD   LYS  61          1HD       LYS  61  -3.654   8.910  10.567
  502   2HD   LYS  61          2HD       LYS  61  -4.478  10.421  10.183
  503   1HE   LYS  61          1HE       LYS  61  -5.910   8.382  11.849
  504   2HE   LYS  61          2HE       LYS  61  -4.668   9.381  12.607
  505   1HZ   LYS  61          1HZ       LYS  61  -5.869  11.326  11.564
  506   2HZ   LYS  61          2HZ       LYS  61  -7.152  10.259  11.262
  507   3HZ   LYS  61          3HZ       LYS  61  -6.657  10.559  12.860
  508    H    LEU  62           H        LEU  62  -4.066   7.182   5.660
  509    HA   LEU  62           HA       LEU  62  -3.078   9.076   3.817
  510   1HB   LEU  62          1HB       LEU  62  -3.170   6.072   3.596
  511   2HB   LEU  62          2HB       LEU  62  -2.227   7.127   2.569
  512    HG   LEU  62           HG       LEU  62  -1.779   7.286   5.515
  513   1HD1  LEU  62          1HD1      LEU  62  -1.278   4.918   3.784
  514   2HD1  LEU  62          2HD1      LEU  62   0.039   5.410   4.848
  515   3HD1  LEU  62          3HD1      LEU  62  -1.537   5.006   5.524
  516   1HD2  LEU  62          1HD2      LEU  62  -0.349   7.830   2.960
  517   2HD2  LEU  62          2HD2      LEU  62  -0.333   8.737   4.470
  518   3HD2  LEU  62          3HD2      LEU  62   0.641   7.276   4.310
  519    H    MET  63           H        MET  63  -5.587   6.607   3.556
  520    HA   MET  63           HA       MET  63  -6.222   6.789   0.857
  521   1HB   MET  63          1HB       MET  63  -7.907   6.214   3.283
  522   2HB   MET  63          2HB       MET  63  -8.612   6.242   1.666
  523   1HG   MET  63          1HG       MET  63  -6.441   4.702   1.181
  524   2HG   MET  63          2HG       MET  63  -6.715   4.295   2.874
  525   1HE   MET  63          1HE       MET  63  -7.067   3.640  -0.399
  526   2HE   MET  63          2HE       MET  63  -7.248   2.006   0.231
  527   3HE   MET  63          3HE       MET  63  -8.534   2.728  -0.748
  528    H    GLN  64           H        GLN  64  -7.188   8.868   3.527
  529    HA   GLN  64           HA       GLN  64  -8.936  10.483   1.859
  530   1HB   GLN  64          1HB       GLN  64  -7.979  10.750   4.714
  531   2HB   GLN  64          2HB       GLN  64  -9.001  11.954   3.928
  532   1HG   GLN  64          1HG       GLN  64 -10.727  10.282   3.513
  533   2HG   GLN  64          2HG       GLN  64  -9.695   9.013   4.172
  534   2HE2  GLN  64          2HE2      GLN  64  -9.189   9.139   6.531
  535   1HE2  GLN  64          1HE2      GLN  64 -10.243   9.967   7.571
  536    H    GLN  65           H        GLN  65  -5.649  10.560   3.066
  537    HA   GLN  65           HA       GLN  65  -5.116  13.294   2.431
  538   1HB   GLN  65          1HB       GLN  65  -3.475  10.910   3.170
  539   2HB   GLN  65          2HB       GLN  65  -2.665  12.303   2.457
  540   1HG   GLN  65          1HG       GLN  65  -4.255  13.551   4.275
  541   2HG   GLN  65          2HG       GLN  65  -3.963  12.024   5.107
  542   2HE2  GLN  65          2HE2      GLN  65  -2.533  15.057   4.202
  543   1HE2  GLN  65          1HE2      GLN  65  -0.983  14.745   4.819
  544    H    LEU  66           H        LEU  66  -4.492  10.215   0.789
  545    HA   LEU  66           HA       LEU  66  -3.580  11.667  -1.601
  546   1HB   LEU  66          1HB       LEU  66  -3.668   8.686  -1.316
  547   2HB   LEU  66          2HB       LEU  66  -2.649   9.658  -2.357
  548    HG   LEU  66           HG       LEU  66  -2.398   9.360   0.645
  549   1HD1  LEU  66          1HD1      LEU  66  -0.669   8.474  -1.685
  550   2HD1  LEU  66          2HD1      LEU  66  -0.208   8.344   0.012
  551   3HD1  LEU  66          3HD1      LEU  66  -1.582   7.424  -0.601
  552   1HD2  LEU  66          1HD2      LEU  66  -0.883  11.062  -1.357
  553   2HD2  LEU  66          2HD2      LEU  66  -1.790  11.623   0.047
  554   3HD2  LEU  66          3HD2      LEU  66  -0.294  10.715   0.269
  555    HA   PRO  67           HA       PRO  67  -7.484  10.892  -3.525
  556   1HB   PRO  67          1HB       PRO  67  -6.781  11.244  -6.148
  557   2HB   PRO  67          2HB       PRO  67  -6.977  12.569  -4.990
  558   1HG   PRO  67          1HG       PRO  67  -4.496  11.425  -6.126
  559   2HG   PRO  67          2HG       PRO  67  -4.801  13.044  -5.481
  560   1HD   PRO  67          1HD       PRO  67  -3.463  10.917  -4.151
  561   2HD   PRO  67          2HD       PRO  67  -3.986  12.458  -3.431
  562    H    VAL  68           H        VAL  68  -5.358   9.636  -6.076
  563    HA   VAL  68           HA       VAL  68  -5.309   6.944  -5.621
  564    HB   VAL  68           HB       VAL  68  -8.039   7.815  -6.310
  565   1HG1  VAL  68          1HG1      VAL  68  -6.815   5.569  -7.938
  566   2HG1  VAL  68          2HG1      VAL  68  -8.547   5.846  -7.764
  567   3HG1  VAL  68          3HG1      VAL  68  -7.538   7.052  -8.563
  568   1HG2  VAL  68          1HG2      VAL  68  -6.794   6.066  -4.560
  569   2HG2  VAL  68          2HG2      VAL  68  -8.530   6.177  -4.840
  570   3HG2  VAL  68          3HG2      VAL  68  -7.570   4.983  -5.713
  571    H    THR  69           H        THR  69  -4.697   5.714  -7.513
  572    HA   THR  69           HA       THR  69  -3.148   7.247  -9.345
  573    HB   THR  69           HB       THR  69  -3.131   4.861 -10.532
  574    HG1  THR  69           HG1      THR  69  -4.718   3.912  -9.330
  575   1HG2  THR  69          1HG2      THR  69  -1.814   5.739  -7.966
  576   2HG2  THR  69          2HG2      THR  69  -1.417   4.192  -8.713
  577   3HG2  THR  69          3HG2      THR  69  -1.132   5.694  -9.592
  578    H    ALA  70           H        ALA  70  -3.317   6.976 -11.737
  579    HA   ALA  70           HA       ALA  70  -4.455   7.328 -13.705
  580   1HB   ALA  70          1HB       ALA  70  -6.219   5.895 -14.214
  581   2HB   ALA  70          2HB       ALA  70  -5.399   5.015 -12.925
  582   3HB   ALA  70          3HB       ALA  70  -6.860   5.937 -12.572
  583    H    ARG  71           H        ARG  71  -4.957   9.397 -14.005
  584    HA   ARG  71           HA       ARG  71  -6.530  10.983 -12.288
  585   1HB   ARG  71          1HB       ARG  71  -6.595  12.602 -14.175
  586   2HB   ARG  71          2HB       ARG  71  -4.967  12.005 -13.848
  587   1HG   ARG  71          1HG       ARG  71  -5.797  10.148 -15.647
  588   2HG   ARG  71          2HG       ARG  71  -6.713  11.548 -16.204
  589   1HD   ARG  71          1HD       ARG  71  -4.775  11.970 -17.349
  590   2HD   ARG  71          2HD       ARG  71  -4.330  12.732 -15.826
  591    HE   ARG  71           HE       ARG  71  -3.524  10.145 -15.496
  592   1HH1  ARG  71          1HH1      ARG  71  -2.969  12.556 -17.972
  593   2HH1  ARG  71          2HH1      ARG  71  -1.409  11.935 -18.388
  594   1HH2  ARG  71          1HH2      ARG  71  -1.486   9.367 -16.069
  595   2HH2  ARG  71          2HH2      ARG  71  -0.575  10.145 -17.321

  No H/Q in entry =         595
  Start of MODEL    3
    1    H1   LEU   1           H1       LEU   1   6.113 -21.895  -7.131
    2    H2   LEU   1           H2       LEU   1   6.863 -21.335  -5.712
    3    H3   LEU   1           H3       LEU   1   5.666 -20.398  -6.472
    4    HA   LEU   1           HA       LEU   1   7.036 -19.741  -8.180
    5   1HB   LEU   1          1HB       LEU   1   8.558 -20.061  -5.604
    6   2HB   LEU   1          2HB       LEU   1   9.354 -19.376  -7.021
    7    HG   LEU   1           HG       LEU   1   7.302 -17.814  -7.181
    8   1HD1  LEU   1          1HD1      LEU   1   6.871 -19.213  -4.586
    9   2HD1  LEU   1          2HD1      LEU   1   6.563 -17.476  -4.615
   10   3HD1  LEU   1          3HD1      LEU   1   5.690 -18.545  -5.712
   11   1HD2  LEU   1          1HD2      LEU   1   9.305 -17.640  -4.909
   12   2HD2  LEU   1          2HD2      LEU   1   9.480 -16.970  -6.531
   13   3HD2  LEU   1          3HD2      LEU   1   8.286 -16.296  -5.422
   14    H    GLY   2           H        GLY   2   7.674 -20.805  -9.937
   15   1HA   GLY   2          1HA       GLY   2   8.564 -23.387 -10.184
   16   2HA   GLY   2          2HA       GLY   2  10.032 -22.452  -9.915
   17    H    ALA   3           H        ALA   3   8.144 -23.737 -12.252
   18    HA   ALA   3           HA       ALA   3   9.143 -21.825 -14.262
   19   1HB   ALA   3          1HB       ALA   3   8.537 -24.753 -14.292
   20   2HB   ALA   3          2HB       ALA   3   9.929 -23.889 -14.944
   21   3HB   ALA   3          3HB       ALA   3   8.386 -23.844 -15.796
   22    H    SER   4           H        SER   4   6.766 -21.314 -12.673
   23    HA   SER   4           HA       SER   4   4.482 -21.815 -14.387
   24   1HB   SER   4          1HB       SER   4   3.387 -20.177 -12.711
   25   2HB   SER   4          2HB       SER   4   3.902 -21.751 -12.112
   26    HG   SER   4           HG       SER   4   5.273 -19.271 -11.915
   27    H    TRP   5           H        TRP   5   4.060 -20.663 -16.138
   28    HA   TRP   5           HA       TRP   5   5.093 -17.900 -16.311
   29   1HB   TRP   5          1HB       TRP   5   5.728 -19.695 -18.059
   30   2HB   TRP   5          2HB       TRP   5   4.075 -19.507 -18.644
   31    HD1  TRP   5           HD1      TRP   5   7.390 -17.661 -18.349
   32    HE1  TRP   5           HE1      TRP   5   7.304 -15.546 -19.821
   33    HE3  TRP   5           HE3      TRP   5   2.463 -17.719 -19.691
   34    HZ2  TRP   5           HZ2      TRP   5   5.397 -14.073 -21.364
   35    HZ3  TRP   5           HZ3      TRP   5   1.539 -15.951 -21.160
   36    HH2  TRP   5           HH2      TRP   5   2.999 -14.129 -21.998
   37    H    HIS   6           H        HIS   6   2.239 -19.917 -16.586
   38    HA   HIS   6           HA       HIS   6   0.577 -17.566 -17.201
   39   1HB   HIS   6          1HB       HIS   6  -0.077 -20.523 -17.172
   40   2HB   HIS   6          2HB       HIS   6  -1.238 -19.244 -17.531
   41    HD1  HIS   6           HD1      HIS   6  -1.266 -18.342 -19.883
   42    HD2  HIS   6           HD2      HIS   6   2.136 -20.626 -19.121
   43    HE1  HIS   6           HE1      HIS   6  -0.062 -18.593 -22.097
   44    H    ARG   7           H        ARG   7   0.774 -16.609 -15.114
   45    HA   ARG   7           HA       ARG   7  -1.263 -17.491 -13.278
   46   1HB   ARG   7          1HB       ARG   7   1.031 -18.764 -12.793
   47   2HB   ARG   7          2HB       ARG   7   1.397 -17.256 -11.954
   48   1HG   ARG   7          1HG       ARG   7  -1.105 -17.654 -11.040
   49   2HG   ARG   7          2HG       ARG   7  -0.636 -19.332 -11.316
   50   1HD   ARG   7          1HD       ARG   7   0.873 -17.305  -9.646
   51   2HD   ARG   7          2HD       ARG   7  -0.051 -18.672  -9.034
   52    HE   ARG   7           HE       ARG   7   1.765 -19.835 -10.707
   53   1HH1  ARG   7          1HH1      ARG   7   2.026 -17.588  -8.036
   54   2HH1  ARG   7          2HH1      ARG   7   3.596 -18.144  -7.574
   55   1HH2  ARG   7          1HH2      ARG   7   3.813 -20.530 -10.070
   56   2HH2  ARG   7          2HH2      ARG   7   4.601 -19.795  -8.713
   57    HA   PRO   8           HA       PRO   8  -0.424 -12.973 -13.196
   58   1HB   PRO   8          1HB       PRO   8  -3.013 -12.188 -13.583
   59   2HB   PRO   8          2HB       PRO   8  -1.895 -12.572 -14.901
   60   1HG   PRO   8          1HG       PRO   8  -4.192 -14.126 -13.878
   61   2HG   PRO   8          2HG       PRO   8  -3.440 -14.146 -15.480
   62   1HD   PRO   8          1HD       PRO   8  -3.068 -16.056 -13.399
   63   2HD   PRO   8          2HD       PRO   8  -2.163 -15.953 -14.928
   64    H    ASP   9           H        ASP   9  -0.351 -14.300 -10.857
   65    HA   ASP   9           HA       ASP   9  -2.500 -13.224  -9.150
   66   1HB   ASP   9          1HB       ASP   9  -1.550 -15.708  -9.121
   67   2HB   ASP   9          2HB       ASP   9  -0.342 -14.977  -8.063
   68    H    LYS  10           H        LYS  10  -2.151 -11.611  -7.752
   69    HA   LYS  10           HA       LYS  10   0.480 -10.974  -6.746
   70   1HB   LYS  10          1HB       LYS  10   0.493  -8.658  -7.657
   71   2HB   LYS  10          2HB       LYS  10   0.667  -9.893  -8.902
   72   1HG   LYS  10          1HG       LYS  10  -1.478  -9.560  -9.736
   73   2HG   LYS  10          2HG       LYS  10  -2.081  -8.920  -8.206
   74   1HD   LYS  10          1HD       LYS  10   0.063  -7.401  -9.643
   75   2HD   LYS  10          2HD       LYS  10  -1.593  -7.295 -10.241
   76   1HE   LYS  10          1HE       LYS  10  -1.705  -5.598  -8.699
   77   2HE   LYS  10          2HE       LYS  10  -2.067  -6.940  -7.613
   78   1HZ   LYS  10          1HZ       LYS  10   0.731  -6.189  -8.111
   79   2HZ   LYS  10          2HZ       LYS  10  -0.197  -5.273  -7.022
   80   3HZ   LYS  10          3HZ       LYS  10   0.044  -6.933  -6.750
   81    H    CYS  11           H        CYS  11  -2.155 -11.647  -5.729
   82    HA   CYS  11           HA       CYS  11  -3.546  -9.404  -4.730
   83   1HB   CYS  11          1HB       CYS  11  -3.294 -12.118  -3.409
   84   2HB   CYS  11          2HB       CYS  11  -4.579 -10.937  -3.166
   85    H    CYS  12           H        CYS  12  -3.734  -9.491  -2.074
   86    HA   CYS  12           HA       CYS  12  -1.053  -8.635  -1.195
   87   1HB   CYS  12          1HB       CYS  12  -3.840  -7.898  -0.339
   88   2HB   CYS  12          2HB       CYS  12  -2.467  -7.615   0.731
   89    H    LEU  13           H        LEU  13  -0.415 -10.871  -0.855
   90    HA   LEU  13           HA       LEU  13  -1.721 -12.611   0.951
   91   1HB   LEU  13          1HB       LEU  13   0.089 -13.237  -0.675
   92   2HB   LEU  13          2HB       LEU  13   1.240 -12.470   0.398
   93    HG   LEU  13           HG       LEU  13   0.226 -14.133   2.175
   94   1HD1  LEU  13          1HD1      LEU  13  -1.501 -14.857   0.386
   95   2HD1  LEU  13          2HD1      LEU  13  -0.166 -15.749  -0.343
   96   3HD1  LEU  13          3HD1      LEU  13  -0.689 -16.129   1.298
   97   1HD2  LEU  13          1HD2      LEU  13   2.561 -14.018   1.011
   98   2HD2  LEU  13          2HD2      LEU  13   2.078 -15.531   1.779
   99   3HD2  LEU  13          3HD2      LEU  13   1.956 -15.352   0.028
  100    H    GLY  14           H        GLY  14   0.600 -10.018   1.381
  101   1HA   GLY  14          1HA       GLY  14   1.827 -10.051   3.648
  102   2HA   GLY  14          2HA       GLY  14   0.197 -10.205   4.300
  103    H    TYR  15           H        TYR  15   0.429  -8.215   5.414
  104    HA   TYR  15           HA       TYR  15   0.331  -5.830   3.659
  105   1HB   TYR  15          1HB       TYR  15  -1.174  -6.351   6.234
  106   2HB   TYR  15          2HB       TYR  15  -1.157  -4.813   5.374
  107    HD1  TYR  15           HD1      TYR  15  -1.762  -8.462   4.700
  108    HD2  TYR  15           HD2      TYR  15  -2.836  -4.400   3.824
  109    HE1  TYR  15           HE1      TYR  15  -3.570  -9.261   3.205
  110    HE2  TYR  15           HE2      TYR  15  -4.642  -5.195   2.328
  111    HH   TYR  15           HH       TYR  15  -4.879  -8.443   1.306
  112    H    GLN  16           H        GLN  16   0.826  -3.781   4.912
  113    HA   GLN  16           HA       GLN  16   3.439  -4.004   6.032
  114   1HB   GLN  16          1HB       GLN  16   2.300  -1.981   4.797
  115   2HB   GLN  16          2HB       GLN  16   1.750  -1.557   6.413
  116   1HG   GLN  16          1HG       GLN  16   3.869  -0.436   5.978
  117   2HG   GLN  16          2HG       GLN  16   4.109  -1.671   7.213
  118   2HE2  GLN  16          2HE2      GLN  16   6.459  -1.351   6.302
  119   1HE2  GLN  16          1HE2      GLN  16   6.901  -2.358   5.009
  120    H    LYS  17           H        LYS  17   4.058  -4.288   8.076
  121    HA   LYS  17           HA       LYS  17   1.981  -4.298  10.162
  122   1HB   LYS  17          1HB       LYS  17   3.699  -5.510  11.515
  123   2HB   LYS  17          2HB       LYS  17   3.262  -6.353  10.029
  124   1HG   LYS  17          1HG       LYS  17   5.309  -5.991   9.057
  125   2HG   LYS  17          2HG       LYS  17   5.523  -4.428   9.848
  126   1HD   LYS  17          1HD       LYS  17   6.440  -5.356  11.743
  127   2HD   LYS  17          2HD       LYS  17   5.499  -6.842  11.598
  128   1HE   LYS  17          1HE       LYS  17   7.620  -6.200   9.563
  129   2HE   LYS  17          2HE       LYS  17   8.069  -6.921  11.109
  130   1HZ   LYS  17          1HZ       LYS  17   6.172  -8.563  10.553
  131   2HZ   LYS  17          2HZ       LYS  17   6.402  -8.037   8.957
  132   3HZ   LYS  17          3HZ       LYS  17   7.686  -8.757   9.804
  133    H    ARG  18           H        ARG  18   3.209  -1.846   9.060
  134    HA   ARG  18           HA       ARG  18   3.809  -0.570  11.577
  135   1HB   ARG  18          1HB       ARG  18   5.934  -0.961   9.480
  136   2HB   ARG  18          2HB       ARG  18   5.962   0.442  10.549
  137   1HG   ARG  18          1HG       ARG  18   5.636  -1.334  12.450
  138   2HG   ARG  18          2HG       ARG  18   6.249  -2.466  11.245
  139   1HD   ARG  18          1HD       ARG  18   8.296  -1.241  11.009
  140   2HD   ARG  18          2HD       ARG  18   7.667   0.112  11.945
  141    HE   ARG  18           HE       ARG  18   8.844  -2.290  12.993
  142   1HH1  ARG  18          1HH1      ARG  18   6.471   0.205  13.627
  143   2HH1  ARG  18          2HH1      ARG  18   6.561   0.013  15.343
  144   1HH2  ARG  18          1HH2      ARG  18   8.930  -2.507  15.237
  145   2HH2  ARG  18          2HH2      ARG  18   7.941  -1.508  16.249
  146    HA   PRO  19           HA       PRO  19   1.924   2.614   9.127
  147   1HB   PRO  19          1HB       PRO  19   2.169   4.697  10.879
  148   2HB   PRO  19          2HB       PRO  19   0.997   3.384  11.065
  149   1HG   PRO  19          1HG       PRO  19   3.465   3.913  12.587
  150   2HG   PRO  19          2HG       PRO  19   2.034   2.981  13.048
  151   1HD   PRO  19          1HD       PRO  19   4.545   1.951  12.143
  152   2HD   PRO  19          2HD       PRO  19   3.059   1.032  12.475
  153    H    LEU  20           H        LEU  20   2.729   3.659   7.423
  154    HA   LEU  20           HA       LEU  20   5.407   4.877   7.610
  155   1HB   LEU  20          1HB       LEU  20   4.066   4.769   4.984
  156   2HB   LEU  20          2HB       LEU  20   5.725   4.425   5.413
  157    HG   LEU  20           HG       LEU  20   3.350   2.567   5.652
  158   1HD1  LEU  20          1HD1      LEU  20   4.679   3.061   3.431
  159   2HD1  LEU  20          2HD1      LEU  20   5.907   2.036   4.172
  160   3HD1  LEU  20          3HD1      LEU  20   4.292   1.398   3.869
  161   1HD2  LEU  20          1HD2      LEU  20   6.141   2.429   6.764
  162   2HD2  LEU  20          2HD2      LEU  20   4.619   1.976   7.529
  163   3HD2  LEU  20          3HD2      LEU  20   5.317   0.948   6.279
  164    HA   PRO  21           HA       PRO  21   3.565   8.895   7.298
  165   1HB   PRO  21          1HB       PRO  21   5.720  10.329   6.408
  166   2HB   PRO  21          2HB       PRO  21   5.559   9.720   8.065
  167   1HG   PRO  21          1HG       PRO  21   7.301   8.760   5.877
  168   2HG   PRO  21          2HG       PRO  21   7.505   8.609   7.629
  169   1HD   PRO  21          1HD       PRO  21   6.583   6.591   5.841
  170   2HD   PRO  21          2HD       PRO  21   6.593   6.518   7.618
  171    H    GLN  22           H        GLN  22   2.501  10.180   5.826
  172    HA   GLN  22           HA       GLN  22   2.392   9.324   3.093
  173   1HB   GLN  22          1HB       GLN  22   0.470  10.307   4.428
  174   2HB   GLN  22          2HB       GLN  22   1.240  11.879   4.216
  175   1HG   GLN  22          1HG       GLN  22   0.958  10.276   1.741
  176   2HG   GLN  22          2HG       GLN  22  -0.558  10.823   2.455
  177   2HE2  GLN  22          2HE2      GLN  22   1.524  11.750   0.135
  178   1HE2  GLN  22          1HE2      GLN  22   1.439  13.438   0.291
  179    H    VAL  23           H        VAL  23   4.557  11.349   4.718
  180    HA   VAL  23           HA       VAL  23   4.988  13.475   3.001
  181    HB   VAL  23           HB       VAL  23   6.068  13.218   5.207
  182   1HG1  VAL  23          1HG1      VAL  23   6.612  10.725   4.700
  183   2HG1  VAL  23          2HG1      VAL  23   8.058  11.361   3.918
  184   3HG1  VAL  23          3HG1      VAL  23   7.776  11.662   5.633
  185   1HG2  VAL  23          1HG2      VAL  23   7.966  13.535   2.868
  186   2HG2  VAL  23          2HG2      VAL  23   7.030  14.814   3.642
  187   3HG2  VAL  23          3HG2      VAL  23   8.330  14.014   4.525
  188    H    LEU  24           H        LEU  24   6.299  10.200   2.827
  189    HA   LEU  24           HA       LEU  24   7.624  10.822   0.294
  190   1HB   LEU  24          1HB       LEU  24   8.995   9.087   0.718
  191   2HB   LEU  24          2HB       LEU  24   8.411   9.258   2.353
  192    HG   LEU  24           HG       LEU  24   7.326   7.285   0.320
  193   1HD1  LEU  24          1HD1      LEU  24   9.674   6.853   1.056
  194   2HD1  LEU  24          2HD1      LEU  24   9.100   6.801   2.723
  195   3HD1  LEU  24          3HD1      LEU  24   8.542   5.598   1.560
  196   1HD2  LEU  24          1HD2      LEU  24   6.330   8.237   2.862
  197   2HD2  LEU  24          2HD2      LEU  24   5.607   7.065   1.764
  198   3HD2  LEU  24          3HD2      LEU  24   6.746   6.531   2.996
  199    H    LEU  25           H        LEU  25   4.893   9.091   1.589
  200    HA   LEU  25           HA       LEU  25   4.284   7.477  -0.614
  201   1HB   LEU  25          1HB       LEU  25   3.220   7.739   1.829
  202   2HB   LEU  25          2HB       LEU  25   2.033   8.628   0.908
  203    HG   LEU  25           HG       LEU  25   1.497   6.687  -0.413
  204   1HD1  LEU  25          1HD1      LEU  25   4.068   5.719   0.701
  205   2HD1  LEU  25          2HD1      LEU  25   2.795   4.506   0.567
  206   3HD1  LEU  25          3HD1      LEU  25   3.325   5.391  -0.863
  207   1HD2  LEU  25          1HD2      LEU  25   1.573   6.495   2.557
  208   2HD2  LEU  25          2HD2      LEU  25   0.191   6.449   1.463
  209   3HD2  LEU  25          3HD2      LEU  25   1.188   5.012   1.683
  210    H    SER  26           H        SER  26   2.930   7.694  -2.349
  211    HA   SER  26           HA       SER  26   2.329  10.494  -3.105
  212   1HB   SER  26          1HB       SER  26   2.728   9.959  -5.367
  213   2HB   SER  26          2HB       SER  26   4.031   9.175  -4.485
  214    HG   SER  26           HG       SER  26   2.997   7.812  -6.045
  215    H    SER  27           H        SER  27   1.176   7.181  -3.830
  216    HA   SER  27           HA       SER  27  -1.575   8.032  -3.323
  217   1HB   SER  27          1HB       SER  27  -2.420   7.529  -5.496
  218   2HB   SER  27          2HB       SER  27  -1.041   8.594  -5.743
  219    HG   SER  27           HG       SER  27   0.049   6.991  -6.610
  220    H    TRP  28           H        TRP  28  -2.934   5.946  -4.400
  221    HA   TRP  28           HA       TRP  28  -1.668   3.434  -3.613
  222   1HB   TRP  28          1HB       TRP  28  -3.651   2.885  -2.122
  223   2HB   TRP  28          2HB       TRP  28  -2.518   4.063  -1.468
  224    HD1  TRP  28           HD1      TRP  28  -3.263   6.639  -1.484
  225    HE1  TRP  28           HE1      TRP  28  -5.594   7.736  -1.508
  226    HE3  TRP  28           HE3      TRP  28  -6.099   2.647  -2.957
  227    HZ2  TRP  28           HZ2      TRP  28  -8.303   7.011  -2.092
  228    HZ3  TRP  28           HZ3      TRP  28  -8.546   2.883  -3.238
  229    HH2  TRP  28           HH2      TRP  28  -9.652   5.058  -2.804
  230    H    TYR  29           H        TYR  29  -2.481   1.723  -4.726
  231    HA   TYR  29           HA       TYR  29  -4.922   2.227  -6.319
  232   1HB   TYR  29          1HB       TYR  29  -4.002   0.971  -8.161
  233   2HB   TYR  29          2HB       TYR  29  -2.854   2.227  -7.716
  234    HD1  TYR  29           HD1      TYR  29  -0.926   1.546  -6.086
  235    HD2  TYR  29           HD2      TYR  29  -3.334  -1.270  -8.263
  236    HE1  TYR  29           HE1      TYR  29   0.826  -0.180  -5.799
  237    HE2  TYR  29           HE2      TYR  29  -1.579  -2.996  -7.970
  238    HH   TYR  29           HH       TYR  29   0.412  -3.279  -6.032
  239    HA   PRO  30           HA       PRO  30  -6.352  -1.500  -4.396
  240   1HB   PRO  30          1HB       PRO  30  -8.544  -1.967  -5.956
  241   2HB   PRO  30          2HB       PRO  30  -8.465  -0.694  -4.728
  242   1HG   PRO  30          1HG       PRO  30  -8.394  -0.466  -7.675
  243   2HG   PRO  30          2HG       PRO  30  -8.893   0.723  -6.464
  244   1HD   PRO  30          1HD       PRO  30  -6.404   0.643  -7.850
  245   2HD   PRO  30          2HD       PRO  30  -6.837   1.708  -6.492
  246    H    THR  31           H        THR  31  -6.074  -3.676  -4.572
  247    HA   THR  31           HA       THR  31  -5.038  -4.705  -7.120
  248    HB   THR  31           HB       THR  31  -3.669  -5.143  -5.154
  249    HG1  THR  31           HG1      THR  31  -3.378  -7.225  -5.580
  250   1HG2  THR  31          1HG2      THR  31  -6.295  -5.946  -4.031
  251   2HG2  THR  31          2HG2      THR  31  -4.907  -6.915  -3.540
  252   3HG2  THR  31          3HG2      THR  31  -4.919  -5.178  -3.241
  253    H    SER  32           H        SER  32  -5.611  -7.254  -7.221
  254    HA   SER  32           HA       SER  32  -8.269  -7.415  -8.100
  255   1HB   SER  32          1HB       SER  32  -6.952  -9.916  -7.176
  256   2HB   SER  32          2HB       SER  32  -7.796  -9.578  -8.684
  257    HG   SER  32           HG       SER  32  -5.449  -9.781  -8.825
  258    H    GLN  33           H        GLN  33 -10.154  -7.977  -7.174
  259    HA   GLN  33           HA       GLN  33 -10.246  -8.116  -4.269
  260   1HB   GLN  33          1HB       GLN  33 -11.855  -6.789  -5.804
  261   2HB   GLN  33          2HB       GLN  33 -12.634  -8.348  -6.080
  262   1HG   GLN  33          1HG       GLN  33 -13.266  -8.578  -3.835
  263   2HG   GLN  33          2HG       GLN  33 -12.043  -7.437  -3.275
  264   2HE2  GLN  33          2HE2      GLN  33 -13.751  -6.173  -2.178
  265   1HE2  GLN  33          1HE2      GLN  33 -14.788  -5.175  -3.078
  266    H    LEU  34           H        LEU  34 -10.347 -10.319  -6.931
  267    HA   LEU  34           HA       LEU  34 -11.759 -12.395  -5.482
  268   1HB   LEU  34          1HB       LEU  34 -10.258 -12.489  -8.099
  269   2HB   LEU  34          2HB       LEU  34 -11.212 -13.798  -7.440
  270    HG   LEU  34           HG       LEU  34 -12.544 -12.760  -9.114
  271   1HD1  LEU  34          1HD1      LEU  34 -13.523 -13.137  -6.700
  272   2HD1  LEU  34          2HD1      LEU  34 -13.611 -11.376  -6.673
  273   3HD1  LEU  34          3HD1      LEU  34 -14.482 -12.282  -7.909
  274   1HD2  LEU  34          1HD2      LEU  34 -11.077 -10.582  -8.887
  275   2HD2  LEU  34          2HD2      LEU  34 -12.735 -10.465  -9.475
  276   3HD2  LEU  34          3HD2      LEU  34 -12.364 -10.068  -7.797
  277    H    CYS  35           H        CYS  35  -9.941 -11.864  -3.765
  278    HA   CYS  35           HA       CYS  35  -7.897 -13.978  -4.074
  279   1HB   CYS  35          1HB       CYS  35  -7.426 -11.312  -2.716
  280   2HB   CYS  35          2HB       CYS  35  -6.247 -12.603  -2.946
  281    H    SER  36           H        SER  36  -7.005 -14.674  -1.941
  282    HA   SER  36           HA       SER  36  -9.079 -15.453  -0.193
  283   1HB   SER  36          1HB       SER  36  -6.115 -15.346   0.408
  284   2HB   SER  36          2HB       SER  36  -7.322 -16.307   1.257
  285    HG   SER  36           HG       SER  36  -5.996 -16.842  -1.026
  286    H    LYS  37           H        LYS  37  -6.855 -12.746  -0.173
  287    HA   LYS  37           HA       LYS  37  -8.490 -11.320   1.724
  288   1HB   LYS  37          1HB       LYS  37  -6.640 -10.954   3.365
  289   2HB   LYS  37          2HB       LYS  37  -7.223 -12.618   3.334
  290   1HG   LYS  37          1HG       LYS  37  -5.305 -12.882   1.505
  291   2HG   LYS  37          2HG       LYS  37  -4.624 -11.500   2.364
  292   1HD   LYS  37          1HD       LYS  37  -5.041 -12.845   4.516
  293   2HD   LYS  37          2HD       LYS  37  -5.279 -14.237   3.459
  294   1HE   LYS  37          1HE       LYS  37  -2.985 -13.349   2.408
  295   2HE   LYS  37          2HE       LYS  37  -2.788 -12.695   4.034
  296   1HZ   LYS  37          1HZ       LYS  37  -3.636 -15.490   3.677
  297   2HZ   LYS  37          2HZ       LYS  37  -1.997 -15.087   3.511
  298   3HZ   LYS  37          3HZ       LYS  37  -2.804 -14.775   4.974
  299    HA   PRO  38           HA       PRO  38  -6.026  -8.714  -1.183
  300   1HB   PRO  38          1HB       PRO  38  -8.145  -7.460  -2.365
  301   2HB   PRO  38          2HB       PRO  38  -7.485  -9.007  -2.916
  302   1HG   PRO  38          1HG       PRO  38 -10.007  -8.449  -1.481
  303   2HG   PRO  38          2HG       PRO  38  -9.581  -9.814  -2.523
  304   1HD   PRO  38          1HD       PRO  38  -9.639  -9.791   0.330
  305   2HD   PRO  38          2HD       PRO  38  -9.038 -11.097  -0.718
  306    H    GLY  39           H        GLY  39  -6.426  -6.209  -1.641
  307   1HA   GLY  39          1HA       GLY  39  -6.117  -4.821   0.768
  308   2HA   GLY  39          2HA       GLY  39  -7.795  -4.629   0.267
  309    H    VAL  40           H        VAL  40  -4.959  -3.096   0.217
  310    HA   VAL  40           HA       VAL  40  -5.076  -2.138  -2.551
  311    HB   VAL  40           HB       VAL  40  -5.283  -0.224  -0.214
  312   1HG1  VAL  40          1HG1      VAL  40  -4.228   0.236  -2.671
  313   2HG1  VAL  40          2HG1      VAL  40  -5.927   0.568  -2.996
  314   3HG1  VAL  40          3HG1      VAL  40  -5.079   1.460  -1.735
  315   1HG2  VAL  40          1HG2      VAL  40  -7.361  -1.252  -2.160
  316   2HG2  VAL  40          2HG2      VAL  40  -7.400  -1.348  -0.400
  317   3HG2  VAL  40          3HG2      VAL  40  -7.576   0.212  -1.201
  318    H    ILE  41           H        ILE  41  -3.151  -1.478  -3.315
  319    HA   ILE  41           HA       ILE  41  -0.854  -1.705  -1.499
  320    HB   ILE  41           HB       ILE  41  -1.102  -1.779  -4.517
  321   1HG1  ILE  41          1HG1      ILE  41   0.019  -4.035  -4.057
  322   2HG1  ILE  41          2HG1      ILE  41  -0.343  -3.747  -2.356
  323   1HG2  ILE  41          1HG2      ILE  41   0.971  -0.545  -3.867
  324   2HG2  ILE  41          2HG2      ILE  41   1.445  -1.918  -2.866
  325   3HG2  ILE  41          3HG2      ILE  41   1.326  -2.102  -4.616
  326   1HD1  ILE  41          1HD1      ILE  41  -2.525  -3.478  -4.405
  327   2HD1  ILE  41          2HD1      ILE  41  -2.063  -5.078  -3.823
  328   3HD1  ILE  41          3HD1      ILE  41  -2.654  -3.864  -2.688
  329    H    PHE  42           H        PHE  42   0.579  -0.053  -1.180
  330    HA   PHE  42           HA       PHE  42  -0.321   2.613  -2.071
  331   1HB   PHE  42          1HB       PHE  42   1.145   1.604   0.334
  332   2HB   PHE  42          2HB       PHE  42   1.467   3.246  -0.220
  333    HD1  PHE  42           HD1      PHE  42  -1.116   0.938   1.062
  334    HD2  PHE  42           HD2      PHE  42  -0.220   4.976  -0.097
  335    HE1  PHE  42           HE1      PHE  42  -3.226   1.711   2.112
  336    HE2  PHE  42           HE2      PHE  42  -2.328   5.747   0.954
  337    HZ   PHE  42           HZ       PHE  42  -3.829   4.116   2.064
  338    H    LEU  43           H        LEU  43   0.829   3.658  -3.559
  339    HA   LEU  43           HA       LEU  43   3.515   2.643  -4.231
  340   1HB   LEU  43          1HB       LEU  43   1.785   4.574  -5.770
  341   2HB   LEU  43          2HB       LEU  43   3.270   3.833  -6.323
  342    HG   LEU  43           HG       LEU  43   1.044   2.006  -5.556
  343   1HD1  LEU  43          1HD1      LEU  43   1.080   3.740  -8.043
  344   2HD1  LEU  43          2HD1      LEU  43   0.103   2.281  -7.882
  345   3HD1  LEU  43          3HD1      LEU  43  -0.188   3.659  -6.821
  346   1HD2  LEU  43          1HD2      LEU  43   3.417   1.439  -6.463
  347   2HD2  LEU  43          2HD2      LEU  43   2.034   0.610  -7.179
  348   3HD2  LEU  43          3HD2      LEU  43   2.783   1.968  -8.020
  349    H    THR  44           H        THR  44   5.028   3.659  -3.018
  350    HA   THR  44           HA       THR  44   4.711   6.329  -2.057
  351    HB   THR  44           HB       THR  44   7.028   6.130  -1.309
  352    HG1  THR  44           HG1      THR  44   7.015   3.746  -2.844
  353   1HG2  THR  44          1HG2      THR  44   5.038   3.985  -0.877
  354   2HG2  THR  44          2HG2      THR  44   6.687   3.587  -0.398
  355   3HG2  THR  44          3HG2      THR  44   5.883   4.993   0.298
  356    H    LYS  45           H        LYS  45   6.448   8.016  -2.535
  357    HA   LYS  45           HA       LYS  45   6.242   8.833  -5.216
  358   1HB   LYS  45          1HB       LYS  45   7.950   9.695  -2.905
  359   2HB   LYS  45          2HB       LYS  45   8.257  10.349  -4.514
  360   1HG   LYS  45          1HG       LYS  45   6.273  11.509  -4.574
  361   2HG   LYS  45          2HG       LYS  45   5.425  10.313  -3.594
  362   1HD   LYS  45          1HD       LYS  45   5.611  11.903  -1.965
  363   2HD   LYS  45          2HD       LYS  45   7.230  11.227  -1.779
  364   1HE   LYS  45          1HE       LYS  45   8.084  12.908  -3.411
  365   2HE   LYS  45          2HE       LYS  45   6.472  13.620  -3.482
  366   1HZ   LYS  45          1HZ       LYS  45   6.597  14.011  -1.090
  367   2HZ   LYS  45          2HZ       LYS  45   8.171  13.372  -1.058
  368   3HZ   LYS  45          3HZ       LYS  45   7.850  14.804  -1.913
  369    H    ARG  46           H        ARG  46   9.106   7.616  -3.470
  370    HA   ARG  46           HA       ARG  46  10.128   6.578  -6.045
  371   1HB   ARG  46          1HB       ARG  46  11.265   8.713  -5.335
  372   2HB   ARG  46          2HB       ARG  46  11.848   7.840  -3.917
  373   1HG   ARG  46          1HG       ARG  46  13.190   6.399  -5.195
  374   2HG   ARG  46          2HG       ARG  46  12.283   6.716  -6.675
  375   1HD   ARG  46          1HD       ARG  46  13.315   8.772  -7.031
  376   2HD   ARG  46          2HD       ARG  46  13.719   8.978  -5.330
  377    HE   ARG  46           HE       ARG  46  15.353   7.737  -7.309
  378   1HH1  ARG  46          1HH1      ARG  46  14.409   7.486  -3.947
  379   2HH1  ARG  46          2HH1      ARG  46  15.886   6.721  -3.472
  380   1HH2  ARG  46          1HH2      ARG  46  17.263   6.737  -6.647
  381   2HH2  ARG  46          2HH2      ARG  46  17.489   6.299  -4.986
  382    H    GLY  47           H        GLY  47   9.094   5.704  -3.037
  383   1HA   GLY  47          1HA       GLY  47   9.601   4.006  -1.556
  384   2HA   GLY  47          2HA       GLY  47  11.195   3.886  -2.294
  385    H    ARG  48           H        ARG  48   8.217   2.411  -1.920
  386    HA   ARG  48           HA       ARG  48   8.267   0.908  -4.420
  387   1HB   ARG  48          1HB       ARG  48   9.345  -0.140  -1.873
  388   2HB   ARG  48          2HB       ARG  48   8.223  -1.213  -2.707
  389   1HG   ARG  48          1HG       ARG  48   9.686  -0.503  -4.822
  390   2HG   ARG  48          2HG       ARG  48  10.905  -0.228  -3.578
  391   1HD   ARG  48          1HD       ARG  48  11.305  -2.458  -3.932
  392   2HD   ARG  48          2HD       ARG  48  10.010  -2.618  -2.750
  393    HE   ARG  48           HE       ARG  48   8.653  -3.466  -4.429
  394   1HH1  ARG  48          1HH1      ARG  48  11.422  -1.869  -5.857
  395   2HH1  ARG  48          2HH1      ARG  48  11.049  -2.407  -7.458
  396   1HH2  ARG  48          1HH2      ARG  48   8.203  -4.145  -6.533
  397   2HH2  ARG  48          2HH2      ARG  48   9.244  -3.684  -7.840
  398    H    GLN  49           H        GLN  49   6.662  -1.148  -3.904
  399    HA   GLN  49           HA       GLN  49   4.129   0.136  -3.257
  400   1HB   GLN  49          1HB       GLN  49   4.944  -2.444  -4.549
  401   2HB   GLN  49          2HB       GLN  49   3.312  -2.268  -3.905
  402   1HG   GLN  49          1HG       GLN  49   2.739  -0.612  -5.426
  403   2HG   GLN  49          2HG       GLN  49   4.409  -0.084  -5.634
  404   2HE2  GLN  49          2HE2      GLN  49   5.764  -2.351  -6.369
  405   1HE2  GLN  49          1HE2      GLN  49   5.106  -3.022  -7.782
  406    H    VAL  50           H        VAL  50   2.623  -0.768  -1.739
  407    HA   VAL  50           HA       VAL  50   3.631  -2.740   0.169
  408    HB   VAL  50           HB       VAL  50   2.828   0.046   1.049
  409   1HG1  VAL  50          1HG1      VAL  50   3.316  -2.539   2.470
  410   2HG1  VAL  50          2HG1      VAL  50   3.897  -1.060   3.236
  411   3HG1  VAL  50          3HG1      VAL  50   2.185  -1.241   2.857
  412   1HG2  VAL  50          1HG2      VAL  50   5.493  -1.389   0.944
  413   2HG2  VAL  50          2HG2      VAL  50   5.054   0.115   0.134
  414   3HG2  VAL  50          3HG2      VAL  50   5.217   0.074   1.890
  415    H    CYS  51           H        CYS  51   2.033  -4.098   0.592
  416    HA   CYS  51           HA       CYS  51  -0.693  -3.537  -0.131
  417   1HB   CYS  51          1HB       CYS  51   0.770  -5.841   1.096
  418   2HB   CYS  51          2HB       CYS  51  -0.982  -5.763   1.286
  419    H    ALA  52           H        ALA  52  -2.126  -2.458   1.085
  420    HA   ALA  52           HA       ALA  52  -1.906  -2.642   4.017
  421   1HB   ALA  52          1HB       ALA  52  -0.779  -0.536   3.175
  422   2HB   ALA  52          2HB       ALA  52  -2.365  -0.012   2.612
  423   3HB   ALA  52          3HB       ALA  52  -2.087  -0.284   4.332
  424    H    ASP  53           H        ASP  53  -3.797  -2.878   5.017
  425    HA   ASP  53           HA       ASP  53  -6.237  -2.821   3.388
  426   1HB   ASP  53          1HB       ASP  53  -5.374  -4.206   5.863
  427   2HB   ASP  53          2HB       ASP  53  -7.067  -3.714   5.813
  428    H    LYS  54           H        LYS  54  -7.806  -1.345   3.635
  429    HA   LYS  54           HA       LYS  54  -7.354   1.087   4.945
  430   1HB   LYS  54          1HB       LYS  54  -9.767   1.532   4.564
  431   2HB   LYS  54          2HB       LYS  54  -8.957   0.918   3.125
  432   1HG   LYS  54          1HG       LYS  54 -10.078  -1.181   4.875
  433   2HG   LYS  54          2HG       LYS  54 -11.283  -0.115   4.153
  434   1HD   LYS  54          1HD       LYS  54  -9.701  -0.565   1.994
  435   2HD   LYS  54          2HD       LYS  54  -9.485  -2.089   2.858
  436   1HE   LYS  54          1HE       LYS  54 -12.268  -1.052   2.647
  437   2HE   LYS  54          2HE       LYS  54 -11.538  -1.677   1.168
  438   1HZ   LYS  54          1HZ       LYS  54 -10.986  -3.716   2.369
  439   2HZ   LYS  54          2HZ       LYS  54 -11.758  -3.115   3.758
  440   3HZ   LYS  54          3HZ       LYS  54 -12.661  -3.432   2.357
  441    H    SER  55           H        SER  55  -8.542  -1.918   6.194
  442    HA   SER  55           HA       SER  55 -10.124  -1.089   8.336
  443   1HB   SER  55          1HB       SER  55  -8.534  -3.489   7.694
  444   2HB   SER  55          2HB       SER  55  -8.874  -3.245   9.404
  445    HG   SER  55           HG       SER  55 -10.486  -4.407   8.016
  446    H    LYS  56           H        LYS  56  -6.651  -1.027   7.935
  447    HA   LYS  56           HA       LYS  56  -5.885  -0.740  10.636
  448   1HB   LYS  56          1HB       LYS  56  -4.568   0.412   8.163
  449   2HB   LYS  56          2HB       LYS  56  -3.815   0.257   9.750
  450   1HG   LYS  56          1HG       LYS  56  -5.029  -2.189   8.534
  451   2HG   LYS  56          2HG       LYS  56  -3.491  -1.618   7.885
  452   1HD   LYS  56          1HD       LYS  56  -2.583  -1.582  10.223
  453   2HD   LYS  56          2HD       LYS  56  -4.091  -2.314  10.774
  454   1HE   LYS  56          1HE       LYS  56  -3.700  -4.233   9.253
  455   2HE   LYS  56          2HE       LYS  56  -2.171  -3.511   8.753
  456   1HZ   LYS  56          1HZ       LYS  56  -2.854  -4.224  11.552
  457   2HZ   LYS  56          2HZ       LYS  56  -1.922  -5.193  10.513
  458   3HZ   LYS  56          3HZ       LYS  56  -1.357  -3.662  10.985
  459    H    ASP  57           H        ASP  57  -4.591   1.504  11.108
  460    HA   ASP  57           HA       ASP  57  -6.706   3.561  11.038
  461   1HB   ASP  57          1HB       ASP  57  -5.429   4.583  12.945
  462   2HB   ASP  57          2HB       ASP  57  -6.080   2.982  13.294
  463    H    TRP  58           H        TRP  58  -3.206   3.108  10.638
  464    HA   TRP  58           HA       TRP  58  -2.795   5.808   9.746
  465   1HB   TRP  58          1HB       TRP  58  -0.522   5.047   9.126
  466   2HB   TRP  58          2HB       TRP  58  -0.941   4.646  10.788
  467    HD1  TRP  58           HD1      TRP  58  -1.379   2.088  11.374
  468    HE1  TRP  58           HE1      TRP  58  -0.653  -0.083  10.192
  469    HE3  TRP  58           HE3      TRP  58  -0.111   3.956   6.798
  470    HZ2  TRP  58           HZ2      TRP  58   0.336  -0.923   7.628
  471    HZ3  TRP  58           HZ3      TRP  58   0.724   2.458   5.011
  472    HH2  TRP  58           HH2      TRP  58   0.946   0.026   5.421
  473    H    VAL  59           H        VAL  59  -3.690   2.813   8.242
  474    HA   VAL  59           HA       VAL  59  -2.981   3.583   5.564
  475    HB   VAL  59           HB       VAL  59  -4.958   1.484   6.489
  476   1HG1  VAL  59          1HG1      VAL  59  -3.880   2.348   3.867
  477   2HG1  VAL  59          2HG1      VAL  59  -3.865   0.606   4.146
  478   3HG1  VAL  59          3HG1      VAL  59  -5.381   1.501   4.243
  479   1HG2  VAL  59          1HG2      VAL  59  -1.986   1.327   5.894
  480   2HG2  VAL  59          2HG2      VAL  59  -2.752   1.087   7.464
  481   3HG2  VAL  59          3HG2      VAL  59  -3.028  -0.070   6.162
  482    H    LYS  60           H        LYS  60  -5.782   3.875   7.649
  483    HA   LYS  60           HA       LYS  60  -7.654   4.635   5.645
  484   1HB   LYS  60          1HB       LYS  60  -8.111   3.880   8.071
  485   2HB   LYS  60          2HB       LYS  60  -7.773   5.553   8.511
  486   1HG   LYS  60          1HG       LYS  60  -9.508   6.307   6.900
  487   2HG   LYS  60          2HG       LYS  60  -9.879   4.621   6.537
  488   1HD   LYS  60          1HD       LYS  60 -10.275   4.330   9.056
  489   2HD   LYS  60          2HD       LYS  60 -10.266   6.091   9.149
  490   1HE   LYS  60          1HE       LYS  60 -11.970   5.803   7.095
  491   2HE   LYS  60          2HE       LYS  60 -12.271   4.268   7.910
  492   1HZ   LYS  60          1HZ       LYS  60 -12.595   5.548   9.984
  493   2HZ   LYS  60          2HZ       LYS  60 -12.471   6.984   9.090
  494   3HZ   LYS  60          3HZ       LYS  60 -13.747   5.904   8.787
  495    H    LYS  61           H        LYS  61  -5.503   6.454   7.793
  496    HA   LYS  61           HA       LYS  61  -6.395   9.042   7.107
  497   1HB   LYS  61          1HB       LYS  61  -3.914   7.911   8.320
  498   2HB   LYS  61          2HB       LYS  61  -3.858   9.568   7.715
  499   1HG   LYS  61          1HG       LYS  61  -4.564   9.832   9.947
  500   2HG   LYS  61          2HG       LYS  61  -6.072   9.894   9.033
  501   1HD   LYS  61          1HD       LYS  61  -6.233   7.365   9.423
  502   2HD   LYS  61          2HD       LYS  61  -4.950   7.576  10.616
  503   1HE   LYS  61          1HE       LYS  61  -7.585   9.076  10.635
  504   2HE   LYS  61          2HE       LYS  61  -7.220   7.673  11.640
  505   1HZ   LYS  61          1HZ       LYS  61  -5.322   8.923  12.551
  506   2HZ   LYS  61          2HZ       LYS  61  -5.808  10.284  11.663
  507   3HZ   LYS  61          3HZ       LYS  61  -6.815   9.665  12.882
  508    H    LEU  62           H        LEU  62  -3.880   6.969   5.708
  509    HA   LEU  62           HA       LEU  62  -2.845   8.825   3.856
  510   1HB   LEU  62          1HB       LEU  62  -3.066   5.830   3.622
  511   2HB   LEU  62          2HB       LEU  62  -2.097   6.849   2.583
  512    HG   LEU  62           HG       LEU  62  -1.622   6.886   5.541
  513   1HD1  LEU  62          1HD1      LEU  62  -1.141   4.653   3.642
  514   2HD1  LEU  62          2HD1      LEU  62   0.214   5.090   4.682
  515   3HD1  LEU  62          3HD1      LEU  62  -1.329   4.624   5.394
  516   1HD2  LEU  62          1HD2      LEU  62  -0.225   7.633   3.018
  517   2HD2  LEU  62          2HD2      LEU  62  -0.212   8.436   4.588
  518   3HD2  LEU  62          3HD2      LEU  62   0.783   7.005   4.322
  519    H    MET  63           H        MET  63  -5.436   6.437   3.595
  520    HA   MET  63           HA       MET  63  -6.106   6.697   0.911
  521   1HB   MET  63          1HB       MET  63  -7.814   6.156   3.335
  522   2HB   MET  63          2HB       MET  63  -8.482   6.166   1.704
  523   1HG   MET  63          1HG       MET  63  -6.350   4.585   1.268
  524   2HG   MET  63          2HG       MET  63  -6.608   4.229   2.975
  525   1HE   MET  63          1HE       MET  63  -7.149   3.746  -0.358
  526   2HE   MET  63          2HE       MET  63  -7.336   2.045   0.091
  527   3HE   MET  63          3HE       MET  63  -8.665   2.908  -0.680
  528    H    GLN  64           H        GLN  64  -7.019   8.725   3.644
  529    HA   GLN  64           HA       GLN  64  -8.720  10.430   2.021
  530   1HB   GLN  64          1HB       GLN  64  -8.802   9.881   4.635
  531   2HB   GLN  64          2HB       GLN  64  -7.767  11.309   4.702
  532   1HG   GLN  64          1HG       GLN  64  -9.422  12.718   3.916
  533   2HG   GLN  64          2HG       GLN  64 -10.220  11.439   3.000
  534   2HE2  GLN  64          2HE2      GLN  64 -11.690  10.004   4.160
  535   1HE2  GLN  64          1HE2      GLN  64 -12.261  10.394   5.710
  536    H    GLN  65           H        GLN  65  -5.441  10.403   3.253
  537    HA   GLN  65           HA       GLN  65  -4.857  13.148   2.709
  538   1HB   GLN  65          1HB       GLN  65  -3.262  10.716   3.383
  539   2HB   GLN  65          2HB       GLN  65  -2.422  12.112   2.710
  540   1HG   GLN  65          1HG       GLN  65  -4.368  12.766   4.837
  541   2HG   GLN  65          2HG       GLN  65  -3.003  11.790   5.372
  542   2HE2  GLN  65          2HE2      GLN  65  -3.857  14.887   3.821
  543   1HE2  GLN  65          1HE2      GLN  65  -2.370  15.641   4.138
  544    H    LEU  66           H        LEU  66  -4.539  10.136   0.904
  545    HA   LEU  66           HA       LEU  66  -3.519  11.656  -1.416
  546   1HB   LEU  66          1HB       LEU  66  -3.610   8.667  -1.234
  547   2HB   LEU  66          2HB       LEU  66  -2.598   9.674  -2.247
  548    HG   LEU  66           HG       LEU  66  -2.324   9.265   0.740
  549   1HD1  LEU  66          1HD1      LEU  66  -1.524   7.588  -1.215
  550   2HD1  LEU  66          2HD1      LEU  66  -0.154   8.697  -1.216
  551   3HD1  LEU  66          3HD1      LEU  66  -0.591   7.837   0.260
  552   1HD2  LEU  66          1HD2      LEU  66  -1.192  11.266  -1.155
  553   2HD2  LEU  66          2HD2      LEU  66  -1.506  11.408   0.575
  554   3HD2  LEU  66          3HD2      LEU  66  -0.072  10.553   0.005
  555    HA   PRO  67           HA       PRO  67  -7.422  10.965  -3.358
  556   1HB   PRO  67          1HB       PRO  67  -6.707  11.268  -5.985
  557   2HB   PRO  67          2HB       PRO  67  -6.871  12.610  -4.844
  558   1HG   PRO  67          1HG       PRO  67  -4.417  11.380  -5.953
  559   2HG   PRO  67          2HG       PRO  67  -4.682  13.021  -5.346
  560   1HD   PRO  67          1HD       PRO  67  -3.393  10.908  -3.962
  561   2HD   PRO  67          2HD       PRO  67  -3.912  12.462  -3.270
  562    H    VAL  68           H        VAL  68  -5.316   9.618  -5.874
  563    HA   VAL  68           HA       VAL  68  -5.497   6.905  -5.315
  564    HB   VAL  68           HB       VAL  68  -7.981   8.028  -6.469
  565   1HG1  VAL  68          1HG1      VAL  68  -7.057   7.011  -8.538
  566   2HG1  VAL  68          2HG1      VAL  68  -6.857   5.482  -7.680
  567   3HG1  VAL  68          3HG1      VAL  68  -8.472   6.137  -7.950
  568   1HG2  VAL  68          1HG2      VAL  68  -7.084   5.897  -4.674
  569   2HG2  VAL  68          2HG2      VAL  68  -8.607   6.783  -4.695
  570   3HG2  VAL  68          3HG2      VAL  68  -8.392   5.376  -5.734
  571    H    THR  69           H        THR  69  -4.910   5.571  -7.237
  572    HA   THR  69           HA       THR  69  -2.829   6.821  -8.707
  573    HB   THR  69           HB       THR  69  -3.177   4.563 -10.107
  574    HG1  THR  69           HG1      THR  69  -4.308   3.095  -9.022
  575   1HG2  THR  69          1HG2      THR  69  -1.410   5.400  -8.294
  576   2HG2  THR  69          2HG2      THR  69  -2.217   4.181  -7.307
  577   3HG2  THR  69          3HG2      THR  69  -1.454   3.720  -8.828
  578    H    ALA  70           H        ALA  70  -2.722   7.562 -10.775
  579    HA   ALA  70           HA       ALA  70  -4.728   7.130 -12.749
  580   1HB   ALA  70          1HB       ALA  70  -5.687   9.369 -12.859
  581   2HB   ALA  70          2HB       ALA  70  -6.002   8.666 -11.272
  582   3HB   ALA  70          3HB       ALA  70  -4.729   9.873 -11.466
  583    H    ARG  71           H        ARG  71  -4.413   8.715 -14.625
  584    HA   ARG  71           HA       ARG  71  -1.757   9.923 -14.746
  585   1HB   ARG  71          1HB       ARG  71  -2.582   7.563 -16.442
  586   2HB   ARG  71          2HB       ARG  71  -1.284   8.664 -16.905
  587   1HG   ARG  71          1HG       ARG  71  -0.122   8.185 -14.777
  588   2HG   ARG  71          2HG       ARG  71  -1.413   7.070 -14.327
  589   1HD   ARG  71          1HD       ARG  71  -0.756   5.474 -15.850
  590   2HD   ARG  71          2HD       ARG  71  -0.116   6.661 -16.980
  591    HE   ARG  71           HE       ARG  71   1.514   6.714 -14.704
  592   1HH1  ARG  71          1HH1      ARG  71   0.631   4.478 -17.248
  593   2HH1  ARG  71          2HH1      ARG  71   2.144   3.640 -17.192
  594   1HH2  ARG  71          1HH2      ARG  71   3.472   5.594 -14.663
  595   2HH2  ARG  71          2HH2      ARG  71   3.738   4.265 -15.742

  No H/Q in entry =         595
  Start of MODEL    4
    1    H1   LEU   1           H1       LEU   1  -9.827  -1.983 -26.012
    2    H2   LEU   1           H2       LEU   1 -11.260  -2.427 -26.803
    3    H3   LEU   1           H3       LEU   1  -9.825  -2.233 -27.692
    4    HA   LEU   1           HA       LEU   1  -9.814   0.090 -27.395
    5   1HB   LEU   1          1HB       LEU   1 -11.728  -1.195 -28.835
    6   2HB   LEU   1          2HB       LEU   1 -12.746  -0.244 -27.755
    7    HG   LEU   1           HG       LEU   1 -12.279   1.010 -29.816
    8   1HD1  LEU   1          1HD1      LEU   1 -12.428   2.175 -27.569
    9   2HD1  LEU   1          2HD1      LEU   1 -10.664   2.208 -27.552
   10   3HD1  LEU   1          3HD1      LEU   1 -11.551   3.066 -28.812
   11   1HD2  LEU   1          1HD2      LEU   1  -9.916  -0.218 -29.931
   12   2HD2  LEU   1          2HD2      LEU   1 -10.160   1.359 -30.681
   13   3HD2  LEU   1          3HD2      LEU   1  -9.382   1.244 -29.102
   14    H    GLY   2           H        GLY   2  -9.673   1.387 -25.689
   15   1HA   GLY   2          1HA       GLY   2 -11.892   2.209 -24.151
   16   2HA   GLY   2          2HA       GLY   2 -10.205   2.533 -23.761
   17    H    ALA   3           H        ALA   3  -9.299   1.482 -22.089
   18    HA   ALA   3           HA       ALA   3 -10.962  -0.469 -20.650
   19   1HB   ALA   3          1HB       ALA   3  -9.315  -2.120 -20.505
   20   2HB   ALA   3          2HB       ALA   3  -8.024  -1.009 -20.961
   21   3HB   ALA   3          3HB       ALA   3  -9.165  -1.580 -22.178
   22    H    SER   4           H        SER   4 -11.331   1.031 -19.038
   23    HA   SER   4           HA       SER   4  -9.343   2.648 -17.832
   24   1HB   SER   4          1HB       SER   4 -11.909   1.640 -16.586
   25   2HB   SER   4          2HB       SER   4 -10.961   3.030 -16.060
   26    HG   SER   4           HG       SER   4 -11.726   4.163 -17.679
   27    H    TRP   5           H        TRP   5 -10.450  -0.626 -17.246
   28    HA   TRP   5           HA       TRP   5  -8.616  -0.853 -14.946
   29   1HB   TRP   5          1HB       TRP   5  -9.797  -3.021 -14.529
   30   2HB   TRP   5          2HB       TRP   5 -10.856  -1.613 -14.440
   31    HD1  TRP   5           HD1      TRP   5 -12.687  -1.316 -16.297
   32    HE1  TRP   5           HE1      TRP   5 -13.610  -2.889 -18.119
   33    HE3  TRP   5           HE3      TRP   5  -9.121  -4.970 -16.198
   34    HZ2  TRP   5           HZ2      TRP   5 -12.927  -5.369 -19.370
   35    HZ3  TRP   5           HZ3      TRP   5  -9.281  -6.924 -17.714
   36    HH2  TRP   5           HH2      TRP   5 -11.178  -7.128 -19.298
   37    H    HIS   6           H        HIS   6  -7.007  -2.392 -14.888
   38    HA   HIS   6           HA       HIS   6  -6.305  -3.569 -17.507
   39   1HB   HIS   6          1HB       HIS   6  -4.692  -2.494 -15.236
   40   2HB   HIS   6          2HB       HIS   6  -4.016  -3.819 -16.184
   41    HD1  HIS   6           HD1      HIS   6  -6.037  -0.754 -17.244
   42    HD2  HIS   6           HD2      HIS   6  -2.408  -2.626 -18.082
   43    HE1  HIS   6           HE1      HIS   6  -4.966   0.569 -19.119
   44    H    ARG   7           H        ARG   7  -4.662  -5.527 -16.993
   45    HA   ARG   7           HA       ARG   7  -6.254  -7.673 -16.140
   46   1HB   ARG   7          1HB       ARG   7  -3.281  -7.386 -16.541
   47   2HB   ARG   7          2HB       ARG   7  -4.011  -8.908 -16.029
   48   1HG   ARG   7          1HG       ARG   7  -5.572  -8.686 -18.035
   49   2HG   ARG   7          2HG       ARG   7  -4.522  -7.381 -18.589
   50   1HD   ARG   7          1HD       ARG   7  -2.625  -9.186 -18.129
   51   2HD   ARG   7          2HD       ARG   7  -3.958 -10.310 -18.374
   52    HE   ARG   7           HE       ARG   7  -3.809  -9.846 -20.629
   53   1HH1  ARG   7          1HH1      ARG   7  -2.485  -7.148 -18.834
   54   2HH1  ARG   7          2HH1      ARG   7  -2.009  -6.289 -20.258
   55   1HH2  ARG   7          1HH2      ARG   7  -3.171  -8.693 -22.458
   56   2HH2  ARG   7          2HH2      ARG   7  -2.392  -7.154 -22.292
   57    HA   PRO   8           HA       PRO   8  -5.488  -6.905 -11.730
   58   1HB   PRO   8          1HB       PRO   8  -7.596  -8.371 -10.801
   59   2HB   PRO   8          2HB       PRO   8  -7.743  -6.714 -11.408
   60   1HG   PRO   8          1HG       PRO   8  -8.587  -9.252 -12.665
   61   2HG   PRO   8          2HG       PRO   8  -9.198  -7.611 -12.917
   62   1HD   PRO   8          1HD       PRO   8  -7.405  -9.043 -14.607
   63   2HD   PRO   8          2HD       PRO   8  -7.865  -7.331 -14.745
   64    H    ASP   9           H        ASP   9  -3.652  -8.048 -11.238
   65    HA   ASP   9           HA       ASP   9  -3.941 -10.666 -10.097
   66   1HB   ASP   9          1HB       ASP   9  -2.790 -10.365 -12.830
   67   2HB   ASP   9          2HB       ASP   9  -1.989 -11.478 -11.721
   68    H    LYS  10           H        LYS  10  -3.135  -9.337  -8.360
   69    HA   LYS  10           HA       LYS  10  -0.357  -9.617  -7.931
   70   1HB   LYS  10          1HB       LYS  10  -0.702  -7.526  -9.576
   71   2HB   LYS  10          2HB       LYS  10  -0.964  -6.708  -8.035
   72   1HG   LYS  10          1HG       LYS  10   1.188  -7.694  -7.208
   73   2HG   LYS  10          2HG       LYS  10   1.465  -8.340  -8.825
   74   1HD   LYS  10          1HD       LYS  10   1.373  -6.052  -9.756
   75   2HD   LYS  10          2HD       LYS  10   1.117  -5.408  -8.134
   76   1HE   LYS  10          1HE       LYS  10   3.285  -5.970  -7.430
   77   2HE   LYS  10          2HE       LYS  10   3.495  -7.159  -8.716
   78   1HZ   LYS  10          1HZ       LYS  10   3.245  -5.134 -10.255
   79   2HZ   LYS  10          2HZ       LYS  10   3.618  -4.219  -8.873
   80   3HZ   LYS  10          3HZ       LYS  10   4.724  -5.366  -9.453
   81    H    CYS  11           H        CYS  11  -2.788 -10.175  -6.582
   82    HA   CYS  11           HA       CYS  11  -3.431  -8.326  -4.551
   83   1HB   CYS  11          1HB       CYS  11  -3.584 -11.347  -4.415
   84   2HB   CYS  11          2HB       CYS  11  -4.456 -10.209  -3.389
   85    H    CYS  12           H        CYS  12  -3.163  -9.353  -2.132
   86    HA   CYS  12           HA       CYS  12  -0.257  -9.764  -1.739
   87   1HB   CYS  12          1HB       CYS  12  -2.073  -8.116   0.037
   88   2HB   CYS  12          2HB       CYS  12  -0.339  -8.354   0.236
   89    H    LEU  13           H        LEU  13   0.352 -11.096  -0.044
   90    HA   LEU  13           HA       LEU  13  -1.765 -12.883   0.947
   91   1HB   LEU  13          1HB       LEU  13   1.196 -13.083   0.644
   92   2HB   LEU  13          2HB       LEU  13   0.393 -14.090   1.827
   93    HG   LEU  13           HG       LEU  13  -0.494 -14.049  -1.053
   94   1HD1  LEU  13          1HD1      LEU  13   2.010 -14.585  -0.726
   95   2HD1  LEU  13          2HD1      LEU  13   1.460 -16.039   0.107
   96   3HD1  LEU  13          3HD1      LEU  13   1.037 -15.779  -1.586
   97   1HD2  LEU  13          1HD2      LEU  13  -1.853 -15.071   0.886
   98   2HD2  LEU  13          2HD2      LEU  13  -1.531 -16.115  -0.498
   99   3HD2  LEU  13          3HD2      LEU  13  -0.580 -16.288   0.977
  100    H    GLY  14           H        GLY  14  -0.983 -10.086   1.977
  101   1HA   GLY  14          1HA       GLY  14   0.180 -10.337   4.541
  102   2HA   GLY  14          2HA       GLY  14  -1.576 -10.424   4.678
  103    H    TYR  15           H        TYR  15   0.155  -8.325   5.689
  104    HA   TYR  15           HA       TYR  15  -0.191  -6.054   3.908
  105   1HB   TYR  15          1HB       TYR  15  -1.774  -6.284   6.473
  106   2HB   TYR  15          2HB       TYR  15  -1.554  -4.784   5.574
  107    HD1  TYR  15           HD1      TYR  15  -2.415  -4.587   3.239
  108    HD2  TYR  15           HD2      TYR  15  -3.306  -7.976   5.718
  109    HE1  TYR  15           HE1      TYR  15  -4.277  -5.198   1.725
  110    HE2  TYR  15           HE2      TYR  15  -5.169  -8.594   4.201
  111    HH   TYR  15           HH       TYR  15  -5.505  -7.705   1.247
  112    H    GLN  16           H        GLN  16   0.514  -4.007   5.005
  113    HA   GLN  16           HA       GLN  16   3.061  -4.453   6.246
  114   1HB   GLN  16          1HB       GLN  16   2.225  -2.443   4.737
  115   2HB   GLN  16          2HB       GLN  16   1.743  -1.763   6.281
  116   1HG   GLN  16          1HG       GLN  16   4.020  -1.038   5.651
  117   2HG   GLN  16          2HG       GLN  16   4.034  -1.993   7.127
  118   2HE2  GLN  16          2HE2      GLN  16   3.653  -3.528   3.931
  119   1HE2  GLN  16          1HE2      GLN  16   5.172  -4.278   3.934
  120    H    LYS  17           H        LYS  17   3.353  -4.924   8.309
  121    HA   LYS  17           HA       LYS  17   1.293  -4.444  10.273
  122   1HB   LYS  17          1HB       LYS  17   2.944  -5.430  11.864
  123   2HB   LYS  17          2HB       LYS  17   2.625  -6.462  10.470
  124   1HG   LYS  17          1HG       LYS  17   4.686  -5.923   9.450
  125   2HG   LYS  17          2HG       LYS  17   4.913  -4.497  10.462
  126   1HD   LYS  17          1HD       LYS  17   6.351  -6.013  11.491
  127   2HD   LYS  17          2HD       LYS  17   4.876  -6.244  12.432
  128   1HE   LYS  17          1HE       LYS  17   4.293  -8.216  11.199
  129   2HE   LYS  17          2HE       LYS  17   5.543  -7.908   9.994
  130   1HZ   LYS  17          1HZ       LYS  17   7.201  -8.154  11.786
  131   2HZ   LYS  17          2HZ       LYS  17   5.955  -8.605  12.849
  132   3HZ   LYS  17          3HZ       LYS  17   6.318  -9.572  11.500
  133    H    ARG  18           H        ARG  18   3.849  -2.578   9.005
  134    HA   ARG  18           HA       ARG  18   3.886  -0.892  11.433
  135   1HB   ARG  18          1HB       ARG  18   5.978  -1.558   9.408
  136   2HB   ARG  18          2HB       ARG  18   5.998   0.054  10.125
  137   1HG   ARG  18          1HG       ARG  18   5.653  -1.374  12.368
  138   2HG   ARG  18          2HG       ARG  18   6.481  -2.596  11.403
  139   1HD   ARG  18          1HD       ARG  18   7.534   0.221  11.623
  140   2HD   ARG  18          2HD       ARG  18   7.949  -1.012  12.810
  141    HE   ARG  18           HE       ARG  18   8.424  -1.969  10.167
  142   1HH1  ARG  18          1HH1      ARG  18   9.713   0.195  12.599
  143   2HH1  ARG  18          2HH1      ARG  18  11.338   0.052  12.026
  144   1HH2  ARG  18          1HH2      ARG  18  10.558  -2.127   9.454
  145   2HH2  ARG  18          2HH2      ARG  18  11.815  -1.251  10.261
  146    HA   PRO  19           HA       PRO  19   1.948   2.157   8.859
  147   1HB   PRO  19          1HB       PRO  19   2.298   4.346  10.458
  148   2HB   PRO  19          2HB       PRO  19   1.121   3.067  10.782
  149   1HG   PRO  19          1HG       PRO  19   3.662   3.656  12.153
  150   2HG   PRO  19          2HG       PRO  19   2.239   2.784  12.740
  151   1HD   PRO  19          1HD       PRO  19   4.690   1.648  11.803
  152   2HD   PRO  19          2HD       PRO  19   3.203   0.781  12.253
  153    H    LEU  20           H        LEU  20   2.532   3.406   7.169
  154    HA   LEU  20           HA       LEU  20   5.321   4.358   7.056
  155   1HB   LEU  20          1HB       LEU  20   3.535   4.410   4.677
  156   2HB   LEU  20          2HB       LEU  20   5.262   4.148   4.767
  157    HG   LEU  20           HG       LEU  20   3.086   2.147   5.413
  158   1HD1  LEU  20          1HD1      LEU  20   3.752   2.727   2.983
  159   2HD1  LEU  20          2HD1      LEU  20   5.286   1.942   3.358
  160   3HD1  LEU  20          3HD1      LEU  20   3.781   1.026   3.449
  161   1HD2  LEU  20          1HD2      LEU  20   6.008   2.228   6.012
  162   2HD2  LEU  20          2HD2      LEU  20   4.701   1.449   6.903
  163   3HD2  LEU  20          3HD2      LEU  20   5.345   0.696   5.445
  164    HA   PRO  21           HA       PRO  21   3.716   8.507   7.241
  165   1HB   PRO  21          1HB       PRO  21   5.988   9.858   6.545
  166   2HB   PRO  21          2HB       PRO  21   5.742   9.097   8.127
  167   1HG   PRO  21          1HG       PRO  21   7.479   8.252   5.893
  168   2HG   PRO  21          2HG       PRO  21   7.606   7.887   7.620
  169   1HD   PRO  21          1HD       PRO  21   6.588   6.174   5.571
  170   2HD   PRO  21          2HD       PRO  21   6.570   5.878   7.326
  171    H    GLN  22           H        GLN  22   2.694   9.912   5.880
  172    HA   GLN  22           HA       GLN  22   2.711   9.420   3.054
  173   1HB   GLN  22          1HB       GLN  22   0.756  10.279   4.484
  174   2HB   GLN  22          2HB       GLN  22   1.538  11.856   4.383
  175   1HG   GLN  22          1HG       GLN  22   1.254  10.389   1.817
  176   2HG   GLN  22          2HG       GLN  22  -0.246  10.968   2.543
  177   2HE2  GLN  22          2HE2      GLN  22   1.880  11.913   0.280
  178   1HE2  GLN  22          1HE2      GLN  22   1.877  13.593   0.522
  179    H    VAL  23           H        VAL  23   4.766  11.216   5.062
  180    HA   VAL  23           HA       VAL  23   5.325  13.544   3.679
  181    HB   VAL  23           HB       VAL  23   6.265  12.973   5.882
  182   1HG1  VAL  23          1HG1      VAL  23   6.852  10.551   4.859
  183   2HG1  VAL  23          2HG1      VAL  23   8.423  11.329   4.660
  184   3HG1  VAL  23          3HG1      VAL  23   7.689  11.218   6.260
  185   1HG2  VAL  23          1HG2      VAL  23   8.317  13.536   3.721
  186   2HG2  VAL  23          2HG2      VAL  23   7.371  14.731   4.609
  187   3HG2  VAL  23          3HG2      VAL  23   8.594  13.774   5.446
  188    H    LEU  24           H        LEU  24   6.048  10.263   2.761
  189    HA   LEU  24           HA       LEU  24   7.490  11.323   0.413
  190   1HB   LEU  24          1HB       LEU  24   9.128   9.685   0.479
  191   2HB   LEU  24          2HB       LEU  24   8.978  10.210   2.136
  192    HG   LEU  24           HG       LEU  24   9.212   7.895   2.305
  193   1HD1  LEU  24          1HD1      LEU  24   7.159   8.777   3.487
  194   2HD1  LEU  24          2HD1      LEU  24   6.205   8.167   2.136
  195   3HD1  LEU  24          3HD1      LEU  24   7.127   7.049   3.137
  196   1HD2  LEU  24          1HD2      LEU  24   8.669   7.751  -0.293
  197   2HD2  LEU  24          2HD2      LEU  24   8.540   6.331   0.745
  198   3HD2  LEU  24          3HD2      LEU  24   7.091   7.236   0.305
  199    H    LEU  25           H        LEU  25   4.737   9.763   1.354
  200    HA   LEU  25           HA       LEU  25   4.641   7.759  -0.730
  201   1HB   LEU  25          1HB       LEU  25   3.361   7.981   1.612
  202   2HB   LEU  25          2HB       LEU  25   2.177   8.754   0.587
  203    HG   LEU  25           HG       LEU  25   1.895   6.743  -0.713
  204   1HD1  LEU  25          1HD1      LEU  25   4.436   6.005   0.632
  205   2HD1  LEU  25          2HD1      LEU  25   3.266   4.698   0.435
  206   3HD1  LEU  25          3HD1      LEU  25   3.848   5.581  -0.976
  207   1HD2  LEU  25          1HD2      LEU  25   1.811   6.598   2.270
  208   2HD2  LEU  25          2HD2      LEU  25   0.486   6.537   1.107
  209   3HD2  LEU  25          3HD2      LEU  25   1.498   5.116   1.365
  210    H    SER  26           H        SER  26   2.602   7.844  -2.207
  211    HA   SER  26           HA       SER  26   2.210  10.603  -3.189
  212   1HB   SER  26          1HB       SER  26   2.556   9.984  -5.438
  213   2HB   SER  26          2HB       SER  26   3.880   9.229  -4.560
  214    HG   SER  26           HG       SER  26   3.102   7.591  -5.716
  215    H    SER  27           H        SER  27   1.054   7.265  -3.747
  216    HA   SER  27           HA       SER  27  -1.673   8.060  -3.137
  217   1HB   SER  27          1HB       SER  27  -2.622   7.620  -5.285
  218   2HB   SER  27          2HB       SER  27  -1.286   8.735  -5.550
  219    HG   SER  27           HG       SER  27  -1.379   5.937  -5.976
  220    H    TRP  28           H        TRP  28  -3.056   5.990  -4.238
  221    HA   TRP  28           HA       TRP  28  -1.712   3.473  -3.595
  222   1HB   TRP  28          1HB       TRP  28  -3.606   2.831  -2.044
  223   2HB   TRP  28          2HB       TRP  28  -2.507   4.050  -1.401
  224    HD1  TRP  28           HD1      TRP  28  -3.376   6.566  -1.280
  225    HE1  TRP  28           HE1      TRP  28  -5.752   7.564  -1.250
  226    HE3  TRP  28           HE3      TRP  28  -6.053   2.529  -2.916
  227    HZ2  TRP  28           HZ2      TRP  28  -8.431   6.753  -1.847
  228    HZ3  TRP  28           HZ3      TRP  28  -8.509   2.674  -3.176
  229    HH2  TRP  28           HH2      TRP  28  -9.702   4.779  -2.642
  230    H    TYR  29           H        TYR  29  -2.605   1.734  -4.664
  231    HA   TYR  29           HA       TYR  29  -5.029   2.315  -6.253
  232   1HB   TYR  29          1HB       TYR  29  -4.175   1.070  -8.092
  233   2HB   TYR  29          2HB       TYR  29  -2.878   2.139  -7.580
  234    HD1  TYR  29           HD1      TYR  29  -0.965   1.202  -6.195
  235    HD2  TYR  29           HD2      TYR  29  -3.949  -1.297  -8.015
  236    HE1  TYR  29           HE1      TYR  29   0.523  -0.758  -5.945
  237    HE2  TYR  29           HE2      TYR  29  -2.458  -3.260  -7.760
  238    HH   TYR  29           HH       TYR  29   0.209  -3.527  -7.571
  239    HA   PRO  30           HA       PRO  30  -6.640  -1.271  -4.183
  240   1HB   PRO  30          1HB       PRO  30  -8.944  -1.565  -5.620
  241   2HB   PRO  30          2HB       PRO  30  -8.700  -0.303  -4.403
  242   1HG   PRO  30          1HG       PRO  30  -8.774  -0.077  -7.348
  243   2HG   PRO  30          2HG       PRO  30  -9.109   1.146  -6.115
  244   1HD   PRO  30          1HD       PRO  30  -6.715   0.869  -7.637
  245   2HD   PRO  30          2HD       PRO  30  -6.988   1.967  -6.264
  246    H    THR  31           H        THR  31  -6.857  -3.507  -4.419
  247    HA   THR  31           HA       THR  31  -5.958  -4.588  -7.017
  248    HB   THR  31           HB       THR  31  -4.482  -5.147  -5.162
  249    HG1  THR  31           HG1      THR  31  -4.337  -6.978  -6.130
  250   1HG2  THR  31          1HG2      THR  31  -7.068  -5.728  -3.840
  251   2HG2  THR  31          2HG2      THR  31  -5.758  -6.855  -3.486
  252   3HG2  THR  31          3HG2      THR  31  -5.556  -5.136  -3.149
  253    H    SER  32           H        SER  32  -6.731  -7.028  -7.165
  254    HA   SER  32           HA       SER  32  -9.549  -6.927  -7.595
  255   1HB   SER  32          1HB       SER  32  -9.079  -9.544  -7.817
  256   2HB   SER  32          2HB       SER  32  -8.603  -8.406  -9.073
  257    HG   SER  32           HG       SER  32  -6.629  -8.975  -8.683
  258    H    GLN  33           H        GLN  33 -11.080  -8.537  -6.699
  259    HA   GLN  33           HA       GLN  33 -10.578  -8.935  -3.809
  260   1HB   GLN  33          1HB       GLN  33 -12.495  -7.381  -4.665
  261   2HB   GLN  33          2HB       GLN  33 -13.327  -8.896  -5.015
  262   1HG   GLN  33          1HG       GLN  33 -13.420  -9.521  -2.769
  263   2HG   GLN  33          2HG       GLN  33 -12.049  -8.501  -2.325
  264   2HE2  GLN  33          2HE2      GLN  33 -15.523  -8.454  -3.078
  265   1HE2  GLN  33          1HE2      GLN  33 -15.806  -6.899  -2.460
  266    H    LEU  34           H        LEU  34  -9.872 -10.761  -6.047
  267    HA   LEU  34           HA       LEU  34 -11.561 -13.067  -5.275
  268   1HB   LEU  34          1HB       LEU  34 -10.908 -14.056  -7.446
  269   2HB   LEU  34          2HB       LEU  34 -11.872 -12.603  -7.602
  270    HG   LEU  34           HG       LEU  34  -9.413 -11.510  -7.769
  271   1HD1  LEU  34          1HD1      LEU  34  -9.146 -14.409  -8.411
  272   2HD1  LEU  34          2HD1      LEU  34  -8.302 -13.258  -9.448
  273   3HD1  LEU  34          3HD1      LEU  34  -7.966 -13.297  -7.717
  274   1HD2  LEU  34          1HD2      LEU  34 -11.427 -11.525  -9.383
  275   2HD2  LEU  34          2HD2      LEU  34  -9.823 -11.319 -10.090
  276   3HD2  LEU  34          3HD2      LEU  34 -10.625 -12.889 -10.162
  277    H    CYS  35           H        CYS  35  -9.200 -12.045  -3.891
  278    HA   CYS  35           HA       CYS  35  -7.392 -14.356  -4.285
  279   1HB   CYS  35          1HB       CYS  35  -6.667 -11.572  -3.340
  280   2HB   CYS  35          2HB       CYS  35  -5.555 -12.937  -3.461
  281    H    SER  36           H        SER  36  -5.905 -14.378  -2.126
  282    HA   SER  36           HA       SER  36  -7.638 -15.310  -0.073
  283   1HB   SER  36          1HB       SER  36  -5.139 -15.932  -0.625
  284   2HB   SER  36          2HB       SER  36  -4.783 -14.614   0.488
  285    HG   SER  36           HG       SER  36  -5.191 -16.959   1.243
  286    H    LYS  37           H        LYS  37  -5.250 -12.673   0.020
  287    HA   LYS  37           HA       LYS  37  -6.995 -11.290   1.974
  288   1HB   LYS  37          1HB       LYS  37  -3.993 -10.990   1.757
  289   2HB   LYS  37          2HB       LYS  37  -5.044 -10.371   3.029
  290   1HG   LYS  37          1HG       LYS  37  -5.635 -12.704   3.648
  291   2HG   LYS  37          2HG       LYS  37  -4.520 -13.296   2.415
  292   1HD   LYS  37          1HD       LYS  37  -3.060 -13.315   4.183
  293   2HD   LYS  37          2HD       LYS  37  -2.865 -11.621   3.732
  294   1HE   LYS  37          1HE       LYS  37  -4.938 -12.553   5.728
  295   2HE   LYS  37          2HE       LYS  37  -3.317 -12.046   6.201
  296   1HZ   LYS  37          1HZ       LYS  37  -3.855  -9.968   4.820
  297   2HZ   LYS  37          2HZ       LYS  37  -5.473 -10.449   4.981
  298   3HZ   LYS  37          3HZ       LYS  37  -4.547 -10.114   6.364
  299    HA   PRO  38           HA       PRO  38  -6.570  -8.478  -1.646
  300   1HB   PRO  38          1HB       PRO  38  -9.223  -7.884  -1.889
  301   2HB   PRO  38          2HB       PRO  38  -8.458  -9.287  -2.648
  302   1HG   PRO  38          1HG       PRO  38 -10.283  -9.176  -0.327
  303   2HG   PRO  38          2HG       PRO  38  -9.959 -10.510  -1.444
  304   1HD   PRO  38          1HD       PRO  38  -8.915 -10.194   1.193
  305   2HD   PRO  38          2HD       PRO  38  -8.455 -11.432   0.001
  306    H    GLY  39           H        GLY  39  -6.124  -6.361  -1.379
  307   1HA   GLY  39          1HA       GLY  39  -6.054  -4.902   0.864
  308   2HA   GLY  39          2HA       GLY  39  -7.735  -4.684   0.382
  309    H    VAL  40           H        VAL  40  -4.900  -3.172   0.320
  310    HA   VAL  40           HA       VAL  40  -5.025  -2.205  -2.446
  311    HB   VAL  40           HB       VAL  40  -5.177  -0.292  -0.106
  312   1HG1  VAL  40          1HG1      VAL  40  -4.143   0.172  -2.547
  313   2HG1  VAL  40          2HG1      VAL  40  -5.847   0.456  -2.902
  314   3HG1  VAL  40          3HG1      VAL  40  -5.039   1.392  -1.645
  315   1HG2  VAL  40          1HG2      VAL  40  -7.288  -1.441  -1.924
  316   2HG2  VAL  40          2HG2      VAL  40  -7.325  -1.264  -0.170
  317   3HG2  VAL  40          3HG2      VAL  40  -7.486   0.156  -1.203
  318    H    ILE  41           H        ILE  41  -3.102  -1.556  -3.227
  319    HA   ILE  41           HA       ILE  41  -0.806  -1.709  -1.386
  320    HB   ILE  41           HB       ILE  41  -1.078  -2.183  -4.359
  321   1HG1  ILE  41          1HG1      ILE  41   0.219  -4.293  -3.499
  322   2HG1  ILE  41          2HG1      ILE  41  -0.378  -3.786  -1.919
  323   1HG2  ILE  41          1HG2      ILE  41   1.500  -1.966  -2.765
  324   2HG2  ILE  41          2HG2      ILE  41   1.373  -2.509  -4.438
  325   3HG2  ILE  41          3HG2      ILE  41   0.973  -0.842  -4.019
  326   1HD1  ILE  41          1HD1      ILE  41  -2.378  -3.803  -4.114
  327   2HD1  ILE  41          2HD1      ILE  41  -1.796  -5.382  -3.586
  328   3HD1  ILE  41          3HD1      ILE  41  -2.551  -4.288  -2.427
  329    H    PHE  42           H        PHE  42   0.439   0.020  -1.037
  330    HA   PHE  42           HA       PHE  42  -0.352   2.562  -2.249
  331   1HB   PHE  42          1HB       PHE  42   1.444   1.820   0.061
  332   2HB   PHE  42          2HB       PHE  42   1.382   3.460  -0.587
  333    HD1  PHE  42           HD1      PHE  42  -0.792   0.723   0.742
  334    HD2  PHE  42           HD2      PHE  42  -0.326   4.939   0.064
  335    HE1  PHE  42           HE1      PHE  42  -2.867   1.158   2.028
  336    HE2  PHE  42           HE2      PHE  42  -2.404   5.373   1.349
  337    HZ   PHE  42           HZ       PHE  42  -3.673   3.483   2.331
  338    H    LEU  43           H        LEU  43   1.314   4.041  -3.045
  339    HA   LEU  43           HA       LEU  43   3.728   2.699  -4.072
  340   1HB   LEU  43          1HB       LEU  43   2.359   4.616  -5.879
  341   2HB   LEU  43          2HB       LEU  43   3.363   3.237  -6.265
  342    HG   LEU  43           HG       LEU  43   1.307   1.853  -5.392
  343   1HD1  LEU  43          1HD1      LEU  43   0.309   4.297  -4.816
  344   2HD1  LEU  43          2HD1      LEU  43  -0.298   4.119  -6.462
  345   3HD1  LEU  43          3HD1      LEU  43  -0.716   2.925  -5.234
  346   1HD2  LEU  43          1HD2      LEU  43   2.281   2.281  -7.801
  347   2HD2  LEU  43          2HD2      LEU  43   0.677   1.570  -7.623
  348   3HD2  LEU  43          3HD2      LEU  43   0.845   3.287  -7.992
  349    H    THR  44           H        THR  44   5.253   3.817  -2.971
  350    HA   THR  44           HA       THR  44   5.009   6.562  -2.255
  351    HB   THR  44           HB       THR  44   7.365   6.409  -1.634
  352    HG1  THR  44           HG1      THR  44   7.240   3.950  -3.035
  353   1HG2  THR  44          1HG2      THR  44   5.422   4.285  -0.924
  354   2HG2  THR  44          2HG2      THR  44   7.098   3.980  -0.469
  355   3HG2  THR  44          3HG2      THR  44   6.275   5.425   0.117
  356    H    LYS  45           H        LYS  45   6.690   8.205  -2.979
  357    HA   LYS  45           HA       LYS  45   6.371   8.736  -5.732
  358   1HB   LYS  45          1HB       LYS  45   8.460   9.858  -3.846
  359   2HB   LYS  45          2HB       LYS  45   7.975  10.554  -5.392
  360   1HG   LYS  45          1HG       LYS  45   5.967  11.322  -4.574
  361   2HG   LYS  45          2HG       LYS  45   5.809   9.993  -3.424
  362   1HD   LYS  45          1HD       LYS  45   6.236  11.945  -2.111
  363   2HD   LYS  45          2HD       LYS  45   7.753  11.045  -2.146
  364   1HE   LYS  45          1HE       LYS  45   8.307  12.498  -4.231
  365   2HE   LYS  45          2HE       LYS  45   7.018  13.551  -3.647
  366   1HZ   LYS  45          1HZ       LYS  45   8.164  13.653  -1.499
  367   2HZ   LYS  45          2HZ       LYS  45   9.433  12.718  -2.133
  368   3HZ   LYS  45          3HZ       LYS  45   9.123  14.263  -2.761
  369    H    ARG  46           H        ARG  46   9.324   7.856  -3.941
  370    HA   ARG  46           HA       ARG  46  10.324   6.537  -6.393
  371   1HB   ARG  46          1HB       ARG  46  11.423   8.761  -5.950
  372   2HB   ARG  46          2HB       ARG  46  12.043   8.071  -4.449
  373   1HG   ARG  46          1HG       ARG  46  13.400   6.519  -5.572
  374   2HG   ARG  46          2HG       ARG  46  12.471   6.648  -7.066
  375   1HD   ARG  46          1HD       ARG  46  14.362   7.905  -7.587
  376   2HD   ARG  46          2HD       ARG  46  13.255   9.149  -7.017
  377    HE   ARG  46           HE       ARG  46  14.894   8.054  -4.911
  378   1HH1  ARG  46          1HH1      ARG  46  14.770  10.393  -7.513
  379   2HH1  ARG  46          2HH1      ARG  46  15.964  11.420  -6.798
  380   1HH2  ARG  46          1HH2      ARG  46  16.448   9.421  -4.015
  381   2HH2  ARG  46          2HH2      ARG  46  16.908  10.875  -4.836
  382    H    GLY  47           H        GLY  47   9.371   6.013  -3.268
  383   1HA   GLY  47          1HA       GLY  47   9.914   4.485  -1.624
  384   2HA   GLY  47          2HA       GLY  47  11.505   4.320  -2.357
  385    H    ARG  48           H        ARG  48   8.518   2.863  -1.844
  386    HA   ARG  48           HA       ARG  48   8.645   1.068  -4.142
  387   1HB   ARG  48          1HB       ARG  48   9.597   0.333  -1.432
  388   2HB   ARG  48          2HB       ARG  48   8.540  -0.837  -2.217
  389   1HG   ARG  48          1HG       ARG  48   9.993  -0.927  -4.162
  390   2HG   ARG  48          2HG       ARG  48  11.001   0.367  -3.513
  391   1HD   ARG  48          1HD       ARG  48  12.220  -1.511  -2.885
  392   2HD   ARG  48          2HD       ARG  48  11.241  -1.238  -1.449
  393    HE   ARG  48           HE       ARG  48  10.128  -3.225  -1.892
  394   1HH1  ARG  48          1HH1      ARG  48  11.885  -2.205  -4.743
  395   2HH1  ARG  48          2HH1      ARG  48  11.568  -3.673  -5.601
  396   1HH2  ARG  48          1HH2      ARG  48   9.738  -5.123  -3.047
  397   2HH2  ARG  48          2HH2      ARG  48  10.364  -5.311  -4.652
  398    H    GLN  49           H        GLN  49   7.003  -0.897  -3.454
  399    HA   GLN  49           HA       GLN  49   4.492   0.507  -2.873
  400   1HB   GLN  49          1HB       GLN  49   5.233  -1.950  -4.377
  401   2HB   GLN  49          2HB       GLN  49   3.661  -1.945  -3.576
  402   1HG   GLN  49          1HG       GLN  49   2.820  -0.299  -4.934
  403   2HG   GLN  49          2HG       GLN  49   4.381   0.508  -5.098
  404   2HE2  GLN  49          2HE2      GLN  49   2.228  -0.833  -7.054
  405   1HE2  GLN  49          1HE2      GLN  49   3.229  -1.651  -8.153
  406    H    VAL  50           H        VAL  50   2.865  -0.623  -1.542
  407    HA   VAL  50           HA       VAL  50   3.846  -2.583   0.377
  408    HB   VAL  50           HB       VAL  50   2.949   0.167   1.282
  409   1HG1  VAL  50          1HG1      VAL  50   2.685  -2.287   2.602
  410   2HG1  VAL  50          2HG1      VAL  50   4.156  -1.592   3.282
  411   3HG1  VAL  50          3HG1      VAL  50   2.642  -0.691   3.350
  412   1HG2  VAL  50          1HG2      VAL  50   5.629  -1.234   1.259
  413   2HG2  VAL  50          2HG2      VAL  50   5.213   0.315   0.525
  414   3HG2  VAL  50          3HG2      VAL  50   5.296   0.164   2.280
  415    H    CYS  51           H        CYS  51   2.253  -3.888   1.010
  416    HA   CYS  51           HA       CYS  51  -0.446  -3.419   0.043
  417   1HB   CYS  51          1HB       CYS  51   0.735  -5.696   1.657
  418   2HB   CYS  51          2HB       CYS  51  -0.899  -5.663   0.998
  419    H    ALA  52           H        ALA  52  -2.033  -2.504   1.210
  420    HA   ALA  52           HA       ALA  52  -1.983  -2.720   4.131
  421   1HB   ALA  52          1HB       ALA  52  -0.962  -0.678   4.205
  422   2HB   ALA  52          2HB       ALA  52  -2.618  -0.116   3.989
  423   3HB   ALA  52          3HB       ALA  52  -1.534  -0.214   2.603
  424    H    ASP  53           H        ASP  53  -3.966  -2.604   5.082
  425    HA   ASP  53           HA       ASP  53  -6.269  -2.622   3.251
  426   1HB   ASP  53          1HB       ASP  53  -5.674  -3.843   5.896
  427   2HB   ASP  53          2HB       ASP  53  -7.339  -3.331   5.624
  428    H    LYS  54           H        LYS  54  -7.862  -1.127   3.353
  429    HA   LYS  54           HA       LYS  54  -7.376   1.385   4.524
  430   1HB   LYS  54          1HB       LYS  54  -9.751   1.880   3.969
  431   2HB   LYS  54          2HB       LYS  54  -8.875   1.157   2.619
  432   1HG   LYS  54          1HG       LYS  54  -9.803  -1.089   3.809
  433   2HG   LYS  54          2HG       LYS  54 -11.084   0.036   4.258
  434   1HD   LYS  54          1HD       LYS  54 -11.729   0.400   2.062
  435   2HD   LYS  54          2HD       LYS  54 -10.125   0.036   1.422
  436   1HE   LYS  54          1HE       LYS  54 -11.443  -1.836   0.806
  437   2HE   LYS  54          2HE       LYS  54 -10.548  -2.376   2.226
  438   1HZ   LYS  54          1HZ       LYS  54 -13.306  -1.278   2.277
  439   2HZ   LYS  54          2HZ       LYS  54 -12.918  -2.931   2.335
  440   3HZ   LYS  54          3HZ       LYS  54 -12.446  -1.900   3.601
  441    H    SER  55           H        SER  55  -8.940  -1.481   5.758
  442    HA   SER  55           HA       SER  55 -10.470  -0.389   7.834
  443   1HB   SER  55          1HB       SER  55  -9.992  -2.916   6.955
  444   2HB   SER  55          2HB       SER  55  -9.078  -2.912   8.459
  445    HG   SER  55           HG       SER  55 -11.105  -3.421   9.066
  446    H    LYS  56           H        LYS  56  -7.024  -0.885   7.550
  447    HA   LYS  56           HA       LYS  56  -6.290  -0.791  10.264
  448   1HB   LYS  56          1HB       LYS  56  -4.758   0.293   7.887
  449   2HB   LYS  56          2HB       LYS  56  -4.083  -0.090   9.470
  450   1HG   LYS  56          1HG       LYS  56  -5.279  -2.443   8.945
  451   2HG   LYS  56          2HG       LYS  56  -4.954  -1.920   7.292
  452   1HD   LYS  56          1HD       LYS  56  -2.931  -2.918   7.714
  453   2HD   LYS  56          2HD       LYS  56  -2.570  -1.331   8.395
  454   1HE   LYS  56          1HE       LYS  56  -3.449  -2.226  10.615
  455   2HE   LYS  56          2HE       LYS  56  -3.430  -3.826   9.874
  456   1HZ   LYS  56          1HZ       LYS  56  -1.019  -3.167   9.255
  457   2HZ   LYS  56          2HZ       LYS  56  -1.176  -2.054  10.528
  458   3HZ   LYS  56          3HZ       LYS  56  -1.359  -3.717  10.823
  459    H    ASP  57           H        ASP  57  -4.682   1.248  10.813
  460    HA   ASP  57           HA       ASP  57  -6.539   3.516  10.991
  461   1HB   ASP  57          1HB       ASP  57  -4.081   2.724  12.543
  462   2HB   ASP  57          2HB       ASP  57  -4.774   4.341  12.667
  463    H    TRP  58           H        TRP  58  -2.999   3.181  10.654
  464    HA   TRP  58           HA       TRP  58  -2.612   5.745   9.577
  465   1HB   TRP  58          1HB       TRP  58  -0.406   4.906   8.802
  466   2HB   TRP  58          2HB       TRP  58  -0.730   4.549  10.494
  467    HD1  TRP  58           HD1      TRP  58  -1.272   2.009  11.139
  468    HE1  TRP  58           HE1      TRP  58  -0.665  -0.202   9.964
  469    HE3  TRP  58           HE3      TRP  58  -0.106   3.772   6.497
  470    HZ2  TRP  58           HZ2      TRP  58   0.203  -1.110   7.378
  471    HZ3  TRP  58           HZ3      TRP  58   0.606   2.223   4.700
  472    HH2  TRP  58           HH2      TRP  58   0.759  -0.210   5.135
  473    H    VAL  59           H        VAL  59  -3.586   2.757   8.078
  474    HA   VAL  59           HA       VAL  59  -3.022   3.546   5.380
  475    HB   VAL  59           HB       VAL  59  -5.057   1.525   6.350
  476   1HG1  VAL  59          1HG1      VAL  59  -3.631   1.985   3.718
  477   2HG1  VAL  59          2HG1      VAL  59  -4.514   0.507   4.095
  478   3HG1  VAL  59          3HG1      VAL  59  -5.367   2.049   4.017
  479   1HG2  VAL  59          1HG2      VAL  59  -2.094   1.268   5.756
  480   2HG2  VAL  59          2HG2      VAL  59  -2.895   0.971   7.300
  481   3HG2  VAL  59          3HG2      VAL  59  -3.183  -0.107   5.934
  482    H    LYS  60           H        LYS  60  -5.692   3.932   7.611
  483    HA   LYS  60           HA       LYS  60  -7.646   4.769   5.719
  484   1HB   LYS  60          1HB       LYS  60  -7.966   3.997   8.173
  485   2HB   LYS  60          2HB       LYS  60  -7.590   5.669   8.590
  486   1HG   LYS  60          1HG       LYS  60  -9.451   6.500   7.336
  487   2HG   LYS  60          2HG       LYS  60  -9.712   4.937   6.561
  488   1HD   LYS  60          1HD       LYS  60 -10.039   4.058   8.998
  489   2HD   LYS  60          2HD       LYS  60 -10.302   5.757   9.396
  490   1HE   LYS  60          1HE       LYS  60 -11.766   4.513   7.082
  491   2HE   LYS  60          2HE       LYS  60 -12.358   4.283   8.727
  492   1HZ   LYS  60          1HZ       LYS  60 -11.818   6.905   7.440
  493   2HZ   LYS  60          2HZ       LYS  60 -13.355   6.222   7.678
  494   3HZ   LYS  60          3HZ       LYS  60 -12.413   6.674   9.014
  495    H    LYS  61           H        LYS  61  -5.386   6.518   7.829
  496    HA   LYS  61           HA       LYS  61  -6.221   9.128   7.187
  497   1HB   LYS  61          1HB       LYS  61  -4.492   8.223   8.977
  498   2HB   LYS  61          2HB       LYS  61  -3.328   8.580   7.700
  499   1HG   LYS  61          1HG       LYS  61  -3.478  10.585   8.969
  500   2HG   LYS  61          2HG       LYS  61  -4.458  10.880   7.532
  501   1HD   LYS  61          1HD       LYS  61  -5.915  11.588   9.200
  502   2HD   LYS  61          2HD       LYS  61  -6.399   9.900   9.034
  503   1HE   LYS  61          1HE       LYS  61  -6.119  10.034  11.335
  504   2HE   LYS  61          2HE       LYS  61  -4.508   9.511  10.844
  505   1HZ   LYS  61          1HZ       LYS  61  -3.975  11.969  10.703
  506   2HZ   LYS  61          2HZ       LYS  61  -5.411  12.233  11.567
  507   3HZ   LYS  61          3HZ       LYS  61  -4.159  11.317  12.261
  508    H    LEU  62           H        LEU  62  -3.762   7.038   5.711
  509    HA   LEU  62           HA       LEU  62  -2.783   8.895   3.825
  510   1HB   LEU  62          1HB       LEU  62  -2.991   5.895   3.619
  511   2HB   LEU  62          2HB       LEU  62  -2.053   6.913   2.549
  512    HG   LEU  62           HG       LEU  62  -1.492   7.037   5.483
  513   1HD1  LEU  62          1HD1      LEU  62  -0.942   4.739   3.629
  514   2HD1  LEU  62          2HD1      LEU  62   0.236   5.149   4.878
  515   3HD1  LEU  62          3HD1      LEU  62  -1.413   4.712   5.328
  516   1HD2  LEU  62          1HD2      LEU  62  -0.028   7.427   2.880
  517   2HD2  LEU  62          2HD2      LEU  62  -0.186   8.541   4.236
  518   3HD2  LEU  62          3HD2      LEU  62   0.874   7.137   4.367
  519    H    MET  63           H        MET  63  -5.378   6.506   3.665
  520    HA   MET  63           HA       MET  63  -6.119   6.746   0.991
  521   1HB   MET  63          1HB       MET  63  -7.651   6.092   3.486
  522   2HB   MET  63          2HB       MET  63  -8.499   6.262   1.950
  523   1HG   MET  63          1HG       MET  63  -6.459   4.692   1.145
  524   2HG   MET  63          2HG       MET  63  -6.562   4.179   2.828
  525   1HE   MET  63          1HE       MET  63  -7.054   3.394  -0.245
  526   2HE   MET  63          2HE       MET  63  -7.477   1.827   0.439
  527   3HE   MET  63          3HE       MET  63  -8.633   2.673  -0.587
  528    H    GLN  64           H        GLN  64  -6.868   8.811   3.732
  529    HA   GLN  64           HA       GLN  64  -8.675  10.484   2.176
  530   1HB   GLN  64          1HB       GLN  64  -7.566  10.853   4.971
  531   2HB   GLN  64          2HB       GLN  64  -8.831  11.834   4.230
  532   1HG   GLN  64          1HG       GLN  64 -10.248   9.826   3.986
  533   2HG   GLN  64          2HG       GLN  64  -8.986   8.847   4.736
  534   2HE2  GLN  64          2HE2      GLN  64 -10.734  11.927   5.475
  535   1HE2  GLN  64          1HE2      GLN  64 -10.946  11.573   7.122
  536    H    GLN  65           H        GLN  65  -5.354  10.469   3.287
  537    HA   GLN  65           HA       GLN  65  -4.790  13.207   2.690
  538   1HB   GLN  65          1HB       GLN  65  -3.167  10.780   3.335
  539   2HB   GLN  65          2HB       GLN  65  -2.357  12.179   2.633
  540   1HG   GLN  65          1HG       GLN  65  -3.876  13.408   4.519
  541   2HG   GLN  65          2HG       GLN  65  -3.596  11.856   5.309
  542   2HE2  GLN  65          2HE2      GLN  65  -2.049  14.821   4.215
  543   1HE2  GLN  65          1HE2      GLN  65  -0.524  14.489   4.884
  544    H    LEU  66           H        LEU  66  -4.645  10.187   0.895
  545    HA   LEU  66           HA       LEU  66  -3.779  11.709  -1.493
  546   1HB   LEU  66          1HB       LEU  66  -3.517   8.738  -1.247
  547   2HB   LEU  66          2HB       LEU  66  -2.655   9.835  -2.305
  548    HG   LEU  66           HG       LEU  66  -2.265   9.781   0.693
  549   1HD1  LEU  66          1HD1      LEU  66  -1.672   7.594  -0.330
  550   2HD1  LEU  66          2HD1      LEU  66  -0.625   8.432  -1.476
  551   3HD1  LEU  66          3HD1      LEU  66  -0.247   8.457   0.248
  552   1HD2  LEU  66          1HD2      LEU  66  -1.602  11.730  -1.051
  553   2HD2  LEU  66          2HD2      LEU  66  -0.594  11.321   0.338
  554   3HD2  LEU  66          3HD2      LEU  66  -0.200  10.681  -1.256
  555    HA   PRO  67           HA       PRO  67  -7.688  10.501  -3.165
  556   1HB   PRO  67          1HB       PRO  67  -7.199  10.902  -5.829
  557   2HB   PRO  67          2HB       PRO  67  -7.463  12.210  -4.666
  558   1HG   PRO  67          1HG       PRO  67  -4.948  11.311  -5.946
  559   2HG   PRO  67          2HG       PRO  67  -5.385  12.906  -5.316
  560   1HD   PRO  67          1HD       PRO  67  -3.738  10.987  -4.031
  561   2HD   PRO  67          2HD       PRO  67  -4.412  12.461  -3.297
  562    H    VAL  68           H        VAL  68  -5.749   9.444  -5.944
  563    HA   VAL  68           HA       VAL  68  -5.385   6.768  -5.355
  564    HB   VAL  68           HB       VAL  68  -8.135   7.248  -5.519
  565   1HG1  VAL  68          1HG1      VAL  68  -7.909   7.424  -8.026
  566   2HG1  VAL  68          2HG1      VAL  68  -7.361   5.749  -8.030
  567   3HG1  VAL  68          3HG1      VAL  68  -8.987   6.142  -7.473
  568   1HG2  VAL  68          1HG2      VAL  68  -6.605   4.670  -5.930
  569   2HG2  VAL  68          2HG2      VAL  68  -7.038   5.387  -4.379
  570   3HG2  VAL  68          3HG2      VAL  68  -8.300   4.785  -5.453
  571    H    THR  69           H        THR  69  -4.301   5.749  -6.993
  572    HA   THR  69           HA       THR  69  -3.722   7.406  -9.339
  573    HB   THR  69           HB       THR  69  -1.768   6.584  -8.189
  574    HG1  THR  69           HG1      THR  69  -0.818   5.492  -9.903
  575   1HG2  THR  69          1HG2      THR  69  -3.144   3.908  -8.451
  576   2HG2  THR  69          2HG2      THR  69  -1.419   4.049  -8.114
  577   3HG2  THR  69          3HG2      THR  69  -2.595   4.707  -6.978
  578    H    ALA  70           H        ALA  70  -5.202   4.366  -8.441
  579    HA   ALA  70           HA       ALA  70  -6.196   4.084 -11.183
  580   1HB   ALA  70          1HB       ALA  70  -5.760   1.497 -10.739
  581   2HB   ALA  70          2HB       ALA  70  -4.531   2.523 -11.480
  582   3HB   ALA  70          3HB       ALA  70  -4.439   2.138  -9.761
  583    H    ARG  71           H        ARG  71  -8.152   2.971 -11.343
  584    HA   ARG  71           HA       ARG  71  -9.375   1.794  -8.993
  585   1HB   ARG  71          1HB       ARG  71  -9.702   4.358  -8.861
  586   2HB   ARG  71          2HB       ARG  71 -10.821   4.138 -10.208
  587   1HG   ARG  71          1HG       ARG  71 -11.129   2.279  -7.904
  588   2HG   ARG  71          2HG       ARG  71 -11.606   3.957  -7.637
  589   1HD   ARG  71          1HD       ARG  71 -13.583   3.204  -8.517
  590   2HD   ARG  71          2HD       ARG  71 -12.764   3.573 -10.030
  591    HE   ARG  71           HE       ARG  71 -12.792   1.312 -10.496
  592   1HH1  ARG  71          1HH1      ARG  71 -13.062   1.758  -7.034
  593   2HH1  ARG  71          2HH1      ARG  71 -13.266   0.071  -6.718
  594   1HH2  ARG  71          1HH2      ARG  71 -13.059  -0.880 -10.039
  595   2HH2  ARG  71          2HH2      ARG  71 -13.265  -1.412  -8.403

  No H/Q in entry =         595
  Start of MODEL    5
    1    H1   LEU   1           H1       LEU   1  -0.487 -28.744 -17.713
    2    H2   LEU   1           H2       LEU   1  -0.423 -27.212 -18.437
    3    H3   LEU   1           H3       LEU   1   0.663 -28.424 -18.923
    4    HA   LEU   1           HA       LEU   1   1.712 -28.411 -16.757
    5   1HB   LEU   1          1HB       LEU   1   2.046 -26.581 -18.740
    6   2HB   LEU   1          2HB       LEU   1   1.633 -25.511 -17.403
    7    HG   LEU   1           HG       LEU   1   4.066 -25.831 -17.523
    8   1HD1  LEU   1          1HD1      LEU   1   2.956 -25.581 -15.299
    9   2HD1  LEU   1          2HD1      LEU   1   2.901 -27.339 -15.165
   10   3HD1  LEU   1          3HD1      LEU   1   4.456 -26.507 -15.217
   11   1HD2  LEU   1          1HD2      LEU   1   3.714 -28.224 -18.518
   12   2HD2  LEU   1          2HD2      LEU   1   5.114 -27.930 -17.487
   13   3HD2  LEU   1          3HD2      LEU   1   3.688 -28.738 -16.831
   14    H    GLY   2           H        GLY   2   0.699 -28.684 -14.841
   15   1HA   GLY   2          1HA       GLY   2  -0.527 -28.216 -12.939
   16   2HA   GLY   2          2HA       GLY   2  -1.412 -27.018 -13.879
   17    H    ALA   3           H        ALA   3   1.783 -27.549 -12.391
   18    HA   ALA   3           HA       ALA   3   3.194 -26.137 -11.249
   19   1HB   ALA   3          1HB       ALA   3   2.886 -23.606 -12.002
   20   2HB   ALA   3          2HB       ALA   3   1.979 -24.359 -13.315
   21   3HB   ALA   3          3HB       ALA   3   3.669 -24.785 -13.053
   22    H    SER   4           H        SER   4   2.306 -26.420  -9.216
   23    HA   SER   4           HA       SER   4  -0.033 -25.163  -8.257
   24   1HB   SER   4          1HB       SER   4   2.314 -25.832  -6.496
   25   2HB   SER   4          2HB       SER   4   0.596 -25.911  -6.118
   26    HG   SER   4           HG       SER   4   1.422 -27.979  -6.538
   27    H    TRP   5           H        TRP   5  -0.234 -23.410  -6.762
   28    HA   TRP   5           HA       TRP   5   1.126 -21.064  -7.551
   29   1HB   TRP   5          1HB       TRP   5   0.042 -20.032  -5.543
   30   2HB   TRP   5          2HB       TRP   5  -1.085 -20.904  -6.582
   31    HD1  TRP   5           HD1      TRP   5  -2.267 -23.012  -5.622
   32    HE1  TRP   5           HE1      TRP   5  -2.340 -24.104  -3.288
   33    HE3  TRP   5           HE3      TRP   5   1.535 -20.476  -3.342
   34    HZ2  TRP   5           HZ2      TRP   5  -0.966 -23.927  -0.785
   35    HZ3  TRP   5           HZ3      TRP   5   2.131 -20.957  -0.986
   36    HH2  TRP   5           HH2      TRP   5   0.886 -22.678   0.295
   37    H    HIS   6           H        HIS   6   2.291 -19.612  -5.986
   38    HA   HIS   6           HA       HIS   6   3.764 -20.806  -3.827
   39   1HB   HIS   6          1HB       HIS   6   5.012 -20.561  -6.527
   40   2HB   HIS   6          2HB       HIS   6   5.997 -20.168  -5.118
   41    HD1  HIS   6           HD1      HIS   6   5.899 -22.120  -3.154
   42    HD2  HIS   6           HD2      HIS   6   4.916 -23.274  -7.039
   43    HE1  HIS   6           HE1      HIS   6   6.095 -24.644  -3.223
   44    H    ARG   7           H        ARG   7   3.697 -18.220  -6.245
   45    HA   ARG   7           HA       ARG   7   3.756 -16.226  -4.116
   46   1HB   ARG   7          1HB       ARG   7   6.007 -16.690  -6.016
   47   2HB   ARG   7          2HB       ARG   7   5.573 -15.020  -5.650
   48   1HG   ARG   7          1HG       ARG   7   5.616 -15.762  -3.171
   49   2HG   ARG   7          2HG       ARG   7   6.496 -17.175  -3.753
   50   1HD   ARG   7          1HD       ARG   7   8.002 -15.438  -4.976
   51   2HD   ARG   7          2HD       ARG   7   7.308 -14.279  -3.848
   52    HE   ARG   7           HE       ARG   7   9.235 -16.343  -3.233
   53   1HH1  ARG   7          1HH1      ARG   7   6.688 -14.314  -1.947
   54   2HH1  ARG   7          2HH1      ARG   7   7.281 -14.401  -0.325
   55   1HH2  ARG   7          1HH2      ARG   7   9.974 -16.432  -1.105
   56   2HH2  ARG   7          2HH2      ARG   7   9.126 -15.590   0.150
   57    HA   PRO   8           HA       PRO   8   1.135 -14.972  -7.669
   58   1HB   PRO   8          1HB       PRO   8  -1.035 -14.238  -6.181
   59   2HB   PRO   8          2HB       PRO   8  -0.733 -15.895  -6.727
   60   1HG   PRO   8          1HG       PRO   8  -0.477 -14.736  -4.019
   61   2HG   PRO   8          2HG       PRO   8  -0.764 -16.413  -4.506
   62   1HD   PRO   8          1HD       PRO   8   1.710 -15.288  -3.655
   63   2HD   PRO   8          2HD       PRO   8   1.459 -16.907  -4.346
   64    H    ASP   9           H        ASP   9   2.511 -13.161  -8.044
   65    HA   ASP   9           HA       ASP   9   2.573 -10.859  -6.366
   66   1HB   ASP   9          1HB       ASP   9   3.314 -11.268  -9.269
   67   2HB   ASP   9          2HB       ASP   9   3.550  -9.744  -8.413
   68    H    LYS  10           H        LYS  10   0.325 -10.479  -5.964
   69    HA   LYS  10           HA       LYS  10  -0.803  -8.452  -7.565
   70   1HB   LYS  10          1HB       LYS  10  -1.221 -10.685  -8.907
   71   2HB   LYS  10          2HB       LYS  10  -2.525 -10.891  -7.737
   72   1HG   LYS  10          1HG       LYS  10  -3.411  -9.715  -9.665
   73   2HG   LYS  10          2HG       LYS  10  -3.326  -8.584  -8.314
   74   1HD   LYS  10          1HD       LYS  10  -1.512  -7.432  -9.213
   75   2HD   LYS  10          2HD       LYS  10  -0.987  -8.811 -10.180
   76   1HE   LYS  10          1HE       LYS  10  -2.717  -8.488 -11.776
   77   2HE   LYS  10          2HE       LYS  10  -3.607  -7.402 -10.707
   78   1HZ   LYS  10          1HZ       LYS  10  -1.750  -5.831 -10.871
   79   2HZ   LYS  10          2HZ       LYS  10  -0.978  -6.862 -11.976
   80   3HZ   LYS  10          3HZ       LYS  10  -2.461  -6.141 -12.383
   81    H    CYS  11           H        CYS  11  -2.168 -11.225  -5.803
   82    HA   CYS  11           HA       CYS  11  -3.575  -9.334  -4.030
   83   1HB   CYS  11          1HB       CYS  11  -3.999 -12.324  -4.259
   84   2HB   CYS  11          2HB       CYS  11  -5.044 -11.153  -3.458
   85    H    CYS  12           H        CYS  12  -1.431  -8.938  -2.999
   86    HA   CYS  12           HA       CYS  12  -0.022 -10.927  -1.583
   87   1HB   CYS  12          1HB       CYS  12   0.875  -9.025  -0.233
   88   2HB   CYS  12          2HB       CYS  12   0.998  -8.767  -1.972
   89    H    LEU  13           H        LEU  13  -0.392 -11.946   0.277
   90    HA   LEU  13           HA       LEU  13  -2.891 -11.480   1.676
   91   1HB   LEU  13          1HB       LEU  13  -0.745 -13.377   2.559
   92   2HB   LEU  13          2HB       LEU  13  -2.473 -13.482   2.822
   93    HG   LEU  13           HG       LEU  13  -1.434 -13.631   0.018
   94   1HD1  LEU  13          1HD1      LEU  13  -0.039 -15.164   1.474
   95   2HD1  LEU  13          2HD1      LEU  13  -1.531 -16.002   1.902
   96   3HD1  LEU  13          3HD1      LEU  13  -0.976 -15.988   0.228
   97   1HD2  LEU  13          1HD2      LEU  13  -3.742 -14.813   1.589
   98   2HD2  LEU  13          2HD2      LEU  13  -3.827 -13.609   0.304
   99   3HD2  LEU  13          3HD2      LEU  13  -3.373 -15.270  -0.074
  100    H    GLY  14           H        GLY  14   0.542 -10.982   2.194
  101   1HA   GLY  14          1HA       GLY  14   1.710 -10.128   4.024
  102   2HA   GLY  14          2HA       GLY  14   0.223 -10.194   4.968
  103    H    TYR  15           H        TYR  15   1.418  -8.023   5.533
  104    HA   TYR  15           HA       TYR  15   0.758  -5.885   3.641
  105   1HB   TYR  15          1HB       TYR  15  -0.384  -6.041   6.440
  106   2HB   TYR  15          2HB       TYR  15  -0.454  -4.615   5.406
  107    HD1  TYR  15           HD1      TYR  15  -1.602  -8.109   5.817
  108    HD2  TYR  15           HD2      TYR  15  -1.936  -4.505   3.506
  109    HE1  TYR  15           HE1      TYR  15  -3.616  -9.018   4.690
  110    HE2  TYR  15           HE2      TYR  15  -3.949  -5.412   2.380
  111    HH   TYR  15           HH       TYR  15  -4.877  -7.758   1.888
  112    H    GLN  16           H        GLN  16   1.254  -3.690   4.950
  113    HA   GLN  16           HA       GLN  16   4.040  -3.615   5.303
  114   1HB   GLN  16          1HB       GLN  16   2.607  -1.635   4.745
  115   2HB   GLN  16          2HB       GLN  16   2.039  -1.634   6.410
  116   1HG   GLN  16          1HG       GLN  16   3.873  -0.034   6.163
  117   2HG   GLN  16          2HG       GLN  16   4.382  -1.371   7.191
  118   2HE2  GLN  16          2HE2      GLN  16   6.614  -0.504   6.405
  119   1HE2  GLN  16          1HE2      GLN  16   7.220  -1.162   4.962
  120    H    LYS  17           H        LYS  17   1.440  -3.426   7.703
  121    HA   LYS  17           HA       LYS  17   1.342  -4.309   9.853
  122   1HB   LYS  17          1HB       LYS  17   3.340  -5.830   9.157
  123   2HB   LYS  17          2HB       LYS  17   4.325  -4.637  10.005
  124   1HG   LYS  17          1HG       LYS  17   3.449  -5.171  12.067
  125   2HG   LYS  17          2HG       LYS  17   1.882  -5.628  11.399
  126   1HD   LYS  17          1HD       LYS  17   3.046  -7.644  10.366
  127   2HD   LYS  17          2HD       LYS  17   4.443  -7.236  11.363
  128   1HE   LYS  17          1HE       LYS  17   1.669  -7.645  12.501
  129   2HE   LYS  17          2HE       LYS  17   2.863  -8.938  12.385
  130   1HZ   LYS  17          1HZ       LYS  17   3.436  -6.355  13.716
  131   2HZ   LYS  17          2HZ       LYS  17   2.785  -7.684  14.550
  132   3HZ   LYS  17          3HZ       LYS  17   4.312  -7.807  13.823
  133    H    ARG  18           H        ARG  18   4.039  -2.165   9.019
  134    HA   ARG  18           HA       ARG  18   3.547  -0.667  11.512
  135   1HB   ARG  18          1HB       ARG  18   5.764   0.395  11.032
  136   2HB   ARG  18          2HB       ARG  18   5.864  -1.347  11.295
  137   1HG   ARG  18          1HG       ARG  18   6.011  -1.776   8.931
  138   2HG   ARG  18          2HG       ARG  18   5.637  -0.095   8.547
  139   1HD   ARG  18          1HD       ARG  18   8.003  -0.305   8.316
  140   2HD   ARG  18          2HD       ARG  18   7.735   0.540   9.837
  141    HE   ARG  18           HE       ARG  18   7.880  -2.239  10.341
  142   1HH1  ARG  18          1HH1      ARG  18   9.912   0.439   9.366
  143   2HH1  ARG  18          2HH1      ARG  18  11.346  -0.257  10.038
  144   1HH2  ARG  18          1HH2      ARG  18   9.773  -3.111  11.202
  145   2HH2  ARG  18          2HH2      ARG  18  11.270  -2.250  11.069
  146    HA   PRO  19           HA       PRO  19   1.947   2.613   9.016
  147   1HB   PRO  19          1HB       PRO  19   2.236   4.705  10.748
  148   2HB   PRO  19          2HB       PRO  19   1.019   3.434  10.933
  149   1HG   PRO  19          1HG       PRO  19   3.481   3.901  12.485
  150   2HG   PRO  19          2HG       PRO  19   2.015   3.021  12.936
  151   1HD   PRO  19          1HD       PRO  19   4.505   1.902  12.076
  152   2HD   PRO  19          2HD       PRO  19   2.987   1.032  12.404
  153    H    LEU  20           H        LEU  20   2.669   3.905   7.418
  154    HA   LEU  20           HA       LEU  20   5.443   4.919   7.595
  155   1HB   LEU  20          1HB       LEU  20   4.069   4.905   4.976
  156   2HB   LEU  20          2HB       LEU  20   5.733   4.544   5.373
  157    HG   LEU  20           HG       LEU  20   3.350   2.696   5.589
  158   1HD1  LEU  20          1HD1      LEU  20   5.764   2.943   3.818
  159   2HD1  LEU  20          2HD1      LEU  20   5.049   1.356   4.099
  160   3HD1  LEU  20          3HD1      LEU  20   4.085   2.641   3.373
  161   1HD2  LEU  20          1HD2      LEU  20   6.029   2.630   6.873
  162   2HD2  LEU  20          2HD2      LEU  20   4.517   1.881   7.386
  163   3HD2  LEU  20          3HD2      LEU  20   5.492   1.126   6.125
  164    HA   PRO  21           HA       PRO  21   3.765   9.015   7.372
  165   1HB   PRO  21          1HB       PRO  21   5.976  10.378   6.514
  166   2HB   PRO  21          2HB       PRO  21   5.792   9.738   8.156
  167   1HG   PRO  21          1HG       PRO  21   7.496   8.761   5.947
  168   2HG   PRO  21          2HG       PRO  21   7.687   8.557   7.693
  169   1HD   PRO  21          1HD       PRO  21   6.682   6.628   5.848
  170   2HD   PRO  21          2HD       PRO  21   6.697   6.503   7.623
  171    H    GLN  22           H        GLN  22   2.562  10.120   5.915
  172    HA   GLN  22           HA       GLN  22   2.538   9.418   3.162
  173   1HB   GLN  22          1HB       GLN  22   0.602  10.353   4.538
  174   2HB   GLN  22          2HB       GLN  22   1.349  11.936   4.320
  175   1HG   GLN  22          1HG       GLN  22   1.373  10.905   1.750
  176   2HG   GLN  22          2HG       GLN  22  -0.149  10.293   2.395
  177   2HE2  GLN  22          2HE2      GLN  22   0.537  12.591   0.422
  178   1HE2  GLN  22          1HE2      GLN  22  -0.333  13.912   1.038
  179    H    VAL  23           H        VAL  23   4.531  11.574   4.918
  180    HA   VAL  23           HA       VAL  23   4.966  13.679   3.182
  181    HB   VAL  23           HB       VAL  23   5.925  13.525   5.451
  182   1HG1  VAL  23          1HG1      VAL  23   6.702  11.022   4.789
  183   2HG1  VAL  23          2HG1      VAL  23   8.212  11.884   4.500
  184   3HG1  VAL  23          3HG1      VAL  23   7.452  11.945   6.090
  185   1HG2  VAL  23          1HG2      VAL  23   6.894  15.064   3.728
  186   2HG2  VAL  23          2HG2      VAL  23   8.063  14.554   4.947
  187   3HG2  VAL  23          3HG2      VAL  23   8.082  13.819   3.344
  188    H    LEU  24           H        LEU  24   6.144  10.401   3.000
  189    HA   LEU  24           HA       LEU  24   7.707  11.049   0.583
  190   1HB   LEU  24          1HB       LEU  24   8.687   8.841   0.839
  191   2HB   LEU  24          2HB       LEU  24   8.868   9.766   2.315
  192    HG   LEU  24           HG       LEU  24   6.700   8.500   3.059
  193   1HD1  LEU  24          1HD1      LEU  24   7.275   7.284   0.491
  194   2HD1  LEU  24          2HD1      LEU  24   7.365   6.076   1.773
  195   3HD1  LEU  24          3HD1      LEU  24   5.896   7.028   1.558
  196   1HD2  LEU  24          1HD2      LEU  24   8.951   8.254   4.053
  197   2HD2  LEU  24          2HD2      LEU  24   8.107   6.707   3.972
  198   3HD2  LEU  24          3HD2      LEU  24   9.368   7.087   2.798
  199    H    LEU  25           H        LEU  25   5.000   9.223   1.819
  200    HA   LEU  25           HA       LEU  25   4.505   7.511  -0.332
  201   1HB   LEU  25          1HB       LEU  25   3.326   7.889   2.039
  202   2HB   LEU  25          2HB       LEU  25   2.175   8.736   1.032
  203    HG   LEU  25           HG       LEU  25   1.721   6.726  -0.237
  204   1HD1  LEU  25          1HD1      LEU  25   4.121   5.720   1.260
  205   2HD1  LEU  25          2HD1      LEU  25   2.878   4.572   0.760
  206   3HD1  LEU  25          3HD1      LEU  25   3.717   5.545  -0.449
  207   1HD2  LEU  25          1HD2      LEU  25   1.612   6.693   2.741
  208   2HD2  LEU  25          2HD2      LEU  25   0.298   6.613   1.568
  209   3HD2  LEU  25          3HD2      LEU  25   1.257   5.175   1.917
  210    H    SER  26           H        SER  26   3.064   7.606  -2.068
  211    HA   SER  26           HA       SER  26   2.589  10.351  -3.073
  212   1HB   SER  26          1HB       SER  26   4.136   8.487  -4.269
  213   2HB   SER  26          2HB       SER  26   2.581   8.097  -4.995
  214    HG   SER  26           HG       SER  26   3.416   9.680  -6.251
  215    H    SER  27           H        SER  27   1.319   7.093  -3.833
  216    HA   SER  27           HA       SER  27  -1.399   7.996  -3.212
  217   1HB   SER  27          1HB       SER  27  -2.292   7.559  -5.378
  218   2HB   SER  27          2HB       SER  27  -0.881   8.577  -5.637
  219    HG   SER  27           HG       SER  27  -1.342   5.949  -6.323
  220    H    TRP  28           H        TRP  28  -2.784   5.899  -4.385
  221    HA   TRP  28           HA       TRP  28  -1.539   3.383  -3.591
  222   1HB   TRP  28          1HB       TRP  28  -3.475   2.823  -2.077
  223   2HB   TRP  28          2HB       TRP  28  -2.398   4.065  -1.443
  224    HD1  TRP  28           HD1      TRP  28  -3.252   6.599  -1.506
  225    HE1  TRP  28           HE1      TRP  28  -5.626   7.597  -1.583
  226    HE3  TRP  28           HE3      TRP  28  -5.904   2.469  -2.948
  227    HZ2  TRP  28           HZ2      TRP  28  -8.293   6.754  -2.184
  228    HZ3  TRP  28           HZ3      TRP  28  -8.354   2.602  -3.268
  229    HH2  TRP  28           HH2      TRP  28  -9.553   4.737  -2.884
  230    H    TYR  29           H        TYR  29  -2.424   1.641  -4.632
  231    HA   TYR  29           HA       TYR  29  -4.842   2.175  -6.243
  232   1HB   TYR  29          1HB       TYR  29  -3.959   0.887  -8.075
  233   2HB   TYR  29          2HB       TYR  29  -2.772   2.110  -7.642
  234    HD1  TYR  29           HD1      TYR  29  -0.812   1.406  -6.108
  235    HD2  TYR  29           HD2      TYR  29  -3.403  -1.397  -8.081
  236    HE1  TYR  29           HE1      TYR  29   0.891  -0.369  -5.827
  237    HE2  TYR  29           HE2      TYR  29  -1.697  -3.173  -7.796
  238    HH   TYR  29           HH       TYR  29   1.264  -2.824  -7.377
  239    HA   PRO  30           HA       PRO  30  -6.273  -1.466  -4.131
  240   1HB   PRO  30          1HB       PRO  30  -8.634  -1.793  -5.463
  241   2HB   PRO  30          2HB       PRO  30  -8.360  -0.547  -4.236
  242   1HG   PRO  30          1HG       PRO  30  -8.577  -0.275  -7.172
  243   2HG   PRO  30          2HG       PRO  30  -8.888   0.919  -5.903
  244   1HD   PRO  30          1HD       PRO  30  -6.562   0.734  -7.538
  245   2HD   PRO  30          2HD       PRO  30  -6.795   1.794  -6.129
  246    H    THR  31           H        THR  31  -6.500  -3.700  -4.389
  247    HA   THR  31           HA       THR  31  -5.613  -4.745  -7.000
  248    HB   THR  31           HB       THR  31  -4.169  -5.406  -5.185
  249    HG1  THR  31           HG1      THR  31  -4.457  -7.668  -5.306
  250   1HG2  THR  31          1HG2      THR  31  -6.765  -5.858  -3.814
  251   2HG2  THR  31          2HG2      THR  31  -5.461  -6.980  -3.428
  252   3HG2  THR  31          3HG2      THR  31  -5.241  -5.250  -3.169
  253    H    SER  32           H        SER  32  -6.445  -7.125  -7.291
  254    HA   SER  32           HA       SER  32  -9.240  -6.958  -7.771
  255   1HB   SER  32          1HB       SER  32  -7.952  -9.634  -7.671
  256   2HB   SER  32          2HB       SER  32  -9.007  -8.935  -8.895
  257    HG   SER  32           HG       SER  32  -6.266  -8.856  -8.643
  258    H    GLN  33           H        GLN  33 -10.968  -7.983  -6.783
  259    HA   GLN  33           HA       GLN  33 -10.502  -8.766  -3.991
  260   1HB   GLN  33          1HB       GLN  33 -12.989  -8.468  -3.798
  261   2HB   GLN  33          2HB       GLN  33 -12.108  -6.997  -4.190
  262   1HG   GLN  33          1HG       GLN  33 -12.971  -6.890  -6.316
  263   2HG   GLN  33          2HG       GLN  33 -13.063  -8.642  -6.480
  264   2HE2  GLN  33          2HE2      GLN  33 -15.309  -8.683  -7.113
  265   1HE2  GLN  33          1HE2      GLN  33 -16.555  -8.257  -6.042
  266    H    LEU  34           H        LEU  34 -10.057 -10.531  -6.362
  267    HA   LEU  34           HA       LEU  34 -11.989 -12.660  -5.655
  268   1HB   LEU  34          1HB       LEU  34 -10.480 -12.502  -8.254
  269   2HB   LEU  34          2HB       LEU  34 -11.827 -13.543  -7.854
  270    HG   LEU  34           HG       LEU  34 -12.687 -11.901  -9.325
  271   1HD1  LEU  34          1HD1      LEU  34 -13.839 -12.280  -6.971
  272   2HD1  LEU  34          2HD1      LEU  34 -13.413 -10.586  -6.733
  273   3HD1  LEU  34          3HD1      LEU  34 -14.451 -11.053  -8.080
  274   1HD2  LEU  34          1HD2      LEU  34 -10.618 -10.365  -8.744
  275   2HD2  LEU  34          2HD2      LEU  34 -12.113  -9.647  -9.343
  276   3HD2  LEU  34          3HD2      LEU  34 -11.751  -9.619  -7.617
  277    H    CYS  35           H        CYS  35  -9.776 -12.259  -4.088
  278    HA   CYS  35           HA       CYS  35  -8.112 -14.607  -4.769
  279   1HB   CYS  35          1HB       CYS  35  -7.191 -11.924  -3.738
  280   2HB   CYS  35          2HB       CYS  35  -6.190 -13.373  -3.698
  281    H    SER  36           H        SER  36 -10.344 -13.526  -2.659
  282    HA   SER  36           HA       SER  36 -10.908 -14.018  -0.497
  283   1HB   SER  36          1HB       SER  36 -10.381 -16.148   0.297
  284   2HB   SER  36          2HB       SER  36 -10.216 -16.341  -1.444
  285    HG   SER  36           HG       SER  36  -8.421 -16.875   0.336
  286    H    LYS  37           H        LYS  37  -8.471 -12.253  -1.183
  287    HA   LYS  37           HA       LYS  37  -7.810 -11.566   1.492
  288   1HB   LYS  37          1HB       LYS  37  -6.109 -13.539   0.196
  289   2HB   LYS  37          2HB       LYS  37  -5.199 -12.076   0.562
  290   1HG   LYS  37          1HG       LYS  37  -6.927 -13.569   2.557
  291   2HG   LYS  37          2HG       LYS  37  -5.171 -13.708   2.444
  292   1HD   LYS  37          1HD       LYS  37  -5.379 -11.025   2.577
  293   2HD   LYS  37          2HD       LYS  37  -6.831 -11.465   3.477
  294   1HE   LYS  37          1HE       LYS  37  -4.030 -12.476   4.055
  295   2HE   LYS  37          2HE       LYS  37  -4.890 -11.250   4.986
  296   1HZ   LYS  37          1HZ       LYS  37  -6.604 -12.877   5.481
  297   2HZ   LYS  37          2HZ       LYS  37  -5.773 -14.057   4.586
  298   3HZ   LYS  37          3HZ       LYS  37  -5.089 -13.426   6.007
  299    HA   PRO  38           HA       PRO  38  -7.067  -8.482  -1.927
  300   1HB   PRO  38          1HB       PRO  38  -9.199  -6.845  -1.453
  301   2HB   PRO  38          2HB       PRO  38  -9.255  -8.246  -2.531
  302   1HG   PRO  38          1HG       PRO  38 -10.428  -7.906   0.161
  303   2HG   PRO  38          2HG       PRO  38 -10.914  -8.987  -1.153
  304   1HD   PRO  38          1HD       PRO  38  -9.412  -9.687   1.166
  305   2HD   PRO  38          2HD       PRO  38  -9.734 -10.715  -0.250
  306    H    GLY  39           H        GLY  39  -7.468  -5.868  -1.553
  307   1HA   GLY  39          1HA       GLY  39  -5.685  -5.214   0.647
  308   2HA   GLY  39          2HA       GLY  39  -7.300  -4.513   0.763
  309    H    VAL  40           H        VAL  40  -4.619  -3.248   0.322
  310    HA   VAL  40           HA       VAL  40  -4.795  -2.257  -2.415
  311    HB   VAL  40           HB       VAL  40  -4.985  -0.298  -0.115
  312   1HG1  VAL  40          1HG1      VAL  40  -4.016   0.101  -2.616
  313   2HG1  VAL  40          2HG1      VAL  40  -5.729   0.395  -2.898
  314   3HG1  VAL  40          3HG1      VAL  40  -4.859   1.340  -1.692
  315   1HG2  VAL  40          1HG2      VAL  40  -7.114  -1.392  -1.970
  316   2HG2  VAL  40          2HG2      VAL  40  -7.093  -1.469  -0.208
  317   3HG2  VAL  40          3HG2      VAL  40  -7.314   0.081  -1.020
  318    H    ILE  41           H        ILE  41  -2.903  -1.524  -3.183
  319    HA   ILE  41           HA       ILE  41  -0.581  -1.693  -1.384
  320    HB   ILE  41           HB       ILE  41  -0.891  -1.914  -4.383
  321   1HG1  ILE  41          1HG1      ILE  41   0.326  -4.103  -3.834
  322   2HG1  ILE  41          2HG1      ILE  41  -0.019  -3.736  -2.144
  323   1HG2  ILE  41          1HG2      ILE  41   1.158  -0.582  -3.874
  324   2HG2  ILE  41          2HG2      ILE  41   1.707  -1.880  -2.814
  325   3HG2  ILE  41          3HG2      ILE  41   1.542  -2.167  -4.545
  326   1HD1  ILE  41          1HD1      ILE  41  -2.277  -3.568  -4.093
  327   2HD1  ILE  41          2HD1      ILE  41  -1.715  -5.172  -3.618
  328   3HD1  ILE  41          3HD1      ILE  41  -2.294  -4.043  -2.394
  329    H    PHE  42           H        PHE  42   0.701   0.038  -1.011
  330    HA   PHE  42           HA       PHE  42  -0.229   2.627  -2.055
  331   1HB   PHE  42          1HB       PHE  42   1.094   1.723   0.439
  332   2HB   PHE  42          2HB       PHE  42   1.628   3.282  -0.185
  333    HD1  PHE  42           HD1      PHE  42  -1.258   1.359   1.088
  334    HD2  PHE  42           HD2      PHE  42   0.133   5.185  -0.279
  335    HE1  PHE  42           HE1      PHE  42  -3.317   2.424   1.971
  336    HE2  PHE  42           HE2      PHE  42  -1.925   6.249   0.602
  337    HZ   PHE  42           HZ       PHE  42  -3.649   4.870   1.730
  338    H    LEU  43           H        LEU  43   0.873   3.618  -3.594
  339    HA   LEU  43           HA       LEU  43   3.592   2.690  -4.235
  340   1HB   LEU  43          1HB       LEU  43   1.796   4.537  -5.802
  341   2HB   LEU  43          2HB       LEU  43   3.305   3.840  -6.347
  342    HG   LEU  43           HG       LEU  43   1.130   1.963  -5.544
  343   1HD1  LEU  43          1HD1      LEU  43   1.168   3.570  -8.116
  344   2HD1  LEU  43          2HD1      LEU  43   0.171   2.142  -7.845
  345   3HD1  LEU  43          3HD1      LEU  43  -0.091   3.596  -6.883
  346   1HD2  LEU  43          1HD2      LEU  43   3.569   1.510  -6.451
  347   2HD2  LEU  43          2HD2      LEU  43   2.221   0.525  -7.020
  348   3HD2  LEU  43          3HD2      LEU  43   2.831   1.846  -8.016
  349    H    THR  44           H        THR  44   4.980   3.750  -2.892
  350    HA   THR  44           HA       THR  44   4.656   6.402  -1.976
  351    HB   THR  44           HB       THR  44   7.043   6.254  -1.351
  352    HG1  THR  44           HG1      THR  44   7.507   4.950  -3.352
  353   1HG2  THR  44          1HG2      THR  44   5.117   4.038  -0.811
  354   2HG2  THR  44          2HG2      THR  44   6.768   3.867  -0.217
  355   3HG2  THR  44          3HG2      THR  44   5.785   5.237   0.293
  356    H    LYS  45           H        LYS  45   6.326   8.156  -2.474
  357    HA   LYS  45           HA       LYS  45   6.018   8.982  -5.153
  358   1HB   LYS  45          1HB       LYS  45   7.766   9.925  -2.893
  359   2HB   LYS  45          2HB       LYS  45   7.895  10.640  -4.501
  360   1HG   LYS  45          1HG       LYS  45   5.794  11.591  -4.403
  361   2HG   LYS  45          2HG       LYS  45   5.162  10.337  -3.336
  362   1HD   LYS  45          1HD       LYS  45   5.375  11.917  -1.714
  363   2HD   LYS  45          2HD       LYS  45   7.080  11.466  -1.739
  364   1HE   LYS  45          1HE       LYS  45   7.318  13.219  -3.624
  365   2HE   LYS  45          2HE       LYS  45   5.742  13.807  -3.096
  366   1HZ   LYS  45          1HZ       LYS  45   6.706  13.933  -0.813
  367   2HZ   LYS  45          2HZ       LYS  45   8.231  13.626  -1.497
  368   3HZ   LYS  45          3HZ       LYS  45   7.378  15.027  -1.926
  369    H    ARG  46           H        ARG  46   8.984   7.975  -3.444
  370    HA   ARG  46           HA       ARG  46  10.033   7.007  -6.036
  371   1HB   ARG  46          1HB       ARG  46  11.096   9.158  -5.268
  372   2HB   ARG  46          2HB       ARG  46  11.703   8.274  -3.866
  373   1HG   ARG  46          1HG       ARG  46  13.113   6.925  -5.162
  374   2HG   ARG  46          2HG       ARG  46  12.188   7.210  -6.637
  375   1HD   ARG  46          1HD       ARG  46  12.906   9.698  -6.310
  376   2HD   ARG  46          2HD       ARG  46  14.150   9.026  -5.261
  377    HE   ARG  46           HE       ARG  46  14.036   7.725  -7.830
  378   1HH1  ARG  46          1HH1      ARG  46  15.284  10.491  -6.085
  379   2HH1  ARG  46          2HH1      ARG  46  16.609  10.722  -7.172
  380   1HH2  ARG  46          1HH2      ARG  46  15.778   8.062  -9.223
  381   2HH2  ARG  46          2HH2      ARG  46  16.888   9.359  -8.934
  382    H    GLY  47           H        GLY  47   9.081   6.063  -2.987
  383   1HA   GLY  47          1HA       GLY  47   9.625   4.320  -1.583
  384   2HA   GLY  47          2HA       GLY  47  11.211   4.257  -2.343
  385    H    ARG  48           H        ARG  48   8.300   2.690  -1.953
  386    HA   ARG  48           HA       ARG  48   8.307   1.271  -4.500
  387   1HB   ARG  48          1HB       ARG  48   9.516   0.174  -2.035
  388   2HB   ARG  48          2HB       ARG  48   8.381  -0.903  -2.845
  389   1HG   ARG  48          1HG       ARG  48   9.609  -0.642  -4.957
  390   2HG   ARG  48          2HG       ARG  48  10.729   0.477  -4.179
  391   1HD   ARG  48          1HD       ARG  48  11.795  -1.187  -3.001
  392   2HD   ARG  48          2HD       ARG  48  10.347  -2.181  -2.889
  393    HE   ARG  48           HE       ARG  48  11.345  -1.983  -5.582
  394   1HH1  ARG  48          1HH1      ARG  48  11.720  -3.643  -2.524
  395   2HH1  ARG  48          2HH1      ARG  48  12.403  -5.057  -3.245
  396   1HH2  ARG  48          1HH2      ARG  48  12.240  -3.848  -6.483
  397   2HH2  ARG  48          2HH2      ARG  48  12.696  -5.175  -5.468
  398    H    GLN  49           H        GLN  49   6.777  -0.847  -3.985
  399    HA   GLN  49           HA       GLN  49   4.213   0.325  -3.349
  400   1HB   GLN  49          1HB       GLN  49   5.171  -2.311  -4.392
  401   2HB   GLN  49          2HB       GLN  49   3.555  -2.213  -3.694
  402   1HG   GLN  49          1HG       GLN  49   2.788  -0.745  -5.328
  403   2HG   GLN  49          2HG       GLN  49   4.405  -0.135  -5.682
  404   2HE2  GLN  49          2HE2      GLN  49   5.877  -2.373  -6.262
  405   1HE2  GLN  49          1HE2      GLN  49   5.197  -3.231  -7.559
  406    H    VAL  50           H        VAL  50   2.743  -0.564  -1.750
  407    HA   VAL  50           HA       VAL  50   3.921  -2.182   0.383
  408    HB   VAL  50           HB       VAL  50   2.829   0.596   0.897
  409   1HG1  VAL  50          1HG1      VAL  50   3.472  -1.736   2.638
  410   2HG1  VAL  50          2HG1      VAL  50   3.974  -0.147   3.218
  411   3HG1  VAL  50          3HG1      VAL  50   2.275  -0.461   2.865
  412   1HG2  VAL  50          1HG2      VAL  50   5.619  -0.575   1.063
  413   2HG2  VAL  50          2HG2      VAL  50   5.074   0.711  -0.012
  414   3HG2  VAL  50          3HG2      VAL  50   5.169   0.995   1.726
  415    H    CYS  51           H        CYS  51   2.463  -3.712   0.734
  416    HA   CYS  51           HA       CYS  51  -0.318  -3.425   0.069
  417   1HB   CYS  51          1HB       CYS  51   1.230  -5.550   1.568
  418   2HB   CYS  51          2HB       CYS  51  -0.507  -5.648   1.288
  419    H    ALA  52           H        ALA  52  -1.806  -2.420   1.288
  420    HA   ALA  52           HA       ALA  52  -1.436  -2.446   4.224
  421   1HB   ALA  52          1HB       ALA  52  -0.865  -0.223   2.892
  422   2HB   ALA  52          2HB       ALA  52  -2.617  -0.025   2.948
  423   3HB   ALA  52          3HB       ALA  52  -1.698  -0.174   4.445
  424    H    ASP  53           H        ASP  53  -3.232  -2.692   5.426
  425    HA   ASP  53           HA       ASP  53  -5.712  -3.332   3.991
  426   1HB   ASP  53          1HB       ASP  53  -4.548  -4.057   6.636
  427   2HB   ASP  53          2HB       ASP  53  -6.305  -3.945   6.535
  428    H    LYS  54           H        LYS  54  -7.429  -2.022   4.020
  429    HA   LYS  54           HA       LYS  54  -7.305   0.607   4.994
  430   1HB   LYS  54          1HB       LYS  54  -9.775  -1.035   4.372
  431   2HB   LYS  54          2HB       LYS  54  -9.711   0.723   4.512
  432   1HG   LYS  54          1HG       LYS  54  -8.202   0.875   2.616
  433   2HG   LYS  54          2HG       LYS  54  -8.078  -0.881   2.526
  434   1HD   LYS  54          1HD       LYS  54 -10.581  -0.944   2.156
  435   2HD   LYS  54          2HD       LYS  54 -10.531   0.812   1.999
  436   1HE   LYS  54          1HE       LYS  54  -8.853   0.558   0.164
  437   2HE   LYS  54          2HE       LYS  54  -9.048  -1.191   0.274
  438   1HZ   LYS  54          1HZ       LYS  54 -11.409   0.530  -0.074
  439   2HZ   LYS  54          2HZ       LYS  54 -10.447   0.138  -1.418
  440   3HZ   LYS  54          3HZ       LYS  54 -11.192  -1.093  -0.515
  441    H    SER  55           H        SER  55  -8.286  -2.361   6.540
  442    HA   SER  55           HA       SER  55  -9.895  -1.404   8.612
  443   1HB   SER  55          1HB       SER  55  -8.220  -3.792   8.171
  444   2HB   SER  55          2HB       SER  55  -8.555  -3.409   9.856
  445    HG   SER  55           HG       SER  55 -10.440  -4.245   9.491
  446    H    LYS  56           H        LYS  56  -6.439  -1.200   8.155
  447    HA   LYS  56           HA       LYS  56  -5.632  -0.684  10.804
  448   1HB   LYS  56          1HB       LYS  56  -4.442   0.443   8.258
  449   2HB   LYS  56          2HB       LYS  56  -3.642   0.331   9.825
  450   1HG   LYS  56          1HG       LYS  56  -4.794  -2.185   8.726
  451   2HG   LYS  56          2HG       LYS  56  -3.352  -1.555   7.929
  452   1HD   LYS  56          1HD       LYS  56  -2.016  -1.894   9.769
  453   2HD   LYS  56          2HD       LYS  56  -3.332  -1.609  10.908
  454   1HE   LYS  56          1HE       LYS  56  -4.324  -3.812  10.196
  455   2HE   LYS  56          2HE       LYS  56  -2.864  -4.103   9.252
  456   1HZ   LYS  56          1HZ       LYS  56  -2.867  -3.523  12.162
  457   2HZ   LYS  56          2HZ       LYS  56  -2.827  -5.088  11.511
  458   3HZ   LYS  56          3HZ       LYS  56  -1.544  -4.014  11.215
  459    H    ASP  57           H        ASP  57  -4.455   1.677  11.054
  460    HA   ASP  57           HA       ASP  57  -6.694   3.602  10.885
  461   1HB   ASP  57          1HB       ASP  57  -5.545   4.766  12.778
  462   2HB   ASP  57          2HB       ASP  57  -6.093   3.139  13.182
  463    H    TRP  58           H        TRP  58  -3.173   3.275  10.578
  464    HA   TRP  58           HA       TRP  58  -2.797   5.956   9.650
  465   1HB   TRP  58          1HB       TRP  58  -0.523   5.226   9.045
  466   2HB   TRP  58          2HB       TRP  58  -0.945   4.770  10.692
  467    HD1  TRP  58           HD1      TRP  58  -1.383   2.187  11.190
  468    HE1  TRP  58           HE1      TRP  58  -0.638   0.060   9.940
  469    HE3  TRP  58           HE3      TRP  58  -0.082   4.215   6.692
  470    HZ2  TRP  58           HZ2      TRP  58   0.380  -0.686   7.360
  471    HZ3  TRP  58           HZ3      TRP  58   0.775   2.781   4.864
  472    HH2  TRP  58           HH2      TRP  58   1.005   0.339   5.192
  473    H    VAL  59           H        VAL  59  -3.618   2.936   8.128
  474    HA   VAL  59           HA       VAL  59  -2.931   3.755   5.458
  475    HB   VAL  59           HB       VAL  59  -4.853   1.586   6.331
  476   1HG1  VAL  59          1HG1      VAL  59  -4.768   2.471   3.883
  477   2HG1  VAL  59          2HG1      VAL  59  -3.194   1.678   3.815
  478   3HG1  VAL  59          3HG1      VAL  59  -4.644   0.731   4.143
  479   1HG2  VAL  59          1HG2      VAL  59  -2.560   1.384   7.322
  480   2HG2  VAL  59          2HG2      VAL  59  -2.942   0.081   6.196
  481   3HG2  VAL  59          3HG2      VAL  59  -1.894   1.406   5.689
  482    H    LYS  60           H        LYS  60  -5.757   3.919   7.523
  483    HA   LYS  60           HA       LYS  60  -7.654   4.626   5.534
  484   1HB   LYS  60          1HB       LYS  60  -8.076   3.891   7.971
  485   2HB   LYS  60          2HB       LYS  60  -7.773   5.578   8.390
  486   1HG   LYS  60          1HG       LYS  60  -9.551   6.299   6.854
  487   2HG   LYS  60          2HG       LYS  60  -9.844   4.622   6.391
  488   1HD   LYS  60          1HD       LYS  60 -10.530   4.058   8.648
  489   2HD   LYS  60          2HD       LYS  60 -10.083   5.663   9.228
  490   1HE   LYS  60          1HE       LYS  60 -12.357   5.970   8.914
  491   2HE   LYS  60          2HE       LYS  60 -11.761   6.445   7.322
  492   1HZ   LYS  60          1HZ       LYS  60 -12.091   4.081   6.645
  493   2HZ   LYS  60          2HZ       LYS  60 -12.891   3.822   8.121
  494   3HZ   LYS  60          3HZ       LYS  60 -13.522   4.922   6.990
  495    H    LYS  61           H        LYS  61  -5.541   6.530   7.649
  496    HA   LYS  61           HA       LYS  61  -6.497   9.084   6.920
  497   1HB   LYS  61          1HB       LYS  61  -4.786   8.314   8.791
  498   2HB   LYS  61          2HB       LYS  61  -3.599   8.695   7.542
  499   1HG   LYS  61          1HG       LYS  61  -4.247  10.955   7.440
  500   2HG   LYS  61          2HG       LYS  61  -5.803  10.639   8.208
  501   1HD   LYS  61          1HD       LYS  61  -3.323  10.008   9.755
  502   2HD   LYS  61          2HD       LYS  61  -3.785  11.702   9.583
  503   1HE   LYS  61          1HE       LYS  61  -5.909   9.743  10.349
  504   2HE   LYS  61          2HE       LYS  61  -4.736  10.215  11.578
  505   1HZ   LYS  61          1HZ       LYS  61  -6.305  12.128   9.938
  506   2HZ   LYS  61          2HZ       LYS  61  -6.722  11.651  11.514
  507   3HZ   LYS  61          3HZ       LYS  61  -5.282  12.505  11.241
  508    H    LEU  62           H        LEU  62  -3.911   7.060   5.575
  509    HA   LEU  62           HA       LEU  62  -2.941   8.904   3.672
  510   1HB   LEU  62          1HB       LEU  62  -3.063   5.897   3.491
  511   2HB   LEU  62          2HB       LEU  62  -2.103   6.935   2.462
  512    HG   LEU  62           HG       LEU  62  -1.712   6.922   5.445
  513   1HD1  LEU  62          1HD1      LEU  62  -0.965   4.875   3.421
  514   2HD1  LEU  62          2HD1      LEU  62   0.294   5.349   4.562
  515   3HD1  LEU  62          3HD1      LEU  62  -1.234   4.701   5.154
  516   1HD2  LEU  62          1HD2      LEU  62  -0.268   7.882   3.005
  517   2HD2  LEU  62          2HD2      LEU  62  -0.470   8.672   4.568
  518   3HD2  LEU  62          3HD2      LEU  62   0.695   7.362   4.387
  519    H    MET  63           H        MET  63  -5.428   6.405   3.480
  520    HA   MET  63           HA       MET  63  -6.126   6.550   0.800
  521   1HB   MET  63          1HB       MET  63  -7.783   6.033   3.260
  522   2HB   MET  63          2HB       MET  63  -8.490   5.998   1.646
  523   1HG   MET  63          1HG       MET  63  -6.315   4.459   1.204
  524   2HG   MET  63          2HG       MET  63  -6.567   4.115   2.915
  525   1HE   MET  63          1HE       MET  63  -7.056   3.526  -0.391
  526   2HE   MET  63          2HE       MET  63  -7.250   1.846   0.099
  527   3HE   MET  63          3HE       MET  63  -8.571   2.692  -0.720
  528    H    GLN  64           H        GLN  64  -7.067   8.670   3.452
  529    HA   GLN  64           HA       GLN  64  -8.820  10.253   1.746
  530   1HB   GLN  64          1HB       GLN  64  -8.018  10.388   4.645
  531   2HB   GLN  64          2HB       GLN  64  -8.869  11.726   3.873
  532   1HG   GLN  64          1HG       GLN  64 -10.645  10.122   3.149
  533   2HG   GLN  64          2HG       GLN  64  -9.822   8.854   4.058
  534   2HE2  GLN  64          2HE2      GLN  64 -12.199  11.263   4.312
  535   1HE2  GLN  64          1HE2      GLN  64 -12.273  11.354   6.006
  536    H    GLN  65           H        GLN  65  -5.580  10.387   3.074
  537    HA   GLN  65           HA       GLN  65  -5.094  13.138   2.480
  538   1HB   GLN  65          1HB       GLN  65  -3.407  10.791   3.242
  539   2HB   GLN  65          2HB       GLN  65  -2.624  12.237   2.607
  540   1HG   GLN  65          1HG       GLN  65  -4.702  12.722   4.664
  541   2HG   GLN  65          2HG       GLN  65  -3.252  11.899   5.232
  542   2HE2  GLN  65          2HE2      GLN  65  -4.165  14.749   3.214
  543   1HE2  GLN  65          1HE2      GLN  65  -2.871  15.714   3.741
  544    H    LEU  66           H        LEU  66  -4.637  10.106   0.756
  545    HA   LEU  66           HA       LEU  66  -3.639  11.613  -1.588
  546   1HB   LEU  66          1HB       LEU  66  -3.487   8.637  -1.299
  547   2HB   LEU  66          2HB       LEU  66  -2.530   9.691  -2.316
  548    HG   LEU  66           HG       LEU  66  -2.328   9.606   0.703
  549   1HD1  LEU  66          1HD1      LEU  66  -1.608   7.553  -0.881
  550   2HD1  LEU  66          2HD1      LEU  66  -0.174   8.563  -1.071
  551   3HD1  LEU  66          3HD1      LEU  66  -0.667   8.025   0.534
  552   1HD2  LEU  66          1HD2      LEU  66  -0.891  11.046  -1.517
  553   2HD2  LEU  66          2HD2      LEU  66  -1.481  11.683   0.018
  554   3HD2  LEU  66          3HD2      LEU  66  -0.040  10.667  -0.018
  555    HA   PRO  67           HA       PRO  67  -7.461  10.527  -3.521
  556   1HB   PRO  67          1HB       PRO  67  -6.762  10.820  -6.154
  557   2HB   PRO  67          2HB       PRO  67  -7.058  12.175  -5.055
  558   1HG   PRO  67          1HG       PRO  67  -4.488  11.127  -6.101
  559   2HG   PRO  67          2HG       PRO  67  -4.912  12.766  -5.585
  560   1HD   PRO  67          1HD       PRO  67  -3.434  10.886  -4.082
  561   2HD   PRO  67          2HD       PRO  67  -4.155  12.389  -3.460
  562    H    VAL  68           H        VAL  68  -5.316   9.309  -6.074
  563    HA   VAL  68           HA       VAL  68  -5.142   6.639  -5.369
  564    HB   VAL  68           HB       VAL  68  -7.821   7.202  -5.822
  565   1HG1  VAL  68          1HG1      VAL  68  -7.488   7.452  -8.255
  566   2HG1  VAL  68          2HG1      VAL  68  -6.781   5.838  -8.319
  567   3HG1  VAL  68          3HG1      VAL  68  -8.477   6.040  -7.878
  568   1HG2  VAL  68          1HG2      VAL  68  -6.487   5.187  -4.806
  569   2HG2  VAL  68          2HG2      VAL  68  -8.125   4.938  -5.412
  570   3HG2  VAL  68          3HG2      VAL  68  -6.739   4.468  -6.396
  571    H    THR  69           H        THR  69  -4.630   5.223  -7.293
  572    HA   THR  69           HA       THR  69  -2.719   6.507  -8.928
  573    HB   THR  69           HB       THR  69  -3.111   4.231 -10.291
  574    HG1  THR  69           HG1      THR  69  -4.976   3.712  -9.089
  575   1HG2  THR  69          1HG2      THR  69  -1.130   4.989  -8.894
  576   2HG2  THR  69          2HG2      THR  69  -1.914   4.220  -7.514
  577   3HG2  THR  69          3HG2      THR  69  -1.423   3.249  -8.901
  578    H    ALA  70           H        ALA  70  -2.713   6.968 -11.138
  579    HA   ALA  70           HA       ALA  70  -5.115   6.692 -12.725
  580   1HB   ALA  70          1HB       ALA  70  -5.207   9.207 -13.160
  581   2HB   ALA  70          2HB       ALA  70  -5.839   8.661 -11.607
  582   3HB   ALA  70          3HB       ALA  70  -4.237   9.392 -11.700
  583    H    ARG  71           H        ARG  71  -4.791   7.882 -14.883
  584    HA   ARG  71           HA       ARG  71  -1.975   7.502 -15.699
  585   1HB   ARG  71          1HB       ARG  71  -4.517   7.367 -17.340
  586   2HB   ARG  71          2HB       ARG  71  -2.885   7.175 -17.982
  587   1HG   ARG  71          1HG       ARG  71  -3.361   4.956 -17.602
  588   2HG   ARG  71          2HG       ARG  71  -2.753   5.370 -15.999
  589   1HD   ARG  71          1HD       ARG  71  -5.314   6.093 -15.660
  590   2HD   ARG  71          2HD       ARG  71  -5.549   4.863 -16.896
  591    HE   ARG  71           HE       ARG  71  -3.856   3.981 -14.729
  592   1HH1  ARG  71          1HH1      ARG  71  -7.165   4.365 -15.810
  593   2HH1  ARG  71          2HH1      ARG  71  -7.767   3.123 -14.768
  594   1HH2  ARG  71          1HH2      ARG  71  -4.684   2.369 -13.388
  595   2HH2  ARG  71          2HH2      ARG  71  -6.377   2.001 -13.408

  No H/Q in entry =         595
  Start of MODEL    6
    1    H1   LEU   1           H1       LEU   1   3.972 -32.156  -6.394
    2    H2   LEU   1           H2       LEU   1   5.315 -32.296  -5.366
    3    H3   LEU   1           H3       LEU   1   3.915 -33.211  -5.063
    4    HA   LEU   1           HA       LEU   1   2.719 -31.419  -4.286
    5   1HB   LEU   1          1HB       LEU   1   5.623 -30.919  -3.566
    6   2HB   LEU   1          2HB       LEU   1   4.242 -30.237  -2.707
    7    HG   LEU   1           HG       LEU   1   4.483 -33.211  -3.125
    8   1HD1  LEU   1          1HD1      LEU   1   6.495 -31.937  -1.902
    9   2HD1  LEU   1          2HD1      LEU   1   5.361 -31.981  -0.551
   10   3HD1  LEU   1          3HD1      LEU   1   5.883 -33.483  -1.313
   11   1HD2  LEU   1          1HD2      LEU   1   2.917 -31.317  -1.403
   12   2HD2  LEU   1          2HD2      LEU   1   2.358 -32.727  -2.305
   13   3HD2  LEU   1          3HD2      LEU   1   3.248 -32.940  -0.797
   14    H    GLY   2           H        GLY   2   1.940 -29.426  -4.709
   15   1HA   GLY   2          1HA       GLY   2   3.357 -27.826  -6.740
   16   2HA   GLY   2          2HA       GLY   2   2.837 -27.046  -5.249
   17    H    ALA   3           H        ALA   3   1.649 -28.937  -8.011
   18    HA   ALA   3           HA       ALA   3  -0.335 -28.876  -9.172
   19   1HB   ALA   3          1HB       ALA   3  -2.323 -28.928  -7.948
   20   2HB   ALA   3          2HB       ALA   3  -1.135 -29.472  -6.764
   21   3HB   ALA   3          3HB       ALA   3  -1.717 -27.808  -6.729
   22    H    SER   4           H        SER   4   0.342 -27.179 -10.519
   23    HA   SER   4           HA       SER   4   0.152 -25.126 -11.538
   24   1HB   SER   4          1HB       SER   4  -2.101 -24.373  -9.719
   25   2HB   SER   4          2HB       SER   4  -1.903 -24.062 -11.442
   26    HG   SER   4           HG       SER   4  -3.313 -25.703 -11.399
   27    H    TRP   5           H        TRP   5  -0.105 -22.655 -10.945
   28    HA   TRP   5           HA       TRP   5   1.469 -22.187  -8.480
   29   1HB   TRP   5          1HB       TRP   5   2.455 -20.227  -9.685
   30   2HB   TRP   5          2HB       TRP   5   2.883 -21.780 -10.399
   31    HD1  TRP   5           HD1      TRP   5   1.611 -22.483 -12.668
   32    HE1  TRP   5           HE1      TRP   5   0.528 -21.039 -14.510
   33    HE3  TRP   5           HE3      TRP   5   1.190 -18.045 -10.176
   34    HZ2  TRP   5           HZ2      TRP   5  -0.393 -18.356 -14.876
   35    HZ3  TRP   5           HZ3      TRP   5   0.208 -16.064 -11.293
   36    HH2  TRP   5           HH2      TRP   5  -0.583 -16.213 -13.638
   37    H    HIS   6           H        HIS   6   0.264 -21.201  -7.010
   38    HA   HIS   6           HA       HIS   6  -1.877 -19.375  -7.889
   39   1HB   HIS   6          1HB       HIS   6  -1.421 -21.029  -5.441
   40   2HB   HIS   6          2HB       HIS   6  -2.372 -19.550  -5.295
   41    HD1  HIS   6           HD1      HIS   6  -4.475 -19.367  -6.988
   42    HD2  HIS   6           HD2      HIS   6  -2.811 -23.164  -6.561
   43    HE1  HIS   6           HE1      HIS   6  -6.185 -21.003  -7.889
   44    H    ARG   7           H        ARG   7  -2.257 -17.532  -6.255
   45    HA   ARG   7           HA       ARG   7  -1.532 -15.530  -5.386
   46   1HB   ARG   7          1HB       ARG   7  -0.525 -17.072  -3.673
   47   2HB   ARG   7          2HB       ARG   7   0.970 -17.044  -4.609
   48   1HG   ARG   7          1HG       ARG   7   1.128 -14.618  -4.351
   49   2HG   ARG   7          2HG       ARG   7  -0.414 -14.586  -3.497
   50   1HD   ARG   7          1HD       ARG   7   0.644 -16.203  -1.823
   51   2HD   ARG   7          2HD       ARG   7   2.186 -15.826  -2.585
   52    HE   ARG   7           HE       ARG   7   0.673 -14.115  -0.814
   53   1HH1  ARG   7          1HH1      ARG   7   3.031 -14.207  -3.399
   54   2HH1  ARG   7          2HH1      ARG   7   3.716 -12.674  -2.981
   55   1HH2  ARG   7          1HH2      ARG   7   1.595 -12.122  -0.303
   56   2HH2  ARG   7          2HH2      ARG   7   2.911 -11.503  -1.243
   57    HA   PRO   8           HA       PRO   8   1.155 -14.663  -9.003
   58   1HB   PRO   8          1HB       PRO   8  -0.375 -12.640 -10.016
   59   2HB   PRO   8          2HB       PRO   8  -0.650 -14.351 -10.372
   60   1HG   PRO   8          1HG       PRO   8  -2.202 -12.522  -8.644
   61   2HG   PRO   8          2HG       PRO   8  -2.720 -13.991  -9.482
   62   1HD   PRO   8          1HD       PRO   8  -2.083 -13.744  -6.718
   63   2HD   PRO   8          2HD       PRO   8  -2.395 -15.252  -7.610
   64    H    ASP   9           H        ASP   9   1.565 -12.139  -9.876
   65    HA   ASP   9           HA       ASP   9   2.782 -10.849  -7.547
   66   1HB   ASP   9          1HB       ASP   9   3.112 -10.524 -10.526
   67   2HB   ASP   9          2HB       ASP   9   3.774  -9.347  -9.392
   68    H    LYS  10           H        LYS  10   0.618 -10.226  -6.744
   69    HA   LYS  10           HA       LYS  10   0.092  -7.497  -7.194
   70   1HB   LYS  10          1HB       LYS  10  -0.914  -8.772  -9.301
   71   2HB   LYS  10          2HB       LYS  10  -2.248  -9.060  -8.184
   72   1HG   LYS  10          1HG       LYS  10  -1.987  -6.487  -7.676
   73   2HG   LYS  10          2HG       LYS  10  -1.206  -6.459  -9.258
   74   1HD   LYS  10          1HD       LYS  10  -3.855  -7.841  -8.907
   75   2HD   LYS  10          2HD       LYS  10  -3.790  -6.093  -9.127
   76   1HE   LYS  10          1HE       LYS  10  -2.356  -6.518 -11.181
   77   2HE   LYS  10          2HE       LYS  10  -2.760  -8.227 -11.011
   78   1HZ   LYS  10          1HZ       LYS  10  -5.101  -7.651 -11.152
   79   2HZ   LYS  10          2HZ       LYS  10  -4.711  -6.009 -11.321
   80   3HZ   LYS  10          3HZ       LYS  10  -4.267  -7.116 -12.531
   81    H    CYS  11           H        CYS  11  -1.288 -10.613  -6.277
   82    HA   CYS  11           HA       CYS  11  -3.072  -9.491  -4.308
   83   1HB   CYS  11          1HB       CYS  11  -2.138 -12.365  -4.509
   84   2HB   CYS  11          2HB       CYS  11  -3.594 -11.766  -3.719
   85    H    CYS  12           H        CYS  12  -2.917 -10.436  -1.999
   86    HA   CYS  12           HA       CYS  12  -0.444 -11.129  -0.857
   87   1HB   CYS  12          1HB       CYS  12   0.100  -8.981   0.294
   88   2HB   CYS  12          2HB       CYS  12   0.339  -8.916  -1.451
   89    H    LEU  13           H        LEU  13  -1.049 -12.175   0.901
   90    HA   LEU  13           HA       LEU  13  -3.611 -11.627   2.153
   91   1HB   LEU  13          1HB       LEU  13  -1.522 -13.562   3.117
   92   2HB   LEU  13          2HB       LEU  13  -3.243 -13.589   3.430
   93    HG   LEU  13           HG       LEU  13  -2.104 -13.970   0.661
   94   1HD1  LEU  13          1HD1      LEU  13  -2.386 -15.882   2.948
   95   2HD1  LEU  13          2HD1      LEU  13  -2.757 -16.460   1.324
   96   3HD1  LEU  13          3HD1      LEU  13  -1.155 -15.819   1.686
   97   1HD2  LEU  13          1HD2      LEU  13  -4.767 -14.273   2.014
   98   2HD2  LEU  13          2HD2      LEU  13  -4.389 -13.562   0.445
   99   3HD2  LEU  13          3HD2      LEU  13  -4.382 -15.314   0.644
  100    H    GLY  14           H        GLY  14  -0.199 -11.187   2.829
  101   1HA   GLY  14          1HA       GLY  14   0.883 -10.343   4.724
  102   2HA   GLY  14          2HA       GLY  14  -0.671 -10.275   5.552
  103    H    TYR  15           H        TYR  15   0.333  -8.139   6.201
  104    HA   TYR  15           HA       TYR  15   0.163  -6.067   4.133
  105   1HB   TYR  15          1HB       TYR  15  -1.540  -6.103   6.633
  106   2HB   TYR  15          2HB       TYR  15  -1.317  -4.686   5.606
  107    HD1  TYR  15           HD1      TYR  15  -2.666  -8.140   5.732
  108    HD2  TYR  15           HD2      TYR  15  -2.390  -4.504   3.469
  109    HE1  TYR  15           HE1      TYR  15  -4.437  -8.959   4.200
  110    HE2  TYR  15           HE2      TYR  15  -4.160  -5.316   1.938
  111    HH   TYR  15           HH       TYR  15  -6.189  -7.805   2.636
  112    H    GLN  16           H        GLN  16   0.727  -3.877   5.129
  113    HA   GLN  16           HA       GLN  16   3.262  -4.105   6.410
  114   1HB   GLN  16          1HB       GLN  16   2.259  -2.177   4.892
  115   2HB   GLN  16          2HB       GLN  16   1.759  -1.521   6.446
  116   1HG   GLN  16          1HG       GLN  16   3.954  -0.630   5.880
  117   2HG   GLN  16          2HG       GLN  16   4.114  -1.728   7.249
  118   2HE2  GLN  16          2HE2      GLN  16   5.299  -3.699   6.937
  119   1HE2  GLN  16          1HE2      GLN  16   6.130  -4.046   5.499
  120    H    LYS  17           H        LYS  17   3.511  -4.665   8.465
  121    HA   LYS  17           HA       LYS  17   1.443  -4.223  10.425
  122   1HB   LYS  17          1HB       LYS  17   3.029  -5.251  12.011
  123   2HB   LYS  17          2HB       LYS  17   2.838  -6.228  10.557
  124   1HG   LYS  17          1HG       LYS  17   4.922  -4.567   9.854
  125   2HG   LYS  17          2HG       LYS  17   5.219  -4.817  11.573
  126   1HD   LYS  17          1HD       LYS  17   6.340  -6.635  10.623
  127   2HD   LYS  17          2HD       LYS  17   4.770  -7.338  11.014
  128   1HE   LYS  17          1HE       LYS  17   4.002  -7.007   8.725
  129   2HE   LYS  17          2HE       LYS  17   5.500  -6.176   8.311
  130   1HZ   LYS  17          1HZ       LYS  17   6.720  -8.202   8.820
  131   2HZ   LYS  17          2HZ       LYS  17   5.268  -9.002   9.191
  132   3HZ   LYS  17          3HZ       LYS  17   5.563  -8.478   7.606
  133    H    ARG  18           H        ARG  18   3.851  -2.229   9.152
  134    HA   ARG  18           HA       ARG  18   3.858  -0.585  11.608
  135   1HB   ARG  18          1HB       ARG  18   6.018  -0.996   9.539
  136   2HB   ARG  18          2HB       ARG  18   6.024   0.369  10.655
  137   1HG   ARG  18          1HG       ARG  18   5.687  -2.434  11.699
  138   2HG   ARG  18          2HG       ARG  18   7.296  -1.812  11.330
  139   1HD   ARG  18          1HD       ARG  18   5.461  -0.104  12.959
  140   2HD   ARG  18          2HD       ARG  18   6.217  -1.489  13.740
  141    HE   ARG  18           HE       ARG  18   7.525   0.950  12.911
  142   1HH1  ARG  18          1HH1      ARG  18   7.962  -2.462  13.563
  143   2HH1  ARG  18          2HH1      ARG  18   9.649  -2.298  13.903
  144   1HH2  ARG  18          1HH2      ARG  18   9.728   1.119  13.364
  145   2HH2  ARG  18          2HH2      ARG  18  10.643  -0.288  13.792
  146    HA   PRO  19           HA       PRO  19   2.017   2.476   8.984
  147   1HB   PRO  19          1HB       PRO  19   2.379   4.676  10.565
  148   2HB   PRO  19          2HB       PRO  19   1.185   3.415  10.893
  149   1HG   PRO  19          1HG       PRO  19   3.723   3.985  12.278
  150   2HG   PRO  19          2HG       PRO  19   2.283   3.142  12.865
  151   1HD   PRO  19          1HD       PRO  19   4.723   1.958  11.963
  152   2HD   PRO  19          2HD       PRO  19   3.219   1.117  12.407
  153    H    LEU  20           H        LEU  20   2.707   3.563   7.235
  154    HA   LEU  20           HA       LEU  20   5.482   4.554   7.191
  155   1HB   LEU  20          1HB       LEU  20   3.838   4.560   4.723
  156   2HB   LEU  20          2HB       LEU  20   5.533   4.188   4.939
  157    HG   LEU  20           HG       LEU  20   3.173   2.366   5.449
  158   1HD1  LEU  20          1HD1      LEU  20   5.471   2.411   3.480
  159   2HD1  LEU  20          2HD1      LEU  20   4.485   0.975   3.758
  160   3HD1  LEU  20          3HD1      LEU  20   3.743   2.445   3.127
  161   1HD2  LEU  20          1HD2      LEU  20   5.980   2.292   6.424
  162   2HD2  LEU  20          2HD2      LEU  20   4.531   1.557   7.109
  163   3HD2  LEU  20          3HD2      LEU  20   5.356   0.784   5.756
  164    HA   PRO  21           HA       PRO  21   3.932   8.709   7.137
  165   1HB   PRO  21          1HB       PRO  21   6.162  10.006   6.227
  166   2HB   PRO  21          2HB       PRO  21   6.009   9.344   7.864
  167   1HG   PRO  21          1HG       PRO  21   7.599   8.341   5.582
  168   2HG   PRO  21          2HG       PRO  21   7.844   8.104   7.318
  169   1HD   PRO  21          1HD       PRO  21   6.707   6.240   5.484
  170   2HD   PRO  21          2HD       PRO  21   6.773   6.090   7.256
  171    H    GLN  22           H        GLN  22   2.843  10.035   5.758
  172    HA   GLN  22           HA       GLN  22   2.612   9.339   2.997
  173   1HB   GLN  22          1HB       GLN  22   0.805  10.365   4.465
  174   2HB   GLN  22          2HB       GLN  22   1.647  11.902   4.267
  175   1HG   GLN  22          1HG       GLN  22   1.147  10.383   1.767
  176   2HG   GLN  22          2HG       GLN  22  -0.285  11.028   2.570
  177   2HE2  GLN  22          2HE2      GLN  22   1.293  11.906   0.042
  178   1HE2  GLN  22          1HE2      GLN  22   1.537  13.567   0.289
  179    H    VAL  23           H        VAL  23   4.904  11.223   4.647
  180    HA   VAL  23           HA       VAL  23   5.387  13.381   2.993
  181    HB   VAL  23           HB       VAL  23   6.511  12.987   5.161
  182   1HG1  VAL  23          1HG1      VAL  23   6.963  10.503   4.516
  183   2HG1  VAL  23          2HG1      VAL  23   8.412  11.135   3.739
  184   3HG1  VAL  23          3HG1      VAL  23   8.172  11.358   5.471
  185   1HG2  VAL  23          1HG2      VAL  23   8.400  13.318   2.814
  186   2HG2  VAL  23          2HG2      VAL  23   7.468  14.605   3.579
  187   3HG2  VAL  23          3HG2      VAL  23   8.745  13.788   4.479
  188    H    LEU  24           H        LEU  24   6.560  10.070   2.651
  189    HA   LEU  24           HA       LEU  24   7.816  10.754   0.095
  190   1HB   LEU  24          1HB       LEU  24   9.186   8.995   0.416
  191   2HB   LEU  24          2HB       LEU  24   8.677   9.140   2.080
  192    HG   LEU  24           HG       LEU  24   7.499   7.209   0.058
  193   1HD1  LEU  24          1HD1      LEU  24   9.703   7.019   2.067
  194   2HD1  LEU  24          2HD1      LEU  24   8.674   5.610   1.810
  195   3HD1  LEU  24          3HD1      LEU  24   9.581   6.297   0.462
  196   1HD2  LEU  24          1HD2      LEU  24   6.603   8.122   2.656
  197   2HD2  LEU  24          2HD2      LEU  24   5.824   6.992   1.555
  198   3HD2  LEU  24          3HD2      LEU  24   6.998   6.410   2.732
  199    H    LEU  25           H        LEU  25   5.118   9.022   1.454
  200    HA   LEU  25           HA       LEU  25   4.382   7.395  -0.669
  201   1HB   LEU  25          1HB       LEU  25   3.341   7.844   1.748
  202   2HB   LEU  25          2HB       LEU  25   2.207   8.769   0.791
  203    HG   LEU  25           HG       LEU  25   1.576   6.796  -0.465
  204   1HD1  LEU  25          1HD1      LEU  25   4.026   5.709   0.822
  205   2HD1  LEU  25          2HD1      LEU  25   2.675   4.590   0.650
  206   3HD1  LEU  25          3HD1      LEU  25   3.353   5.379  -0.774
  207   1HD2  LEU  25          1HD2      LEU  25   1.576   6.749   2.517
  208   2HD2  LEU  25          2HD2      LEU  25   0.216   6.794   1.396
  209   3HD2  LEU  25          3HD2      LEU  25   1.066   5.277   1.691
  210    H    SER  26           H        SER  26   2.957   7.575  -2.372
  211    HA   SER  26           HA       SER  26   2.549  10.342  -3.348
  212   1HB   SER  26          1HB       SER  26   4.074   8.631  -4.621
  213   2HB   SER  26          2HB       SER  26   2.540   7.960  -5.168
  214    HG   SER  26           HG       SER  26   2.239   9.666  -6.373
  215    H    SER  27           H        SER  27   1.170   7.090  -3.929
  216    HA   SER  27           HA       SER  27  -1.503   8.059  -3.283
  217   1HB   SER  27          1HB       SER  27  -2.480   7.626  -5.426
  218   2HB   SER  27          2HB       SER  27  -1.091   8.670  -5.707
  219    HG   SER  27           HG       SER  27  -1.093   6.916  -7.147
  220    H    TRP  28           H        TRP  28  -3.002   6.041  -4.341
  221    HA   TRP  28           HA       TRP  28  -1.767   3.480  -3.659
  222   1HB   TRP  28          1HB       TRP  28  -3.654   2.940  -2.079
  223   2HB   TRP  28          2HB       TRP  28  -2.520   4.144  -1.474
  224    HD1  TRP  28           HD1      TRP  28  -3.315   6.703  -1.470
  225    HE1  TRP  28           HE1      TRP  28  -5.668   7.754  -1.421
  226    HE3  TRP  28           HE3      TRP  28  -6.125   2.652  -2.834
  227    HZ2  TRP  28           HZ2      TRP  28  -8.379   6.977  -1.903
  228    HZ3  TRP  28           HZ3      TRP  28  -8.583   2.842  -3.032
  229    HH2  TRP  28           HH2      TRP  28  -9.715   4.996  -2.567
  230    H    TYR  29           H        TYR  29  -2.683   1.793  -4.724
  231    HA   TYR  29           HA       TYR  29  -5.153   2.387  -6.244
  232   1HB   TYR  29          1HB       TYR  29  -4.368   1.060  -8.088
  233   2HB   TYR  29          2HB       TYR  29  -3.125   2.241  -7.697
  234    HD1  TYR  29           HD1      TYR  29  -1.145   1.477  -6.230
  235    HD2  TYR  29           HD2      TYR  29  -3.901  -1.245  -8.089
  236    HE1  TYR  29           HE1      TYR  29   0.505  -0.356  -5.998
  237    HE2  TYR  29           HE2      TYR  29  -2.249  -3.078  -7.853
  238    HH   TYR  29           HH       TYR  29   0.571  -2.991  -7.633
  239    HA   PRO  30           HA       PRO  30  -6.813  -1.145  -4.207
  240   1HB   PRO  30          1HB       PRO  30  -8.921  -1.689  -5.858
  241   2HB   PRO  30          2HB       PRO  30  -8.876  -0.326  -4.730
  242   1HG   PRO  30          1HG       PRO  30  -8.594  -0.337  -7.678
  243   2HG   PRO  30          2HG       PRO  30  -9.178   0.943  -6.606
  244   1HD   PRO  30          1HD       PRO  30  -6.608   0.792  -7.789
  245   2HD   PRO  30          2HD       PRO  30  -7.109   1.903  -6.492
  246    H    THR  31           H        THR  31  -7.012  -3.392  -4.268
  247    HA   THR  31           HA       THR  31  -5.443  -4.714  -6.340
  248    HB   THR  31           HB       THR  31  -6.144  -6.739  -4.738
  249    HG1  THR  31           HG1      THR  31  -7.536  -5.281  -3.557
  250   1HG2  THR  31          1HG2      THR  31  -4.018  -4.685  -4.649
  251   2HG2  THR  31          2HG2      THR  31  -4.209  -5.637  -3.177
  252   3HG2  THR  31          3HG2      THR  31  -3.888  -6.442  -4.713
  253    H    SER  32           H        SER  32  -6.399  -7.129  -6.672
  254    HA   SER  32           HA       SER  32  -8.869  -6.707  -8.160
  255   1HB   SER  32          1HB       SER  32  -6.745  -8.793  -8.089
  256   2HB   SER  32          2HB       SER  32  -8.355  -9.297  -8.591
  257    HG   SER  32           HG       SER  32  -8.304  -7.618 -10.140
  258    H    GLN  33           H        GLN  33 -10.253  -8.941  -8.094
  259    HA   GLN  33           HA       GLN  33 -11.189  -9.089  -5.312
  260   1HB   GLN  33          1HB       GLN  33 -12.800  -8.529  -7.157
  261   2HB   GLN  33          2HB       GLN  33 -12.545 -10.153  -7.796
  262   1HG   GLN  33          1HG       GLN  33 -13.570 -11.180  -5.965
  263   2HG   GLN  33          2HG       GLN  33 -13.291  -9.796  -4.908
  264   2HE2  GLN  33          2HE2      GLN  33 -15.525 -11.224  -7.162
  265   1HE2  GLN  33          1HE2      GLN  33 -16.680  -9.980  -7.117
  266    H    LEU  34           H        LEU  34  -9.807 -11.040  -7.865
  267    HA   LEU  34           HA       LEU  34 -10.216 -13.509  -6.348
  268   1HB   LEU  34          1HB       LEU  34  -8.827 -13.090  -8.994
  269   2HB   LEU  34          2HB       LEU  34  -9.224 -14.631  -8.270
  270    HG   LEU  34           HG       LEU  34 -10.827 -14.246  -9.985
  271   1HD1  LEU  34          1HD1      LEU  34 -11.620 -14.874  -7.558
  272   2HD1  LEU  34          2HD1      LEU  34 -12.365 -13.277  -7.594
  273   3HD1  LEU  34          3HD1      LEU  34 -12.818 -14.488  -8.793
  274   1HD2  LEU  34          1HD2      LEU  34 -10.294 -11.620  -9.713
  275   2HD2  LEU  34          2HD2      LEU  34 -11.748 -12.209 -10.521
  276   3HD2  LEU  34          3HD2      LEU  34 -11.824 -11.684  -8.839
  277    H    CYS  35           H        CYS  35  -8.793 -12.185  -4.700
  278    HA   CYS  35           HA       CYS  35  -6.006 -13.098  -5.096
  279   1HB   CYS  35          1HB       CYS  35  -7.014 -10.455  -4.102
  280   2HB   CYS  35          2HB       CYS  35  -5.462 -11.075  -3.545
  281    H    SER  36           H        SER  36  -8.567 -14.025  -3.539
  282    HA   SER  36           HA       SER  36  -8.920 -15.230  -1.616
  283   1HB   SER  36          1HB       SER  36  -6.170 -14.807  -0.569
  284   2HB   SER  36          2HB       SER  36  -7.152 -16.269  -0.599
  285    HG   SER  36           HG       SER  36  -6.797 -16.273  -2.908
  286    H    LYS  37           H        LYS  37  -6.476 -12.832  -0.654
  287    HA   LYS  37           HA       LYS  37  -8.488 -11.471   1.001
  288   1HB   LYS  37          1HB       LYS  37  -7.321 -13.146   2.449
  289   2HB   LYS  37          2HB       LYS  37  -5.796 -12.339   2.087
  290   1HG   LYS  37          1HG       LYS  37  -6.357 -10.432   3.291
  291   2HG   LYS  37          2HG       LYS  37  -8.090 -10.702   3.107
  292   1HD   LYS  37          1HD       LYS  37  -7.712 -11.269   5.356
  293   2HD   LYS  37          2HD       LYS  37  -7.675 -12.834   4.545
  294   1HE   LYS  37          1HE       LYS  37  -5.077 -12.165   4.299
  295   2HE   LYS  37          2HE       LYS  37  -5.454 -11.290   5.784
  296   1HZ   LYS  37          1HZ       LYS  37  -6.253 -14.109   5.428
  297   2HZ   LYS  37          2HZ       LYS  37  -4.696 -13.704   5.973
  298   3HZ   LYS  37          3HZ       LYS  37  -6.062 -13.233   6.868
  299    HA   PRO  38           HA       PRO  38  -5.544  -8.592  -1.134
  300   1HB   PRO  38          1HB       PRO  38  -7.375  -7.282  -2.673
  301   2HB   PRO  38          2HB       PRO  38  -6.554  -8.766  -3.175
  302   1HG   PRO  38          1HG       PRO  38  -9.356  -8.370  -2.330
  303   2HG   PRO  38          2HG       PRO  38  -8.657  -9.638  -3.344
  304   1HD   PRO  38          1HD       PRO  38  -9.366  -9.841  -0.584
  305   2HD   PRO  38          2HD       PRO  38  -8.512 -11.056  -1.563
  306    H    GLY  39           H        GLY  39  -6.086  -6.061  -1.585
  307   1HA   GLY  39          1HA       GLY  39  -6.191  -4.758   0.859
  308   2HA   GLY  39          2HA       GLY  39  -7.841  -4.743   0.235
  309    H    VAL  40           H        VAL  40  -4.797  -3.255   0.144
  310    HA   VAL  40           HA       VAL  40  -5.081  -2.071  -2.489
  311    HB   VAL  40           HB       VAL  40  -5.249  -0.250  -0.073
  312   1HG1  VAL  40          1HG1      VAL  40  -4.211   0.342  -2.470
  313   2HG1  VAL  40          2HG1      VAL  40  -5.916   0.587  -2.847
  314   3HG1  VAL  40          3HG1      VAL  40  -5.158   1.501  -1.543
  315   1HG2  VAL  40          1HG2      VAL  40  -7.377  -1.131  -2.040
  316   2HG2  VAL  40          2HG2      VAL  40  -7.368  -1.419  -0.299
  317   3HG2  VAL  40          3HG2      VAL  40  -7.559   0.220  -0.922
  318    H    ILE  41           H        ILE  41  -3.176  -1.404  -3.268
  319    HA   ILE  41           HA       ILE  41  -0.852  -1.604  -1.473
  320    HB   ILE  41           HB       ILE  41  -1.176  -1.853  -4.466
  321   1HG1  ILE  41          1HG1      ILE  41   0.041  -4.026  -3.937
  322   2HG1  ILE  41          2HG1      ILE  41  -0.202  -3.640  -2.234
  323   1HG2  ILE  41          1HG2      ILE  41   1.434  -1.720  -2.916
  324   2HG2  ILE  41          2HG2      ILE  41   1.275  -2.113  -4.628
  325   3HG2  ILE  41          3HG2      ILE  41   0.859  -0.499  -4.052
  326   1HD1  ILE  41          1HD1      ILE  41  -2.598  -3.448  -3.980
  327   2HD1  ILE  41          2HD1      ILE  41  -1.983  -5.071  -3.671
  328   3HD1  ILE  41          3HD1      ILE  41  -2.457  -4.036  -2.324
  329    H    PHE  42           H        PHE  42   0.484   0.093  -1.129
  330    HA   PHE  42           HA       PHE  42  -0.423   2.708  -2.126
  331   1HB   PHE  42          1HB       PHE  42   1.149   1.784   0.249
  332   2HB   PHE  42          2HB       PHE  42   1.424   3.414  -0.362
  333    HD1  PHE  42           HD1      PHE  42  -1.121   1.097   1.014
  334    HD2  PHE  42           HD2      PHE  42  -0.230   5.139  -0.132
  335    HE1  PHE  42           HE1      PHE  42  -3.188   1.873   2.143
  336    HE2  PHE  42           HE2      PHE  42  -2.296   5.915   0.993
  337    HZ   PHE  42           HZ       PHE  42  -3.774   4.283   2.135
  338    H    LEU  43           H        LEU  43   0.622   3.612  -3.772
  339    HA   LEU  43           HA       LEU  43   3.296   2.631  -4.495
  340   1HB   LEU  43          1HB       LEU  43   1.533   4.570  -5.986
  341   2HB   LEU  43          2HB       LEU  43   2.974   3.783  -6.590
  342    HG   LEU  43           HG       LEU  43   0.711   2.049  -5.702
  343   1HD1  LEU  43          1HD1      LEU  43   0.782   3.619  -8.298
  344   2HD1  LEU  43          2HD1      LEU  43  -0.321   2.287  -7.956
  345   3HD1  LEU  43          3HD1      LEU  43  -0.421   3.777  -7.018
  346   1HD2  LEU  43          1HD2      LEU  43   2.997   1.284  -6.579
  347   2HD2  LEU  43          2HD2      LEU  43   1.587   0.593  -7.382
  348   3HD2  LEU  43          3HD2      LEU  43   2.486   1.902  -8.149
  349    H    THR  44           H        THR  44   4.738   3.640  -3.134
  350    HA   THR  44           HA       THR  44   4.519   6.333  -2.289
  351    HB   THR  44           HB       THR  44   6.839   6.104  -1.565
  352    HG1  THR  44           HG1      THR  44   6.737   3.764  -3.159
  353   1HG2  THR  44          1HG2      THR  44   4.801   4.031  -1.057
  354   2HG2  THR  44          2HG2      THR  44   6.447   3.557  -0.638
  355   3HG2  THR  44          3HG2      THR  44   5.734   5.000   0.084
  356    H    LYS  45           H        LYS  45   6.127   8.045  -2.837
  357    HA   LYS  45           HA       LYS  45   5.981   8.739  -5.556
  358   1HB   LYS  45          1HB       LYS  45   7.748   9.749  -3.324
  359   2HB   LYS  45          2HB       LYS  45   7.767  10.446  -4.944
  360   1HG   LYS  45          1HG       LYS  45   5.632  11.319  -4.748
  361   2HG   LYS  45          2HG       LYS  45   5.122  10.087  -3.592
  362   1HD   LYS  45          1HD       LYS  45   5.371  11.813  -2.104
  363   2HD   LYS  45          2HD       LYS  45   7.053  11.284  -2.134
  364   1HE   LYS  45          1HE       LYS  45   7.191  12.915  -4.217
  365   2HE   LYS  45          2HE       LYS  45   5.794  13.665  -3.445
  366   1HZ   LYS  45          1HZ       LYS  45   8.302  13.064  -1.988
  367   2HZ   LYS  45          2HZ       LYS  45   8.024  14.550  -2.762
  368   3HZ   LYS  45          3HZ       LYS  45   7.017  14.057  -1.489
  369    H    ARG  46           H        ARG  46   8.839   7.732  -3.675
  370    HA   ARG  46           HA       ARG  46   9.994   6.644  -6.170
  371   1HB   ARG  46          1HB       ARG  46  10.974   8.876  -5.243
  372   2HB   ARG  46          2HB       ARG  46  11.720   7.830  -4.033
  373   1HG   ARG  46          1HG       ARG  46  12.506   6.398  -6.035
  374   2HG   ARG  46          2HG       ARG  46  12.102   7.799  -7.025
  375   1HD   ARG  46          1HD       ARG  46  13.775   9.108  -6.107
  376   2HD   ARG  46          2HD       ARG  46  13.767   8.231  -4.581
  377    HE   ARG  46           HE       ARG  46  14.695   6.641  -6.808
  378   1HH1  ARG  46          1HH1      ARG  46  15.615   8.960  -4.352
  379   2HH1  ARG  46          2HH1      ARG  46  17.277   8.479  -4.359
  380   1HH2  ARG  46          1HH2      ARG  46  16.870   6.046  -6.785
  381   2HH2  ARG  46          2HH2      ARG  46  17.983   6.843  -5.724
  382    H    GLY  47           H        GLY  47   8.873   5.836  -3.157
  383   1HA   GLY  47          1HA       GLY  47   9.360   4.183  -1.620
  384   2HA   GLY  47          2HA       GLY  47  10.978   4.074  -2.305
  385    H    ARG  48           H        ARG  48   8.006   2.559  -1.989
  386    HA   ARG  48           HA       ARG  48   8.173   0.977  -4.438
  387   1HB   ARG  48          1HB       ARG  48   8.431  -0.421  -1.763
  388   2HB   ARG  48          2HB       ARG  48   8.526  -1.146  -3.366
  389   1HG   ARG  48          1HG       ARG  48  10.560   0.223  -3.822
  390   2HG   ARG  48          2HG       ARG  48  10.485   0.814  -2.165
  391   1HD   ARG  48          1HD       ARG  48  10.462  -1.686  -1.493
  392   2HD   ARG  48          2HD       ARG  48  11.029  -1.984  -3.133
  393    HE   ARG  48           HE       ARG  48  12.568  -0.893  -0.959
  394   1HH1  ARG  48          1HH1      ARG  48  12.185  -0.915  -4.439
  395   2HH1  ARG  48          2HH1      ARG  48  13.835  -0.492  -4.736
  396   1HH2  ARG  48          1HH2      ARG  48  14.711  -0.342  -1.392
  397   2HH2  ARG  48          2HH2      ARG  48  15.255  -0.170  -3.028
  398    H    GLN  49           H        GLN  49   6.602  -1.162  -3.637
  399    HA   GLN  49           HA       GLN  49   4.027   0.171  -3.149
  400   1HB   GLN  49          1HB       GLN  49   4.869  -2.343  -4.535
  401   2HB   GLN  49          2HB       GLN  49   3.247  -2.254  -3.850
  402   1HG   GLN  49          1HG       GLN  49   2.595  -0.520  -5.266
  403   2HG   GLN  49          2HG       GLN  49   4.254   0.018  -5.533
  404   2HE2  GLN  49          2HE2      GLN  49   1.786  -1.386  -7.176
  405   1HE2  GLN  49          1HE2      GLN  49   2.660  -2.367  -8.249
  406    H    VAL  50           H        VAL  50   2.641  -0.493  -1.512
  407    HA   VAL  50           HA       VAL  50   3.609  -2.590   0.322
  408    HB   VAL  50           HB       VAL  50   2.732   0.180   1.193
  409   1HG1  VAL  50          1HG1      VAL  50   3.366  -2.366   2.682
  410   2HG1  VAL  50          2HG1      VAL  50   3.606  -0.793   3.444
  411   3HG1  VAL  50          3HG1      VAL  50   1.998  -1.273   2.900
  412   1HG2  VAL  50          1HG2      VAL  50   5.061  -0.062   0.217
  413   2HG2  VAL  50          2HG2      VAL  50   5.009   0.500   1.888
  414   3HG2  VAL  50          3HG2      VAL  50   5.415  -1.179   1.536
  415    H    CYS  51           H        CYS  51   2.048  -3.997   0.713
  416    HA   CYS  51           HA       CYS  51  -0.683  -3.502  -0.057
  417   1HB   CYS  51          1HB       CYS  51   0.852  -5.790   1.081
  418   2HB   CYS  51          2HB       CYS  51  -0.889  -5.773   1.354
  419    H    ALA  52           H        ALA  52  -2.024  -2.310   1.136
  420    HA   ALA  52           HA       ALA  52  -1.912  -2.601   4.072
  421   1HB   ALA  52          1HB       ALA  52  -0.881  -0.419   3.102
  422   2HB   ALA  52          2HB       ALA  52  -2.557   0.043   2.805
  423   3HB   ALA  52          3HB       ALA  52  -2.014  -0.300   4.448
  424    H    ASP  53           H        ASP  53  -3.832  -2.672   5.106
  425    HA   ASP  53           HA       ASP  53  -6.237  -2.786   3.412
  426   1HB   ASP  53          1HB       ASP  53  -5.428  -4.028   6.000
  427   2HB   ASP  53          2HB       ASP  53  -7.137  -3.650   5.783
  428    H    LYS  54           H        LYS  54  -8.283  -2.062   4.709
  429    HA   LYS  54           HA       LYS  54  -7.712   0.668   5.657
  430   1HB   LYS  54          1HB       LYS  54 -10.134   1.067   5.263
  431   2HB   LYS  54          2HB       LYS  54  -9.283   0.538   3.814
  432   1HG   LYS  54          1HG       LYS  54 -10.412  -1.636   5.479
  433   2HG   LYS  54          2HG       LYS  54 -11.597  -0.595   4.690
  434   1HD   LYS  54          1HD       LYS  54 -11.000  -1.278   2.581
  435   2HD   LYS  54          2HD       LYS  54  -9.307  -1.504   3.021
  436   1HE   LYS  54          1HE       LYS  54  -9.646  -3.651   3.787
  437   2HE   LYS  54          2HE       LYS  54 -11.306  -3.324   4.283
  438   1HZ   LYS  54          1HZ       LYS  54 -11.856  -3.166   1.871
  439   2HZ   LYS  54          2HZ       LYS  54 -10.298  -3.751   1.529
  440   3HZ   LYS  54          3HZ       LYS  54 -11.395  -4.717   2.389
  441    H    SER  55           H        SER  55  -7.368  -1.745   7.301
  442    HA   SER  55           HA       SER  55  -9.504  -1.452   9.299
  443   1HB   SER  55          1HB       SER  55  -8.271  -3.705   8.387
  444   2HB   SER  55          2HB       SER  55  -7.314  -3.357   9.822
  445    HG   SER  55           HG       SER  55 -10.052  -3.926   9.567
  446    H    LYS  56           H        LYS  56  -6.070  -0.976   8.779
  447    HA   LYS  56           HA       LYS  56  -5.372  -0.370  11.471
  448   1HB   LYS  56          1HB       LYS  56  -4.038   0.587   8.925
  449   2HB   LYS  56          2HB       LYS  56  -3.320   0.555  10.536
  450   1HG   LYS  56          1HG       LYS  56  -4.444  -2.010   9.526
  451   2HG   LYS  56          2HG       LYS  56  -2.960  -1.438   8.764
  452   1HD   LYS  56          1HD       LYS  56  -2.135  -2.686  10.564
  453   2HD   LYS  56          2HD       LYS  56  -2.152  -1.050  11.224
  454   1HE   LYS  56          1HE       LYS  56  -3.891  -1.495  12.649
  455   2HE   LYS  56          2HE       LYS  56  -4.658  -2.620  11.528
  456   1HZ   LYS  56          1HZ       LYS  56  -2.672  -4.112  12.025
  457   2HZ   LYS  56          2HZ       LYS  56  -2.397  -3.104  13.366
  458   3HZ   LYS  56          3HZ       LYS  56  -3.858  -3.963  13.229
  459    H    ASP  57           H        ASP  57  -4.174   2.018  11.572
  460    HA   ASP  57           HA       ASP  57  -6.411   3.911  11.194
  461   1HB   ASP  57          1HB       ASP  57  -5.454   3.352  13.552
  462   2HB   ASP  57          2HB       ASP  57  -4.114   4.392  13.069
  463    H    TRP  58           H        TRP  58  -3.025   3.321  10.566
  464    HA   TRP  58           HA       TRP  58  -2.531   6.017   9.646
  465   1HB   TRP  58          1HB       TRP  58  -0.329   5.149   8.924
  466   2HB   TRP  58          2HB       TRP  58  -0.670   4.817  10.617
  467    HD1  TRP  58           HD1      TRP  58  -1.167   2.293  11.308
  468    HE1  TRP  58           HE1      TRP  58  -0.580   0.062  10.160
  469    HE3  TRP  58           HE3      TRP  58  -0.084   3.976   6.617
  470    HZ2  TRP  58           HZ2      TRP  58   0.243  -0.888   7.576
  471    HZ3  TRP  58           HZ3      TRP  58   0.599   2.397   4.836
  472    HH2  TRP  58           HH2      TRP  58   0.762  -0.028   5.309
  473    H    VAL  59           H        VAL  59  -3.665   3.048   8.261
  474    HA   VAL  59           HA       VAL  59  -3.041   3.749   5.533
  475    HB   VAL  59           HB       VAL  59  -5.071   1.742   6.539
  476   1HG1  VAL  59          1HG1      VAL  59  -3.920   2.486   3.896
  477   2HG1  VAL  59          2HG1      VAL  59  -4.100   0.760   4.217
  478   3HG1  VAL  59          3HG1      VAL  59  -5.507   1.822   4.284
  479   1HG2  VAL  59          1HG2      VAL  59  -2.731   1.420   7.435
  480   2HG2  VAL  59          2HG2      VAL  59  -3.303   0.096   6.419
  481   3HG2  VAL  59          3HG2      VAL  59  -2.176   1.285   5.767
  482    H    LYS  60           H        LYS  60  -5.723   4.169   7.748
  483    HA   LYS  60           HA       LYS  60  -7.664   4.962   5.822
  484   1HB   LYS  60          1HB       LYS  60  -8.019   4.246   8.282
  485   2HB   LYS  60          2HB       LYS  60  -7.634   5.922   8.675
  486   1HG   LYS  60          1HG       LYS  60  -9.529   6.752   7.608
  487   2HG   LYS  60          2HG       LYS  60  -9.659   5.358   6.535
  488   1HD   LYS  60          1HD       LYS  60 -10.155   3.987   8.657
  489   2HD   LYS  60          2HD       LYS  60 -10.405   5.541   9.455
  490   1HE   LYS  60          1HE       LYS  60 -12.208   6.110   7.998
  491   2HE   LYS  60          2HE       LYS  60 -11.817   4.799   6.886
  492   1HZ   LYS  60          1HZ       LYS  60 -12.253   3.285   8.863
  493   2HZ   LYS  60          2HZ       LYS  60 -13.001   4.627   9.588
  494   3HZ   LYS  60          3HZ       LYS  60 -13.603   4.007   8.129
  495    H    LYS  61           H        LYS  61  -5.398   6.758   7.881
  496    HA   LYS  61           HA       LYS  61  -6.249   9.353   7.169
  497   1HB   LYS  61          1HB       LYS  61  -4.496   8.459   8.979
  498   2HB   LYS  61          2HB       LYS  61  -3.355   8.887   7.703
  499   1HG   LYS  61          1HG       LYS  61  -4.321  11.154   7.593
  500   2HG   LYS  61          2HG       LYS  61  -5.468  10.729   8.865
  501   1HD   LYS  61          1HD       LYS  61  -3.776  11.761  10.097
  502   2HD   LYS  61          2HD       LYS  61  -3.303  10.065  10.203
  503   1HE   LYS  61          1HE       LYS  61  -1.527  10.323   8.744
  504   2HE   LYS  61          2HE       LYS  61  -2.294  11.658   7.882
  505   1HZ   LYS  61          1HZ       LYS  61  -2.010  12.869  10.134
  506   2HZ   LYS  61          2HZ       LYS  61  -0.823  11.691  10.430
  507   3HZ   LYS  61          3HZ       LYS  61  -0.680  12.728   9.091
  508    H    LEU  62           H        LEU  62  -3.800   7.206   5.766
  509    HA   LEU  62           HA       LEU  62  -2.788   9.010   3.845
  510   1HB   LEU  62          1HB       LEU  62  -3.027   6.010   3.687
  511   2HB   LEU  62          2HB       LEU  62  -2.058   7.004   2.623
  512    HG   LEU  62           HG       LEU  62  -1.569   7.082   5.581
  513   1HD1  LEU  62          1HD1      LEU  62  -0.968   4.878   3.647
  514   2HD1  LEU  62          2HD1      LEU  62   0.243   5.280   4.866
  515   3HD1  LEU  62          3HD1      LEU  62  -1.376   4.785   5.359
  516   1HD2  LEU  62          1HD2      LEU  62  -0.201   7.836   3.049
  517   2HD2  LEU  62          2HD2      LEU  62  -0.152   8.617   4.629
  518   3HD2  LEU  62          3HD2      LEU  62   0.830   7.184   4.323
  519    H    MET  63           H        MET  63  -5.389   6.620   3.704
  520    HA   MET  63           HA       MET  63  -6.114   6.813   1.027
  521   1HB   MET  63          1HB       MET  63  -7.701   6.266   3.520
  522   2HB   MET  63          2HB       MET  63  -8.498   6.359   1.950
  523   1HG   MET  63          1HG       MET  63  -6.438   4.749   1.290
  524   2HG   MET  63          2HG       MET  63  -6.595   4.321   2.992
  525   1HE   MET  63          1HE       MET  63  -7.177   3.680  -0.218
  526   2HE   MET  63          2HE       MET  63  -7.455   2.046   0.398
  527   3HE   MET  63          3HE       MET  63  -8.721   2.881  -0.499
  528    H    GLN  64           H        GLN  64  -6.883   8.944   3.713
  529    HA   GLN  64           HA       GLN  64  -8.651  10.600   2.099
  530   1HB   GLN  64          1HB       GLN  64  -7.622  10.829   4.931
  531   2HB   GLN  64          2HB       GLN  64  -8.627  12.064   4.173
  532   1HG   GLN  64          1HG       GLN  64 -10.379  10.379   3.745
  533   2HG   GLN  64          2HG       GLN  64  -9.377   9.145   4.509
  534   2HE2  GLN  64          2HE2      GLN  64 -11.328  12.038   5.140
  535   1HE2  GLN  64          1HE2      GLN  64 -11.383  11.841   6.825
  536    H    GLN  65           H        GLN  65  -5.337  10.582   3.234
  537    HA   GLN  65           HA       GLN  65  -4.748  13.302   2.590
  538   1HB   GLN  65          1HB       GLN  65  -3.157  10.879   3.296
  539   2HB   GLN  65          2HB       GLN  65  -2.322  12.240   2.550
  540   1HG   GLN  65          1HG       GLN  65  -4.194  12.993   4.709
  541   2HG   GLN  65          2HG       GLN  65  -2.827  12.015   5.238
  542   2HE2  GLN  65          2HE2      GLN  65  -0.612  12.859   4.655
  543   1HE2  GLN  65          1HE2      GLN  65  -0.399  14.532   4.463
  544    H    LEU  66           H        LEU  66  -4.487  10.230   0.869
  545    HA   LEU  66           HA       LEU  66  -3.587  11.699  -1.531
  546   1HB   LEU  66          1HB       LEU  66  -3.326   8.801  -0.782
  547   2HB   LEU  66          2HB       LEU  66  -2.973   9.423  -2.378
  548    HG   LEU  66           HG       LEU  66  -0.897   9.228  -1.266
  549   1HD1  LEU  66          1HD1      LEU  66  -1.518  11.498  -2.403
  550   2HD1  LEU  66          2HD1      LEU  66  -1.484  12.128  -0.757
  551   3HD1  LEU  66          3HD1      LEU  66  -0.037  11.394  -1.450
  552   1HD2  LEU  66          1HD2      LEU  66  -2.269   9.352   1.045
  553   2HD2  LEU  66          2HD2      LEU  66  -0.526   9.610   0.968
  554   3HD2  LEU  66          3HD2      LEU  66  -1.621  10.992   1.015
  555    HA   PRO  67           HA       PRO  67  -7.537  10.733  -3.267
  556   1HB   PRO  67          1HB       PRO  67  -6.967  11.031  -5.930
  557   2HB   PRO  67          2HB       PRO  67  -7.172  12.385  -4.808
  558   1HG   PRO  67          1HG       PRO  67  -4.687  11.284  -5.994
  559   2HG   PRO  67          2HG       PRO  67  -5.042  12.928  -5.440
  560   1HD   PRO  67          1HD       PRO  67  -3.538  10.990  -4.034
  561   2HD   PRO  67          2HD       PRO  67  -4.180  12.508  -3.363
  562    H    VAL  68           H        VAL  68  -5.546   9.486  -5.928
  563    HA   VAL  68           HA       VAL  68  -5.393   6.811  -5.253
  564    HB   VAL  68           HB       VAL  68  -8.084   7.428  -5.564
  565   1HG1  VAL  68          1HG1      VAL  68  -7.622   7.599  -8.087
  566   2HG1  VAL  68          2HG1      VAL  68  -7.377   5.853  -8.036
  567   3HG1  VAL  68          3HG1      VAL  68  -8.936   6.538  -7.578
  568   1HG2  VAL  68          1HG2      VAL  68  -6.756   5.396  -4.600
  569   2HG2  VAL  68          2HG2      VAL  68  -8.413   5.162  -5.155
  570   3HG2  VAL  68          3HG2      VAL  68  -7.063   4.677  -6.181
  571    H    THR  69           H        THR  69  -4.969   5.402  -7.181
  572    HA   THR  69           HA       THR  69  -3.150   6.671  -8.926
  573    HB   THR  69           HB       THR  69  -3.627   4.387 -10.255
  574    HG1  THR  69           HG1      THR  69  -5.164   3.408  -9.200
  575   1HG2  THR  69          1HG2      THR  69  -1.569   5.157  -8.974
  576   2HG2  THR  69          2HG2      THR  69  -2.267   4.380  -7.554
  577   3HG2  THR  69          3HG2      THR  69  -1.855   3.418  -8.973
  578    H    ALA  70           H        ALA  70  -3.272   7.223 -11.088
  579    HA   ALA  70           HA       ALA  70  -4.236   8.037 -13.010
  580   1HB   ALA  70          1HB       ALA  70  -6.002   5.730 -12.305
  581   2HB   ALA  70          2HB       ALA  70  -5.001   5.982 -13.735
  582   3HB   ALA  70          3HB       ALA  70  -6.532   6.842 -13.567
  583    H    ARG  71           H        ARG  71  -6.169   9.213 -13.856
  584    HA   ARG  71           HA       ARG  71  -7.039  11.154 -11.999
  585   1HB   ARG  71          1HB       ARG  71  -8.602  11.864 -13.816
  586   2HB   ARG  71          2HB       ARG  71  -6.933  11.690 -14.361
  587   1HG   ARG  71          1HG       ARG  71  -7.398   9.846 -15.646
  588   2HG   ARG  71          2HG       ARG  71  -8.656   9.271 -14.551
  589   1HD   ARG  71          1HD       ARG  71  -9.832  11.539 -15.401
  590   2HD   ARG  71          2HD       ARG  71  -8.845  11.189 -16.816
  591    HE   ARG  71           HE       ARG  71 -10.308   9.471 -17.306
  592   1HH1  ARG  71          1HH1      ARG  71 -10.530  10.211 -13.892
  593   2HH1  ARG  71          2HH1      ARG  71 -11.824   9.095 -13.618
  594   1HH2  ARG  71          1HH2      ARG  71 -11.994   8.028 -16.905
  595   2HH2  ARG  71          2HH2      ARG  71 -12.647   7.868 -15.309

  No H/Q in entry =         595
  Start of MODEL    7
    1    H1   LEU   1           H1       LEU   1  16.377  -5.725   5.132
    2    H2   LEU   1           H2       LEU   1  17.209  -4.257   4.932
    3    H3   LEU   1           H3       LEU   1  15.878  -4.340   5.980
    4    HA   LEU   1           HA       LEU   1  14.349  -4.560   4.232
    5   1HB   LEU   1          1HB       LEU   1  16.476  -2.489   3.948
    6   2HB   LEU   1          2HB       LEU   1  15.333  -2.658   2.614
    7    HG   LEU   1           HG       LEU   1  13.473  -2.542   4.343
    8   1HD1  LEU   1          1HD1      LEU   1  15.891  -2.071   6.047
    9   2HD1  LEU   1          2HD1      LEU   1  14.408  -1.198   6.431
   10   3HD1  LEU   1          3HD1      LEU   1  14.415  -2.961   6.421
   11   1HD2  LEU   1          1HD2      LEU   1  14.237  -0.619   2.897
   12   2HD2  LEU   1          2HD2      LEU   1  13.528  -0.122   4.434
   13   3HD2  LEU   1          3HD2      LEU   1  15.279  -0.108   4.226
   14    H    GLY   2           H        GLY   2  14.049  -4.594   1.818
   15   1HA   GLY   2          1HA       GLY   2  16.150  -6.203   0.489
   16   2HA   GLY   2          2HA       GLY   2  15.023  -5.148  -0.359
   17    H    ALA   3           H        ALA   3  13.332  -6.107  -1.273
   18    HA   ALA   3           HA       ALA   3  12.255  -8.578  -0.071
   19   1HB   ALA   3          1HB       ALA   3  10.389  -8.034  -1.854
   20   2HB   ALA   3          2HB       ALA   3  10.435  -7.168  -0.319
   21   3HB   ALA   3          3HB       ALA   3  11.084  -6.414  -1.776
   22    H    SER   4           H        SER   4  11.112  -9.920  -1.968
   23    HA   SER   4           HA       SER   4  13.319 -10.774  -3.680
   24   1HB   SER   4          1HB       SER   4  11.970 -12.445  -2.411
   25   2HB   SER   4          2HB       SER   4  10.561 -11.983  -3.362
   26    HG   SER   4           HG       SER   4  11.286 -13.340  -4.783
   27    H    TRP   5           H        TRP   5  12.228 -11.763  -5.879
   28    HA   TRP   5           HA       TRP   5  10.509  -9.742  -7.119
   29   1HB   TRP   5          1HB       TRP   5  13.287  -9.596  -7.411
   30   2HB   TRP   5          2HB       TRP   5  12.745 -10.395  -8.885
   31    HD1  TRP   5           HD1      TRP   5  13.594  -7.143  -7.997
   32    HE1  TRP   5           HE1      TRP   5  12.166  -5.334  -9.152
   33    HE3  TRP   5           HE3      TRP   5   9.635  -9.984  -9.530
   34    HZ2  TRP   5           HZ2      TRP   5   9.676  -5.119 -10.541
   35    HZ3  TRP   5           HZ3      TRP   5   7.753  -8.953 -10.766
   36    HH2  TRP   5           HH2      TRP   5   7.767  -6.526 -11.273
   37    H    HIS   6           H        HIS   6   9.961 -12.400  -6.401
   38    HA   HIS   6           HA       HIS   6   9.651 -13.631  -9.073
   39   1HB   HIS   6          1HB       HIS   6  11.328 -14.763  -7.428
   40   2HB   HIS   6          2HB       HIS   6   9.875 -15.302  -6.586
   41    HD1  HIS   6           HD1      HIS   6   8.317 -16.976  -7.825
   42    HD2  HIS   6           HD2      HIS   6  11.730 -15.949  -9.987
   43    HE1  HIS   6           HE1      HIS   6   8.465 -18.614  -9.750
   44    H    ARG   7           H        ARG   7   7.859 -11.871  -7.617
   45    HA   ARG   7           HA       ARG   7   5.543 -13.681  -7.470
   46   1HB   ARG   7          1HB       ARG   7   6.262 -11.605  -5.388
   47   2HB   ARG   7          2HB       ARG   7   4.696 -12.411  -5.490
   48   1HG   ARG   7          1HG       ARG   7   5.684 -14.563  -5.082
   49   2HG   ARG   7          2HG       ARG   7   7.314 -13.914  -5.262
   50   1HD   ARG   7          1HD       ARG   7   6.803 -14.187  -2.890
   51   2HD   ARG   7          2HD       ARG   7   6.937 -12.475  -3.275
   52    HE   ARG   7           HE       ARG   7   4.229 -13.346  -3.494
   53   1HH1  ARG   7          1HH1      ARG   7   6.702 -12.546  -1.149
   54   2HH1  ARG   7          2HH1      ARG   7   5.561 -12.078   0.064
   55   1HH2  ARG   7          1HH2      ARG   7   2.776 -12.726  -1.884
   56   2HH2  ARG   7          2HH2      ARG   7   3.357 -12.179  -0.347
   57    HA   PRO   8           HA       PRO   8   3.746 -10.390  -9.823
   58   1HB   PRO   8          1HB       PRO   8   1.104 -11.036  -9.564
   59   2HB   PRO   8          2HB       PRO   8   2.240 -11.937 -10.579
   60   1HG   PRO   8          1HG       PRO   8   1.042 -12.689  -7.982
   61   2HG   PRO   8          2HG       PRO   8   1.674 -13.721  -9.274
   62   1HD   PRO   8          1HD       PRO   8   2.986 -13.045  -6.837
   63   2HD   PRO   8          2HD       PRO   8   3.693 -13.903  -8.227
   64    H    ASP   9           H        ASP   9   1.854  -8.739  -9.695
   65    HA   ASP   9           HA       ASP   9   1.880  -7.561  -6.988
   66   1HB   ASP   9          1HB       ASP   9   1.244  -6.243  -9.639
   67   2HB   ASP   9          2HB       ASP   9   1.381  -5.435  -8.076
   68    H    LYS  10           H        LYS  10   0.094  -9.719  -7.756
   69    HA   LYS  10           HA       LYS  10  -2.490  -8.302  -7.478
   70   1HB   LYS  10          1HB       LYS  10  -1.708 -10.563  -9.252
   71   2HB   LYS  10          2HB       LYS  10  -3.313 -10.624  -8.521
   72   1HG   LYS  10          1HG       LYS  10  -3.481  -9.474 -10.656
   73   2HG   LYS  10          2HG       LYS  10  -3.724  -8.298  -9.363
   74   1HD   LYS  10          1HD       LYS  10  -1.743  -7.221  -9.782
   75   2HD   LYS  10          2HD       LYS  10  -0.923  -8.703 -10.276
   76   1HE   LYS  10          1HE       LYS  10  -1.837  -8.629 -12.449
   77   2HE   LYS  10          2HE       LYS  10  -3.110  -7.506 -11.970
   78   1HZ   LYS  10          1HZ       LYS  10  -1.409  -5.817 -11.596
   79   2HZ   LYS  10          2HZ       LYS  10  -0.206  -6.900 -12.113
   80   3HZ   LYS  10          3HZ       LYS  10  -1.395  -6.363 -13.201
   81    H    CYS  11           H        CYS  11  -3.784  -8.941  -5.848
   82    HA   CYS  11           HA       CYS  11  -4.456  -9.962  -3.909
   83   1HB   CYS  11          1HB       CYS  11  -3.134 -12.377  -5.164
   84   2HB   CYS  11          2HB       CYS  11  -4.260 -12.412  -3.807
   85    H    CYS  12           H        CYS  12  -3.408  -9.170  -2.191
   86    HA   CYS  12           HA       CYS  12  -0.613  -9.975  -1.723
   87   1HB   CYS  12          1HB       CYS  12  -1.629  -7.500  -1.603
   88   2HB   CYS  12          2HB       CYS  12  -1.976  -8.005   0.050
   89    H    LEU  13           H        LEU  13  -0.012 -11.172   0.002
   90    HA   LEU  13           HA       LEU  13  -2.175 -12.340   1.617
   91   1HB   LEU  13          1HB       LEU  13  -0.275 -13.629   0.310
   92   2HB   LEU  13          2HB       LEU  13   0.651 -13.277   1.751
   93    HG   LEU  13           HG       LEU  13  -1.488 -14.329   2.942
   94   1HD1  LEU  13          1HD1      LEU  13  -2.408 -14.572   0.460
   95   2HD1  LEU  13          2HD1      LEU  13  -1.426 -16.037   0.484
   96   3HD1  LEU  13          3HD1      LEU  13  -2.718 -15.823   1.665
   97   1HD2  LEU  13          1HD2      LEU  13   0.900 -15.122   2.997
   98   2HD2  LEU  13          2HD2      LEU  13  -0.278 -16.435   3.009
   99   3HD2  LEU  13          3HD2      LEU  13   0.581 -16.035   1.521
  100    H    GLY  14           H        GLY  14   0.775 -10.464   1.855
  101   1HA   GLY  14          1HA       GLY  14   1.938 -10.133   4.005
  102   2HA   GLY  14          2HA       GLY  14   0.362 -10.251   4.782
  103    H    TYR  15           H        TYR  15   0.652  -8.206   5.753
  104    HA   TYR  15           HA       TYR  15   0.494  -5.910   3.889
  105   1HB   TYR  15          1HB       TYR  15  -1.041  -6.359   6.459
  106   2HB   TYR  15          2HB       TYR  15  -0.989  -4.824   5.593
  107    HD1  TYR  15           HD1      TYR  15  -2.061  -4.564   3.414
  108    HD2  TYR  15           HD2      TYR  15  -2.215  -8.296   5.531
  109    HE1  TYR  15           HE1      TYR  15  -3.862  -5.344   1.902
  110    HE2  TYR  15           HE2      TYR  15  -4.017  -9.080   4.018
  111    HH   TYR  15           HH       TYR  15  -5.884  -7.301   2.309
  112    H    GLN  16           H        GLN  16   0.947  -3.799   5.118
  113    HA   GLN  16           HA       GLN  16   3.549  -4.047   6.326
  114   1HB   GLN  16          1HB       GLN  16   2.511  -2.085   4.862
  115   2HB   GLN  16          2HB       GLN  16   2.038  -1.476   6.444
  116   1HG   GLN  16          1HG       GLN  16   4.196  -0.547   5.998
  117   2HG   GLN  16          2HG       GLN  16   4.453  -1.840   7.167
  118   2HE2  GLN  16          2HE2      GLN  16   6.553  -0.954   5.431
  119   1HE2  GLN  16          1HE2      GLN  16   6.916  -2.214   4.353
  120    H    LYS  17           H        LYS  17   3.895  -4.493   8.383
  121    HA   LYS  17           HA       LYS  17   1.793  -4.259  10.350
  122   1HB   LYS  17          1HB       LYS  17   3.606  -6.076  10.270
  123   2HB   LYS  17          2HB       LYS  17   4.688  -4.854  10.940
  124   1HG   LYS  17          1HG       LYS  17   3.578  -4.779  12.967
  125   2HG   LYS  17          2HG       LYS  17   2.032  -5.246  12.256
  126   1HD   LYS  17          1HD       LYS  17   3.191  -7.526  11.786
  127   2HD   LYS  17          2HD       LYS  17   4.373  -6.997  12.984
  128   1HE   LYS  17          1HE       LYS  17   2.857  -8.068  14.369
  129   2HE   LYS  17          2HE       LYS  17   2.187  -6.437  14.388
  130   1HZ   LYS  17          1HZ       LYS  17   0.792  -7.151  12.452
  131   2HZ   LYS  17          2HZ       LYS  17   1.298  -8.742  12.751
  132   3HZ   LYS  17          3HZ       LYS  17   0.412  -7.898  13.930
  133    H    ARG  18           H        ARG  18   4.148  -2.128   9.112
  134    HA   ARG  18           HA       ARG  18   3.955  -0.454  11.543
  135   1HB   ARG  18          1HB       ARG  18   6.202  -0.859   9.588
  136   2HB   ARG  18          2HB       ARG  18   6.073   0.645  10.501
  137   1HG   ARG  18          1HG       ARG  18   5.909  -0.766  12.602
  138   2HG   ARG  18          2HG       ARG  18   6.334  -2.161  11.608
  139   1HD   ARG  18          1HD       ARG  18   8.354  -0.748  10.836
  140   2HD   ARG  18          2HD       ARG  18   7.996   0.280  12.219
  141    HE   ARG  18           HE       ARG  18   8.906  -1.354  13.578
  142   1HH1  ARG  18          1HH1      ARG  18   8.017  -2.783  10.508
  143   2HH1  ARG  18          2HH1      ARG  18   8.707  -4.321  10.896
  144   1HH2  ARG  18          1HH2      ARG  18   9.792  -3.375  14.043
  145   2HH2  ARG  18          2HH2      ARG  18   9.704  -4.656  12.879
  146    HA   PRO  19           HA       PRO  19   1.991   2.471   8.861
  147   1HB   PRO  19          1HB       PRO  19   2.233   4.715  10.402
  148   2HB   PRO  19          2HB       PRO  19   1.102   3.402  10.748
  149   1HG   PRO  19          1HG       PRO  19   3.601   4.124  12.133
  150   2HG   PRO  19          2HG       PRO  19   2.201   3.221  12.729
  151   1HD   PRO  19          1HD       PRO  19   4.700   2.141  11.865
  152   2HD   PRO  19          2HD       PRO  19   3.234   1.236  12.310
  153    H    LEU  20           H        LEU  20   2.651   3.525   7.083
  154    HA   LEU  20           HA       LEU  20   5.382   4.597   6.993
  155   1HB   LEU  20          1HB       LEU  20   3.597   4.614   4.612
  156   2HB   LEU  20          2HB       LEU  20   5.325   4.356   4.709
  157    HG   LEU  20           HG       LEU  20   3.142   2.361   5.351
  158   1HD1  LEU  20          1HD1      LEU  20   4.076   3.013   2.925
  159   2HD1  LEU  20          2HD1      LEU  20   5.355   1.897   3.404
  160   3HD1  LEU  20          3HD1      LEU  20   3.679   1.348   3.352
  161   1HD2  LEU  20          1HD2      LEU  20   6.038   2.459   6.035
  162   2HD2  LEU  20          2HD2      LEU  20   4.714   1.645   6.867
  163   3HD2  LEU  20          3HD2      LEU  20   5.425   0.922   5.425
  164    HA   PRO  21           HA       PRO  21   3.771   8.737   7.134
  165   1HB   PRO  21          1HB       PRO  21   6.008  10.088   6.333
  166   2HB   PRO  21          2HB       PRO  21   5.823   9.356   7.936
  167   1HG   PRO  21          1HG       PRO  21   7.482   8.476   5.656
  168   2HG   PRO  21          2HG       PRO  21   7.678   8.149   7.383
  169   1HD   PRO  21          1HD       PRO  21   6.600   6.382   5.416
  170   2HD   PRO  21          2HD       PRO  21   6.638   6.130   7.177
  171    H    GLN  22           H        GLN  22   2.604   9.996   5.771
  172    HA   GLN  22           HA       GLN  22   2.609   9.497   2.952
  173   1HB   GLN  22          1HB       GLN  22   0.636  10.238   4.439
  174   2HB   GLN  22          2HB       GLN  22   1.297  11.864   4.265
  175   1HG   GLN  22          1HG       GLN  22   1.040  10.290   1.758
  176   2HG   GLN  22          2HG       GLN  22  -0.472  10.795   2.512
  177   2HE2  GLN  22          2HE2      GLN  22  -0.227  13.276   3.364
  178   1HE2  GLN  22          1HE2      GLN  22   0.396  14.337   2.196
  179    H    VAL  23           H        VAL  23   4.577  11.436   4.912
  180    HA   VAL  23           HA       VAL  23   4.955  13.790   3.516
  181    HB   VAL  23           HB       VAL  23   5.984  13.275   5.696
  182   1HG1  VAL  23          1HG1      VAL  23   6.708  10.902   4.646
  183   2HG1  VAL  23          2HG1      VAL  23   8.217  11.785   4.414
  184   3HG1  VAL  23          3HG1      VAL  23   7.532  11.618   6.030
  185   1HG2  VAL  23          1HG2      VAL  23   6.924  15.088   4.300
  186   2HG2  VAL  23          2HG2      VAL  23   8.178  14.300   5.257
  187   3HG2  VAL  23          3HG2      VAL  23   8.014  13.930   3.540
  188    H    LEU  24           H        LEU  24   5.881  10.560   2.593
  189    HA   LEU  24           HA       LEU  24   7.180  11.699   0.198
  190   1HB   LEU  24          1HB       LEU  24   8.933  10.186   0.234
  191   2HB   LEU  24          2HB       LEU  24   8.788  10.707   1.892
  192    HG   LEU  24           HG       LEU  24   9.190   8.414   2.064
  193   1HD1  LEU  24          1HD1      LEU  24   7.111   9.161   3.295
  194   2HD1  LEU  24          2HD1      LEU  24   6.168   8.469   1.976
  195   3HD1  LEU  24          3HD1      LEU  24   7.196   7.432   2.961
  196   1HD2  LEU  24          1HD2      LEU  24   8.554   8.233  -0.529
  197   2HD2  LEU  24          2HD2      LEU  24   8.624   6.812   0.513
  198   3HD2  LEU  24          3HD2      LEU  24   7.070   7.563   0.147
  199    H    LEU  25           H        LEU  25   4.571   9.962   1.228
  200    HA   LEU  25           HA       LEU  25   4.549   7.860  -0.728
  201   1HB   LEU  25          1HB       LEU  25   3.176   8.247   1.528
  202   2HB   LEU  25          2HB       LEU  25   2.026   8.941   0.409
  203    HG   LEU  25           HG       LEU  25   1.835   6.835  -0.774
  204   1HD1  LEU  25          1HD1      LEU  25   4.352   6.288   0.599
  205   2HD1  LEU  25          2HD1      LEU  25   3.198   4.971   0.813
  206   3HD1  LEU  25          3HD1      LEU  25   3.651   5.492  -0.808
  207   1HD2  LEU  25          1HD2      LEU  25   1.565   6.891   2.210
  208   2HD2  LEU  25          2HD2      LEU  25   0.308   6.816   0.975
  209   3HD2  LEU  25          3HD2      LEU  25   1.249   5.376   1.363
  210    H    SER  26           H        SER  26   2.675   7.758  -2.327
  211    HA   SER  26           HA       SER  26   2.324  10.395  -3.627
  212   1HB   SER  26          1HB       SER  26   3.867   8.520  -4.711
  213   2HB   SER  26          2HB       SER  26   2.314   7.900  -5.263
  214    HG   SER  26           HG       SER  26   3.623   9.690  -6.463
  215    H    SER  27           H        SER  27   1.049   7.072  -3.899
  216    HA   SER  27           HA       SER  27  -1.636   7.942  -3.247
  217   1HB   SER  27          1HB       SER  27  -1.522   6.634  -5.903
  218   2HB   SER  27          2HB       SER  27  -2.636   7.853  -5.295
  219    HG   SER  27           HG       SER  27  -1.293   8.796  -6.816
  220    H    TRP  28           H        TRP  28  -3.061   5.815  -4.275
  221    HA   TRP  28           HA       TRP  28  -1.652   3.364  -3.501
  222   1HB   TRP  28          1HB       TRP  28  -3.619   2.727  -2.024
  223   2HB   TRP  28          2HB       TRP  28  -2.547   3.964  -1.374
  224    HD1  TRP  28           HD1      TRP  28  -3.418   6.502  -1.419
  225    HE1  TRP  28           HE1      TRP  28  -5.803   7.477  -1.456
  226    HE3  TRP  28           HE3      TRP  28  -6.050   2.363  -2.867
  227    HZ2  TRP  28           HZ2      TRP  28  -8.470   6.616  -2.022
  228    HZ3  TRP  28           HZ3      TRP  28  -8.505   2.474  -3.149
  229    HH2  TRP  28           HH2      TRP  28  -9.720   4.593  -2.729
  230    H    TYR  29           H        TYR  29  -2.292   1.637  -4.650
  231    HA   TYR  29           HA       TYR  29  -4.719   1.968  -6.304
  232   1HB   TYR  29          1HB       TYR  29  -3.714   0.671  -8.045
  233   2HB   TYR  29          2HB       TYR  29  -2.551   1.903  -7.577
  234    HD1  TYR  29           HD1      TYR  29  -0.576   1.272  -6.137
  235    HD2  TYR  29           HD2      TYR  29  -3.262  -1.657  -7.766
  236    HE1  TYR  29           HE1      TYR  29   1.108  -0.497  -5.731
  237    HE2  TYR  29           HE2      TYR  29  -1.576  -3.428  -7.358
  238    HH   TYR  29           HH       TYR  29   0.782  -3.294  -5.359
  239    HA   PRO  30           HA       PRO  30  -6.012  -1.602  -3.932
  240   1HB   PRO  30          1HB       PRO  30  -8.529  -1.814  -4.970
  241   2HB   PRO  30          2HB       PRO  30  -8.063  -0.610  -3.758
  242   1HG   PRO  30          1HG       PRO  30  -8.629  -0.253  -6.637
  243   2HG   PRO  30          2HG       PRO  30  -8.734   0.916  -5.313
  244   1HD   PRO  30          1HD       PRO  30  -6.636   0.691  -7.229
  245   2HD   PRO  30          2HD       PRO  30  -6.654   1.725  -5.781
  246    H    THR  31           H        THR  31  -5.436  -3.645  -4.325
  247    HA   THR  31           HA       THR  31  -5.015  -4.717  -6.910
  248    HB   THR  31           HB       THR  31  -3.788  -5.634  -5.049
  249    HG1  THR  31           HG1      THR  31  -4.239  -7.152  -6.604
  250   1HG2  THR  31          1HG2      THR  31  -6.536  -6.104  -3.912
  251   2HG2  THR  31          2HG2      THR  31  -5.144  -7.026  -3.343
  252   3HG2  THR  31          3HG2      THR  31  -5.167  -5.270  -3.176
  253    H    SER  32           H        SER  32  -6.071  -6.995  -7.383
  254    HA   SER  32           HA       SER  32  -8.737  -6.527  -8.157
  255   1HB   SER  32          1HB       SER  32  -7.856  -9.341  -7.770
  256   2HB   SER  32          2HB       SER  32  -8.654  -8.590  -9.147
  257    HG   SER  32           HG       SER  32  -6.652  -8.771  -9.884
  258    H    GLN  33           H        GLN  33 -10.698  -7.401  -7.414
  259    HA   GLN  33           HA       GLN  33 -10.746  -7.853  -4.512
  260   1HB   GLN  33          1HB       GLN  33 -12.276  -6.203  -5.929
  261   2HB   GLN  33          2HB       GLN  33 -13.250  -7.663  -6.121
  262   1HG   GLN  33          1HG       GLN  33 -13.391  -7.948  -3.711
  263   2HG   GLN  33          2HG       GLN  33 -12.288  -6.596  -3.451
  264   2HE2  GLN  33          2HE2      GLN  33 -13.771  -5.178  -2.387
  265   1HE2  GLN  33          1HE2      GLN  33 -15.155  -4.555  -3.148
  266    H    LEU  34           H        LEU  34  -9.996  -9.915  -6.639
  267    HA   LEU  34           HA       LEU  34 -12.030 -11.940  -5.928
  268   1HB   LEU  34          1HB       LEU  34 -10.122 -12.113  -8.248
  269   2HB   LEU  34          2HB       LEU  34 -11.516 -13.119  -7.930
  270    HG   LEU  34           HG       LEU  34 -12.119 -11.697  -9.729
  271   1HD1  LEU  34          1HD1      LEU  34 -13.208 -10.640  -7.109
  272   2HD1  LEU  34          2HD1      LEU  34 -13.850 -10.160  -8.679
  273   3HD1  LEU  34          3HD1      LEU  34 -13.935 -11.846  -8.170
  274   1HD2  LEU  34          1HD2      LEU  34 -10.184 -10.033  -8.942
  275   2HD2  LEU  34          2HD2      LEU  34 -11.509  -9.482  -9.968
  276   3HD2  LEU  34          3HD2      LEU  34 -11.551  -9.172  -8.233
  277    H    CYS  35           H        CYS  35  -9.783 -11.115  -4.294
  278    HA   CYS  35           HA       CYS  35  -8.018 -13.480  -4.449
  279   1HB   CYS  35          1HB       CYS  35  -7.585 -11.022  -2.740
  280   2HB   CYS  35          2HB       CYS  35  -6.413 -12.268  -3.154
  281    H    SER  36           H        SER  36  -7.418 -14.494  -2.389
  282    HA   SER  36           HA       SER  36  -9.678 -15.239  -0.869
  283   1HB   SER  36          1HB       SER  36  -6.815 -15.497   0.053
  284   2HB   SER  36          2HB       SER  36  -8.185 -16.519   0.479
  285    HG   SER  36           HG       SER  36  -6.535 -17.025  -1.379
  286    H    LYS  37           H        LYS  37  -7.182 -12.826  -0.399
  287    HA   LYS  37           HA       LYS  37  -8.794 -11.432   1.550
  288   1HB   LYS  37          1HB       LYS  37  -6.971 -11.414   3.284
  289   2HB   LYS  37          2HB       LYS  37  -7.763 -12.979   3.089
  290   1HG   LYS  37          1HG       LYS  37  -5.904 -13.962   2.184
  291   2HG   LYS  37          2HG       LYS  37  -5.399 -12.487   1.358
  292   1HD   LYS  37          1HD       LYS  37  -4.199 -11.725   3.157
  293   2HD   LYS  37          2HD       LYS  37  -5.315 -12.426   4.329
  294   1HE   LYS  37          1HE       LYS  37  -3.590 -14.204   2.619
  295   2HE   LYS  37          2HE       LYS  37  -2.943 -13.480   4.091
  296   1HZ   LYS  37          1HZ       LYS  37  -4.965 -14.404   5.233
  297   2HZ   LYS  37          2HZ       LYS  37  -5.257 -15.308   3.825
  298   3HZ   LYS  37          3HZ       LYS  37  -3.829 -15.550   4.712
  299    HA   PRO  38           HA       PRO  38  -5.862  -8.886  -0.990
  300   1HB   PRO  38          1HB       PRO  38  -7.739  -7.459  -2.366
  301   2HB   PRO  38          2HB       PRO  38  -7.100  -9.019  -2.905
  302   1HG   PRO  38          1HG       PRO  38  -9.749  -8.370  -1.765
  303   2HG   PRO  38          2HG       PRO  38  -9.274  -9.705  -2.823
  304   1HD   PRO  38          1HD       PRO  38  -9.694  -9.828  -0.008
  305   2HD   PRO  38          2HD       PRO  38  -9.018 -11.108  -1.043
  306    H    GLY  39           H        GLY  39  -6.064  -6.361  -1.387
  307   1HA   GLY  39          1HA       GLY  39  -5.853  -5.013   1.000
  308   2HA   GLY  39          2HA       GLY  39  -7.543  -4.830   0.534
  309    H    VAL  40           H        VAL  40  -4.668  -3.312   0.425
  310    HA   VAL  40           HA       VAL  40  -4.808  -2.324  -2.313
  311    HB   VAL  40           HB       VAL  40  -5.164  -0.393  -0.006
  312   1HG1  VAL  40          1HG1      VAL  40  -4.069   0.091  -2.431
  313   2HG1  VAL  40          2HG1      VAL  40  -5.773   0.315  -2.821
  314   3HG1  VAL  40          3HG1      VAL  40  -5.024   1.280  -1.550
  315   1HG2  VAL  40          1HG2      VAL  40  -7.158  -1.482  -2.009
  316   2HG2  VAL  40          2HG2      VAL  40  -7.212  -1.670  -0.256
  317   3HG2  VAL  40          3HG2      VAL  40  -7.454  -0.080  -0.981
  318    H    ILE  41           H        ILE  41  -2.895  -1.548  -3.019
  319    HA   ILE  41           HA       ILE  41  -0.649  -1.646  -1.122
  320    HB   ILE  41           HB       ILE  41  -0.787  -1.817  -4.139
  321   1HG1  ILE  41          1HG1      ILE  41   0.399  -4.032  -3.536
  322   2HG1  ILE  41          2HG1      ILE  41  -0.143  -3.712  -1.888
  323   1HG2  ILE  41          1HG2      ILE  41   1.610  -1.557  -2.309
  324   2HG2  ILE  41          2HG2      ILE  41   1.728  -2.295  -3.907
  325   3HG2  ILE  41          3HG2      ILE  41   1.234  -0.607  -3.748
  326   1HD1  ILE  41          1HD1      ILE  41  -2.104  -3.556  -4.160
  327   2HD1  ILE  41          2HD1      ILE  41  -1.672  -5.125  -3.480
  328   3HD1  ILE  41          3HD1      ILE  41  -2.405  -3.892  -2.454
  329    H    PHE  42           H        PHE  42   0.938   0.019  -1.138
  330    HA   PHE  42           HA       PHE  42  -0.101   2.634  -2.064
  331   1HB   PHE  42          1HB       PHE  42   1.470   1.860   0.390
  332   2HB   PHE  42          2HB       PHE  42   1.475   3.517  -0.214
  333    HD1  PHE  42           HD1      PHE  42  -0.718   0.771   1.005
  334    HD2  PHE  42           HD2      PHE  42  -0.395   4.956   0.095
  335    HE1  PHE  42           HE1      PHE  42  -2.910   1.177   2.093
  336    HE2  PHE  42           HE2      PHE  42  -2.587   5.361   1.181
  337    HZ   PHE  42           HZ       PHE  42  -3.843   3.473   2.184
  338    H    LEU  43           H        LEU  43   1.049   3.572  -3.620
  339    HA   LEU  43           HA       LEU  43   3.788   2.617  -4.128
  340   1HB   LEU  43          1HB       LEU  43   2.590   4.562  -5.995
  341   2HB   LEU  43          2HB       LEU  43   3.510   3.111  -6.319
  342    HG   LEU  43           HG       LEU  43   1.194   2.001  -5.455
  343   1HD1  LEU  43          1HD1      LEU  43   0.312   4.429  -5.264
  344   2HD1  LEU  43          2HD1      LEU  43   0.271   4.406  -7.027
  345   3HD1  LEU  43          3HD1      LEU  43  -0.701   3.258  -6.107
  346   1HD2  LEU  43          1HD2      LEU  43   1.793   3.025  -8.251
  347   2HD2  LEU  43          2HD2      LEU  43   2.350   1.497  -7.567
  348   3HD2  LEU  43          3HD2      LEU  43   0.630   1.757  -7.864
  349    H    THR  44           H        THR  44   5.209   3.731  -2.905
  350    HA   THR  44           HA       THR  44   4.866   6.419  -2.067
  351    HB   THR  44           HB       THR  44   7.308   6.300  -1.525
  352    HG1  THR  44           HG1      THR  44   7.703   4.830  -3.361
  353   1HG2  THR  44          1HG2      THR  44   5.267   4.327  -0.653
  354   2HG2  THR  44          2HG2      THR  44   6.931   4.003  -0.170
  355   3HG2  THR  44          3HG2      THR  44   6.159   5.519   0.293
  356    H    LYS  45           H        LYS  45   6.601   8.117  -2.631
  357    HA   LYS  45           HA       LYS  45   6.291   8.850  -5.343
  358   1HB   LYS  45          1HB       LYS  45   8.116   9.836  -3.152
  359   2HB   LYS  45          2HB       LYS  45   8.167  10.511  -4.781
  360   1HG   LYS  45          1HG       LYS  45   6.083  11.484  -4.595
  361   2HG   LYS  45          2HG       LYS  45   5.493  10.252  -3.480
  362   1HD   LYS  45          1HD       LYS  45   5.767  11.943  -1.955
  363   2HD   LYS  45          2HD       LYS  45   7.424  11.338  -1.942
  364   1HE   LYS  45          1HE       LYS  45   8.235  13.121  -3.148
  365   2HE   LYS  45          2HE       LYS  45   6.728  13.339  -4.038
  366   1HZ   LYS  45          1HZ       LYS  45   6.958  13.920  -1.145
  367   2HZ   LYS  45          2HZ       LYS  45   7.286  15.089  -2.334
  368   3HZ   LYS  45          3HZ       LYS  45   5.735  14.405  -2.216
  369    H    ARG  46           H        ARG  46   9.226   7.849  -3.587
  370    HA   ARG  46           HA       ARG  46  10.255   6.707  -6.114
  371   1HB   ARG  46          1HB       ARG  46  11.346   8.895  -5.507
  372   2HB   ARG  46          2HB       ARG  46  11.951   8.106  -4.049
  373   1HG   ARG  46          1HG       ARG  46  13.379   6.705  -5.233
  374   2HG   ARG  46          2HG       ARG  46  12.405   6.784  -6.701
  375   1HD   ARG  46          1HD       ARG  46  13.067   9.230  -6.870
  376   2HD   ARG  46          2HD       ARG  46  14.225   8.924  -5.580
  377    HE   ARG  46           HE       ARG  46  14.529   7.047  -7.721
  378   1HH1  ARG  46          1HH1      ARG  46  15.231  10.341  -6.763
  379   2HH1  ARG  46          2HH1      ARG  46  16.615  10.464  -7.793
  380   1HH2  ARG  46          1HH2      ARG  46  16.341   7.252  -9.049
  381   2HH2  ARG  46          2HH2      ARG  46  17.239   8.732  -9.076
  382    H    GLY  47           H        GLY  47   9.281   5.973  -3.030
  383   1HA   GLY  47          1HA       GLY  47   9.792   4.327  -1.503
  384   2HA   GLY  47          2HA       GLY  47  11.401   4.230  -2.212
  385    H    ARG  48           H        ARG  48   8.467   2.683  -1.823
  386    HA   ARG  48           HA       ARG  48   8.595   1.079  -4.256
  387   1HB   ARG  48          1HB       ARG  48   9.659   0.167  -1.654
  388   2HB   ARG  48          2HB       ARG  48   8.562  -0.963  -2.441
  389   1HG   ARG  48          1HG       ARG  48  10.458  -1.614  -3.540
  390   2HG   ARG  48          2HG       ARG  48  10.086  -0.227  -4.565
  391   1HD   ARG  48          1HD       ARG  48  11.439   1.029  -2.600
  392   2HD   ARG  48          2HD       ARG  48  12.208  -0.551  -2.509
  393    HE   ARG  48           HE       ARG  48  12.515   1.389  -4.616
  394   1HH1  ARG  48          1HH1      ARG  48  12.566  -2.030  -3.863
  395   2HH1  ARG  48          2HH1      ARG  48  13.610  -2.421  -5.186
  396   1HH2  ARG  48          1HH2      ARG  48  13.875   0.835  -6.328
  397   2HH2  ARG  48          2HH2      ARG  48  14.346  -0.814  -6.570
  398    H    GLN  49           H        GLN  49   7.018  -0.987  -3.669
  399    HA   GLN  49           HA       GLN  49   4.467   0.299  -3.029
  400   1HB   GLN  49          1HB       GLN  49   5.297  -2.161  -4.495
  401   2HB   GLN  49          2HB       GLN  49   3.711  -2.158  -3.726
  402   1HG   GLN  49          1HG       GLN  49   2.960  -0.322  -5.003
  403   2HG   GLN  49          2HG       GLN  49   4.600   0.146  -5.455
  404   2HE2  GLN  49          2HE2      GLN  49   3.116  -3.123  -5.577
  405   1HE2  GLN  49          1HE2      GLN  49   3.318  -3.316  -7.251
  406    H    VAL  50           H        VAL  50   3.052  -0.468  -1.443
  407    HA   VAL  50           HA       VAL  50   4.022  -2.569   0.367
  408    HB   VAL  50           HB       VAL  50   3.240   0.202   1.316
  409   1HG1  VAL  50          1HG1      VAL  50   3.986  -2.350   2.764
  410   2HG1  VAL  50          2HG1      VAL  50   4.049  -0.764   3.532
  411   3HG1  VAL  50          3HG1      VAL  50   2.512  -1.398   2.944
  412   1HG2  VAL  50          1HG2      VAL  50   5.863  -1.236   0.998
  413   2HG2  VAL  50          2HG2      VAL  50   5.447   0.418   0.549
  414   3HG2  VAL  50          3HG2      VAL  50   5.668  -0.005   2.246
  415    H    CYS  51           H        CYS  51   2.425  -3.877   0.957
  416    HA   CYS  51           HA       CYS  51  -0.289  -3.360   0.135
  417   1HB   CYS  51          1HB       CYS  51   0.963  -5.591   1.752
  418   2HB   CYS  51          2HB       CYS  51  -0.743  -5.541   1.313
  419    H    ALA  52           H        ALA  52  -1.975  -2.660   1.361
  420    HA   ALA  52           HA       ALA  52  -1.741  -2.601   4.268
  421   1HB   ALA  52          1HB       ALA  52  -0.852  -0.500   4.152
  422   2HB   ALA  52          2HB       ALA  52  -2.550  -0.057   3.983
  423   3HB   ALA  52          3HB       ALA  52  -1.529  -0.186   2.553
  424    H    ASP  53           H        ASP  53  -3.655  -2.911   5.204
  425    HA   ASP  53           HA       ASP  53  -6.029  -3.035   3.498
  426   1HB   ASP  53          1HB       ASP  53  -5.442  -3.976   6.307
  427   2HB   ASP  53          2HB       ASP  53  -7.067  -3.999   5.622
  428    H    LYS  54           H        LYS  54  -7.765  -1.716   3.682
  429    HA   LYS  54           HA       LYS  54  -7.482   0.857   4.769
  430   1HB   LYS  54          1HB       LYS  54  -9.151  -0.027   2.979
  431   2HB   LYS  54          2HB       LYS  54 -10.181  -0.403   4.361
  432   1HG   LYS  54          1HG       LYS  54  -8.936   2.312   4.251
  433   2HG   LYS  54          2HG       LYS  54 -10.284   1.979   3.163
  434   1HD   LYS  54          1HD       LYS  54 -11.260   0.930   5.476
  435   2HD   LYS  54          2HD       LYS  54 -10.259   2.235   6.116
  436   1HE   LYS  54          1HE       LYS  54 -12.316   2.597   3.920
  437   2HE   LYS  54          2HE       LYS  54 -12.620   2.936   5.624
  438   1HZ   LYS  54          1HZ       LYS  54 -10.278   4.134   4.315
  439   2HZ   LYS  54          2HZ       LYS  54 -11.812   4.813   4.045
  440   3HZ   LYS  54          3HZ       LYS  54 -11.197   4.712   5.623
  441    H    SER  55           H        SER  55  -8.620  -2.120   6.189
  442    HA   SER  55           HA       SER  55 -10.134  -1.152   8.330
  443   1HB   SER  55          1HB       SER  55  -8.660  -3.637   7.738
  444   2HB   SER  55          2HB       SER  55  -8.939  -3.317   9.446
  445    HG   SER  55           HG       SER  55 -10.635  -4.305   7.743
  446    H    LYS  56           H        LYS  56  -6.678  -1.217   7.830
  447    HA   LYS  56           HA       LYS  56  -5.803  -0.891  10.487
  448   1HB   LYS  56          1HB       LYS  56  -4.658  -0.262   7.798
  449   2HB   LYS  56          2HB       LYS  56  -3.882   0.422   9.226
  450   1HG   LYS  56          1HG       LYS  56  -4.593  -2.492   9.211
  451   2HG   LYS  56          2HG       LYS  56  -3.151  -1.955   8.348
  452   1HD   LYS  56          1HD       LYS  56  -2.377  -0.816  10.430
  453   2HD   LYS  56          2HD       LYS  56  -3.770  -1.489  11.278
  454   1HE   LYS  56          1HE       LYS  56  -2.170  -3.104  11.753
  455   2HE   LYS  56          2HE       LYS  56  -2.871  -3.770  10.278
  456   1HZ   LYS  56          1HZ       LYS  56  -0.459  -2.042  10.387
  457   2HZ   LYS  56          2HZ       LYS  56  -0.439  -3.733  10.225
  458   3HZ   LYS  56          3HZ       LYS  56  -1.112  -2.766   8.999
  459    H    ASP  57           H        ASP  57  -4.468   1.311  10.915
  460    HA   ASP  57           HA       ASP  57  -6.538   3.403  10.959
  461   1HB   ASP  57          1HB       ASP  57  -4.098   2.858  12.631
  462   2HB   ASP  57          2HB       ASP  57  -4.851   4.452  12.625
  463    H    TRP  58           H        TRP  58  -2.987   3.246  10.625
  464    HA   TRP  58           HA       TRP  58  -2.715   5.808   9.502
  465   1HB   TRP  58          1HB       TRP  58  -0.486   5.030   8.699
  466   2HB   TRP  58          2HB       TRP  58  -0.767   4.732  10.410
  467    HD1  TRP  58           HD1      TRP  58  -1.202   2.197  11.166
  468    HE1  TRP  58           HE1      TRP  58  -0.516  -0.032  10.075
  469    HE3  TRP  58           HE3      TRP  58  -0.150   3.815   6.446
  470    HZ2  TRP  58           HZ2      TRP  58   0.364  -1.009   7.520
  471    HZ3  TRP  58           HZ3      TRP  58   0.609   2.225   4.706
  472    HH2  TRP  58           HH2      TRP  58   0.865  -0.181   5.237
  473    H    VAL  59           H        VAL  59  -3.582   2.751   8.077
  474    HA   VAL  59           HA       VAL  59  -3.082   3.483   5.356
  475    HB   VAL  59           HB       VAL  59  -5.053   1.448   6.425
  476   1HG1  VAL  59          1HG1      VAL  59  -3.758   1.930   3.733
  477   2HG1  VAL  59          2HG1      VAL  59  -4.489   0.385   4.165
  478   3HG1  VAL  59          3HG1      VAL  59  -5.479   1.843   4.107
  479   1HG2  VAL  59          1HG2      VAL  59  -2.109   1.230   5.729
  480   2HG2  VAL  59          2HG2      VAL  59  -2.838   0.988   7.316
  481   3HG2  VAL  59          3HG2      VAL  59  -3.164  -0.154   6.012
  482    H    LYS  60           H        LYS  60  -5.749   3.836   7.596
  483    HA   LYS  60           HA       LYS  60  -7.738   4.601   5.719
  484   1HB   LYS  60          1HB       LYS  60  -7.886   3.928   8.278
  485   2HB   LYS  60          2HB       LYS  60  -7.759   5.671   8.509
  486   1HG   LYS  60          1HG       LYS  60  -9.625   5.858   6.736
  487   2HG   LYS  60          2HG       LYS  60  -9.879   4.134   7.007
  488   1HD   LYS  60          1HD       LYS  60 -10.325   4.503   9.359
  489   2HD   LYS  60          2HD       LYS  60  -9.889   6.207   9.218
  490   1HE   LYS  60          1HE       LYS  60 -12.009   5.226   7.376
  491   2HE   LYS  60          2HE       LYS  60 -12.442   5.350   9.082
  492   1HZ   LYS  60          1HZ       LYS  60 -11.033   7.575   7.777
  493   2HZ   LYS  60          2HZ       LYS  60 -12.704   7.391   7.533
  494   3HZ   LYS  60          3HZ       LYS  60 -12.089   7.604   9.102
  495    H    LYS  61           H        LYS  61  -5.543   6.473   7.801
  496    HA   LYS  61           HA       LYS  61  -6.441   9.036   7.080
  497   1HB   LYS  61          1HB       LYS  61  -4.816   8.403   8.956
  498   2HB   LYS  61          2HB       LYS  61  -3.563   8.391   7.714
  499   1HG   LYS  61          1HG       LYS  61  -3.837  10.692   7.248
  500   2HG   LYS  61          2HG       LYS  61  -5.408  10.754   8.048
  501   1HD   LYS  61          1HD       LYS  61  -2.854  10.111   9.534
  502   2HD   LYS  61          2HD       LYS  61  -3.459  11.758   9.357
  503   1HE   LYS  61          1HE       LYS  61  -5.718  10.651  10.221
  504   2HE   LYS  61          2HE       LYS  61  -4.601   9.478  10.919
  505   1HZ   LYS  61          1HZ       LYS  61  -4.113  12.362  11.252
  506   2HZ   LYS  61          2HZ       LYS  61  -5.229  11.573  12.256
  507   3HZ   LYS  61          3HZ       LYS  61  -3.608  11.068  12.231
  508    H    LEU  62           H        LEU  62  -3.952   6.963   5.635
  509    HA   LEU  62           HA       LEU  62  -2.997   8.810   3.725
  510   1HB   LEU  62          1HB       LEU  62  -3.170   5.808   3.552
  511   2HB   LEU  62          2HB       LEU  62  -2.251   6.826   2.466
  512    HG   LEU  62           HG       LEU  62  -1.673   6.983   5.394
  513   1HD1  LEU  62          1HD1      LEU  62  -1.183   4.658   3.577
  514   2HD1  LEU  62          2HD1      LEU  62   0.089   5.109   4.713
  515   3HD1  LEU  62          3HD1      LEU  62  -1.513   4.678   5.308
  516   1HD2  LEU  62          1HD2      LEU  62  -0.362   7.558   2.784
  517   2HD2  LEU  62          2HD2      LEU  62  -0.265   8.439   4.308
  518   3HD2  LEU  62          3HD2      LEU  62   0.689   6.974   4.075
  519    H    MET  63           H        MET  63  -5.568   6.392   3.599
  520    HA   MET  63           HA       MET  63  -6.308   6.580   0.923
  521   1HB   MET  63          1HB       MET  63  -7.886   6.015   3.420
  522   2HB   MET  63          2HB       MET  63  -8.675   6.077   1.844
  523   1HG   MET  63          1HG       MET  63  -6.549   4.505   1.237
  524   2HG   MET  63          2HG       MET  63  -6.771   4.073   2.930
  525   1HE   MET  63          1HE       MET  63  -7.175   3.367  -0.278
  526   2HE   MET  63          2HE       MET  63  -7.445   1.758   0.385
  527   3HE   MET  63          3HE       MET  63  -8.687   2.512  -0.612
  528    H    GLN  64           H        GLN  64  -7.107   8.688   3.623
  529    HA   GLN  64           HA       GLN  64  -8.887  10.328   2.002
  530   1HB   GLN  64          1HB       GLN  64  -8.999   9.825   4.596
  531   2HB   GLN  64          2HB       GLN  64  -7.893  11.197   4.684
  532   1HG   GLN  64          1HG       GLN  64  -9.496  12.564   3.385
  533   2HG   GLN  64          2HG       GLN  64 -10.609  11.196   3.332
  534   2HE2  GLN  64          2HE2      GLN  64  -8.627  12.669   5.972
  535   1HE2  GLN  64          1HE2      GLN  64  -9.925  12.818   7.054
  536    H    GLN  65           H        GLN  65  -5.586  10.343   3.165
  537    HA   GLN  65           HA       GLN  65  -5.053  13.094   2.567
  538   1HB   GLN  65          1HB       GLN  65  -3.404  10.706   3.290
  539   2HB   GLN  65          2HB       GLN  65  -2.603  12.123   2.614
  540   1HG   GLN  65          1HG       GLN  65  -4.221  13.319   4.438
  541   2HG   GLN  65          2HG       GLN  65  -3.936  11.776   5.242
  542   2HE2  GLN  65          2HE2      GLN  65  -2.017  11.635   6.413
  543   1HE2  GLN  65          1HE2      GLN  65  -0.680  12.660   6.210
  544    H    LEU  66           H        LEU  66  -4.791  10.055   0.817
  545    HA   LEU  66           HA       LEU  66  -3.827  11.549  -1.551
  546   1HB   LEU  66          1HB       LEU  66  -3.640   8.576  -1.260
  547   2HB   LEU  66          2HB       LEU  66  -2.720   9.638  -2.302
  548    HG   LEU  66           HG       LEU  66  -2.422   9.348   0.697
  549   1HD1  LEU  66          1HD1      LEU  66  -0.645   8.629  -1.654
  550   2HD1  LEU  66          2HD1      LEU  66  -0.148   8.545   0.037
  551   3HD1  LEU  66          3HD1      LEU  66  -1.440   7.500  -0.557
  552   1HD2  LEU  66          1HD2      LEU  66  -1.460  11.379  -1.262
  553   2HD2  LEU  66          2HD2      LEU  66  -1.802  11.553   0.459
  554   3HD2  LEU  66          3HD2      LEU  66  -0.292  10.810  -0.069
  555    HA   PRO  67           HA       PRO  67  -7.682  10.434  -3.391
  556   1HB   PRO  67          1HB       PRO  67  -7.035  10.673  -6.044
  557   2HB   PRO  67          2HB       PRO  67  -7.304  12.050  -4.964
  558   1HG   PRO  67          1HG       PRO  67  -4.760  10.974  -6.042
  559   2HG   PRO  67          2HG       PRO  67  -5.168  12.623  -5.547
  560   1HD   PRO  67          1HD       PRO  67  -3.666  10.764  -4.041
  561   2HD   PRO  67          2HD       PRO  67  -4.368  12.282  -3.432
  562    H    VAL  68           H        VAL  68  -5.574   9.157  -5.950
  563    HA   VAL  68           HA       VAL  68  -5.439   6.495  -5.187
  564    HB   VAL  68           HB       VAL  68  -8.096   7.074  -5.646
  565   1HG1  VAL  68          1HG1      VAL  68  -7.566   7.305  -8.130
  566   2HG1  VAL  68          2HG1      VAL  68  -7.220   5.577  -8.119
  567   3HG1  VAL  68          3HG1      VAL  68  -8.836   6.155  -7.714
  568   1HG2  VAL  68          1HG2      VAL  68  -6.752   5.025  -4.682
  569   2HG2  VAL  68          2HG2      VAL  68  -8.415   4.821  -5.232
  570   3HG2  VAL  68          3HG2      VAL  68  -7.075   4.333  -6.271
  571    H    THR  69           H        THR  69  -4.980   5.026  -7.101
  572    HA   THR  69           HA       THR  69  -3.103   6.365  -8.813
  573    HB   THR  69           HB       THR  69  -3.188   3.925  -9.896
  574    HG1  THR  69           HG1      THR  69  -5.021   3.352  -8.637
  575   1HG2  THR  69          1HG2      THR  69  -1.361   5.086  -8.541
  576   2HG2  THR  69          2HG2      THR  69  -2.067   4.321  -7.117
  577   3HG2  THR  69          3HG2      THR  69  -1.412   3.327  -8.419
  578    H    ALA  70           H        ALA  70  -3.113   6.290 -11.139
  579    HA   ALA  70           HA       ALA  70  -4.061   6.692 -13.195
  580   1HB   ALA  70          1HB       ALA  70  -5.944   5.334 -13.870
  581   2HB   ALA  70          2HB       ALA  70  -4.865   4.339 -12.891
  582   3HB   ALA  70          3HB       ALA  70  -6.348   4.985 -12.189
  583    H    ARG  71           H        ARG  71  -4.407   8.881 -12.973
  584    HA   ARG  71           HA       ARG  71  -7.158   9.670 -12.208
  585   1HB   ARG  71          1HB       ARG  71  -6.175  11.888 -11.589
  586   2HB   ARG  71          2HB       ARG  71  -5.622  10.561 -10.566
  587   1HG   ARG  71          1HG       ARG  71  -3.492  10.548 -11.494
  588   2HG   ARG  71          2HG       ARG  71  -4.040  11.253 -13.016
  589   1HD   ARG  71          1HD       ARG  71  -4.628  13.326 -11.503
  590   2HD   ARG  71          2HD       ARG  71  -3.455  12.609 -10.404
  591    HE   ARG  71           HE       ARG  71  -2.883  13.940 -12.892
  592   1HH1  ARG  71          1HH1      ARG  71  -1.781  11.476 -10.664
  593   2HH1  ARG  71          2HH1      ARG  71  -0.129  11.610 -11.157
  594   1HH2  ARG  71          1HH2      ARG  71  -0.718  14.082 -13.505
  595   2HH2  ARG  71          2HH2      ARG  71   0.470  13.072 -12.751

  No H/Q in entry =         595
  Start of MODEL    8
    1    H1   LEU   1           H1       LEU   1   3.038 -16.455   7.492
    2    H2   LEU   1           H2       LEU   1   4.243 -17.223   8.405
    3    H3   LEU   1           H3       LEU   1   3.396 -15.904   9.059
    4    HA   LEU   1           HA       LEU   1   4.484 -14.360   7.766
    5   1HB   LEU   1          1HB       LEU   1   6.181 -16.584   8.767
    6   2HB   LEU   1          2HB       LEU   1   6.964 -15.470   7.650
    7    HG   LEU   1           HG       LEU   1   7.256 -14.741   9.992
    8   1HD1  LEU   1          1HD1      LEU   1   6.852 -13.135   7.976
    9   2HD1  LEU   1          2HD1      LEU   1   5.299 -12.820   8.753
   10   3HD1  LEU   1          3HD1      LEU   1   6.801 -12.474   9.610
   11   1HD2  LEU   1          1HD2      LEU   1   4.805 -15.725  10.481
   12   2HD2  LEU   1          2HD2      LEU   1   5.522 -14.464  11.483
   13   3HD2  LEU   1          3HD2      LEU   1   4.366 -14.037  10.222
   14    H    GLY   2           H        GLY   2   6.513 -14.356   6.053
   15   1HA   GLY   2          1HA       GLY   2   5.366 -15.592   3.636
   16   2HA   GLY   2          2HA       GLY   2   7.075 -15.834   3.990
   17    H    ALA   3           H        ALA   3   8.522 -14.193   3.620
   18    HA   ALA   3           HA       ALA   3   7.762 -11.479   3.145
   19   1HB   ALA   3          1HB       ALA   3  10.001 -11.974   3.938
   20   2HB   ALA   3          2HB       ALA   3  10.323 -12.965   2.516
   21   3HB   ALA   3          3HB       ALA   3  10.113 -11.223   2.347
   22    H    SER   4           H        SER   4   6.987 -10.585   1.362
   23    HA   SER   4           HA       SER   4   6.259 -10.312  -0.799
   24   1HB   SER   4          1HB       SER   4   7.871 -10.557  -2.500
   25   2HB   SER   4          2HB       SER   4   8.819 -10.257  -1.048
   26    HG   SER   4           HG       SER   4   8.848 -12.378  -2.678
   27    H    TRP   5           H        TRP   5   6.073 -11.674  -3.015
   28    HA   TRP   5           HA       TRP   5   5.660 -14.478  -2.781
   29   1HB   TRP   5          1HB       TRP   5   3.452 -12.727  -1.964
   30   2HB   TRP   5          2HB       TRP   5   2.996 -13.847  -3.247
   31    HD1  TRP   5           HD1      TRP   5   3.398 -13.660   0.399
   32    HE1  TRP   5           HE1      TRP   5   3.345 -16.014   1.449
   33    HE3  TRP   5           HE3      TRP   5   3.915 -16.513  -3.805
   34    HZ2  TRP   5           HZ2      TRP   5   3.502 -18.746   0.617
   35    HZ3  TRP   5           HZ3      TRP   5   3.959 -18.986  -3.648
   36    HH2  TRP   5           HH2      TRP   5   3.753 -20.105  -1.445
   37    H    HIS   6           H        HIS   6   5.285 -15.412  -4.753
   38    HA   HIS   6           HA       HIS   6   4.983 -13.550  -7.035
   39   1HB   HIS   6          1HB       HIS   6   6.298 -15.231  -8.349
   40   2HB   HIS   6          2HB       HIS   6   7.221 -14.462  -7.059
   41    HD1  HIS   6           HD1      HIS   6   7.416 -15.902  -4.775
   42    HD2  HIS   6           HD2      HIS   6   6.156 -18.003  -8.147
   43    HE1  HIS   6           HE1      HIS   6   7.709 -18.359  -4.238
   44    H    ARG   7           H        ARG   7   2.694 -13.846  -6.926
   45    HA   ARG   7           HA       ARG   7   1.824 -16.448  -8.039
   46   1HB   ARG   7          1HB       ARG   7   0.492 -14.732  -5.943
   47   2HB   ARG   7          2HB       ARG   7  -0.399 -15.933  -6.879
   48   1HG   ARG   7          1HG       ARG   7   2.148 -16.658  -5.434
   49   2HG   ARG   7          2HG       ARG   7   0.589 -16.686  -4.610
   50   1HD   ARG   7          1HD       ARG   7   0.761 -18.039  -7.260
   51   2HD   ARG   7          2HD       ARG   7   1.549 -18.828  -5.899
   52    HE   ARG   7           HE       ARG   7  -1.295 -18.559  -6.327
   53   1HH1  ARG   7          1HH1      ARG   7   1.222 -18.958  -3.927
   54   2HH1  ARG   7          2HH1      ARG   7   0.161 -19.686  -2.771
   55   1HH2  ARG   7          1HH2      ARG   7  -2.644 -19.511  -4.791
   56   2HH2  ARG   7          2HH2      ARG   7  -2.010 -19.998  -3.254
   57    HA   PRO   8           HA       PRO   8  -0.065 -13.997 -11.193
   58   1HB   PRO   8          1HB       PRO   8  -2.121 -15.620 -11.970
   59   2HB   PRO   8          2HB       PRO   8  -0.419 -15.947 -12.332
   60   1HG   PRO   8          1HG       PRO   8  -2.212 -17.273 -10.391
   61   2HG   PRO   8          2HG       PRO   8  -0.765 -17.896 -11.196
   62   1HD   PRO   8          1HD       PRO   8  -0.943 -16.936  -8.521
   63   2HD   PRO   8          2HD       PRO   8   0.542 -17.361  -9.404
   64    H    ASP   9           H        ASP   9  -0.786 -12.392  -9.504
   65    HA   ASP   9           HA       ASP   9  -3.480 -11.652  -9.888
   66   1HB   ASP   9          1HB       ASP   9  -4.293 -11.938  -7.539
   67   2HB   ASP   9          2HB       ASP   9  -4.065 -13.464  -8.393
   68    H    LYS  10           H        LYS  10  -0.710 -11.535  -7.702
   69    HA   LYS  10           HA       LYS  10   0.400  -9.777  -6.719
   70   1HB   LYS  10          1HB       LYS  10   0.063  -8.986  -9.249
   71   2HB   LYS  10          2HB       LYS  10  -0.944  -7.769  -8.461
   72   1HG   LYS  10          1HG       LYS  10   1.185  -7.668  -6.822
   73   2HG   LYS  10          2HG       LYS  10   2.000  -8.190  -8.297
   74   1HD   LYS  10          1HD       LYS  10   0.124  -5.814  -8.151
   75   2HD   LYS  10          2HD       LYS  10   1.880  -5.692  -8.050
   76   1HE   LYS  10          1HE       LYS  10   0.784  -7.248 -10.337
   77   2HE   LYS  10          2HE       LYS  10   0.554  -5.500 -10.387
   78   1HZ   LYS  10          1HZ       LYS  10   3.157  -6.855  -9.931
   79   2HZ   LYS  10          2HZ       LYS  10   2.645  -6.219 -11.421
   80   3HZ   LYS  10          3HZ       LYS  10   2.904  -5.183 -10.103
   81    H    CYS  11           H        CYS  11  -2.215 -10.591  -5.745
   82    HA   CYS  11           HA       CYS  11  -3.609  -8.179  -4.955
   83   1HB   CYS  11          1HB       CYS  11  -3.952 -11.090  -4.234
   84   2HB   CYS  11          2HB       CYS  11  -4.934  -9.805  -3.529
   85    H    CYS  12           H        CYS  12  -1.073 -10.185  -3.679
   86    HA   CYS  12           HA       CYS  12   0.244  -9.970  -1.806
   87   1HB   CYS  12          1HB       CYS  12  -0.160  -7.433  -2.459
   88   2HB   CYS  12          2HB       CYS  12  -1.124  -7.441  -0.983
   89    H    LEU  13           H        LEU  13  -0.203 -11.403  -0.281
   90    HA   LEU  13           HA       LEU  13  -2.798 -11.506   1.002
   91   1HB   LEU  13          1HB       LEU  13  -1.073 -13.435   0.379
   92   2HB   LEU  13          2HB       LEU  13  -0.493 -13.099   1.996
   93    HG   LEU  13           HG       LEU  13  -3.083 -13.360   2.578
   94   1HD1  LEU  13          1HD1      LEU  13  -3.549 -13.703   0.083
   95   2HD1  LEU  13          2HD1      LEU  13  -2.752 -15.266   0.254
   96   3HD1  LEU  13          3HD1      LEU  13  -4.217 -14.919   1.173
   97   1HD2  LEU  13          1HD2      LEU  13  -0.932 -15.427   2.178
   98   2HD2  LEU  13          2HD2      LEU  13  -1.565 -14.766   3.685
   99   3HD2  LEU  13          3HD2      LEU  13  -2.525 -15.915   2.754
  100    H    GLY  14           H        GLY  14   0.510 -11.404   2.307
  101   1HA   GLY  14          1HA       GLY  14   1.376 -10.421   4.205
  102   2HA   GLY  14          2HA       GLY  14  -0.238 -10.564   4.896
  103    H    TYR  15           H        TYR  15   1.299  -8.386   5.525
  104    HA   TYR  15           HA       TYR  15   0.618  -6.171   3.770
  105   1HB   TYR  15          1HB       TYR  15  -0.678  -6.498   6.483
  106   2HB   TYR  15          2HB       TYR  15  -0.611  -4.967   5.612
  107    HD1  TYR  15           HD1      TYR  15  -1.706  -4.748   3.378
  108    HD2  TYR  15           HD2      TYR  15  -2.182  -8.249   5.816
  109    HE1  TYR  15           HE1      TYR  15  -3.668  -5.423   2.021
  110    HE2  TYR  15           HE2      TYR  15  -4.144  -8.928   4.458
  111    HH   TYR  15           HH       TYR  15  -5.844  -6.995   2.594
  112    H    GLN  16           H        GLN  16   1.182  -4.034   4.996
  113    HA   GLN  16           HA       GLN  16   3.932  -4.093   5.566
  114   1HB   GLN  16          1HB       GLN  16   2.731  -2.067   4.783
  115   2HB   GLN  16          2HB       GLN  16   1.933  -1.954   6.342
  116   1HG   GLN  16          1HG       GLN  16   3.928  -0.446   6.130
  117   2HG   GLN  16          2HG       GLN  16   4.053  -1.585   7.464
  118   2HE2  GLN  16          2HE2      GLN  16   5.576  -0.504   4.558
  119   1HE2  GLN  16          1HE2      GLN  16   6.795  -1.682   4.510
  120    H    LYS  17           H        LYS  17   1.218  -3.480   7.765
  121    HA   LYS  17           HA       LYS  17   0.891  -4.191   9.958
  122   1HB   LYS  17          1HB       LYS  17   2.830  -5.936   9.441
  123   2HB   LYS  17          2HB       LYS  17   3.766  -4.829  10.446
  124   1HG   LYS  17          1HG       LYS  17   1.062  -5.607  11.433
  125   2HG   LYS  17          2HG       LYS  17   2.329  -6.831  11.506
  126   1HD   LYS  17          1HD       LYS  17   3.577  -5.651  13.044
  127   2HD   LYS  17          2HD       LYS  17   3.010  -4.087  12.461
  128   1HE   LYS  17          1HE       LYS  17   0.923  -4.307  13.586
  129   2HE   LYS  17          2HE       LYS  17   1.179  -6.026  13.882
  130   1HZ   LYS  17          1HZ       LYS  17   3.185  -5.302  15.212
  131   2HZ   LYS  17          2HZ       LYS  17   2.552  -3.727  15.141
  132   3HZ   LYS  17          3HZ       LYS  17   1.669  -4.967  15.894
  133    H    ARG  18           H        ARG  18   3.917  -2.508   9.178
  134    HA   ARG  18           HA       ARG  18   3.587  -0.814  11.551
  135   1HB   ARG  18          1HB       ARG  18   5.824   0.094  10.889
  136   2HB   ARG  18          2HB       ARG  18   5.842  -1.643  11.199
  137   1HG   ARG  18          1HG       ARG  18   5.871  -2.162   8.875
  138   2HG   ARG  18          2HG       ARG  18   5.440  -0.512   8.425
  139   1HD   ARG  18          1HD       ARG  18   7.854  -0.979   8.066
  140   2HD   ARG  18          2HD       ARG  18   7.589   0.310   9.235
  141    HE   ARG  18           HE       ARG  18   7.767  -2.045  10.704
  142   1HH1  ARG  18          1HH1      ARG  18   9.807  -0.215   8.525
  143   2HH1  ARG  18          2HH1      ARG  18  11.274  -0.738   9.278
  144   1HH2  ARG  18          1HH2      ARG  18   9.704  -2.702  11.655
  145   2HH2  ARG  18          2HH2      ARG  18  11.218  -2.134  11.035
  146    HA   PRO  19           HA       PRO  19   1.936   2.393   8.985
  147   1HB   PRO  19          1HB       PRO  19   2.245   4.519  10.672
  148   2HB   PRO  19          2HB       PRO  19   1.017   3.263  10.882
  149   1HG   PRO  19          1HG       PRO  19   3.491   3.732  12.420
  150   2HG   PRO  19          2HG       PRO  19   2.011   2.888  12.895
  151   1HD   PRO  19          1HD       PRO  19   4.476   1.703  12.068
  152   2HD   PRO  19          2HD       PRO  19   2.938   0.869  12.395
  153    H    LEU  20           H        LEU  20   2.598   3.769   7.419
  154    HA   LEU  20           HA       LEU  20   5.409   4.690   7.506
  155   1HB   LEU  20          1HB       LEU  20   3.903   4.755   4.954
  156   2HB   LEU  20          2HB       LEU  20   5.589   4.398   5.252
  157    HG   LEU  20           HG       LEU  20   3.237   2.526   5.592
  158   1HD1  LEU  20          1HD1      LEU  20   5.345   2.990   3.553
  159   2HD1  LEU  20          2HD1      LEU  20   5.024   1.304   3.957
  160   3HD1  LEU  20          3HD1      LEU  20   3.720   2.331   3.364
  161   1HD2  LEU  20          1HD2      LEU  20   6.047   2.433   6.593
  162   2HD2  LEU  20          2HD2      LEU  20   4.585   1.737   7.289
  163   3HD2  LEU  20          3HD2      LEU  20   5.378   0.943   5.930
  164    HA   PRO  21           HA       PRO  21   3.811   8.827   7.446
  165   1HB   PRO  21          1HB       PRO  21   6.053  10.161   6.626
  166   2HB   PRO  21          2HB       PRO  21   5.858   9.471   8.247
  167   1HG   PRO  21          1HG       PRO  21   7.539   8.536   6.005
  168   2HG   PRO  21          2HG       PRO  21   7.716   8.249   7.742
  169   1HD   PRO  21          1HD       PRO  21   6.655   6.439   5.802
  170   2HD   PRO  21          2HD       PRO  21   6.687   6.223   7.567
  171    H    GLN  22           H        GLN  22   2.664  10.060   6.037
  172    HA   GLN  22           HA       GLN  22   2.696   9.478   3.229
  173   1HB   GLN  22          1HB       GLN  22   0.699  10.244   4.663
  174   2HB   GLN  22          2HB       GLN  22   1.359  11.869   4.479
  175   1HG   GLN  22          1HG       GLN  22   1.463  11.068   1.905
  176   2HG   GLN  22          2HG       GLN  22   0.095  10.098   2.450
  177   2HE2  GLN  22          2HE2      GLN  22   0.117  12.527   0.646
  178   1HE2  GLN  22          1HE2      GLN  22  -0.934  13.633   1.388
  179    H    VAL  23           H        VAL  23   4.655  11.455   5.146
  180    HA   VAL  23           HA       VAL  23   5.030  13.785   3.709
  181    HB   VAL  23           HB       VAL  23   6.048  13.320   5.902
  182   1HG1  VAL  23          1HG1      VAL  23   6.769  10.922   4.914
  183   2HG1  VAL  23          2HG1      VAL  23   8.281  11.794   4.663
  184   3HG1  VAL  23          3HG1      VAL  23   7.593  11.670   6.283
  185   1HG2  VAL  23          1HG2      VAL  23   6.997  15.084   4.416
  186   2HG2  VAL  23          2HG2      VAL  23   8.211  14.368   5.476
  187   3HG2  VAL  23          3HG2      VAL  23   8.135  13.897   3.778
  188    H    LEU  24           H        LEU  24   5.936  10.542   2.826
  189    HA   LEU  24           HA       LEU  24   7.285  11.650   0.442
  190   1HB   LEU  24          1HB       LEU  24   9.004  10.098   0.504
  191   2HB   LEU  24          2HB       LEU  24   8.848  10.628   2.160
  192    HG   LEU  24           HG       LEU  24   9.200   8.328   2.341
  193   1HD1  LEU  24          1HD1      LEU  24   7.125   9.117   3.549
  194   2HD1  LEU  24          2HD1      LEU  24   6.180   8.454   2.216
  195   3HD1  LEU  24          3HD1      LEU  24   7.170   7.387   3.210
  196   1HD2  LEU  24          1HD2      LEU  24   8.615   8.139  -0.252
  197   2HD2  LEU  24          2HD2      LEU  24   8.593   6.723   0.800
  198   3HD2  LEU  24          3HD2      LEU  24   7.085   7.537   0.387
  199    H    LEU  25           H        LEU  25   4.625   9.966   1.436
  200    HA   LEU  25           HA       LEU  25   4.607   7.898  -0.571
  201   1HB   LEU  25          1HB       LEU  25   3.263   8.208   1.728
  202   2HB   LEU  25          2HB       LEU  25   2.082   8.888   0.633
  203    HG   LEU  25           HG       LEU  25   1.900   6.802  -0.566
  204   1HD1  LEU  25          1HD1      LEU  25   4.406   6.191   0.926
  205   2HD1  LEU  25          2HD1      LEU  25   3.288   4.851   0.670
  206   3HD1  LEU  25          3HD1      LEU  25   3.933   5.737  -0.711
  207   1HD2  LEU  25          1HD2      LEU  25   1.726   6.820   2.413
  208   2HD2  LEU  25          2HD2      LEU  25   0.447   6.617   1.216
  209   3HD2  LEU  25          3HD2      LEU  25   1.519   5.270   1.598
  210    H    SER  26           H        SER  26   2.630   7.840  -2.099
  211    HA   SER  26           HA       SER  26   2.193  10.522  -3.264
  212   1HB   SER  26          1HB       SER  26   3.861   8.740  -4.429
  213   2HB   SER  26          2HB       SER  26   2.334   8.249  -5.156
  214    HG   SER  26           HG       SER  26   2.332  10.026  -6.274
  215    H    SER  27           H        SER  27   1.148   7.180  -3.975
  216    HA   SER  27           HA       SER  27  -1.621   7.893  -3.353
  217   1HB   SER  27          1HB       SER  27  -0.681   8.059  -5.996
  218   2HB   SER  27          2HB       SER  27  -1.566   6.541  -5.920
  219    HG   SER  27           HG       SER  27  -2.444   9.161  -5.310
  220    H    TRP  28           H        TRP  28  -2.858   5.706  -4.505
  221    HA   TRP  28           HA       TRP  28  -1.451   3.282  -3.718
  222   1HB   TRP  28          1HB       TRP  28  -3.328   2.610  -2.168
  223   2HB   TRP  28          2HB       TRP  28  -2.294   3.897  -1.555
  224    HD1  TRP  28           HD1      TRP  28  -3.272   6.390  -1.577
  225    HE1  TRP  28           HE1      TRP  28  -5.695   7.273  -1.593
  226    HE3  TRP  28           HE3      TRP  28  -5.742   2.142  -2.980
  227    HZ2  TRP  28           HZ2      TRP  28  -8.333   6.294  -2.150
  228    HZ3  TRP  28           HZ3      TRP  28  -8.202   2.146  -3.245
  229    HH2  TRP  28           HH2      TRP  28  -9.502   4.214  -2.827
  230    H    TYR  29           H        TYR  29  -2.197   1.521  -4.809
  231    HA   TYR  29           HA       TYR  29  -4.588   1.965  -6.484
  232   1HB   TYR  29          1HB       TYR  29  -3.663   0.635  -8.194
  233   2HB   TYR  29          2HB       TYR  29  -2.323   1.622  -7.632
  234    HD1  TYR  29           HD1      TYR  29  -3.825  -1.759  -7.561
  235    HD2  TYR  29           HD2      TYR  29  -0.392   0.620  -6.548
  236    HE1  TYR  29           HE1      TYR  29  -2.515  -3.823  -7.143
  237    HE2  TYR  29           HE2      TYR  29   0.913  -1.443  -6.132
  238    HH   TYR  29           HH       TYR  29   0.884  -3.795  -6.762
  239    HA   PRO  30           HA       PRO  30  -6.381  -1.357  -4.147
  240   1HB   PRO  30          1HB       PRO  30  -8.651  -1.708  -5.624
  241   2HB   PRO  30          2HB       PRO  30  -8.398  -0.352  -4.516
  242   1HG   PRO  30          1HG       PRO  30  -8.376  -0.388  -7.472
  243   2HG   PRO  30          2HG       PRO  30  -8.714   0.948  -6.364
  244   1HD   PRO  30          1HD       PRO  30  -6.284   0.479  -7.774
  245   2HD   PRO  30          2HD       PRO  30  -6.562   1.691  -6.502
  246    H    THR  31           H        THR  31  -7.047  -3.588  -4.294
  247    HA   THR  31           HA       THR  31  -5.654  -5.034  -6.427
  248    HB   THR  31           HB       THR  31  -6.447  -7.017  -4.874
  249    HG1  THR  31           HG1      THR  31  -7.787  -5.609  -3.629
  250   1HG2  THR  31          1HG2      THR  31  -4.111  -6.262  -5.218
  251   2HG2  THR  31          2HG2      THR  31  -4.350  -5.010  -3.999
  252   3HG2  THR  31          3HG2      THR  31  -4.412  -6.713  -3.541
  253    H    SER  32           H        SER  32  -6.936  -7.321  -6.767
  254    HA   SER  32           HA       SER  32  -9.109  -6.660  -8.439
  255   1HB   SER  32          1HB       SER  32  -7.819  -8.635  -8.920
  256   2HB   SER  32          2HB       SER  32  -8.200  -9.331  -7.348
  257    HG   SER  32           HG       SER  32  -9.500 -10.050  -9.208
  258    H    GLN  33           H        GLN  33  -9.894  -9.296  -6.244
  259    HA   GLN  33           HA       GLN  33 -11.432  -7.952  -4.340
  260   1HB   GLN  33          1HB       GLN  33 -12.624  -7.500  -6.731
  261   2HB   GLN  33          2HB       GLN  33 -13.396  -9.019  -6.289
  262   1HG   GLN  33          1HG       GLN  33 -14.208  -8.111  -4.225
  263   2HG   GLN  33          2HG       GLN  33 -13.210  -6.666  -4.395
  264   2HE2  GLN  33          2HE2      GLN  33 -14.811  -5.050  -4.626
  265   1HE2  GLN  33          1HE2      GLN  33 -15.986  -5.059  -5.851
  266    H    LEU  34           H        LEU  34 -11.352 -10.730  -6.517
  267    HA   LEU  34           HA       LEU  34 -12.399 -12.462  -4.390
  268   1HB   LEU  34          1HB       LEU  34 -12.461 -14.203  -6.153
  269   2HB   LEU  34          2HB       LEU  34 -13.459 -12.809  -6.492
  270    HG   LEU  34           HG       LEU  34 -11.296 -12.062  -7.874
  271   1HD1  LEU  34          1HD1      LEU  34 -11.021 -14.999  -7.407
  272   2HD1  LEU  34          2HD1      LEU  34 -10.617 -14.367  -9.002
  273   3HD1  LEU  34          3HD1      LEU  34  -9.769 -13.769  -7.576
  274   1HD2  LEU  34          1HD2      LEU  34 -13.654 -12.505  -8.675
  275   2HD2  LEU  34          2HD2      LEU  34 -12.396 -12.923  -9.838
  276   3HD2  LEU  34          3HD2      LEU  34 -13.187 -14.191  -8.902
  277    H    CYS  35           H        CYS  35  -9.813 -11.391  -3.998
  278    HA   CYS  35           HA       CYS  35  -8.001 -13.645  -4.538
  279   1HB   CYS  35          1HB       CYS  35  -7.634 -10.764  -3.885
  280   2HB   CYS  35          2HB       CYS  35  -6.402 -11.885  -3.306
  281    H    SER  36           H        SER  36 -10.163 -13.886  -2.611
  282    HA   SER  36           HA       SER  36 -10.475 -14.875  -0.561
  283   1HB   SER  36          1HB       SER  36  -8.224 -15.987  -1.169
  284   2HB   SER  36          2HB       SER  36  -7.508 -14.814  -0.068
  285    HG   SER  36           HG       SER  36  -8.536 -17.070   0.601
  286    H    LYS  37           H        LYS  37  -7.606 -12.813  -0.090
  287    HA   LYS  37           HA       LYS  37  -9.193 -11.047   1.633
  288   1HB   LYS  37          1HB       LYS  37  -7.399 -11.131   3.392
  289   2HB   LYS  37          2HB       LYS  37  -8.331 -12.621   3.242
  290   1HG   LYS  37          1HG       LYS  37  -6.493 -13.411   1.627
  291   2HG   LYS  37          2HG       LYS  37  -5.538 -12.060   2.237
  292   1HD   LYS  37          1HD       LYS  37  -6.844 -13.816   4.261
  293   2HD   LYS  37          2HD       LYS  37  -5.465 -14.484   3.387
  294   1HE   LYS  37          1HE       LYS  37  -3.978 -13.014   4.331
  295   2HE   LYS  37          2HE       LYS  37  -5.162 -11.708   4.412
  296   1HZ   LYS  37          1HZ       LYS  37  -6.265 -12.956   6.222
  297   2HZ   LYS  37          2HZ       LYS  37  -4.980 -14.069   6.202
  298   3HZ   LYS  37          3HZ       LYS  37  -4.696 -12.445   6.615
  299    HA   PRO  38           HA       PRO  38  -5.938  -8.879  -0.891
  300   1HB   PRO  38          1HB       PRO  38  -7.597  -7.544  -2.598
  301   2HB   PRO  38          2HB       PRO  38  -6.961  -9.163  -2.916
  302   1HG   PRO  38          1HG       PRO  38  -9.695  -8.336  -2.173
  303   2HG   PRO  38          2HG       PRO  38  -9.148  -9.795  -3.010
  304   1HD   PRO  38          1HD       PRO  38  -9.888  -9.564  -0.257
  305   2HD   PRO  38          2HD       PRO  38  -9.194 -10.989  -1.068
  306    H    GLY  39           H        GLY  39  -5.354  -6.671  -0.789
  307   1HA   GLY  39          1HA       GLY  39  -5.496  -5.050   1.172
  308   2HA   GLY  39          2HA       GLY  39  -7.189  -4.893   0.707
  309    H    VAL  40           H        VAL  40  -4.279  -3.420   0.483
  310    HA   VAL  40           HA       VAL  40  -4.484  -2.514  -2.280
  311    HB   VAL  40           HB       VAL  40  -4.709  -0.489  -0.044
  312   1HG1  VAL  40          1HG1      VAL  40  -3.715  -0.127  -2.515
  313   2HG1  VAL  40          2HG1      VAL  40  -5.430   0.062  -2.874
  314   3HG1  VAL  40          3HG1      VAL  40  -4.657   1.107  -1.681
  315   1HG2  VAL  40          1HG2      VAL  40  -6.822  -1.646  -1.882
  316   2HG2  VAL  40          2HG2      VAL  40  -6.793  -1.726  -0.121
  317   3HG2  VAL  40          3HG2      VAL  40  -7.043  -0.179  -0.929
  318    H    ILE  41           H        ILE  41  -2.582  -1.802  -3.073
  319    HA   ILE  41           HA       ILE  41  -0.295  -1.816  -1.212
  320    HB   ILE  41           HB       ILE  41  -0.530  -2.405  -4.164
  321   1HG1  ILE  41          1HG1      ILE  41   0.810  -4.450  -3.228
  322   2HG1  ILE  41          2HG1      ILE  41   0.191  -3.906  -1.670
  323   1HG2  ILE  41          1HG2      ILE  41   1.902  -1.648  -2.567
  324   2HG2  ILE  41          2HG2      ILE  41   2.050  -2.858  -3.843
  325   3HG2  ILE  41          3HG2      ILE  41   1.489  -1.230  -4.232
  326   1HD1  ILE  41          1HD1      ILE  41  -1.630  -4.298  -4.046
  327   2HD1  ILE  41          2HD1      ILE  41  -1.240  -5.622  -2.947
  328   3HD1  ILE  41          3HD1      ILE  41  -2.068  -4.186  -2.341
  329    H    PHE  42           H        PHE  42   0.613   0.057  -0.732
  330    HA   PHE  42           HA       PHE  42  -0.154   2.487  -2.115
  331   1HB   PHE  42          1HB       PHE  42   1.553   1.871   0.288
  332   2HB   PHE  42          2HB       PHE  42   1.550   3.480  -0.435
  333    HD1  PHE  42           HD1      PHE  42  -0.633   0.866   1.070
  334    HD2  PHE  42           HD2      PHE  42  -0.258   4.982  -0.096
  335    HE1  PHE  42           HE1      PHE  42  -2.756   1.390   2.239
  336    HE2  PHE  42           HE2      PHE  42  -2.382   5.506   1.071
  337    HZ   PHE  42           HZ       PHE  42  -3.630   3.711   2.240
  338    H    LEU  43           H        LEU  43   1.338   3.949  -3.081
  339    HA   LEU  43           HA       LEU  43   3.900   2.743  -3.928
  340   1HB   LEU  43          1HB       LEU  43   2.285   4.472  -5.766
  341   2HB   LEU  43          2HB       LEU  43   3.603   3.388  -6.155
  342    HG   LEU  43           HG       LEU  43   1.994   1.494  -5.456
  343   1HD1  LEU  43          1HD1      LEU  43   0.286   3.899  -5.249
  344   2HD1  LEU  43          2HD1      LEU  43  -0.423   2.575  -6.173
  345   3HD1  LEU  43          3HD1      LEU  43   0.092   2.311  -4.508
  346   1HD2  LEU  43          1HD2      LEU  43   2.685   2.406  -7.827
  347   2HD2  LEU  43          2HD2      LEU  43   1.341   1.273  -7.688
  348   3HD2  LEU  43          3HD2      LEU  43   1.025   2.998  -7.870
  349    H    THR  44           H        THR  44   5.311   3.982  -2.799
  350    HA   THR  44           HA       THR  44   4.910   6.711  -2.150
  351    HB   THR  44           HB       THR  44   7.274   6.720  -1.531
  352    HG1  THR  44           HG1      THR  44   7.305   4.217  -2.863
  353   1HG2  THR  44          1HG2      THR  44   5.476   4.472  -0.796
  354   2HG2  THR  44          2HG2      THR  44   7.164   4.321  -0.306
  355   3HG2  THR  44          3HG2      THR  44   6.212   5.706   0.227
  356    H    LYS  45           H        LYS  45   6.489   8.449  -2.882
  357    HA   LYS  45           HA       LYS  45   6.119   8.971  -5.623
  358   1HB   LYS  45          1HB       LYS  45   8.171  10.168  -3.743
  359   2HB   LYS  45          2HB       LYS  45   7.681  10.842  -5.299
  360   1HG   LYS  45          1HG       LYS  45   5.646  11.556  -4.507
  361   2HG   LYS  45          2HG       LYS  45   5.505  10.219  -3.365
  362   1HD   LYS  45          1HD       LYS  45   5.848  12.217  -2.067
  363   2HD   LYS  45          2HD       LYS  45   7.357  11.304  -2.019
  364   1HE   LYS  45          1HE       LYS  45   8.456  12.781  -3.445
  365   2HE   LYS  45          2HE       LYS  45   6.955  13.345  -4.181
  366   1HZ   LYS  45          1HZ       LYS  45   6.433  14.288  -1.903
  367   2HZ   LYS  45          2HZ       LYS  45   8.070  14.030  -1.529
  368   3HZ   LYS  45          3HZ       LYS  45   7.640  15.076  -2.796
  369    H    ARG  46           H        ARG  46   9.146   8.210  -3.899
  370    HA   ARG  46           HA       ARG  46  10.147   6.946  -6.380
  371   1HB   ARG  46          1HB       ARG  46  11.145   9.223  -5.960
  372   2HB   ARG  46          2HB       ARG  46  11.838   8.562  -4.478
  373   1HG   ARG  46          1HG       ARG  46  13.255   7.101  -5.634
  374   2HG   ARG  46          2HG       ARG  46  12.265   7.142  -7.093
  375   1HD   ARG  46          1HD       ARG  46  13.088   9.223  -7.754
  376   2HD   ARG  46          2HD       ARG  46  13.564   9.666  -6.118
  377    HE   ARG  46           HE       ARG  46  15.165   8.256  -8.038
  378   1HH1  ARG  46          1HH1      ARG  46  14.513   8.588  -4.615
  379   2HH1  ARG  46          2HH1      ARG  46  16.091   8.058  -4.148
  380   1HH2  ARG  46          1HH2      ARG  46  17.211   7.570  -7.385
  381   2HH2  ARG  46          2HH2      ARG  46  17.607   7.486  -5.701
  382    H    GLY  47           H        GLY  47   9.294   6.366  -3.239
  383   1HA   GLY  47          1HA       GLY  47   9.935   4.856  -1.620
  384   2HA   GLY  47          2HA       GLY  47  11.533   4.807  -2.358
  385    H    ARG  48           H        ARG  48   8.660   3.140  -1.845
  386    HA   ARG  48           HA       ARG  48   8.901   1.378  -4.159
  387   1HB   ARG  48          1HB       ARG  48   9.919   0.688  -1.459
  388   2HB   ARG  48          2HB       ARG  48   8.948  -0.549  -2.255
  389   1HG   ARG  48          1HG       ARG  48  10.403  -0.274  -4.293
  390   2HG   ARG  48          2HG       ARG  48  11.439   0.790  -3.343
  391   1HD   ARG  48          1HD       ARG  48  12.315  -1.508  -3.332
  392   2HD   ARG  48          2HD       ARG  48  11.818  -1.020  -1.716
  393    HE   ARG  48           HE       ARG  48   9.636  -2.299  -2.935
  394   1HH1  ARG  48          1HH1      ARG  48  12.867  -3.063  -1.827
  395   2HH1  ARG  48          2HH1      ARG  48  12.480  -4.711  -1.479
  396   1HH2  ARG  48          1HH2      ARG  48   9.174  -4.457  -2.467
  397   2HH2  ARG  48          2HH2      ARG  48  10.407  -5.496  -1.837
  398    H    GLN  49           H        GLN  49   7.411  -0.708  -3.481
  399    HA   GLN  49           HA       GLN  49   4.797   0.491  -2.966
  400   1HB   GLN  49          1HB       GLN  49   5.767  -2.032  -4.224
  401   2HB   GLN  49          2HB       GLN  49   4.170  -2.051  -3.476
  402   1HG   GLN  49          1HG       GLN  49   3.287  -0.559  -4.993
  403   2HG   GLN  49          2HG       GLN  49   4.826   0.269  -5.232
  404   2HE2  GLN  49          2HE2      GLN  49   5.847  -0.193  -7.179
  405   1HE2  GLN  49          1HE2      GLN  49   5.578  -1.585  -8.113
  406    H    VAL  50           H        VAL  50   3.267  -0.589  -1.520
  407    HA   VAL  50           HA       VAL  50   4.356  -2.345   0.532
  408    HB   VAL  50           HB       VAL  50   3.331   0.417   1.242
  409   1HG1  VAL  50          1HG1      VAL  50   2.734  -1.433   2.844
  410   2HG1  VAL  50          2HG1      VAL  50   4.458  -1.753   3.035
  411   3HG1  VAL  50          3HG1      VAL  50   3.788  -0.203   3.541
  412   1HG2  VAL  50          1HG2      VAL  50   6.080  -0.845   1.329
  413   2HG2  VAL  50          2HG2      VAL  50   5.589   0.589   0.428
  414   3HG2  VAL  50          3HG2      VAL  50   5.670   0.637   2.189
  415    H    CYS  51           H        CYS  51   2.837  -3.738   1.127
  416    HA   CYS  51           HA       CYS  51   0.095  -3.378   0.240
  417   1HB   CYS  51          1HB       CYS  51   1.271  -5.618   1.906
  418   2HB   CYS  51          2HB       CYS  51  -0.264  -5.639   1.039
  419    H    ALA  52           H        ALA  52  -1.569  -2.679   1.465
  420    HA   ALA  52           HA       ALA  52  -1.419  -2.864   4.374
  421   1HB   ALA  52          1HB       ALA  52  -0.372  -0.621   3.428
  422   2HB   ALA  52          2HB       ALA  52  -2.067  -0.153   3.306
  423   3HB   ALA  52          3HB       ALA  52  -1.389  -0.615   4.867
  424    H    ASP  53           H        ASP  53  -3.373  -3.073   5.297
  425    HA   ASP  53           HA       ASP  53  -5.697  -3.182   3.530
  426   1HB   ASP  53          1HB       ASP  53  -5.025  -4.218   6.242
  427   2HB   ASP  53          2HB       ASP  53  -6.722  -3.876   5.906
  428    H    LYS  54           H        LYS  54  -7.478  -1.887   3.684
  429    HA   LYS  54           HA       LYS  54  -7.161   0.741   4.673
  430   1HB   LYS  54          1HB       LYS  54  -8.727   0.067   2.831
  431   2HB   LYS  54          2HB       LYS  54  -9.775  -0.654   4.053
  432   1HG   LYS  54          1HG       LYS  54 -10.039   1.507   5.159
  433   2HG   LYS  54          2HG       LYS  54  -8.908   2.252   4.028
  434   1HD   LYS  54          1HD       LYS  54 -10.472   1.531   2.161
  435   2HD   LYS  54          2HD       LYS  54 -11.639   1.101   3.412
  436   1HE   LYS  54          1HE       LYS  54 -11.012   3.585   4.248
  437   2HE   LYS  54          2HE       LYS  54 -10.724   3.788   2.520
  438   1HZ   LYS  54          1HZ       LYS  54 -13.185   2.473   3.450
  439   2HZ   LYS  54          2HZ       LYS  54 -13.080   4.165   3.470
  440   3HZ   LYS  54          3HZ       LYS  54 -12.900   3.322   2.006
  441    H    SER  55           H        SER  55  -8.416  -2.185   6.113
  442    HA   SER  55           HA       SER  55  -9.982  -1.171   8.183
  443   1HB   SER  55          1HB       SER  55  -9.183  -3.663   7.451
  444   2HB   SER  55          2HB       SER  55  -8.242  -3.433   8.920
  445    HG   SER  55           HG       SER  55 -10.024  -3.788   9.956
  446    H    LYS  56           H        LYS  56  -6.516  -1.168   7.799
  447    HA   LYS  56           HA       LYS  56  -5.723  -0.813  10.475
  448   1HB   LYS  56          1HB       LYS  56  -4.496   0.166   7.891
  449   2HB   LYS  56          2HB       LYS  56  -3.720   0.352   9.464
  450   1HG   LYS  56          1HG       LYS  56  -4.717  -2.362   8.702
  451   2HG   LYS  56          2HG       LYS  56  -3.235  -1.778   7.945
  452   1HD   LYS  56          1HD       LYS  56  -2.124  -1.554  10.024
  453   2HD   LYS  56          2HD       LYS  56  -3.633  -1.641  10.934
  454   1HE   LYS  56          1HE       LYS  56  -3.821  -4.017   9.791
  455   2HE   LYS  56          2HE       LYS  56  -2.071  -3.849   9.642
  456   1HZ   LYS  56          1HZ       LYS  56  -3.496  -3.397  12.198
  457   2HZ   LYS  56          2HZ       LYS  56  -2.920  -4.928  11.737
  458   3HZ   LYS  56          3HZ       LYS  56  -1.835  -3.639  11.953
  459    H    ASP  57           H        ASP  57  -4.486   1.425  10.964
  460    HA   ASP  57           HA       ASP  57  -6.618   3.459  10.909
  461   1HB   ASP  57          1HB       ASP  57  -4.302   2.935  12.753
  462   2HB   ASP  57          2HB       ASP  57  -5.071   4.522  12.703
  463    H    TRP  58           H        TRP  58  -3.084   3.171  10.558
  464    HA   TRP  58           HA       TRP  58  -2.748   5.831   9.597
  465   1HB   TRP  58          1HB       TRP  58  -0.483   5.111   8.944
  466   2HB   TRP  58          2HB       TRP  58  -0.872   4.639  10.593
  467    HD1  TRP  58           HD1      TRP  58  -1.320   2.044  11.065
  468    HE1  TRP  58           HE1      TRP  58  -0.583  -0.066   9.782
  469    HE3  TRP  58           HE3      TRP  58  -0.049   4.132   6.592
  470    HZ2  TRP  58           HZ2      TRP  58   0.416  -0.778   7.181
  471    HZ3  TRP  58           HZ3      TRP  58   0.790   2.727   4.733
  472    HH2  TRP  58           HH2      TRP  58   1.023   0.279   5.023
  473    H    VAL  59           H        VAL  59  -3.574   2.811   8.077
  474    HA   VAL  59           HA       VAL  59  -2.959   3.650   5.395
  475    HB   VAL  59           HB       VAL  59  -4.810   1.441   6.327
  476   1HG1  VAL  59          1HG1      VAL  59  -3.742   2.343   3.695
  477   2HG1  VAL  59          2HG1      VAL  59  -3.783   0.603   3.983
  478   3HG1  VAL  59          3HG1      VAL  59  -5.269   1.547   4.075
  479   1HG2  VAL  59          1HG2      VAL  59  -2.494   1.263   7.231
  480   2HG2  VAL  59          2HG2      VAL  59  -2.861  -0.019   6.077
  481   3HG2  VAL  59          3HG2      VAL  59  -1.869   1.353   5.585
  482    H    LYS  60           H        LYS  60  -5.732   3.788   7.532
  483    HA   LYS  60           HA       LYS  60  -7.692   4.438   5.586
  484   1HB   LYS  60          1HB       LYS  60  -8.031   3.711   8.041
  485   2HB   LYS  60          2HB       LYS  60  -7.766   5.411   8.435
  486   1HG   LYS  60          1HG       LYS  60  -9.575   5.999   6.784
  487   2HG   LYS  60          2HG       LYS  60  -9.911   4.275   6.620
  488   1HD   LYS  60          1HD       LYS  60 -10.072   4.328   9.236
  489   2HD   LYS  60          2HD       LYS  60 -10.316   6.059   9.005
  490   1HE   LYS  60          1HE       LYS  60 -12.510   5.339   8.874
  491   2HE   LYS  60          2HE       LYS  60 -12.053   5.212   7.175
  492   1HZ   LYS  60          1HZ       LYS  60 -11.321   2.855   7.823
  493   2HZ   LYS  60          2HZ       LYS  60 -12.313   3.073   9.185
  494   3HZ   LYS  60          3HZ       LYS  60 -12.981   3.161   7.629
  495    H    LYS  61           H        LYS  61  -5.607   6.422   7.664
  496    HA   LYS  61           HA       LYS  61  -6.646   8.937   6.910
  497   1HB   LYS  61          1HB       LYS  61  -4.912   8.251   8.785
  498   2HB   LYS  61          2HB       LYS  61  -3.735   8.634   7.529
  499   1HG   LYS  61          1HG       LYS  61  -4.320  10.875   7.467
  500   2HG   LYS  61          2HG       LYS  61  -5.966  10.568   8.022
  501   1HD   LYS  61          1HD       LYS  61  -5.014  11.503   9.932
  502   2HD   LYS  61          2HD       LYS  61  -4.763   9.782  10.230
  503   1HE   LYS  61          1HE       LYS  61  -2.482   9.904   9.478
  504   2HE   LYS  61          2HE       LYS  61  -2.709  11.543   8.869
  505   1HZ   LYS  61          1HZ       LYS  61  -3.155  12.259  11.157
  506   2HZ   LYS  61          2HZ       LYS  61  -2.832  10.688  11.710
  507   3HZ   LYS  61          3HZ       LYS  61  -1.597  11.603  10.986
  508    H    LEU  62           H        LEU  62  -3.985   6.997   5.585
  509    HA   LEU  62           HA       LEU  62  -3.106   8.857   3.654
  510   1HB   LEU  62          1HB       LEU  62  -3.057   5.845   3.567
  511   2HB   LEU  62          2HB       LEU  62  -2.184   6.895   2.473
  512    HG   LEU  62           HG       LEU  62  -1.707   7.171   5.413
  513   1HD1  LEU  62          1HD1      LEU  62  -0.922   4.877   3.645
  514   2HD1  LEU  62          2HD1      LEU  62   0.204   5.434   4.883
  515   3HD1  LEU  62          3HD1      LEU  62  -1.400   4.867   5.342
  516   1HD2  LEU  62          1HD2      LEU  62  -0.220   7.614   2.829
  517   2HD2  LEU  62          2HD2      LEU  62  -0.521   8.755   4.140
  518   3HD2  LEU  62          3HD2      LEU  62   0.663   7.465   4.349
  519    H    MET  63           H        MET  63  -5.491   6.257   3.521
  520    HA   MET  63           HA       MET  63  -6.165   6.328   0.822
  521   1HB   MET  63          1HB       MET  63  -7.742   5.682   3.295
  522   2HB   MET  63          2HB       MET  63  -8.525   5.691   1.715
  523   1HG   MET  63          1HG       MET  63  -6.322   4.253   1.105
  524   2HG   MET  63          2HG       MET  63  -6.477   3.828   2.808
  525   1HE   MET  63          1HE       MET  63  -6.933   3.105  -0.402
  526   2HE   MET  63          2HE       MET  63  -7.101   1.465   0.219
  527   3HE   MET  63          3HE       MET  63  -8.412   2.201  -0.714
  528    H    GLN  64           H        GLN  64  -7.164   8.443   3.445
  529    HA   GLN  64           HA       GLN  64  -9.023   9.906   1.738
  530   1HB   GLN  64          1HB       GLN  64  -9.465   9.511   4.186
  531   2HB   GLN  64          2HB       GLN  64  -8.119  10.596   4.541
  532   1HG   GLN  64          1HG       GLN  64  -9.377  12.241   2.929
  533   2HG   GLN  64          2HG       GLN  64 -10.775  11.227   3.287
  534   2HE2  GLN  64          2HE2      GLN  64 -11.972  12.237   4.902
  535   1HE2  GLN  64          1HE2      GLN  64 -11.315  12.969   6.284
  536    H    GLN  65           H        GLN  65  -5.779  10.200   3.024
  537    HA   GLN  65           HA       GLN  65  -5.427  12.965   2.376
  538   1HB   GLN  65          1HB       GLN  65  -3.642  10.722   3.213
  539   2HB   GLN  65          2HB       GLN  65  -2.912  12.163   2.506
  540   1HG   GLN  65          1HG       GLN  65  -4.986  12.720   4.536
  541   2HG   GLN  65          2HG       GLN  65  -3.557  11.897   5.159
  542   2HE2  GLN  65          2HE2      GLN  65  -2.396  13.592   6.139
  543   1HE2  GLN  65          1HE2      GLN  65  -1.938  15.015   5.338
  544    H    LEU  66           H        LEU  66  -4.923   9.924   0.690
  545    HA   LEU  66           HA       LEU  66  -3.903  11.419  -1.651
  546   1HB   LEU  66          1HB       LEU  66  -3.769   8.442  -1.341
  547   2HB   LEU  66          2HB       LEU  66  -2.809   9.482  -2.372
  548    HG   LEU  66           HG       LEU  66  -2.591   9.225   0.636
  549   1HD1  LEU  66          1HD1      LEU  66  -1.618   7.520  -1.207
  550   2HD1  LEU  66          2HD1      LEU  66  -0.335   8.730  -1.245
  551   3HD1  LEU  66          3HD1      LEU  66  -0.738   7.917   0.268
  552   1HD2  LEU  66          1HD2      LEU  66  -1.437  11.155  -1.352
  553   2HD2  LEU  66          2HD2      LEU  66  -2.010  11.456   0.288
  554   3HD2  LEU  66          3HD2      LEU  66  -0.456  10.663   0.028
  555    HA   PRO  67           HA       PRO  67  -7.673  10.344  -3.675
  556   1HB   PRO  67          1HB       PRO  67  -6.890  10.539  -6.294
  557   2HB   PRO  67          2HB       PRO  67  -7.185  11.932  -5.243
  558   1HG   PRO  67          1HG       PRO  67  -4.614  10.812  -6.197
  559   2HG   PRO  67          2HG       PRO  67  -5.013  12.464  -5.705
  560   1HD   PRO  67          1HD       PRO  67  -3.630  10.542  -4.149
  561   2HD   PRO  67          2HD       PRO  67  -4.287  12.091  -3.572
  562    H    VAL  68           H        VAL  68  -5.386   9.000  -6.030
  563    HA   VAL  68           HA       VAL  68  -5.403   6.321  -5.307
  564    HB   VAL  68           HB       VAL  68  -7.912   7.190  -6.618
  565   1HG1  VAL  68          1HG1      VAL  68  -6.838   6.118  -8.583
  566   2HG1  VAL  68          2HG1      VAL  68  -6.561   4.665  -7.622
  567   3HG1  VAL  68          3HG1      VAL  68  -8.208   5.179  -7.990
  568   1HG2  VAL  68          1HG2      VAL  68  -6.936   5.230  -4.670
  569   2HG2  VAL  68          2HG2      VAL  68  -8.509   6.015  -4.783
  570   3HG2  VAL  68          3HG2      VAL  68  -8.177   4.570  -5.734
  571    H    THR  69           H        THR  69  -4.644   4.919  -7.115
  572    HA   THR  69           HA       THR  69  -2.600   6.229  -8.585
  573    HB   THR  69           HB       THR  69  -2.693   3.872  -9.834
  574    HG1  THR  69           HG1      THR  69  -4.406   2.900  -9.046
  575   1HG2  THR  69          1HG2      THR  69  -1.036   4.887  -8.103
  576   2HG2  THR  69          2HG2      THR  69  -1.899   3.891  -6.931
  577   3HG2  THR  69          3HG2      THR  69  -1.079   3.135  -8.298
  578    H    ALA  70           H        ALA  70  -2.616   7.144 -10.533
  579    HA   ALA  70           HA       ALA  70  -4.296   6.312 -12.681
  580   1HB   ALA  70          1HB       ALA  70  -5.383   8.734 -12.739
  581   2HB   ALA  70          2HB       ALA  70  -5.184   8.607 -10.992
  582   3HB   ALA  70          3HB       ALA  70  -6.147   7.411 -11.859
  583    H    ARG  71           H        ARG  71  -2.710   9.207 -11.338
  584    HA   ARG  71           HA       ARG  71  -1.225   9.459 -13.887
  585   1HB   ARG  71          1HB       ARG  71  -3.030  11.261 -13.280
  586   2HB   ARG  71          2HB       ARG  71  -1.800  11.840 -12.156
  587   1HG   ARG  71          1HG       ARG  71  -0.172  11.932 -14.048
  588   2HG   ARG  71          2HG       ARG  71  -1.475  11.480 -15.148
  589   1HD   ARG  71          1HD       ARG  71  -2.679  13.535 -13.908
  590   2HD   ARG  71          2HD       ARG  71  -1.006  14.049 -13.716
  591    HE   ARG  71           HE       ARG  71  -1.323  13.309 -16.391
  592   1HH1  ARG  71          1HH1      ARG  71  -2.611  15.700 -14.182
  593   2HH1  ARG  71          2HH1      ARG  71  -2.901  16.862 -15.429
  594   1HH2  ARG  71          1HH2      ARG  71  -1.718  14.853 -17.986
  595   2HH2  ARG  71          2HH2      ARG  71  -2.400  16.389 -17.565

  No H/Q in entry =         595
  Start of MODEL    9
    1    H1   LEU   1           H1       LEU   1  -5.056 -17.682  -5.947
    2    H2   LEU   1           H2       LEU   1  -5.174 -19.338  -5.599
    3    H3   LEU   1           H3       LEU   1  -3.823 -18.455  -5.069
    4    HA   LEU   1           HA       LEU   1  -3.092 -18.109  -7.322
    5   1HB   LEU   1          1HB       LEU   1  -3.710 -20.914  -6.414
    6   2HB   LEU   1          2HB       LEU   1  -2.885 -20.630  -7.946
    7    HG   LEU   1           HG       LEU   1  -1.935 -19.373  -5.368
    8   1HD1  LEU   1          1HD1      LEU   1  -1.468 -22.128  -6.471
    9   2HD1  LEU   1          2HD1      LEU   1  -0.164 -21.308  -5.612
   10   3HD1  LEU   1          3HD1      LEU   1  -1.696 -21.624  -4.797
   11   1HD2  LEU   1          1HD2      LEU   1  -0.836 -19.814  -8.143
   12   2HD2  LEU   1          2HD2      LEU   1  -0.936 -18.312  -7.224
   13   3HD2  LEU   1          3HD2      LEU   1   0.249 -19.540  -6.780
   14    H    GLY   2           H        GLY   2  -3.355 -19.349  -9.552
   15   1HA   GLY   2          1HA       GLY   2  -4.959 -18.534 -11.306
   16   2HA   GLY   2          2HA       GLY   2  -6.220 -19.247 -10.304
   17    H    ALA   3           H        ALA   3  -6.767 -20.489 -12.223
   18    HA   ALA   3           HA       ALA   3  -5.120 -22.930 -12.422
   19   1HB   ALA   3          1HB       ALA   3  -7.150 -24.012 -13.290
   20   2HB   ALA   3          2HB       ALA   3  -8.014 -22.478 -13.191
   21   3HB   ALA   3          3HB       ALA   3  -7.456 -23.272 -11.718
   22    H    SER   4           H        SER   4  -3.859 -23.080 -14.142
   23    HA   SER   4           HA       SER   4  -3.058 -22.900 -16.291
   24   1HB   SER   4          1HB       SER   4  -5.245 -24.033 -16.803
   25   2HB   SER   4          2HB       SER   4  -5.943 -22.440 -17.077
   26    HG   SER   4           HG       SER   4  -3.651 -23.477 -18.397
   27    H    TRP   5           H        TRP   5  -2.930 -21.385 -18.199
   28    HA   TRP   5           HA       TRP   5  -2.540 -19.278 -19.027
   29   1HB   TRP   5          1HB       TRP   5  -5.152 -19.131 -17.752
   30   2HB   TRP   5          2HB       TRP   5  -4.314 -17.585 -17.646
   31    HD1  TRP   5           HD1      TRP   5  -6.753 -18.881 -19.724
   32    HE1  TRP   5           HE1      TRP   5  -6.518 -18.185 -22.195
   33    HE3  TRP   5           HE3      TRP   5  -1.882 -17.348 -19.750
   34    HZ2  TRP   5           HZ2      TRP   5  -4.527 -17.117 -23.952
   35    HZ3  TRP   5           HZ3      TRP   5  -0.843 -16.497 -21.833
   36    HH2  TRP   5           HH2      TRP   5  -2.158 -16.380 -23.932
   37    H    HIS   6           H        HIS   6  -0.707 -18.340 -18.472
   38    HA   HIS   6           HA       HIS   6   0.176 -18.016 -15.792
   39   1HB   HIS   6          1HB       HIS   6   1.615 -18.180 -17.908
   40   2HB   HIS   6          2HB       HIS   6   1.253 -16.470 -18.145
   41    HD1  HIS   6           HD1      HIS   6   2.260 -18.532 -15.084
   42    HD2  HIS   6           HD2      HIS   6   3.307 -15.006 -17.046
   43    HE1  HIS   6           HE1      HIS   6   4.121 -17.481 -13.724
   44    H    ARG   7           H        ARG   7  -1.545 -16.878 -14.774
   45    HA   ARG   7           HA       ARG   7  -1.625 -13.992 -15.437
   46   1HB   ARG   7          1HB       ARG   7  -3.790 -15.324 -15.704
   47   2HB   ARG   7          2HB       ARG   7  -3.780 -15.491 -13.948
   48   1HG   ARG   7          1HG       ARG   7  -5.052 -13.550 -14.238
   49   2HG   ARG   7          2HG       ARG   7  -3.438 -12.892 -13.969
   50   1HD   ARG   7          1HD       ARG   7  -4.027 -11.733 -15.882
   51   2HD   ARG   7          2HD       ARG   7  -3.254 -13.141 -16.598
   52    HE   ARG   7           HE       ARG   7  -5.998 -13.702 -16.260
   53   1HH1  ARG   7          1HH1      ARG   7  -3.898 -11.634 -18.149
   54   2HH1  ARG   7          2HH1      ARG   7  -4.990 -11.556 -19.488
   55   1HH2  ARG   7          1HH2      ARG   7  -7.393 -13.575 -18.028
   56   2HH2  ARG   7          2HH2      ARG   7  -6.953 -12.645 -19.422
   57    HA   PRO   8           HA       PRO   8   0.157 -14.268 -11.217
   58   1HB   PRO   8          1HB       PRO   8   2.067 -12.350 -11.587
   59   2HB   PRO   8          2HB       PRO   8   2.290 -14.053 -12.014
   60   1HG   PRO   8          1HG       PRO   8   1.862 -11.717 -13.776
   61   2HG   PRO   8          2HG       PRO   8   2.655 -13.260 -14.123
   62   1HD   PRO   8          1HD       PRO   8   0.019 -12.498 -14.878
   63   2HD   PRO   8          2HD       PRO   8   0.742 -14.117 -15.023
   64    H    ASP   9           H        ASP   9  -1.689 -13.345 -10.250
   65    HA   ASP   9           HA       ASP   9  -1.958 -10.414 -10.367
   66   1HB   ASP   9          1HB       ASP   9  -3.813 -12.652  -9.635
   67   2HB   ASP   9          2HB       ASP   9  -4.100 -11.039  -8.983
   68    H    LYS  10           H        LYS  10  -1.194  -9.216  -8.767
   69    HA   LYS  10           HA       LYS  10  -0.009 -10.383  -6.435
   70   1HB   LYS  10          1HB       LYS  10  -0.655  -7.470  -6.952
   71   2HB   LYS  10          2HB       LYS  10   0.496  -8.104  -5.774
   72   1HG   LYS  10          1HG       LYS  10   1.863  -9.048  -7.571
   73   2HG   LYS  10          2HG       LYS  10   0.692  -8.504  -8.774
   74   1HD   LYS  10          1HD       LYS  10   1.143  -6.194  -8.289
   75   2HD   LYS  10          2HD       LYS  10   2.105  -6.619  -6.873
   76   1HE   LYS  10          1HE       LYS  10   3.552  -7.972  -8.588
   77   2HE   LYS  10          2HE       LYS  10   2.794  -6.920  -9.784
   78   1HZ   LYS  10          1HZ       LYS  10   4.165  -5.918  -7.353
   79   2HZ   LYS  10          2HZ       LYS  10   4.929  -6.077  -8.861
   80   3HZ   LYS  10          3HZ       LYS  10   3.621  -5.008  -8.677
   81    H    CYS  11           H        CYS  11  -1.453 -11.406  -5.132
   82    HA   CYS  11           HA       CYS  11  -3.918 -10.047  -4.321
   83   1HB   CYS  11          1HB       CYS  11  -2.820 -12.785  -3.627
   84   2HB   CYS  11          2HB       CYS  11  -4.401 -12.177  -3.151
   85    H    CYS  12           H        CYS  12  -0.977  -9.404  -3.417
   86    HA   CYS  12           HA       CYS  12  -0.008  -8.537  -1.542
   87   1HB   CYS  12          1HB       CYS  12  -2.896  -8.490  -0.837
   88   2HB   CYS  12          2HB       CYS  12  -1.749  -8.324   0.489
   89    H    LEU  13           H        LEU  13  -2.420 -10.653  -0.018
   90    HA   LEU  13           HA       LEU  13  -2.195 -12.500   1.340
   91   1HB   LEU  13          1HB       LEU  13  -0.534 -13.033  -0.690
   92   2HB   LEU  13          2HB       LEU  13   0.645 -12.923   0.598
   93    HG   LEU  13           HG       LEU  13  -0.725 -14.649   1.851
   94   1HD1  LEU  13          1HD1      LEU  13  -2.755 -14.135   0.296
   95   2HD1  LEU  13          2HD1      LEU  13  -1.969 -15.244  -0.829
   96   3HD1  LEU  13          3HD1      LEU  13  -2.462 -15.808   0.768
   97   1HD2  LEU  13          1HD2      LEU  13   1.328 -15.010   0.254
   98   2HD2  LEU  13          2HD2      LEU  13   0.397 -16.410   0.785
   99   3HD2  LEU  13          3HD2      LEU  13   0.134 -15.735  -0.822
  100    H    GLY  14           H        GLY  14  -1.007  -9.686   1.956
  101   1HA   GLY  14          1HA       GLY  14   1.160  -9.918   3.711
  102   2HA   GLY  14          2HA       GLY  14  -0.313 -10.172   4.644
  103    H    TYR  15           H        TYR  15   0.883  -8.082   5.534
  104    HA   TYR  15           HA       TYR  15   0.255  -5.675   4.022
  105   1HB   TYR  15          1HB       TYR  15  -1.130  -6.265   6.649
  106   2HB   TYR  15          2HB       TYR  15  -1.195  -4.733   5.777
  107    HD1  TYR  15           HD1      TYR  15  -2.278  -4.607   3.539
  108    HD2  TYR  15           HD2      TYR  15  -2.415  -8.171   5.930
  109    HE1  TYR  15           HE1      TYR  15  -4.135  -5.470   2.142
  110    HE2  TYR  15           HE2      TYR  15  -4.271  -9.037   4.531
  111    HH   TYR  15           HH       TYR  15  -5.094  -7.717   1.548
  112    H    GLN  16           H        GLN  16   0.843  -3.692   5.303
  113    HA   GLN  16           HA       GLN  16   3.435  -4.127   6.520
  114   1HB   GLN  16          1HB       GLN  16   2.576  -2.127   4.980
  115   2HB   GLN  16          2HB       GLN  16   2.154  -1.436   6.543
  116   1HG   GLN  16          1HG       GLN  16   4.395  -0.723   6.058
  117   2HG   GLN  16          2HG       GLN  16   4.517  -1.970   7.297
  118   2HE2  GLN  16          2HE2      GLN  16   6.745  -1.445   5.645
  119   1HE2  GLN  16          1HE2      GLN  16   6.986  -2.759   4.598
  120    H    LYS  17           H        LYS  17   3.764  -4.443   8.599
  121    HA   LYS  17           HA       LYS  17   1.640  -4.062  10.521
  122   1HB   LYS  17          1HB       LYS  17   4.490  -5.030  10.758
  123   2HB   LYS  17          2HB       LYS  17   3.430  -4.835  12.155
  124   1HG   LYS  17          1HG       LYS  17   1.756  -6.247  10.649
  125   2HG   LYS  17          2HG       LYS  17   3.256  -6.797   9.902
  126   1HD   LYS  17          1HD       LYS  17   4.007  -7.829  11.839
  127   2HD   LYS  17          2HD       LYS  17   3.076  -6.762  12.891
  128   1HE   LYS  17          1HE       LYS  17   2.043  -8.960  12.925
  129   2HE   LYS  17          2HE       LYS  17   0.981  -7.856  12.052
  130   1HZ   LYS  17          1HZ       LYS  17   2.174  -8.664   9.986
  131   2HZ   LYS  17          2HZ       LYS  17   2.785  -9.923  10.948
  132   3HZ   LYS  17          3HZ       LYS  17   1.109  -9.757  10.725
  133    H    ARG  18           H        ARG  18   4.135  -2.094   9.256
  134    HA   ARG  18           HA       ARG  18   4.007  -0.336  11.629
  135   1HB   ARG  18          1HB       ARG  18   6.136   0.653  10.753
  136   2HB   ARG  18          2HB       ARG  18   6.287  -1.039  11.226
  137   1HG   ARG  18          1HG       ARG  18   6.086  -1.758   8.911
  138   2HG   ARG  18          2HG       ARG  18   5.774  -0.102   8.389
  139   1HD   ARG  18          1HD       ARG  18   8.264  -0.595   9.949
  140   2HD   ARG  18          2HD       ARG  18   8.225  -1.185   8.291
  141    HE   ARG  18           HE       ARG  18   7.312   1.506   8.387
  142   1HH1  ARG  18          1HH1      ARG  18  10.227  -0.414   8.658
  143   2HH1  ARG  18          2HH1      ARG  18  11.254   0.862   8.104
  144   1HH2  ARG  18          1HH2      ARG  18   8.688   3.142   7.668
  145   2HH2  ARG  18          2HH2      ARG  18  10.392   2.859   7.548
  146    HA   PRO  19           HA       PRO  19   2.036   2.568   8.926
  147   1HB   PRO  19          1HB       PRO  19   2.324   4.829  10.432
  148   2HB   PRO  19          2HB       PRO  19   1.179   3.536  10.809
  149   1HG   PRO  19          1HG       PRO  19   3.701   4.246  12.157
  150   2HG   PRO  19          2HG       PRO  19   2.298   3.366  12.778
  151   1HD   PRO  19          1HD       PRO  19   4.777   2.250  11.897
  152   2HD   PRO  19          2HD       PRO  19   3.309   1.367  12.379
  153    H    LEU  20           H        LEU  20   2.614   3.728   7.173
  154    HA   LEU  20           HA       LEU  20   5.378   4.729   7.025
  155   1HB   LEU  20          1HB       LEU  20   3.587   4.694   4.650
  156   2HB   LEU  20          2HB       LEU  20   5.314   4.437   4.746
  157    HG   LEU  20           HG       LEU  20   3.145   2.456   5.478
  158   1HD1  LEU  20          1HD1      LEU  20   5.224   2.530   3.271
  159   2HD1  LEU  20          2HD1      LEU  20   4.142   1.175   3.592
  160   3HD1  LEU  20          3HD1      LEU  20   3.483   2.725   3.069
  161   1HD2  LEU  20          1HD2      LEU  20   5.662   2.648   6.635
  162   2HD2  LEU  20          2HD2      LEU  20   4.691   1.182   6.543
  163   3HD2  LEU  20          3HD2      LEU  20   5.921   1.501   5.322
  164    HA   PRO  21           HA       PRO  21   3.747   8.869   7.085
  165   1HB   PRO  21          1HB       PRO  21   6.002  10.211   6.326
  166   2HB   PRO  21          2HB       PRO  21   5.777   9.500   7.933
  167   1HG   PRO  21          1HG       PRO  21   7.499   8.597   5.711
  168   2HG   PRO  21          2HG       PRO  21   7.643   8.285   7.446
  169   1HD   PRO  21          1HD       PRO  21   6.618   6.505   5.460
  170   2HD   PRO  21          2HD       PRO  21   6.621   6.262   7.222
  171    H    GLN  22           H        GLN  22   2.698  10.216   5.693
  172    HA   GLN  22           HA       GLN  22   2.688   9.643   2.884
  173   1HB   GLN  22          1HB       GLN  22   0.737  10.523   4.291
  174   2HB   GLN  22          2HB       GLN  22   1.510  12.104   4.170
  175   1HG   GLN  22          1HG       GLN  22   1.230  10.604   1.623
  176   2HG   GLN  22          2HG       GLN  22  -0.271  11.182   2.344
  177   2HE2  GLN  22          2HE2      GLN  22   0.238  13.624   3.350
  178   1HE2  GLN  22          1HE2      GLN  22   0.901  14.672   2.191
  179    H    VAL  23           H        VAL  23   4.752  11.516   4.814
  180    HA   VAL  23           HA       VAL  23   5.286  13.805   3.369
  181    HB   VAL  23           HB       VAL  23   6.277  13.279   5.560
  182   1HG1  VAL  23          1HG1      VAL  23   6.836  10.838   4.593
  183   2HG1  VAL  23          2HG1      VAL  23   8.398  11.605   4.304
  184   3HG1  VAL  23          3HG1      VAL  23   7.734  11.544   5.937
  185   1HG2  VAL  23          1HG2      VAL  23   7.330  14.930   3.921
  186   2HG2  VAL  23          2HG2      VAL  23   8.402  14.304   5.173
  187   3HG2  VAL  23          3HG2      VAL  23   8.491  13.660   3.534
  188    H    LEU  24           H        LEU  24   6.012  10.507   2.509
  189    HA   LEU  24           HA       LEU  24   7.394  11.520   0.104
  190   1HB   LEU  24          1HB       LEU  24   9.034   9.884   0.169
  191   2HB   LEU  24          2HB       LEU  24   8.918  10.436   1.819
  192    HG   LEU  24           HG       LEU  24   9.156   8.123   2.020
  193   1HD1  LEU  24          1HD1      LEU  24   7.135   9.033   3.236
  194   2HD1  LEU  24          2HD1      LEU  24   6.145   8.400   1.922
  195   3HD1  LEU  24          3HD1      LEU  24   7.092   7.299   2.921
  196   1HD2  LEU  24          1HD2      LEU  24   8.488   7.966  -0.578
  197   2HD2  LEU  24          2HD2      LEU  24   8.500   6.554   0.478
  198   3HD2  LEU  24          3HD2      LEU  24   6.982   7.379   0.126
  199    H    LEU  25           H        LEU  25   4.663   9.982   1.143
  200    HA   LEU  25           HA       LEU  25   4.519   7.911  -0.861
  201   1HB   LEU  25          1HB       LEU  25   3.243   8.275   1.474
  202   2HB   LEU  25          2HB       LEU  25   2.066   8.993   0.401
  203    HG   LEU  25           HG       LEU  25   1.767   6.915  -0.773
  204   1HD1  LEU  25          1HD1      LEU  25   4.384   6.325   0.356
  205   2HD1  LEU  25          2HD1      LEU  25   3.250   5.012   0.669
  206   3HD1  LEU  25          3HD1      LEU  25   3.547   5.544  -0.984
  207   1HD2  LEU  25          1HD2      LEU  25   1.717   6.906   2.218
  208   2HD2  LEU  25          2HD2      LEU  25   0.375   6.838   1.076
  209   3HD2  LEU  25          3HD2      LEU  25   1.354   5.401   1.374
  210    H    SER  26           H        SER  26   2.471   7.949  -2.316
  211    HA   SER  26           HA       SER  26   2.085  10.653  -3.440
  212   1HB   SER  26          1HB       SER  26   2.433   9.909  -5.667
  213   2HB   SER  26          2HB       SER  26   3.786   9.271  -4.741
  214    HG   SER  26           HG       SER  26   1.805   7.968  -6.074
  215    H    SER  27           H        SER  27   0.992   7.277  -3.847
  216    HA   SER  27           HA       SER  27  -1.756   8.041  -3.299
  217   1HB   SER  27          1HB       SER  27  -0.770   7.662  -6.049
  218   2HB   SER  27          2HB       SER  27  -2.230   6.763  -5.658
  219    HG   SER  27           HG       SER  27  -1.750   9.536  -5.628
  220    H    TRP  28           H        TRP  28  -3.145   5.956  -4.098
  221    HA   TRP  28           HA       TRP  28  -1.724   3.485  -3.383
  222   1HB   TRP  28          1HB       TRP  28  -3.575   2.889  -1.795
  223   2HB   TRP  28          2HB       TRP  28  -2.585   4.237  -1.241
  224    HD1  TRP  28           HD1      TRP  28  -3.641   6.664  -1.277
  225    HE1  TRP  28           HE1      TRP  28  -6.076   7.494  -1.426
  226    HE3  TRP  28           HE3      TRP  28  -5.949   2.357  -2.788
  227    HZ2  TRP  28           HZ2      TRP  28  -8.659   6.461  -2.117
  228    HZ3  TRP  28           HZ3      TRP  28  -8.389   2.315  -3.186
  229    HH2  TRP  28           HH2      TRP  28  -9.749   4.359  -2.847
  230    H    TYR  29           H        TYR  29  -2.675   1.623  -4.250
  231    HA   TYR  29           HA       TYR  29  -5.148   2.051  -5.784
  232   1HB   TYR  29          1HB       TYR  29  -4.324   1.231  -7.790
  233   2HB   TYR  29          2HB       TYR  29  -2.968   2.171  -7.192
  234    HD1  TYR  29           HD1      TYR  29  -1.270   0.739  -5.628
  235    HD2  TYR  29           HD2      TYR  29  -3.913  -0.880  -8.604
  236    HE1  TYR  29           HE1      TYR  29   0.165  -1.272  -5.817
  237    HE2  TYR  29           HE2      TYR  29  -2.475  -2.885  -8.791
  238    HH   TYR  29           HH       TYR  29  -0.705  -4.054  -6.980
  239    HA   PRO  30           HA       PRO  30  -6.112  -1.778  -3.730
  240   1HB   PRO  30          1HB       PRO  30  -8.615  -2.132  -4.760
  241   2HB   PRO  30          2HB       PRO  30  -8.233  -0.957  -3.493
  242   1HG   PRO  30          1HG       PRO  30  -8.858  -0.501  -6.343
  243   2HG   PRO  30          2HG       PRO  30  -9.032   0.590  -4.961
  244   1HD   PRO  30          1HD       PRO  30  -6.945   0.609  -6.907
  245   2HD   PRO  30          2HD       PRO  30  -7.034   1.581  -5.419
  246    H    THR  31           H        THR  31  -5.503  -3.804  -4.214
  247    HA   THR  31           HA       THR  31  -5.026  -4.668  -6.890
  248    HB   THR  31           HB       THR  31  -3.658  -5.604  -5.149
  249    HG1  THR  31           HG1      THR  31  -3.779  -7.254  -6.433
  250   1HG2  THR  31          1HG2      THR  31  -6.295  -6.081  -3.857
  251   2HG2  THR  31          2HG2      THR  31  -5.025  -7.268  -3.556
  252   3HG2  THR  31          3HG2      THR  31  -4.764  -5.573  -3.142
  253    H    SER  32           H        SER  32  -5.931  -7.001  -7.454
  254    HA   SER  32           HA       SER  32  -8.629  -6.686  -8.158
  255   1HB   SER  32          1HB       SER  32  -7.599  -9.458  -7.886
  256   2HB   SER  32          2HB       SER  32  -8.429  -8.690  -9.235
  257    HG   SER  32           HG       SER  32  -6.460  -8.634 -10.013
  258    H    GLN  33           H        GLN  33 -10.536  -7.413  -7.320
  259    HA   GLN  33           HA       GLN  33 -10.645  -7.842  -4.490
  260   1HB   GLN  33          1HB       GLN  33 -13.100  -8.139  -4.915
  261   2HB   GLN  33          2HB       GLN  33 -12.445  -6.618  -5.512
  262   1HG   GLN  33          1HG       GLN  33 -12.473  -7.365  -7.762
  263   2HG   GLN  33          2HG       GLN  33 -12.656  -9.053  -7.287
  264   2HE2  GLN  33          2HE2      GLN  33 -14.715  -9.635  -8.024
  265   1HE2  GLN  33          1HE2      GLN  33 -16.132  -8.756  -7.704
  266    H    LEU  34           H        LEU  34 -10.796  -9.879  -7.333
  267    HA   LEU  34           HA       LEU  34 -11.682 -12.212  -5.875
  268   1HB   LEU  34          1HB       LEU  34 -11.648 -13.347  -7.917
  269   2HB   LEU  34          2HB       LEU  34 -12.192 -11.732  -8.292
  270    HG   LEU  34           HG       LEU  34  -9.639 -13.111  -9.060
  271   1HD1  LEU  34          1HD1      LEU  34 -11.602 -13.053 -10.556
  272   2HD1  LEU  34          2HD1      LEU  34 -11.590 -11.290 -10.491
  273   3HD1  LEU  34          3HD1      LEU  34 -10.245 -12.154 -11.236
  274   1HD2  LEU  34          1HD2      LEU  34  -8.985 -10.914  -7.973
  275   2HD2  LEU  34          2HD2      LEU  34  -8.602 -11.008  -9.687
  276   3HD2  LEU  34          3HD2      LEU  34 -10.010 -10.098  -9.148
  277    H    CYS  35           H        CYS  35  -9.663 -11.519  -4.407
  278    HA   CYS  35           HA       CYS  35  -7.465 -13.342  -5.174
  279   1HB   CYS  35          1HB       CYS  35  -7.388 -10.526  -4.262
  280   2HB   CYS  35          2HB       CYS  35  -6.217 -11.601  -3.509
  281    H    SER  36           H        SER  36  -9.944 -13.659  -3.466
  282    HA   SER  36           HA       SER  36 -10.488 -14.810  -1.555
  283   1HB   SER  36          1HB       SER  36  -7.711 -15.140  -0.589
  284   2HB   SER  36          2HB       SER  36  -9.001 -16.327  -0.745
  285    HG   SER  36           HG       SER  36  -6.989 -16.127  -2.302
  286    H    LYS  37           H        LYS  37  -7.475 -13.168  -0.626
  287    HA   LYS  37           HA       LYS  37  -9.033 -11.510   1.258
  288   1HB   LYS  37          1HB       LYS  37  -7.179 -11.741   2.900
  289   2HB   LYS  37          2HB       LYS  37  -7.990 -13.273   2.580
  290   1HG   LYS  37          1HG       LYS  37  -6.073 -14.200   1.846
  291   2HG   LYS  37          2HG       LYS  37  -5.839 -12.901   0.680
  292   1HD   LYS  37          1HD       LYS  37  -3.940 -12.946   2.201
  293   2HD   LYS  37          2HD       LYS  37  -4.886 -11.490   2.512
  294   1HE   LYS  37          1HE       LYS  37  -4.217 -12.680   4.608
  295   2HE   LYS  37          2HE       LYS  37  -5.966 -12.542   4.424
  296   1HZ   LYS  37          1HZ       LYS  37  -4.524 -14.916   3.431
  297   2HZ   LYS  37          2HZ       LYS  37  -4.980 -14.802   5.060
  298   3HZ   LYS  37          3HZ       LYS  37  -6.165 -14.758   3.844
  299    HA   PRO  38           HA       PRO  38  -6.086  -8.986  -1.282
  300   1HB   PRO  38          1HB       PRO  38  -7.936  -7.353  -2.451
  301   2HB   PRO  38          2HB       PRO  38  -7.427  -8.907  -3.126
  302   1HG   PRO  38          1HG       PRO  38  -9.969  -8.178  -1.812
  303   2HG   PRO  38          2HG       PRO  38  -9.627  -9.479  -2.962
  304   1HD   PRO  38          1HD       PRO  38  -9.909  -9.724  -0.132
  305   2HD   PRO  38          2HD       PRO  38  -9.395 -10.990  -1.272
  306    H    GLY  39           H        GLY  39  -6.405  -6.374  -1.618
  307   1HA   GLY  39          1HA       GLY  39  -5.892  -5.190   0.862
  308   2HA   GLY  39          2HA       GLY  39  -7.584  -4.878   0.472
  309    H    VAL  40           H        VAL  40  -4.731  -3.425   0.394
  310    HA   VAL  40           HA       VAL  40  -4.818  -2.397  -2.335
  311    HB   VAL  40           HB       VAL  40  -5.134  -0.495   0.005
  312   1HG1  VAL  40          1HG1      VAL  40  -4.048   0.005  -2.426
  313   2HG1  VAL  40          2HG1      VAL  40  -5.749   0.282  -2.785
  314   3HG1  VAL  40          3HG1      VAL  40  -4.958   1.199  -1.505
  315   1HG2  VAL  40          1HG2      VAL  40  -7.146  -1.601  -1.960
  316   2HG2  VAL  40          2HG2      VAL  40  -7.224  -1.641  -0.199
  317   3HG2  VAL  40          3HG2      VAL  40  -7.416  -0.112  -1.057
  318    H    ILE  41           H        ILE  41  -2.900  -1.565  -3.005
  319    HA   ILE  41           HA       ILE  41  -0.661  -1.734  -1.092
  320    HB   ILE  41           HB       ILE  41  -0.778  -2.009  -4.101
  321   1HG1  ILE  41          1HG1      ILE  41   0.340  -4.239  -3.392
  322   2HG1  ILE  41          2HG1      ILE  41  -0.258  -3.846  -1.779
  323   1HG2  ILE  41          1HG2      ILE  41   1.573  -1.636  -2.260
  324   2HG2  ILE  41          2HG2      ILE  41   1.735  -2.628  -3.710
  325   3HG2  ILE  41          3HG2      ILE  41   1.284  -0.927  -3.851
  326   1HD1  ILE  41          1HD1      ILE  41  -2.186  -3.594  -4.037
  327   2HD1  ILE  41          2HD1      ILE  41  -1.738  -5.226  -3.539
  328   3HD1  ILE  41          3HD1      ILE  41  -2.463  -4.116  -2.375
  329    H    PHE  42           H        PHE  42   0.661  -0.013  -0.760
  330    HA   PHE  42           HA       PHE  42  -0.239   2.570  -1.817
  331   1HB   PHE  42          1HB       PHE  42   1.521   1.712   0.464
  332   2HB   PHE  42          2HB       PHE  42   1.680   3.342  -0.188
  333    HD1  PHE  42           HD1      PHE  42  -0.360   4.837  -0.288
  334    HD2  PHE  42           HD2      PHE  42  -0.308   1.116   1.854
  335    HE1  PHE  42           HE1      PHE  42  -2.364   5.543   0.985
  336    HE2  PHE  42           HE2      PHE  42  -2.310   1.825   3.133
  337    HZ   PHE  42           HZ       PHE  42  -3.340   4.039   2.700
  338    H    LEU  43           H        LEU  43   0.982   3.846  -3.143
  339    HA   LEU  43           HA       LEU  43   3.524   2.677  -4.110
  340   1HB   LEU  43          1HB       LEU  43   1.292   4.073  -5.506
  341   2HB   LEU  43          2HB       LEU  43   2.917   4.300  -6.115
  342    HG   LEU  43           HG       LEU  43   3.144   1.913  -6.513
  343   1HD1  LEU  43          1HD1      LEU  43   0.392   1.766  -5.251
  344   2HD1  LEU  43          2HD1      LEU  43   1.148   0.436  -6.127
  345   3HD1  LEU  43          3HD1      LEU  43   1.876   1.037  -4.639
  346   1HD2  LEU  43          1HD2      LEU  43   0.607   3.216  -7.521
  347   2HD2  LEU  43          2HD2      LEU  43   2.155   3.066  -8.351
  348   3HD2  LEU  43          3HD2      LEU  43   1.144   1.642  -8.107
  349    H    THR  44           H        THR  44   5.061   3.731  -2.956
  350    HA   THR  44           HA       THR  44   4.873   6.454  -2.153
  351    HB   THR  44           HB       THR  44   7.325   6.225  -1.717
  352    HG1  THR  44           HG1      THR  44   7.569   4.707  -3.543
  353   1HG2  THR  44          1HG2      THR  44   5.257   4.327  -0.730
  354   2HG2  THR  44          2HG2      THR  44   6.930   3.992  -0.290
  355   3HG2  THR  44          3HG2      THR  44   6.194   5.530   0.157
  356    H    LYS  45           H        LYS  45   6.559   8.103  -2.875
  357    HA   LYS  45           HA       LYS  45   6.188   8.696  -5.612
  358   1HB   LYS  45          1HB       LYS  45   8.020   9.781  -3.485
  359   2HB   LYS  45          2HB       LYS  45   8.160  10.327  -5.157
  360   1HG   LYS  45          1HG       LYS  45   6.143  11.421  -5.116
  361   2HG   LYS  45          2HG       LYS  45   5.419  10.263  -3.999
  362   1HD   LYS  45          1HD       LYS  45   5.664  12.040  -2.553
  363   2HD   LYS  45          2HD       LYS  45   7.252  11.301  -2.346
  364   1HE   LYS  45          1HE       LYS  45   7.821  12.832  -4.463
  365   2HE   LYS  45          2HE       LYS  45   6.497  13.793  -3.806
  366   1HZ   LYS  45          1HZ       LYS  45   7.642  13.759  -1.648
  367   2HZ   LYS  45          2HZ       LYS  45   8.943  12.935  -2.358
  368   3HZ   LYS  45          3HZ       LYS  45   8.565  14.514  -2.857
  369    H    ARG  46           H        ARG  46   9.126   7.693  -3.871
  370    HA   ARG  46           HA       ARG  46  10.086   6.417  -6.360
  371   1HB   ARG  46          1HB       ARG  46  11.221   8.622  -5.900
  372   2HB   ARG  46          2HB       ARG  46  11.851   7.900  -4.417
  373   1HG   ARG  46          1HG       ARG  46  13.230   6.420  -5.556
  374   2HG   ARG  46          2HG       ARG  46  12.218   6.430  -7.001
  375   1HD   ARG  46          1HD       ARG  46  14.095   7.693  -7.646
  376   2HD   ARG  46          2HD       ARG  46  12.903   8.916  -7.218
  377    HE   ARG  46           HE       ARG  46  14.261   9.542  -5.444
  378   1HH1  ARG  46          1HH1      ARG  46  15.249   6.396  -6.620
  379   2HH1  ARG  46          2HH1      ARG  46  16.662   6.342  -5.624
  380   1HH2  ARG  46          1HH2      ARG  46  16.114   9.430  -4.162
  381   2HH2  ARG  46          2HH2      ARG  46  17.149   8.044  -4.243
  382    H    GLY  47           H        GLY  47   9.150   5.851  -3.245
  383   1HA   GLY  47          1HA       GLY  47   9.642   4.279  -1.643
  384   2HA   GLY  47          2HA       GLY  47  11.264   4.173  -2.314
  385    H    ARG  48           H        ARG  48   8.324   2.613  -1.925
  386    HA   ARG  48           HA       ARG  48   8.565   0.867  -4.249
  387   1HB   ARG  48          1HB       ARG  48   9.571   0.149  -1.572
  388   2HB   ARG  48          2HB       ARG  48   8.489  -1.047  -2.280
  389   1HG   ARG  48          1HG       ARG  48   9.899  -0.852  -4.409
  390   2HG   ARG  48          2HG       ARG  48  11.069   0.031  -3.428
  391   1HD   ARG  48          1HD       ARG  48  11.795  -2.222  -3.334
  392   2HD   ARG  48          2HD       ARG  48  10.963  -1.955  -1.806
  393    HE   ARG  48           HE       ARG  48   9.169  -2.972  -3.785
  394   1HH1  ARG  48          1HH1      ARG  48  11.748  -3.915  -1.614
  395   2HH1  ARG  48          2HH1      ARG  48  11.200  -5.550  -1.490
  396   1HH2  ARG  48          1HH2      ARG  48   8.487  -5.114  -3.594
  397   2HH2  ARG  48          2HH2      ARG  48   9.369  -6.225  -2.600
  398    H    GLN  49           H        GLN  49   7.009  -1.200  -3.555
  399    HA   GLN  49           HA       GLN  49   4.426   0.087  -2.979
  400   1HB   GLN  49          1HB       GLN  49   5.281  -2.248  -4.612
  401   2HB   GLN  49          2HB       GLN  49   3.701  -2.343  -3.838
  402   1HG   GLN  49          1HG       GLN  49   2.820  -0.653  -5.113
  403   2HG   GLN  49          2HG       GLN  49   4.352   0.215  -5.208
  404   2HE2  GLN  49          2HE2      GLN  49   6.033  -0.756  -6.711
  405   1HE2  GLN  49          1HE2      GLN  49   5.496  -1.614  -8.074
  406    H    VAL  50           H        VAL  50   3.133  -0.570  -1.314
  407    HA   VAL  50           HA       VAL  50   3.994  -2.882   0.298
  408    HB   VAL  50           HB       VAL  50   3.358  -0.154   1.456
  409   1HG1  VAL  50          1HG1      VAL  50   4.210  -2.762   2.755
  410   2HG1  VAL  50          2HG1      VAL  50   4.052  -1.218   3.591
  411   3HG1  VAL  50          3HG1      VAL  50   2.627  -1.997   2.903
  412   1HG2  VAL  50          1HG2      VAL  50   5.945  -1.691   1.123
  413   2HG2  VAL  50          2HG2      VAL  50   5.560  -0.089   0.494
  414   3HG2  VAL  50          3HG2      VAL  50   5.768  -0.328   2.228
  415    H    CYS  51           H        CYS  51   2.356  -4.095   1.017
  416    HA   CYS  51           HA       CYS  51  -0.339  -3.501   0.191
  417   1HB   CYS  51          1HB       CYS  51   0.910  -5.723   1.809
  418   2HB   CYS  51          2HB       CYS  51  -0.835  -5.602   1.580
  419    H    ALA  52           H        ALA  52  -2.073  -2.878   1.471
  420    HA   ALA  52           HA       ALA  52  -1.637  -2.513   4.342
  421   1HB   ALA  52          1HB       ALA  52  -0.929  -0.410   2.971
  422   2HB   ALA  52          2HB       ALA  52  -2.666  -0.162   2.792
  423   3HB   ALA  52          3HB       ALA  52  -1.943  -0.208   4.399
  424    H    ASP  53           H        ASP  53  -3.474  -2.586   5.535
  425    HA   ASP  53           HA       ASP  53  -5.958  -3.192   4.068
  426   1HB   ASP  53          1HB       ASP  53  -4.864  -3.972   6.738
  427   2HB   ASP  53          2HB       ASP  53  -6.615  -3.868   6.551
  428    H    LYS  54           H        LYS  54  -7.692  -1.898   4.197
  429    HA   LYS  54           HA       LYS  54  -7.501   0.736   5.144
  430   1HB   LYS  54          1HB       LYS  54  -9.971   0.819   4.835
  431   2HB   LYS  54          2HB       LYS  54  -9.129   0.137   3.443
  432   1HG   LYS  54          1HG       LYS  54  -9.558  -2.126   4.867
  433   2HG   LYS  54          2HG       LYS  54 -10.954  -1.180   5.382
  434   1HD   LYS  54          1HD       LYS  54 -10.203  -1.483   2.469
  435   2HD   LYS  54          2HD       LYS  54 -11.277  -2.617   3.287
  436   1HE   LYS  54          1HE       LYS  54 -12.774  -0.748   3.906
  437   2HE   LYS  54          2HE       LYS  54 -11.708   0.376   3.063
  438   1HZ   LYS  54          1HZ       LYS  54 -12.770  -1.972   1.645
  439   2HZ   LYS  54          2HZ       LYS  54 -13.750  -0.602   1.846
  440   3HZ   LYS  54          3HZ       LYS  54 -12.270  -0.473   1.020
  441    H    SER  55           H        SER  55  -8.415  -2.210   6.765
  442    HA   SER  55           HA       SER  55  -9.914  -1.206   8.905
  443   1HB   SER  55          1HB       SER  55  -9.060  -3.681   8.192
  444   2HB   SER  55          2HB       SER  55  -8.006  -3.359   9.564
  445    HG   SER  55           HG       SER  55  -9.830  -4.171  10.445
  446    H    LYS  56           H        LYS  56  -6.479  -1.108   8.278
  447    HA   LYS  56           HA       LYS  56  -5.530  -0.585  10.877
  448   1HB   LYS  56          1HB       LYS  56  -4.527  -0.079   8.115
  449   2HB   LYS  56          2HB       LYS  56  -3.761   0.799   9.440
  450   1HG   LYS  56          1HG       LYS  56  -2.547  -1.269   9.129
  451   2HG   LYS  56          2HG       LYS  56  -3.468  -1.406  10.627
  452   1HD   LYS  56          1HD       LYS  56  -5.156  -2.745   9.571
  453   2HD   LYS  56          2HD       LYS  56  -4.500  -2.413   7.967
  454   1HE   LYS  56          1HE       LYS  56  -2.800  -3.742  10.069
  455   2HE   LYS  56          2HE       LYS  56  -3.920  -4.689   9.088
  456   1HZ   LYS  56          1HZ       LYS  56  -2.858  -3.696   7.102
  457   2HZ   LYS  56          2HZ       LYS  56  -1.699  -2.978   8.115
  458   3HZ   LYS  56          3HZ       LYS  56  -1.806  -4.668   8.017
  459    H    ASP  57           H        ASP  57  -4.313   1.723  11.123
  460    HA   ASP  57           HA       ASP  57  -6.497   3.708  11.017
  461   1HB   ASP  57          1HB       ASP  57  -5.226   4.860  12.839
  462   2HB   ASP  57          2HB       ASP  57  -5.786   3.248  13.286
  463    H    TRP  58           H        TRP  58  -3.012   3.289  10.517
  464    HA   TRP  58           HA       TRP  58  -2.656   5.956   9.518
  465   1HB   TRP  58          1HB       TRP  58  -0.409   5.176   8.815
  466   2HB   TRP  58          2HB       TRP  58  -0.750   4.853  10.510
  467    HD1  TRP  58           HD1      TRP  58  -1.128   2.323  11.239
  468    HE1  TRP  58           HE1      TRP  58  -0.434   0.105  10.130
  469    HE3  TRP  58           HE3      TRP  58  -0.116   3.976   6.524
  470    HZ2  TRP  58           HZ2      TRP  58   0.438  -0.851   7.560
  471    HZ3  TRP  58           HZ3      TRP  58   0.644   2.405   4.768
  472    HH2  TRP  58           HH2      TRP  58   0.919  -0.003   5.280
  473    H    VAL  59           H        VAL  59  -3.618   2.926   8.139
  474    HA   VAL  59           HA       VAL  59  -3.006   3.602   5.412
  475    HB   VAL  59           HB       VAL  59  -4.984   1.576   6.488
  476   1HG1  VAL  59          1HG1      VAL  59  -4.097   2.367   3.796
  477   2HG1  VAL  59          2HG1      VAL  59  -3.940   0.638   4.105
  478   3HG1  VAL  59          3HG1      VAL  59  -5.506   1.429   4.284
  479   1HG2  VAL  59          1HG2      VAL  59  -2.060   1.291   5.733
  480   2HG2  VAL  59          2HG2      VAL  59  -2.713   1.214   7.369
  481   3HG2  VAL  59          3HG2      VAL  59  -3.129  -0.034   6.194
  482    H    LYS  60           H        LYS  60  -5.741   3.940   7.582
  483    HA   LYS  60           HA       LYS  60  -7.682   4.681   5.651
  484   1HB   LYS  60          1HB       LYS  60  -8.030   3.997   8.115
  485   2HB   LYS  60          2HB       LYS  60  -7.663   5.680   8.493
  486   1HG   LYS  60          1HG       LYS  60  -9.497   6.458   7.117
  487   2HG   LYS  60          2HG       LYS  60  -9.797   4.827   6.517
  488   1HD   LYS  60          1HD       LYS  60  -9.984   4.343   9.158
  489   2HD   LYS  60          2HD       LYS  60 -10.488   6.034   9.149
  490   1HE   LYS  60          1HE       LYS  60 -12.534   5.079   8.724
  491   2HE   LYS  60          2HE       LYS  60 -11.942   5.159   7.065
  492   1HZ   LYS  60          1HZ       LYS  60 -11.461   2.818   8.812
  493   2HZ   LYS  60          2HZ       LYS  60 -12.838   2.948   7.826
  494   3HZ   LYS  60          3HZ       LYS  60 -11.295   2.920   7.124
  495    H    LYS  61           H        LYS  61  -5.470   6.571   7.684
  496    HA   LYS  61           HA       LYS  61  -6.382   9.128   6.918
  497   1HB   LYS  61          1HB       LYS  61  -4.658   8.360   8.775
  498   2HB   LYS  61          2HB       LYS  61  -3.483   8.688   7.501
  499   1HG   LYS  61          1HG       LYS  61  -4.540  10.954   7.207
  500   2HG   LYS  61          2HG       LYS  61  -5.532  10.617   8.627
  501   1HD   LYS  61          1HD       LYS  61  -3.414  10.219   9.926
  502   2HD   LYS  61          2HD       LYS  61  -2.507  10.769   8.516
  503   1HE   LYS  61          1HE       LYS  61  -2.741  12.696   9.896
  504   2HE   LYS  61          2HE       LYS  61  -3.938  12.895   8.616
  505   1HZ   LYS  61          1HZ       LYS  61  -4.622  11.591  11.176
  506   2HZ   LYS  61          2HZ       LYS  61  -4.687  13.276  11.002
  507   3HZ   LYS  61          3HZ       LYS  61  -5.664  12.285  10.028
  508    H    LEU  62           H        LEU  62  -3.877   7.019   5.558
  509    HA   LEU  62           HA       LEU  62  -2.936   8.841   3.604
  510   1HB   LEU  62          1HB       LEU  62  -2.977   5.828   3.552
  511   2HB   LEU  62          2HB       LEU  62  -2.081   6.841   2.444
  512    HG   LEU  62           HG       LEU  62  -1.577   7.111   5.382
  513   1HD1  LEU  62          1HD1      LEU  62  -0.748   4.848   3.571
  514   2HD1  LEU  62          2HD1      LEU  62   0.256   5.333   4.937
  515   3HD1  LEU  62          3HD1      LEU  62  -1.391   4.765   5.211
  516   1HD2  LEU  62          1HD2      LEU  62  -0.230   7.688   2.784
  517   2HD2  LEU  62          2HD2      LEU  62  -0.257   8.639   4.269
  518   3HD2  LEU  62          3HD2      LEU  62   0.806   7.238   4.138
  519    H    MET  63           H        MET  63  -5.389   6.293   3.517
  520    HA   MET  63           HA       MET  63  -6.067   6.440   0.802
  521   1HB   MET  63          1HB       MET  63  -7.629   5.669   3.252
  522   2HB   MET  63          2HB       MET  63  -8.390   5.696   1.664
  523   1HG   MET  63          1HG       MET  63  -6.350   4.283   0.900
  524   2HG   MET  63          2HG       MET  63  -6.101   3.987   2.620
  525   1HE   MET  63          1HE       MET  63  -6.931   2.749  -0.234
  526   2HE   MET  63          2HE       MET  63  -8.089   1.432  -0.003
  527   3HE   MET  63          3HE       MET  63  -8.649   3.025  -0.503
  528    H    GLN  64           H        GLN  64  -7.102   8.394   3.538
  529    HA   GLN  64           HA       GLN  64  -9.003   9.906   1.933
  530   1HB   GLN  64          1HB       GLN  64  -8.976   9.354   4.565
  531   2HB   GLN  64          2HB       GLN  64  -8.140  10.907   4.594
  532   1HG   GLN  64          1HG       GLN  64 -10.284  11.716   4.655
  533   2HG   GLN  64          2HG       GLN  64 -10.154  11.527   2.907
  534   2HE2  GLN  64          2HE2      GLN  64 -12.301  10.944   5.292
  535   1HE2  GLN  64          1HE2      GLN  64 -13.024   9.520   4.717
  536    H    GLN  65           H        GLN  65  -5.737  10.210   3.164
  537    HA   GLN  65           HA       GLN  65  -5.426  12.993   2.585
  538   1HB   GLN  65          1HB       GLN  65  -3.599  10.740   3.306
  539   2HB   GLN  65          2HB       GLN  65  -2.903  12.214   2.635
  540   1HG   GLN  65          1HG       GLN  65  -4.935  12.665   4.734
  541   2HG   GLN  65          2HG       GLN  65  -3.475  11.851   5.290
  542   2HE2  GLN  65          2HE2      GLN  65  -2.036  13.370   6.100
  543   1HE2  GLN  65          1HE2      GLN  65  -1.746  14.899   5.421
  544    H    LEU  66           H        LEU  66  -4.898  10.000   0.827
  545    HA   LEU  66           HA       LEU  66  -4.004  11.554  -1.524
  546   1HB   LEU  66          1HB       LEU  66  -3.549   8.692  -0.739
  547   2HB   LEU  66          2HB       LEU  66  -3.265   9.281  -2.362
  548    HG   LEU  66           HG       LEU  66  -1.162   9.265  -1.291
  549   1HD1  LEU  66          1HD1      LEU  66  -2.055  11.507  -2.409
  550   2HD1  LEU  66          2HD1      LEU  66  -1.823  12.126  -0.774
  551   3HD1  LEU  66          3HD1      LEU  66  -0.462  11.431  -1.654
  552   1HD2  LEU  66          1HD2      LEU  66  -2.388   9.247   1.041
  553   2HD2  LEU  66          2HD2      LEU  66  -0.740   9.862   0.919
  554   3HD2  LEU  66          3HD2      LEU  66  -2.099  10.986   0.976
  555    HA   PRO  67           HA       PRO  67  -7.806  10.334  -3.406
  556   1HB   PRO  67          1HB       PRO  67  -7.149  10.604  -6.053
  557   2HB   PRO  67          2HB       PRO  67  -7.462  11.969  -4.969
  558   1HG   PRO  67          1HG       PRO  67  -4.885  10.973  -6.044
  559   2HG   PRO  67          2HG       PRO  67  -5.336  12.603  -5.524
  560   1HD   PRO  67          1HD       PRO  67  -3.801  10.742  -4.042
  561   2HD   PRO  67          2HD       PRO  67  -4.514  12.248  -3.420
  562    H    VAL  68           H        VAL  68  -5.644   9.135  -5.943
  563    HA   VAL  68           HA       VAL  68  -5.558   6.422  -5.183
  564    HB   VAL  68           HB       VAL  68  -7.975   7.290  -6.710
  565   1HG1  VAL  68          1HG1      VAL  68  -6.758   6.040  -8.473
  566   2HG1  VAL  68          2HG1      VAL  68  -6.579   4.675  -7.369
  567   3HG1  VAL  68          3HG1      VAL  68  -8.183   5.160  -7.921
  568   1HG2  VAL  68          1HG2      VAL  68  -7.196   5.399  -4.581
  569   2HG2  VAL  68          2HG2      VAL  68  -8.686   6.317  -4.782
  570   3HG2  VAL  68          3HG2      VAL  68  -8.458   4.807  -5.660
  571    H    THR  69           H        THR  69  -4.665   5.078  -6.982
  572    HA   THR  69           HA       THR  69  -2.541   6.378  -8.277
  573    HB   THR  69           HB       THR  69  -2.471   3.986  -7.831
  574    HG1  THR  69           HG1      THR  69  -1.250   3.843  -9.507
  575   1HG2  THR  69          1HG2      THR  69  -4.777   3.885  -9.788
  576   2HG2  THR  69          2HG2      THR  69  -3.858   2.461  -9.296
  577   3HG2  THR  69          3HG2      THR  69  -4.781   3.373  -8.101
  578    H    ALA  70           H        ALA  70  -2.229   6.020 -10.773
  579    HA   ALA  70           HA       ALA  70  -3.892   7.848 -12.105
  580   1HB   ALA  70          1HB       ALA  70  -2.655   7.370 -14.053
  581   2HB   ALA  70          2HB       ALA  70  -2.323   5.715 -13.540
  582   3HB   ALA  70          3HB       ALA  70  -1.521   7.065 -12.738
  583    H    ARG  71           H        ARG  71  -3.812   4.295 -12.243
  584    HA   ARG  71           HA       ARG  71  -6.642   4.276 -12.962
  585   1HB   ARG  71          1HB       ARG  71  -4.858   4.198 -15.028
  586   2HB   ARG  71          2HB       ARG  71  -5.032   2.480 -14.673
  587   1HG   ARG  71          1HG       ARG  71  -7.383   4.353 -15.056
  588   2HG   ARG  71          2HG       ARG  71  -6.697   3.374 -16.353
  589   1HD   ARG  71          1HD       ARG  71  -8.225   1.836 -15.649
  590   2HD   ARG  71          2HD       ARG  71  -7.004   1.478 -14.433
  591    HE   ARG  71           HE       ARG  71  -8.632   3.570 -13.474
  592   1HH1  ARG  71          1HH1      ARG  71  -8.831   0.161 -14.245
  593   2HH1  ARG  71          2HH1      ARG  71 -10.080  -0.144 -13.087
  594   1HH2  ARG  71          1HH2      ARG  71 -10.259   3.128 -11.976
  595   2HH2  ARG  71          2HH2      ARG  71 -10.882   1.521 -11.812

  No H/Q in entry =         595
  Start of MODEL   10
    1    H1   LEU   1           H1       LEU   1  -2.901   7.569 -22.833
    2    H2   LEU   1           H2       LEU   1  -2.282   9.092 -22.416
    3    H3   LEU   1           H3       LEU   1  -2.229   7.819 -21.293
    4    HA   LEU   1           HA       LEU   1  -3.996   9.333 -20.710
    5   1HB   LEU   1          1HB       LEU   1  -4.808   8.789 -23.571
    6   2HB   LEU   1          2HB       LEU   1  -5.954   9.401 -22.375
    7    HG   LEU   1           HG       LEU   1  -3.330  10.799 -22.567
    8   1HD1  LEU   1          1HD1      LEU   1  -4.142  10.355 -24.948
    9   2HD1  LEU   1          2HD1      LEU   1  -5.544  11.350 -24.555
   10   3HD1  LEU   1          3HD1      LEU   1  -3.927  12.052 -24.515
   11   1HD2  LEU   1          1HD2      LEU   1  -6.227  11.605 -22.175
   12   2HD2  LEU   1          2HD2      LEU   1  -4.961  11.559 -20.948
   13   3HD2  LEU   1          3HD2      LEU   1  -4.893  12.757 -22.242
   14    H    GLY   2           H        GLY   2  -3.930   7.473 -19.312
   15   1HA   GLY   2          1HA       GLY   2  -6.030   5.487 -19.963
   16   2HA   GLY   2          2HA       GLY   2  -5.692   6.071 -18.337
   17    H    ALA   3           H        ALA   3  -4.913   3.780 -20.758
   18    HA   ALA   3           HA       ALA   3  -3.552   1.927 -20.785
   19   1HB   ALA   3          1HB       ALA   3  -1.799   3.804 -20.731
   20   2HB   ALA   3          2HB       ALA   3  -1.273   2.200 -20.217
   21   3HB   ALA   3          3HB       ALA   3  -1.637   3.438 -19.013
   22    H    SER   4           H        SER   4  -4.395   0.272 -19.702
   23    HA   SER   4           HA       SER   4  -3.571  -0.288 -17.014
   24   1HB   SER   4          1HB       SER   4  -6.025  -0.480 -16.215
   25   2HB   SER   4          2HB       SER   4  -5.281   1.116 -16.232
   26    HG   SER   4           HG       SER   4  -7.027   1.531 -17.372
   27    H    TRP   5           H        TRP   5  -4.754  -2.313 -16.198
   28    HA   TRP   5           HA       TRP   5  -5.229  -4.104 -18.508
   29   1HB   TRP   5          1HB       TRP   5  -3.523  -4.362 -16.140
   30   2HB   TRP   5          2HB       TRP   5  -4.595  -5.744 -16.351
   31    HD1  TRP   5           HD1      TRP   5  -1.276  -5.000 -17.144
   32    HE1  TRP   5           HE1      TRP   5  -0.481  -6.054 -19.358
   33    HE3  TRP   5           HE3      TRP   5  -5.789  -6.105 -19.262
   34    HZ2  TRP   5           HZ2      TRP   5  -1.611  -7.214 -21.718
   35    HZ3  TRP   5           HZ3      TRP   5  -5.901  -7.184 -21.492
   36    HH2  TRP   5           HH2      TRP   5  -3.820  -7.738 -22.721
   37    H    HIS   6           H        HIS   6  -6.256  -6.276 -17.329
   38    HA   HIS   6           HA       HIS   6  -8.626  -5.339 -15.834
   39   1HB   HIS   6          1HB       HIS   6  -8.664  -7.343 -18.102
   40   2HB   HIS   6          2HB       HIS   6 -10.054  -6.801 -17.161
   41    HD1  HIS   6           HD1      HIS   6 -10.979  -4.435 -17.639
   42    HD2  HIS   6           HD2      HIS   6  -7.671  -5.422 -19.976
   43    HE1  HIS   6           HE1      HIS   6 -10.823  -2.664 -19.443
   44    H    ARG   7           H        ARG   7  -9.096  -6.505 -14.096
   45    HA   ARG   7           HA       ARG   7  -8.715  -7.983 -12.363
   46   1HB   ARG   7          1HB       ARG   7  -9.280 -10.339 -12.984
   47   2HB   ARG   7          2HB       ARG   7 -10.453  -9.152 -13.545
   48   1HG   ARG   7          1HG       ARG   7  -9.558  -9.223 -15.786
   49   2HG   ARG   7          2HG       ARG   7  -8.199 -10.217 -15.266
   50   1HD   ARG   7          1HD       ARG   7 -10.926 -11.251 -14.679
   51   2HD   ARG   7          2HD       ARG   7 -10.413 -11.271 -16.363
   52    HE   ARG   7           HE       ARG   7  -8.443 -12.373 -14.562
   53   1HH1  ARG   7          1HH1      ARG   7 -11.327 -13.055 -16.424
   54   2HH1  ARG   7          2HH1      ARG   7 -10.993 -14.748 -16.534
   55   1HH2  ARG   7          1HH2      ARG   7  -8.045 -14.586 -14.729
   56   2HH2  ARG   7          2HH2      ARG   7  -9.152 -15.610 -15.583
   57    HA   PRO   8           HA       PRO   8  -4.374  -9.197 -13.584
   58   1HB   PRO   8          1HB       PRO   8  -3.013  -7.317 -12.147
   59   2HB   PRO   8          2HB       PRO   8  -3.546  -7.079 -13.818
   60   1HG   PRO   8          1HG       PRO   8  -4.622  -5.915 -11.321
   61   2HG   PRO   8          2HG       PRO   8  -4.693  -5.295 -12.976
   62   1HD   PRO   8          1HD       PRO   8  -6.784  -6.611 -11.566
   63   2HD   PRO   8          2HD       PRO   8  -6.766  -6.190 -13.294
   64    H    ASP   9           H        ASP   9  -4.449 -11.078 -12.368
   65    HA   ASP   9           HA       ASP   9  -4.799 -11.222  -9.568
   66   1HB   ASP   9          1HB       ASP   9  -4.888 -13.100 -11.399
   67   2HB   ASP   9          2HB       ASP   9  -3.168 -13.261 -11.043
   68    H    LYS  10           H        LYS  10  -3.505 -10.264  -8.144
   69    HA   LYS  10           HA       LYS  10  -0.746 -10.995  -7.929
   70   1HB   LYS  10          1HB       LYS  10  -0.870  -9.142  -9.764
   71   2HB   LYS  10          2HB       LYS  10  -1.129  -8.055  -8.399
   72   1HG   LYS  10          1HG       LYS  10   0.957  -9.452  -7.431
   73   2HG   LYS  10          2HG       LYS  10   1.301  -9.600  -9.155
   74   1HD   LYS  10          1HD       LYS  10   1.714  -7.358  -9.407
   75   2HD   LYS  10          2HD       LYS  10   0.528  -6.896  -8.184
   76   1HE   LYS  10          1HE       LYS  10   2.031  -7.074  -6.461
   77   2HE   LYS  10          2HE       LYS  10   2.903  -8.406  -7.220
   78   1HZ   LYS  10          1HZ       LYS  10   3.563  -6.587  -8.923
   79   2HZ   LYS  10          2HZ       LYS  10   3.177  -5.513  -7.664
   80   3HZ   LYS  10          3HZ       LYS  10   4.383  -6.684  -7.437
   81    H    CYS  11           H        CYS  11  -3.141 -10.997  -6.322
   82    HA   CYS  11           HA       CYS  11  -3.195  -8.906  -4.426
   83   1HB   CYS  11          1HB       CYS  11  -3.923 -11.809  -3.974
   84   2HB   CYS  11          2HB       CYS  11  -4.459 -10.430  -3.015
   85    H    CYS  12           H        CYS  12  -2.892  -9.800  -1.956
   86    HA   CYS  12           HA       CYS  12  -0.307 -11.118  -1.647
   87   1HB   CYS  12          1HB       CYS  12   0.569  -9.248  -0.232
   88   2HB   CYS  12          2HB       CYS  12   0.414  -8.827  -1.937
   89    H    LEU  13           H        LEU  13   0.033 -11.946   0.412
   90    HA   LEU  13           HA       LEU  13  -2.390 -12.132   2.053
   91   1HB   LEU  13          1HB       LEU  13   0.219 -13.643   2.154
   92   2HB   LEU  13          2HB       LEU  13  -1.120 -13.909   3.248
   93    HG   LEU  13           HG       LEU  13  -1.150 -15.626   1.561
   94   1HD1  LEU  13          1HD1      LEU  13  -3.340 -14.714   2.265
   95   2HD1  LEU  13          2HD1      LEU  13  -3.268 -13.542   0.948
   96   3HD1  LEU  13          3HD1      LEU  13  -3.382 -15.265   0.590
   97   1HD2  LEU  13          1HD2      LEU  13   0.132 -14.110  -0.100
   98   2HD2  LEU  13          2HD2      LEU  13  -1.067 -15.216  -0.770
   99   3HD2  LEU  13          3HD2      LEU  13  -1.457 -13.507  -0.569
  100    H    GLY  14           H        GLY  14   0.905 -10.944   2.159
  101   1HA   GLY  14          1HA       GLY  14   2.121 -10.061   3.979
  102   2HA   GLY  14          2HA       GLY  14   0.695 -10.253   4.996
  103    H    TYR  15           H        TYR  15   1.719  -7.976   5.468
  104    HA   TYR  15           HA       TYR  15   0.796  -5.923   3.600
  105   1HB   TYR  15          1HB       TYR  15  -0.304  -6.252   6.399
  106   2HB   TYR  15          2HB       TYR  15  -0.441  -4.760   5.470
  107    HD1  TYR  15           HD1      TYR  15  -1.442  -8.314   5.646
  108    HD2  TYR  15           HD2      TYR  15  -1.909  -4.594   3.553
  109    HE1  TYR  15           HE1      TYR  15  -3.408  -9.236   4.449
  110    HE2  TYR  15           HE2      TYR  15  -3.874  -5.513   2.355
  111    HH   TYR  15           HH       TYR  15  -5.588  -8.007   3.281
  112    H    GLN  16           H        GLN  16   1.127  -3.678   4.920
  113    HA   GLN  16           HA       GLN  16   3.899  -3.351   5.180
  114   1HB   GLN  16          1HB       GLN  16   2.318  -1.489   4.708
  115   2HB   GLN  16          2HB       GLN  16   1.730  -1.598   6.364
  116   1HG   GLN  16          1HG       GLN  16   3.419   0.194   6.127
  117   2HG   GLN  16          2HG       GLN  16   3.978  -1.075   7.213
  118   2HE2  GLN  16          2HE2      GLN  16   5.610  -2.612   6.349
  119   1HE2  GLN  16          1HE2      GLN  16   6.580  -2.166   5.030
  120    H    LYS  17           H        LYS  17   1.396  -3.826   7.625
  121    HA   LYS  17           HA       LYS  17   1.504  -4.464   9.828
  122   1HB   LYS  17          1HB       LYS  17   3.261  -6.087   8.649
  123   2HB   LYS  17          2HB       LYS  17   4.391  -5.176   9.650
  124   1HG   LYS  17          1HG       LYS  17   2.669  -5.617  11.564
  125   2HG   LYS  17          2HG       LYS  17   2.081  -6.902  10.508
  126   1HD   LYS  17          1HD       LYS  17   4.723  -7.408  10.362
  127   2HD   LYS  17          2HD       LYS  17   4.663  -6.685  11.970
  128   1HE   LYS  17          1HE       LYS  17   4.170  -8.845  12.571
  129   2HE   LYS  17          2HE       LYS  17   2.536  -8.323  12.165
  130   1HZ   LYS  17          1HZ       LYS  17   4.384  -9.560  10.205
  131   2HZ   LYS  17          2HZ       LYS  17   3.259 -10.450  11.114
  132   3HZ   LYS  17          3HZ       LYS  17   2.720  -9.270  10.021
  133    H    ARG  18           H        ARG  18   2.584  -1.754   8.805
  134    HA   ARG  18           HA       ARG  18   3.196  -0.696  11.366
  135   1HB   ARG  18          1HB       ARG  18   5.493   0.101  10.904
  136   2HB   ARG  18          2HB       ARG  18   5.408  -1.658  10.976
  137   1HG   ARG  18          1HG       ARG  18   5.449  -1.834   8.574
  138   2HG   ARG  18          2HG       ARG  18   5.258  -0.091   8.389
  139   1HD   ARG  18          1HD       ARG  18   7.441   0.356   9.090
  140   2HD   ARG  18          2HD       ARG  18   7.586  -1.176   9.943
  141    HE   ARG  18           HE       ARG  18   8.273  -0.703   7.222
  142   1HH1  ARG  18          1HH1      ARG  18   6.811  -3.097   9.317
  143   2HH1  ARG  18          2HH1      ARG  18   7.268  -4.424   8.307
  144   1HH2  ARG  18          1HH2      ARG  18   8.850  -2.463   5.935
  145   2HH2  ARG  18          2HH2      ARG  18   8.413  -4.071   6.409
  146    HA   PRO  19           HA       PRO  19   1.792   2.782   9.017
  147   1HB   PRO  19          1HB       PRO  19   2.123   4.737  10.894
  148   2HB   PRO  19          2HB       PRO  19   0.836   3.526  10.948
  149   1HG   PRO  19          1HG       PRO  19   3.253   3.755  12.617
  150   2HG   PRO  19          2HG       PRO  19   1.727   2.925  12.952
  151   1HD   PRO  19          1HD       PRO  19   4.192   1.738  12.106
  152   2HD   PRO  19          2HD       PRO  19   2.622   0.930  12.323
  153    H    LEU  20           H        LEU  20   2.696   3.970   7.463
  154    HA   LEU  20           HA       LEU  20   5.444   4.992   7.867
  155   1HB   LEU  20          1HB       LEU  20   4.340   4.969   5.130
  156   2HB   LEU  20          2HB       LEU  20   5.941   4.557   5.699
  157    HG   LEU  20           HG       LEU  20   3.488   2.787   5.685
  158   1HD1  LEU  20          1HD1      LEU  20   5.227   3.310   3.666
  159   2HD1  LEU  20          2HD1      LEU  20   6.077   1.989   4.470
  160   3HD1  LEU  20          3HD1      LEU  20   4.433   1.750   3.879
  161   1HD2  LEU  20          1HD2      LEU  20   6.086   2.606   7.146
  162   2HD2  LEU  20          2HD2      LEU  20   4.494   2.009   7.610
  163   3HD2  LEU  20          3HD2      LEU  20   5.454   1.126   6.426
  164    HA   PRO  21           HA       PRO  21   3.822   9.083   7.389
  165   1HB   PRO  21          1HB       PRO  21   6.007  10.406   6.408
  166   2HB   PRO  21          2HB       PRO  21   5.868   9.842   8.083
  167   1HG   PRO  21          1HG       PRO  21   7.512   8.762   5.876
  168   2HG   PRO  21          2HG       PRO  21   7.753   8.642   7.624
  169   1HD   PRO  21          1HD       PRO  21   6.701   6.626   5.904
  170   2HD   PRO  21          2HD       PRO  21   6.761   6.587   7.682
  171    H    GLN  22           H        GLN  22   2.685  10.270   5.915
  172    HA   GLN  22           HA       GLN  22   2.584   9.399   3.182
  173   1HB   GLN  22          1HB       GLN  22   0.656  10.341   4.590
  174   2HB   GLN  22          2HB       GLN  22   1.343  11.929   4.249
  175   1HG   GLN  22          1HG       GLN  22   1.035  10.148   1.898
  176   2HG   GLN  22          2HG       GLN  22  -0.469  10.700   2.633
  177   2HE2  GLN  22          2HE2      GLN  22  -0.197  13.251   3.297
  178   1HE2  GLN  22          1HE2      GLN  22   0.381  14.214   2.025
  179    H    VAL  23           H        VAL  23   4.690  11.485   4.791
  180    HA   VAL  23           HA       VAL  23   5.019  13.638   3.074
  181    HB   VAL  23           HB       VAL  23   6.107  13.437   5.281
  182   1HG1  VAL  23          1HG1      VAL  23   6.764  10.944   4.669
  183   2HG1  VAL  23          2HG1      VAL  23   8.239  11.709   4.084
  184   3HG1  VAL  23          3HG1      VAL  23   7.761  11.891   5.771
  185   1HG2  VAL  23          1HG2      VAL  23   7.014  14.862   3.295
  186   2HG2  VAL  23          2HG2      VAL  23   8.042  14.627   4.707
  187   3HG2  VAL  23          3HG2      VAL  23   8.314  13.671   3.250
  188    H    LEU  24           H        LEU  24   6.302  10.373   2.841
  189    HA   LEU  24           HA       LEU  24   7.667  11.058   0.334
  190   1HB   LEU  24          1HB       LEU  24   9.049   9.300   0.692
  191   2HB   LEU  24          2HB       LEU  24   8.565   9.555   2.350
  192    HG   LEU  24           HG       LEU  24   7.309   7.498   0.509
  193   1HD1  LEU  24          1HD1      LEU  24   9.493   7.257   2.585
  194   2HD1  LEU  24          2HD1      LEU  24   8.621   5.880   1.912
  195   3HD1  LEU  24          3HD1      LEU  24   9.611   6.895   0.862
  196   1HD2  LEU  24          1HD2      LEU  24   6.726   8.493   3.204
  197   2HD2  LEU  24          2HD2      LEU  24   5.739   7.489   2.145
  198   3HD2  LEU  24          3HD2      LEU  24   6.963   6.748   3.167
  199    H    LEU  25           H        LEU  25   4.992   9.245   1.631
  200    HA   LEU  25           HA       LEU  25   4.415   7.571  -0.514
  201   1HB   LEU  25          1HB       LEU  25   3.291   7.935   1.881
  202   2HB   LEU  25          2HB       LEU  25   2.132   8.807   0.904
  203    HG   LEU  25           HG       LEU  25   1.625   6.821  -0.377
  204   1HD1  LEU  25          1HD1      LEU  25   4.099   5.829   0.959
  205   2HD1  LEU  25          2HD1      LEU  25   2.818   4.654   0.667
  206   3HD1  LEU  25          3HD1      LEU  25   3.519   5.547  -0.682
  207   1HD2  LEU  25          1HD2      LEU  25   1.587   6.737   2.602
  208   2HD2  LEU  25          2HD2      LEU  25   0.244   6.695   1.458
  209   3HD2  LEU  25          3HD2      LEU  25   1.193   5.239   1.758
  210    H    SER  26           H        SER  26   3.179   7.697  -2.307
  211    HA   SER  26           HA       SER  26   2.627  10.433  -3.281
  212   1HB   SER  26          1HB       SER  26   4.164   8.598  -4.487
  213   2HB   SER  26          2HB       SER  26   2.605   8.125  -5.154
  214    HG   SER  26           HG       SER  26   2.597   9.884  -6.306
  215    H    SER  27           H        SER  27   1.330   7.169  -3.953
  216    HA   SER  27           HA       SER  27  -1.374   8.084  -3.321
  217   1HB   SER  27          1HB       SER  27  -1.149   6.772  -5.967
  218   2HB   SER  27          2HB       SER  27  -2.267   8.014  -5.418
  219    HG   SER  27           HG       SER  27  -0.849   8.966  -6.837
  220    H    TRP  28           H        TRP  28  -2.797   6.009  -4.437
  221    HA   TRP  28           HA       TRP  28  -1.553   3.480  -3.681
  222   1HB   TRP  28          1HB       TRP  28  -3.453   2.938  -2.120
  223   2HB   TRP  28          2HB       TRP  28  -2.357   4.178  -1.514
  224    HD1  TRP  28           HD1      TRP  28  -3.209   6.705  -1.537
  225    HE1  TRP  28           HE1      TRP  28  -5.581   7.715  -1.579
  226    HE3  TRP  28           HE3      TRP  28  -5.894   2.600  -2.981
  227    HZ2  TRP  28           HZ2      TRP  28  -8.258   6.888  -2.156
  228    HZ3  TRP  28           HZ3      TRP  28  -8.347   2.745  -3.271
  229    HH2  TRP  28           HH2      TRP  28  -9.533   4.881  -2.858
  230    H    TYR  29           H        TYR  29  -2.503   1.735  -4.684
  231    HA   TYR  29           HA       TYR  29  -4.944   2.310  -6.247
  232   1HB   TYR  29          1HB       TYR  29  -4.117   1.083  -8.127
  233   2HB   TYR  29          2HB       TYR  29  -2.868   2.234  -7.671
  234    HD1  TYR  29           HD1      TYR  29  -0.891   1.405  -6.266
  235    HD2  TYR  29           HD2      TYR  29  -3.702  -1.244  -8.148
  236    HE1  TYR  29           HE1      TYR  29   0.727  -0.461  -6.063
  237    HE2  TYR  29           HE2      TYR  29  -2.082  -3.109  -7.942
  238    HH   TYR  29           HH       TYR  29   0.900  -2.926  -7.646
  239    HA   PRO  30           HA       PRO  30  -6.386  -1.357  -4.197
  240   1HB   PRO  30          1HB       PRO  30  -8.730  -1.684  -5.559
  241   2HB   PRO  30          2HB       PRO  30  -8.476  -0.441  -4.326
  242   1HG   PRO  30          1HG       PRO  30  -8.660  -0.160  -7.263
  243   2HG   PRO  30          2HG       PRO  30  -8.984   1.029  -5.993
  244   1HD   PRO  30          1HD       PRO  30  -6.639   0.848  -7.603
  245   2HD   PRO  30          2HD       PRO  30  -6.892   1.911  -6.199
  246    H    THR  31           H        THR  31  -6.432  -3.576  -4.449
  247    HA   THR  31           HA       THR  31  -5.629  -4.590  -7.098
  248    HB   THR  31           HB       THR  31  -4.084  -5.163  -5.330
  249    HG1  THR  31           HG1      THR  31  -5.547  -7.538  -5.640
  250   1HG2  THR  31          1HG2      THR  31  -6.608  -5.830  -3.889
  251   2HG2  THR  31          2HG2      THR  31  -5.180  -6.797  -3.523
  252   3HG2  THR  31          3HG2      THR  31  -5.145  -5.049  -3.290
  253    H    SER  32           H        SER  32  -6.360  -6.983  -7.376
  254    HA   SER  32           HA       SER  32  -9.165  -6.977  -7.740
  255   1HB   SER  32          1HB       SER  32  -7.751  -9.588  -7.594
  256   2HB   SER  32          2HB       SER  32  -8.877  -8.982  -8.805
  257    HG   SER  32           HG       SER  32  -7.210  -7.634  -9.571
  258    H    GLN  33           H        GLN  33 -10.813  -7.672  -6.502
  259    HA   GLN  33           HA       GLN  33 -10.172  -8.584  -3.790
  260   1HB   GLN  33          1HB       GLN  33 -12.583  -8.080  -3.359
  261   2HB   GLN  33          2HB       GLN  33 -11.647  -6.680  -3.868
  262   1HG   GLN  33          1HG       GLN  33 -12.737  -6.515  -5.874
  263   2HG   GLN  33          2HG       GLN  33 -12.913  -8.262  -6.038
  264   2HE2  GLN  33          2HE2      GLN  33 -14.299  -5.404  -4.406
  265   1HE2  GLN  33          1HE2      GLN  33 -15.803  -6.120  -4.081
  266    H    LEU  34           H        LEU  34 -10.053 -10.347  -6.187
  267    HA   LEU  34           HA       LEU  34 -12.119 -12.307  -5.384
  268   1HB   LEU  34          1HB       LEU  34 -10.731 -12.243  -8.054
  269   2HB   LEU  34          2HB       LEU  34 -12.132 -13.183  -7.596
  270    HG   LEU  34           HG       LEU  34 -12.933 -11.456  -9.004
  271   1HD1  LEU  34          1HD1      LEU  34 -14.028 -11.792  -6.639
  272   2HD1  LEU  34          2HD1      LEU  34 -13.410 -10.169  -6.332
  273   3HD1  LEU  34          3HD1      LEU  34 -14.545 -10.447  -7.653
  274   1HD2  LEU  34          1HD2      LEU  34 -10.722 -10.091  -8.492
  275   2HD2  LEU  34          2HD2      LEU  34 -12.180  -9.257  -9.032
  276   3HD2  LEU  34          3HD2      LEU  34 -11.755  -9.273  -7.320
  277    H    CYS  35           H        CYS  35  -9.608 -11.969  -4.078
  278    HA   CYS  35           HA       CYS  35  -8.094 -14.342  -4.969
  279   1HB   CYS  35          1HB       CYS  35  -7.330 -11.916  -3.363
  280   2HB   CYS  35          2HB       CYS  35  -6.362 -13.389  -3.305
  281    H    SER  36           H        SER  36  -8.512 -12.766  -1.818
  282    HA   SER  36           HA       SER  36 -10.020 -14.844  -0.623
  283   1HB   SER  36          1HB       SER  36  -7.582 -15.819  -1.027
  284   2HB   SER  36          2HB       SER  36  -7.233 -14.914   0.443
  285    HG   SER  36           HG       SER  36  -8.057 -17.193   0.596
  286    H    LYS  37           H        LYS  37  -7.522 -12.395  -0.124
  287    HA   LYS  37           HA       LYS  37  -9.189 -10.894   1.657
  288   1HB   LYS  37          1HB       LYS  37  -7.719 -11.064   3.653
  289   2HB   LYS  37          2HB       LYS  37  -8.512 -12.592   3.268
  290   1HG   LYS  37          1HG       LYS  37  -6.555 -13.617   2.682
  291   2HG   LYS  37          2HG       LYS  37  -5.880 -12.150   1.973
  292   1HD   LYS  37          1HD       LYS  37  -5.305 -11.270   4.134
  293   2HD   LYS  37          2HD       LYS  37  -6.213 -12.539   4.956
  294   1HE   LYS  37          1HE       LYS  37  -3.784 -13.007   3.203
  295   2HE   LYS  37          2HE       LYS  37  -3.764 -12.982   4.966
  296   1HZ   LYS  37          1HZ       LYS  37  -5.546 -14.754   4.811
  297   2HZ   LYS  37          2HZ       LYS  37  -5.112 -14.911   3.176
  298   3HZ   LYS  37          3HZ       LYS  37  -3.968 -15.221   4.390
  299    HA   PRO  38           HA       PRO  38  -5.592  -8.686  -0.335
  300   1HB   PRO  38          1HB       PRO  38  -6.970  -7.310  -2.249
  301   2HB   PRO  38          2HB       PRO  38  -6.290  -8.926  -2.499
  302   1HG   PRO  38          1HG       PRO  38  -9.110  -8.112  -2.153
  303   2HG   PRO  38          2HG       PRO  38  -8.439  -9.542  -2.949
  304   1HD   PRO  38          1HD       PRO  38  -9.589  -9.420  -0.342
  305   2HD   PRO  38          2HD       PRO  38  -8.746 -10.802  -1.077
  306    H    GLY  39           H        GLY  39  -5.827  -6.120  -1.122
  307   1HA   GLY  39          1HA       GLY  39  -5.951  -4.567   1.126
  308   2HA   GLY  39          2HA       GLY  39  -7.607  -4.558   0.520
  309    H    VAL  40           H        VAL  40  -4.608  -3.078   0.340
  310    HA   VAL  40           HA       VAL  40  -4.877  -2.140  -2.408
  311    HB   VAL  40           HB       VAL  40  -4.955  -0.148  -0.131
  312   1HG1  VAL  40          1HG1      VAL  40  -4.013   0.216  -2.637
  313   2HG1  VAL  40          2HG1      VAL  40  -5.726   0.521  -2.916
  314   3HG1  VAL  40          3HG1      VAL  40  -4.841   1.478  -1.729
  315   1HG2  VAL  40          1HG2      VAL  40  -7.142  -1.225  -1.925
  316   2HG2  VAL  40          2HG2      VAL  40  -7.090  -1.256  -0.163
  317   3HG2  VAL  40          3HG2      VAL  40  -7.294   0.275  -1.013
  318    H    ILE  41           H        ILE  41  -2.984  -1.524  -3.270
  319    HA   ILE  41           HA       ILE  41  -0.612  -1.725  -1.551
  320    HB   ILE  41           HB       ILE  41  -1.021  -1.917  -4.540
  321   1HG1  ILE  41          1HG1      ILE  41   0.151  -4.142  -4.043
  322   2HG1  ILE  41          2HG1      ILE  41  -0.127  -3.777  -2.339
  323   1HG2  ILE  41          1HG2      ILE  41   1.072  -0.648  -4.118
  324   2HG2  ILE  41          2HG2      ILE  41   1.618  -1.929  -3.035
  325   3HG2  ILE  41          3HG2      ILE  41   1.412  -2.257  -4.755
  326   1HD1  ILE  41          1HD1      ILE  41  -2.402  -3.630  -4.303
  327   2HD1  ILE  41          2HD1      ILE  41  -1.911  -5.184  -3.630
  328   3HD1  ILE  41          3HD1      ILE  41  -2.457  -3.893  -2.560
  329    H    PHE  42           H        PHE  42   0.568   0.004  -1.043
  330    HA   PHE  42           HA       PHE  42  -0.257   2.611  -2.096
  331   1HB   PHE  42          1HB       PHE  42   1.285   1.682   0.298
  332   2HB   PHE  42          2HB       PHE  42   1.532   3.326  -0.293
  333    HD1  PHE  42           HD1      PHE  42  -1.002   0.928   0.974
  334    HD2  PHE  42           HD2      PHE  42  -0.145   5.015  -0.033
  335    HE1  PHE  42           HE1      PHE  42  -3.110   1.642   2.069
  336    HE2  PHE  42           HE2      PHE  42  -2.251   5.728   1.062
  337    HZ   PHE  42           HZ       PHE  42  -3.733   4.042   2.115
  338    H    LEU  43           H        LEU  43   0.884   3.704  -3.552
  339    HA   LEU  43           HA       LEU  43   3.559   2.691  -4.285
  340   1HB   LEU  43          1HB       LEU  43   1.849   4.622  -5.839
  341   2HB   LEU  43          2HB       LEU  43   3.264   3.760  -6.400
  342    HG   LEU  43           HG       LEU  43   0.744   2.322  -5.573
  343   1HD1  LEU  43          1HD1      LEU  43   0.507   4.109  -7.464
  344   2HD1  LEU  43          2HD1      LEU  43   1.451   2.972  -8.427
  345   3HD1  LEU  43          3HD1      LEU  43  -0.105   2.481  -7.755
  346   1HD2  LEU  43          1HD2      LEU  43   3.343   1.661  -6.871
  347   2HD2  LEU  43          2HD2      LEU  43   2.340   0.683  -5.800
  348   3HD2  LEU  43          3HD2      LEU  43   1.913   0.845  -7.504
  349    H    THR  44           H        THR  44   4.966   3.733  -2.929
  350    HA   THR  44           HA       THR  44   4.669   6.406  -2.048
  351    HB   THR  44           HB       THR  44   7.068   6.232  -1.425
  352    HG1  THR  44           HG1      THR  44   7.493   4.829  -3.348
  353   1HG2  THR  44          1HG2      THR  44   5.006   4.225  -0.724
  354   2HG2  THR  44          2HG2      THR  44   6.656   3.841  -0.237
  355   3HG2  THR  44          3HG2      THR  44   5.900   5.336   0.314
  356    H    LYS  45           H        LYS  45   6.295   8.153  -2.563
  357    HA   LYS  45           HA       LYS  45   6.080   8.896  -5.271
  358   1HB   LYS  45          1HB       LYS  45   7.724   9.920  -2.971
  359   2HB   LYS  45          2HB       LYS  45   7.940  10.578  -4.593
  360   1HG   LYS  45          1HG       LYS  45   5.836  11.529  -4.642
  361   2HG   LYS  45          2HG       LYS  45   5.149  10.316  -3.563
  362   1HD   LYS  45          1HD       LYS  45   5.280  11.953  -1.990
  363   2HD   LYS  45          2HD       LYS  45   6.985  11.508  -1.915
  364   1HE   LYS  45          1HE       LYS  45   7.249  13.189  -3.903
  365   2HE   LYS  45          2HE       LYS  45   5.701  13.822  -3.345
  366   1HZ   LYS  45          1HZ       LYS  45   8.128  13.496  -1.665
  367   2HZ   LYS  45          2HZ       LYS  45   7.571  14.964  -2.312
  368   3HZ   LYS  45          3HZ       LYS  45   6.644  14.137  -1.154
  369    H    ARG  46           H        ARG  46   8.966   7.889  -3.433
  370    HA   ARG  46           HA       ARG  46  10.125   6.909  -5.972
  371   1HB   ARG  46          1HB       ARG  46  11.151   9.070  -5.182
  372   2HB   ARG  46          2HB       ARG  46  11.706   8.199  -3.752
  373   1HG   ARG  46          1HG       ARG  46  13.188   6.870  -4.967
  374   2HG   ARG  46          2HG       ARG  46  12.296   7.080  -6.475
  375   1HD   ARG  46          1HD       ARG  46  12.971   9.641  -6.034
  376   2HD   ARG  46          2HD       ARG  46  14.309   8.863  -5.197
  377    HE   ARG  46           HE       ARG  46  14.224   7.567  -7.597
  378   1HH1  ARG  46          1HH1      ARG  46  14.355  10.939  -6.669
  379   2HH1  ARG  46          2HH1      ARG  46  15.218  11.414  -8.091
  380   1HH2  ARG  46          1HH2      ARG  46  15.349   8.228  -9.437
  381   2HH2  ARG  46          2HH2      ARG  46  15.777   9.894  -9.646
  382    H    GLY  47           H        GLY  47   9.040   5.981  -2.971
  383   1HA   GLY  47          1HA       GLY  47   9.540   4.260  -1.520
  384   2HA   GLY  47          2HA       GLY  47  11.155   4.197  -2.214
  385    H    ARG  48           H        ARG  48   8.249   2.610  -1.914
  386    HA   ARG  48           HA       ARG  48   8.352   1.170  -4.446
  387   1HB   ARG  48          1HB       ARG  48   9.500   0.107  -1.939
  388   2HB   ARG  48          2HB       ARG  48   8.405  -0.992  -2.775
  389   1HG   ARG  48          1HG       ARG  48   9.694  -0.815  -4.821
  390   2HG   ARG  48          2HG       ARG  48  10.717   0.439  -4.116
  391   1HD   ARG  48          1HD       ARG  48  11.792  -1.813  -4.089
  392   2HD   ARG  48          2HD       ARG  48  11.595  -1.126  -2.479
  393    HE   ARG  48           HE       ARG  48   9.376  -2.794  -3.223
  394   1HH1  ARG  48          1HH1      ARG  48  12.656  -2.829  -1.999
  395   2HH1  ARG  48          2HH1      ARG  48  12.458  -4.344  -1.190
  396   1HH2  ARG  48          1HH2      ARG  48   9.162  -4.768  -2.153
  397   2HH2  ARG  48          2HH2      ARG  48  10.498  -5.434  -1.275
  398    H    GLN  49           H        GLN  49   6.835  -0.965  -3.963
  399    HA   GLN  49           HA       GLN  49   4.241   0.176  -3.383
  400   1HB   GLN  49          1HB       GLN  49   5.160  -2.567  -4.260
  401   2HB   GLN  49          2HB       GLN  49   3.474  -2.175  -3.939
  402   1HG   GLN  49          1HG       GLN  49   3.447  -1.604  -6.150
  403   2HG   GLN  49          2HG       GLN  49   4.155  -0.100  -5.563
  404   2HE2  GLN  49          2HE2      GLN  49   5.740   0.419  -7.095
  405   1HE2  GLN  49          1HE2      GLN  49   6.945  -0.651  -7.628
  406    H    VAL  50           H        VAL  50   2.744  -0.782  -1.843
  407    HA   VAL  50           HA       VAL  50   3.859  -2.478   0.253
  408    HB   VAL  50           HB       VAL  50   2.812   0.287   0.910
  409   1HG1  VAL  50          1HG1      VAL  50   2.415  -1.643   2.554
  410   2HG1  VAL  50          2HG1      VAL  50   4.167  -1.703   2.741
  411   3HG1  VAL  50          3HG1      VAL  50   3.282  -0.245   3.186
  412   1HG2  VAL  50          1HG2      VAL  50   5.609  -0.876   0.914
  413   2HG2  VAL  50          2HG2      VAL  50   5.026   0.491  -0.035
  414   3HG2  VAL  50          3HG2      VAL  50   5.177   0.634   1.717
  415    H    CYS  51           H        CYS  51   2.349  -3.945   0.629
  416    HA   CYS  51           HA       CYS  51  -0.419  -3.545  -0.070
  417   1HB   CYS  51          1HB       CYS  51   1.231  -5.765   1.033
  418   2HB   CYS  51          2HB       CYS  51  -0.488  -5.794   1.420
  419    H    ALA  52           H        ALA  52  -1.819  -2.443   1.161
  420    HA   ALA  52           HA       ALA  52  -1.504  -2.601   4.099
  421   1HB   ALA  52          1HB       ALA  52  -0.674  -0.412   3.210
  422   2HB   ALA  52          2HB       ALA  52  -2.297  -0.102   2.594
  423   3HB   ALA  52          3HB       ALA  52  -2.027  -0.260   4.330
  424    H    ASP  53           H        ASP  53  -3.289  -3.102   5.172
  425    HA   ASP  53           HA       ASP  53  -5.765  -3.515   3.704
  426   1HB   ASP  53          1HB       ASP  53  -4.711  -4.264   6.388
  427   2HB   ASP  53          2HB       ASP  53  -6.460  -4.116   6.221
  428    H    LYS  54           H        LYS  54  -7.404  -2.123   3.628
  429    HA   LYS  54           HA       LYS  54  -7.257   0.484   4.659
  430   1HB   LYS  54          1HB       LYS  54  -9.765  -1.030   3.892
  431   2HB   LYS  54          2HB       LYS  54  -9.585   0.721   3.984
  432   1HG   LYS  54          1HG       LYS  54  -8.457   0.845   2.002
  433   2HG   LYS  54          2HG       LYS  54  -7.600  -0.672   2.277
  434   1HD   LYS  54          1HD       LYS  54 -10.549  -0.808   1.816
  435   2HD   LYS  54          2HD       LYS  54  -9.514  -0.476   0.426
  436   1HE   LYS  54          1HE       LYS  54  -8.448  -2.536   0.553
  437   2HE   LYS  54          2HE       LYS  54  -8.762  -2.708   2.280
  438   1HZ   LYS  54          1HZ       LYS  54 -11.106  -3.038   1.778
  439   2HZ   LYS  54          2HZ       LYS  54 -10.789  -2.898   0.117
  440   3HZ   LYS  54          3HZ       LYS  54 -10.146  -4.202   0.997
  441    H    SER  55           H        SER  55  -8.451  -2.475   6.069
  442    HA   SER  55           HA       SER  55 -10.156  -1.507   8.053
  443   1HB   SER  55          1HB       SER  55  -9.228  -3.973   7.384
  444   2HB   SER  55          2HB       SER  55  -8.365  -3.693   8.892
  445    HG   SER  55           HG       SER  55 -10.273  -4.477   9.549
  446    H    LYS  56           H        LYS  56  -6.680  -1.370   7.822
  447    HA   LYS  56           HA       LYS  56  -6.018  -0.961  10.526
  448   1HB   LYS  56          1HB       LYS  56  -4.676   0.249   8.096
  449   2HB   LYS  56          2HB       LYS  56  -3.964   0.063   9.700
  450   1HG   LYS  56          1HG       LYS  56  -5.084  -2.395   8.452
  451   2HG   LYS  56          2HG       LYS  56  -3.603  -1.752   7.741
  452   1HD   LYS  56          1HD       LYS  56  -2.857  -3.235   9.437
  453   2HD   LYS  56          2HD       LYS  56  -2.704  -1.628  10.150
  454   1HE   LYS  56          1HE       LYS  56  -4.567  -1.915  11.529
  455   2HE   LYS  56          2HE       LYS  56  -5.259  -3.170  10.500
  456   1HZ   LYS  56          1HZ       LYS  56  -2.786  -3.463  12.118
  457   2HZ   LYS  56          2HZ       LYS  56  -4.314  -4.067  12.552
  458   3HZ   LYS  56          3HZ       LYS  56  -3.517  -4.671  11.178
  459    H    ASP  57           H        ASP  57  -4.825   1.375  10.929
  460    HA   ASP  57           HA       ASP  57  -7.039   3.325  10.745
  461   1HB   ASP  57          1HB       ASP  57  -4.889   2.871  12.799
  462   2HB   ASP  57          2HB       ASP  57  -5.701   4.431  12.672
  463    H    TRP  58           H        TRP  58  -3.479   3.118  10.723
  464    HA   TRP  58           HA       TRP  58  -3.097   5.781   9.819
  465   1HB   TRP  58          1HB       TRP  58  -0.791   5.079   9.290
  466   2HB   TRP  58          2HB       TRP  58  -1.281   4.586  10.907
  467    HD1  TRP  58           HD1      TRP  58  -1.748   1.988  11.321
  468    HE1  TRP  58           HE1      TRP  58  -0.917  -0.105  10.067
  469    HE3  TRP  58           HE3      TRP  58  -0.211   4.127   6.954
  470    HZ2  TRP  58           HZ2      TRP  58   0.249  -0.785   7.529
  471    HZ3  TRP  58           HZ3      TRP  58   0.758   2.745   5.143
  472    HH2  TRP  58           HH2      TRP  58   0.987   0.297   5.425
  473    H    VAL  59           H        VAL  59  -3.769   2.780   8.177
  474    HA   VAL  59           HA       VAL  59  -2.988   3.668   5.566
  475    HB   VAL  59           HB       VAL  59  -4.938   1.479   6.327
  476   1HG1  VAL  59          1HG1      VAL  59  -3.730   2.441   3.786
  477   2HG1  VAL  59          2HG1      VAL  59  -3.757   0.693   4.019
  478   3HG1  VAL  59          3HG1      VAL  59  -5.261   1.611   4.059
  479   1HG2  VAL  59          1HG2      VAL  59  -1.946   1.411   5.818
  480   2HG2  VAL  59          2HG2      VAL  59  -2.732   1.165   7.377
  481   3HG2  VAL  59          3HG2      VAL  59  -2.966  -0.004   6.077
  482    H    LYS  60           H        LYS  60  -5.901   3.802   7.507
  483    HA   LYS  60           HA       LYS  60  -7.703   4.577   5.452
  484   1HB   LYS  60          1HB       LYS  60  -8.226   3.778   7.858
  485   2HB   LYS  60          2HB       LYS  60  -7.957   5.459   8.320
  486   1HG   LYS  60          1HG       LYS  60  -9.599   6.020   6.381
  487   2HG   LYS  60          2HG       LYS  60 -10.071   4.325   6.496
  488   1HD   LYS  60          1HD       LYS  60 -10.676   4.591   8.831
  489   2HD   LYS  60          2HD       LYS  60 -10.052   6.242   8.844
  490   1HE   LYS  60          1HE       LYS  60 -12.349   6.587   8.542
  491   2HE   LYS  60          2HE       LYS  60 -11.744   6.625   6.886
  492   1HZ   LYS  60          1HZ       LYS  60 -12.644   4.100   8.117
  493   2HZ   LYS  60          2HZ       LYS  60 -13.757   5.162   7.405
  494   3HZ   LYS  60          3HZ       LYS  60 -12.507   4.491   6.470
  495    H    LYS  61           H        LYS  61  -5.662   6.384   7.711
  496    HA   LYS  61           HA       LYS  61  -6.555   8.977   7.056
  497   1HB   LYS  61          1HB       LYS  61  -4.099   7.840   8.310
  498   2HB   LYS  61          2HB       LYS  61  -4.034   9.507   7.737
  499   1HG   LYS  61          1HG       LYS  61  -6.398   9.613   8.997
  500   2HG   LYS  61          2HG       LYS  61  -5.653   8.325   9.942
  501   1HD   LYS  61          1HD       LYS  61  -4.311  10.984   9.387
  502   2HD   LYS  61          2HD       LYS  61  -5.236  10.642  10.850
  503   1HE   LYS  61          1HE       LYS  61  -2.883   8.975   9.923
  504   2HE   LYS  61          2HE       LYS  61  -2.755  10.279  11.104
  505   1HZ   LYS  61          1HZ       LYS  61  -4.668   9.006  12.260
  506   2HZ   LYS  61          2HZ       LYS  61  -4.119   7.685  11.343
  507   3HZ   LYS  61          3HZ       LYS  61  -3.071   8.452  12.434
  508    H    LEU  62           H        LEU  62  -3.938   6.991   5.703
  509    HA   LEU  62           HA       LEU  62  -2.910   8.896   3.898
  510   1HB   LEU  62          1HB       LEU  62  -3.041   5.897   3.633
  511   2HB   LEU  62          2HB       LEU  62  -2.082   6.950   2.618
  512    HG   LEU  62           HG       LEU  62  -1.658   7.003   5.582
  513   1HD1  LEU  62          1HD1      LEU  62  -1.090   4.766   3.705
  514   2HD1  LEU  62          2HD1      LEU  62   0.218   5.229   4.793
  515   3HD1  LEU  62          3HD1      LEU  62  -1.342   4.738   5.449
  516   1HD2  LEU  62          1HD2      LEU  62  -0.239   7.763   3.079
  517   2HD2  LEU  62          2HD2      LEU  62  -0.247   8.560   4.652
  518   3HD2  LEU  62          3HD2      LEU  62   0.766   7.141   4.387
  519    H    MET  63           H        MET  63  -5.433   6.454   3.562
  520    HA   MET  63           HA       MET  63  -6.058   6.688   0.868
  521   1HB   MET  63          1HB       MET  63  -7.783   6.130   3.274
  522   2HB   MET  63          2HB       MET  63  -8.451   6.154   1.642
  523   1HG   MET  63          1HG       MET  63  -6.317   4.587   1.186
  524   2HG   MET  63          2HG       MET  63  -6.563   4.215   2.890
  525   1HE   MET  63          1HE       MET  63  -7.048   3.635  -0.408
  526   2HE   MET  63          2HE       MET  63  -7.249   1.965   0.113
  527   3HE   MET  63          3HE       MET  63  -8.560   2.795  -0.736
  528    H    GLN  64           H        GLN  64  -7.025   8.738   3.564
  529    HA   GLN  64           HA       GLN  64  -8.728  10.405   1.903
  530   1HB   GLN  64          1HB       GLN  64  -7.770  10.756   4.755
  531   2HB   GLN  64          2HB       GLN  64  -8.955  11.785   3.951
  532   1HG   GLN  64          1HG       GLN  64 -10.417   9.824   3.594
  533   2HG   GLN  64          2HG       GLN  64  -9.237   8.802   4.418
  534   2HE2  GLN  64          2HE2      GLN  64 -11.900  10.954   4.902
  535   1HE2  GLN  64          1HE2      GLN  64 -11.824  11.010   6.596
  536    H    GLN  65           H        GLN  65  -5.462  10.426   3.170
  537    HA   GLN  65           HA       GLN  65  -4.896  13.166   2.595
  538   1HB   GLN  65          1HB       GLN  65  -3.293  10.759   3.326
  539   2HB   GLN  65          2HB       GLN  65  -2.452  12.144   2.635
  540   1HG   GLN  65          1HG       GLN  65  -4.419  12.838   4.726
  541   2HG   GLN  65          2HG       GLN  65  -3.061  11.870   5.296
  542   2HE2  GLN  65          2HE2      GLN  65  -3.982  15.010   4.005
  543   1HE2  GLN  65          1HE2      GLN  65  -2.459  15.738   4.186
  544    H    LEU  66           H        LEU  66  -4.522  10.132   0.836
  545    HA   LEU  66           HA       LEU  66  -3.545  11.648  -1.507
  546   1HB   LEU  66          1HB       LEU  66  -3.457   8.665  -1.250
  547   2HB   LEU  66          2HB       LEU  66  -2.501   9.704  -2.284
  548    HG   LEU  66           HG       LEU  66  -2.222   9.704   0.723
  549   1HD1  LEU  66          1HD1      LEU  66  -1.163   7.843  -1.347
  550   2HD1  LEU  66          2HD1      LEU  66  -0.028   8.392  -0.115
  551   3HD1  LEU  66          3HD1      LEU  66  -1.503   7.551   0.358
  552   1HD2  LEU  66          1HD2      LEU  66  -0.859  10.964  -1.609
  553   2HD2  LEU  66          2HD2      LEU  66  -1.102  11.589   0.023
  554   3HD2  LEU  66          3HD2      LEU  66   0.173  10.411  -0.289
  555    HA   PRO  67           HA       PRO  67  -7.432  10.679  -3.381
  556   1HB   PRO  67          1HB       PRO  67  -6.786  11.054  -6.017
  557   2HB   PRO  67          2HB       PRO  67  -7.041  12.375  -4.867
  558   1HG   PRO  67          1HG       PRO  67  -4.508  11.336  -6.005
  559   2HG   PRO  67          2HG       PRO  67  -4.900  12.960  -5.419
  560   1HD   PRO  67          1HD       PRO  67  -3.415  11.003  -4.022
  561   2HD   PRO  67          2HD       PRO  67  -4.093  12.495  -3.331
  562    H    VAL  68           H        VAL  68  -5.348   9.525  -6.014
  563    HA   VAL  68           HA       VAL  68  -5.193   6.832  -5.403
  564    HB   VAL  68           HB       VAL  68  -7.875   7.440  -5.790
  565   1HG1  VAL  68          1HG1      VAL  68  -7.254   7.650  -8.309
  566   2HG1  VAL  68          2HG1      VAL  68  -7.134   5.891  -8.258
  567   3HG1  VAL  68          3HG1      VAL  68  -8.659   6.683  -7.858
  568   1HG2  VAL  68          1HG2      VAL  68  -6.695   5.429  -4.758
  569   2HG2  VAL  68          2HG2      VAL  68  -8.209   5.099  -5.600
  570   3HG2  VAL  68          3HG2      VAL  68  -6.669   4.739  -6.380
  571    H    THR  69           H        THR  69  -4.380   5.556  -7.158
  572    HA   THR  69           HA       THR  69  -2.792   7.056  -8.977
  573    HB   THR  69           HB       THR  69  -2.086   4.890  -9.830
  574    HG1  THR  69           HG1      THR  69  -4.218   3.893  -8.255
  575   1HG2  THR  69          1HG2      THR  69  -2.445   5.173  -6.857
  576   2HG2  THR  69          2HG2      THR  69  -1.613   3.775  -7.537
  577   3HG2  THR  69          3HG2      THR  69  -0.983   5.397  -7.816
  578    H    ALA  70           H        ALA  70  -2.774   6.343 -11.377
  579    HA   ALA  70           HA       ALA  70  -5.213   5.625 -12.646
  580   1HB   ALA  70          1HB       ALA  70  -4.620   8.483 -13.232
  581   2HB   ALA  70          2HB       ALA  70  -5.471   8.126 -11.730
  582   3HB   ALA  70          3HB       ALA  70  -6.157   7.619 -13.274
  583    H    ARG  71           H        ARG  71  -2.668   8.033 -13.324
  584    HA   ARG  71           HA       ARG  71  -2.159   6.791 -15.911
  585   1HB   ARG  71          1HB       ARG  71  -0.922   9.209 -14.571
  586   2HB   ARG  71          2HB       ARG  71  -0.555   8.668 -16.209
  587   1HG   ARG  71          1HG       ARG  71  -2.830   9.031 -16.920
  588   2HG   ARG  71          2HG       ARG  71  -3.353   9.340 -15.264
  589   1HD   ARG  71          1HD       ARG  71  -2.383  11.441 -15.201
  590   2HD   ARG  71          2HD       ARG  71  -1.159  11.026 -16.397
  591    HE   ARG  71           HE       ARG  71  -2.634  11.689 -18.064
  592   1HH1  ARG  71          1HH1      ARG  71  -4.370  11.273 -15.053
  593   2HH1  ARG  71          2HH1      ARG  71  -5.838  11.944 -15.676
  594   1HH2  ARG  71          1HH2      ARG  71  -4.568  12.557 -18.835
  595   2HH2  ARG  71          2HH2      ARG  71  -5.951  12.665 -17.799

  No H/Q in entry =         595
  Start of MODEL   11
    1    H1   LEU   1           H1       LEU   1  -9.160 -28.130  -6.598
    2    H2   LEU   1           H2       LEU   1 -10.403 -29.250  -6.880
    3    H3   LEU   1           H3       LEU   1  -9.367 -29.449  -5.546
    4    HA   LEU   1           HA       LEU   1  -7.540 -30.007  -6.893
    5   1HB   LEU   1          1HB       LEU   1 -10.152 -31.298  -7.639
    6   2HB   LEU   1          2HB       LEU   1  -8.662 -31.809  -8.433
    7    HG   LEU   1           HG       LEU   1  -8.811 -31.608  -5.430
    8   1HD1  LEU   1          1HD1      LEU   1 -10.003 -33.665  -7.231
    9   2HD1  LEU   1          2HD1      LEU   1  -9.139 -34.244  -5.807
   10   3HD1  LEU   1          3HD1      LEU   1 -10.510 -33.150  -5.621
   11   1HD2  LEU   1          1HD2      LEU   1  -7.087 -32.984  -7.487
   12   2HD2  LEU   1          2HD2      LEU   1  -6.595 -31.914  -6.173
   13   3HD2  LEU   1          3HD2      LEU   1  -7.128 -33.557  -5.819
   14    H    GLY   2           H        GLY   2 -10.333 -29.046  -8.875
   15   1HA   GLY   2          1HA       GLY   2  -9.126 -28.974 -11.382
   16   2HA   GLY   2          2HA       GLY   2  -8.777 -27.425 -10.621
   17    H    ALA   3           H        ALA   3 -10.306 -25.877 -10.642
   18    HA   ALA   3           HA       ALA   3 -12.587 -26.119 -12.288
   19   1HB   ALA   3          1HB       ALA   3 -13.578 -27.436 -10.518
   20   2HB   ALA   3          2HB       ALA   3 -13.123 -26.233  -9.311
   21   3HB   ALA   3          3HB       ALA   3 -14.345 -25.848 -10.523
   22    H    SER   4           H        SER   4 -12.043 -24.170 -13.137
   23    HA   SER   4           HA       SER   4 -11.904 -21.884 -13.335
   24   1HB   SER   4          1HB       SER   4 -13.286 -21.650 -10.670
   25   2HB   SER   4          2HB       SER   4 -13.369 -20.559 -12.051
   26    HG   SER   4           HG       SER   4 -15.123 -22.265 -11.569
   27    H    TRP   5           H        TRP   5  -9.833 -21.279 -13.168
   28    HA   TRP   5           HA       TRP   5  -8.836 -20.559 -10.492
   29   1HB   TRP   5          1HB       TRP   5  -6.584 -21.449 -11.126
   30   2HB   TRP   5          2HB       TRP   5  -7.806 -22.704 -10.924
   31    HD1  TRP   5           HD1      TRP   5  -8.848 -23.774 -13.175
   32    HE1  TRP   5           HE1      TRP   5  -7.835 -24.033 -15.532
   33    HE3  TRP   5           HE3      TRP   5  -5.016 -20.412 -12.866
   34    HZ2  TRP   5           HZ2      TRP   5  -5.684 -22.957 -17.081
   35    HZ3  TRP   5           HZ3      TRP   5  -3.503 -20.049 -14.793
   36    HH2  TRP   5           HH2      TRP   5  -3.831 -21.316 -16.900
   37    H    HIS   6           H        HIS   6  -9.940 -18.986 -12.666
   38    HA   HIS   6           HA       HIS   6  -7.560 -17.340 -13.285
   39   1HB   HIS   6          1HB       HIS   6  -8.791 -18.636 -15.237
   40   2HB   HIS   6          2HB       HIS   6  -9.933 -17.298 -15.104
   41    HD1  HIS   6           HD1      HIS   6  -6.512 -18.149 -16.265
   42    HD2  HIS   6           HD2      HIS   6  -8.758 -14.694 -15.634
   43    HE1  HIS   6           HE1      HIS   6  -5.272 -16.267 -17.420
   44    H    ARG   7           H        ARG   7  -8.072 -16.186 -11.332
   45    HA   ARG   7           HA       ARG   7  -9.432 -13.795 -11.705
   46   1HB   ARG   7          1HB       ARG   7 -11.202 -15.987 -10.870
   47   2HB   ARG   7          2HB       ARG   7 -11.269 -14.592  -9.796
   48   1HG   ARG   7          1HG       ARG   7 -12.228 -13.254 -11.375
   49   2HG   ARG   7          2HG       ARG   7 -11.276 -13.949 -12.687
   50   1HD   ARG   7          1HD       ARG   7 -12.716 -15.858 -12.837
   51   2HD   ARG   7          2HD       ARG   7 -13.533 -15.440 -11.335
   52    HE   ARG   7           HE       ARG   7 -14.854 -13.948 -12.525
   53   1HH1  ARG   7          1HH1      ARG   7 -12.081 -14.862 -14.456
   54   2HH1  ARG   7          2HH1      ARG   7 -12.669 -14.074 -15.879
   55   1HH2  ARG   7          1HH2      ARG   7 -15.584 -12.933 -14.403
   56   2HH2  ARG   7          2HH2      ARG   7 -14.635 -12.991 -15.851
   57    HA   PRO   8           HA       PRO   8  -8.325 -14.169  -7.101
   58   1HB   PRO   8          1HB       PRO   8  -7.779 -16.617  -6.020
   59   2HB   PRO   8          2HB       PRO   8  -9.405 -15.922  -6.107
   60   1HG   PRO   8          1HG       PRO   8  -8.214 -18.115  -7.696
   61   2HG   PRO   8          2HG       PRO   8  -9.910 -17.797  -7.304
   62   1HD   PRO   8          1HD       PRO   8  -8.610 -17.240  -9.765
   63   2HD   PRO   8          2HD       PRO   8 -10.233 -16.705  -9.276
   64    H    ASP   9           H        ASP   9  -6.401 -13.207  -7.963
   65    HA   ASP   9           HA       ASP   9  -3.979 -14.424  -7.115
   66   1HB   ASP   9          1HB       ASP   9  -2.893 -14.594  -9.362
   67   2HB   ASP   9          2HB       ASP   9  -4.168 -15.787  -9.106
   68    H    LYS  10           H        LYS  10  -2.045 -13.140  -8.182
   69    HA   LYS  10           HA       LYS  10  -0.970 -11.119  -8.364
   70   1HB   LYS  10          1HB       LYS  10  -2.619 -11.004 -10.357
   71   2HB   LYS  10          2HB       LYS  10  -3.538  -9.894  -9.339
   72   1HG   LYS  10          1HG       LYS  10  -0.979  -8.918  -9.058
   73   2HG   LYS  10          2HG       LYS  10  -0.970  -9.478 -10.731
   74   1HD   LYS  10          1HD       LYS  10  -3.386  -8.225 -10.647
   75   2HD   LYS  10          2HD       LYS  10  -2.479  -7.248  -9.491
   76   1HE   LYS  10          1HE       LYS  10  -0.919  -6.566 -11.088
   77   2HE   LYS  10          2HE       LYS  10  -1.231  -7.954 -12.132
   78   1HZ   LYS  10          1HZ       LYS  10  -3.206  -5.802 -11.610
   79   2HZ   LYS  10          2HZ       LYS  10  -2.169  -5.826 -12.955
   80   3HZ   LYS  10          3HZ       LYS  10  -3.325  -7.051 -12.755
   81    H    CYS  11           H        CYS  11  -2.667 -11.812  -5.935
   82    HA   CYS  11           HA       CYS  11  -3.345  -9.120  -4.978
   83   1HB   CYS  11          1HB       CYS  11  -3.786 -11.846  -3.737
   84   2HB   CYS  11          2HB       CYS  11  -4.293 -10.315  -3.020
   85    H    CYS  12           H        CYS  12  -2.845  -9.103  -2.396
   86    HA   CYS  12           HA       CYS  12   0.076  -9.121  -2.285
   87   1HB   CYS  12          1HB       CYS  12  -2.097  -7.802  -0.712
   88   2HB   CYS  12          2HB       CYS  12  -0.517  -8.031   0.038
   89    H    LEU  13           H        LEU  13  -2.700 -10.529  -0.614
   90    HA   LEU  13           HA       LEU  13  -2.870 -12.311   0.838
   91   1HB   LEU  13          1HB       LEU  13  -1.191 -13.143  -1.081
   92   2HB   LEU  13          2HB       LEU  13  -0.108 -13.225   0.290
   93    HG   LEU  13           HG       LEU  13  -2.802 -14.512   0.513
   94   1HD1  LEU  13          1HD1      LEU  13  -1.415 -15.078  -1.708
   95   2HD1  LEU  13          2HD1      LEU  13  -0.540 -16.119  -0.584
   96   3HD1  LEU  13          3HD1      LEU  13  -2.277 -16.326  -0.808
   97   1HD2  LEU  13          1HD2      LEU  13  -0.034 -14.847   1.648
   98   2HD2  LEU  13          2HD2      LEU  13  -1.567 -14.663   2.502
   99   3HD2  LEU  13          3HD2      LEU  13  -1.179 -16.187   1.707
  100    H    GLY  14           H        GLY  14  -1.362  -9.724   1.529
  101   1HA   GLY  14          1HA       GLY  14   0.695 -10.186   3.358
  102   2HA   GLY  14          2HA       GLY  14  -0.826 -10.308   4.242
  103    H    TYR  15           H        TYR  15   0.851  -8.318   4.987
  104    HA   TYR  15           HA       TYR  15   0.193  -5.875   3.546
  105   1HB   TYR  15          1HB       TYR  15  -0.817  -6.348   6.358
  106   2HB   TYR  15          2HB       TYR  15  -0.860  -4.803   5.508
  107    HD1  TYR  15           HD1      TYR  15  -2.263  -4.513   3.490
  108    HD2  TYR  15           HD2      TYR  15  -2.349  -8.130   5.801
  109    HE1  TYR  15           HE1      TYR  15  -4.376  -5.171   2.375
  110    HE2  TYR  15           HE2      TYR  15  -4.464  -8.792   4.685
  111    HH   TYR  15           HH       TYR  15  -6.438  -6.845   3.191
  112    H    GLN  16           H        GLN  16   1.110  -3.939   4.677
  113    HA   GLN  16           HA       GLN  16   3.853  -4.322   5.195
  114   1HB   GLN  16          1HB       GLN  16   2.322  -2.136   4.626
  115   2HB   GLN  16          2HB       GLN  16   2.634  -1.878   6.338
  116   1HG   GLN  16          1HG       GLN  16   4.726  -2.344   4.186
  117   2HG   GLN  16          2HG       GLN  16   4.391  -0.818   4.997
  118   2HE2  GLN  16          2HE2      GLN  16   5.334  -0.470   7.068
  119   1HE2  GLN  16          1HE2      GLN  16   6.340  -1.605   7.829
  120    H    LYS  17           H        LYS  17   1.109  -3.767   7.339
  121    HA   LYS  17           HA       LYS  17   0.773  -4.491   9.517
  122   1HB   LYS  17          1HB       LYS  17   2.842  -6.093   9.025
  123   2HB   LYS  17          2HB       LYS  17   3.658  -4.957  10.099
  124   1HG   LYS  17          1HG       LYS  17   1.409  -5.323  11.523
  125   2HG   LYS  17          2HG       LYS  17   1.459  -6.877  10.690
  126   1HD   LYS  17          1HD       LYS  17   3.817  -7.170  11.457
  127   2HD   LYS  17          2HD       LYS  17   3.672  -5.670  12.375
  128   1HE   LYS  17          1HE       LYS  17   1.491  -6.901  13.312
  129   2HE   LYS  17          2HE       LYS  17   2.425  -8.334  12.884
  130   1HZ   LYS  17          1HZ       LYS  17   4.299  -7.341  14.157
  131   2HZ   LYS  17          2HZ       LYS  17   3.235  -6.133  14.701
  132   3HZ   LYS  17          3HZ       LYS  17   2.960  -7.759  15.108
  133    H    ARG  18           H        ARG  18   3.735  -2.620   8.910
  134    HA   ARG  18           HA       ARG  18   3.152  -0.994  11.289
  135   1HB   ARG  18          1HB       ARG  18   5.571  -0.834   9.479
  136   2HB   ARG  18          2HB       ARG  18   5.380  -0.109  11.074
  137   1HG   ARG  18          1HG       ARG  18   5.190  -3.094  10.626
  138   2HG   ARG  18          2HG       ARG  18   6.718  -2.288  10.989
  139   1HD   ARG  18          1HD       ARG  18   4.290  -1.862  12.720
  140   2HD   ARG  18          2HD       ARG  18   5.347  -3.247  12.971
  141    HE   ARG  18           HE       ARG  18   7.073  -1.132  12.926
  142   1HH1  ARG  18          1HH1      ARG  18   4.148  -1.834  14.716
  143   2HH1  ARG  18          2HH1      ARG  18   4.638  -0.916  16.098
  144   1HH2  ARG  18          1HH2      ARG  18   7.673   0.054  14.748
  145   2HH2  ARG  18          2HH2      ARG  18   6.616   0.145  16.118
  146    HA   PRO  19           HA       PRO  19   1.703   2.298   8.742
  147   1HB   PRO  19          1HB       PRO  19   2.174   4.442  10.367
  148   2HB   PRO  19          2HB       PRO  19   0.897   3.251  10.649
  149   1HG   PRO  19          1HG       PRO  19   3.435   3.641  12.094
  150   2HG   PRO  19          2HG       PRO  19   1.942   2.859  12.631
  151   1HD   PRO  19          1HD       PRO  19   4.338   1.578  11.725
  152   2HD   PRO  19          2HD       PRO  19   2.794   0.803  12.149
  153    H    LEU  20           H        LEU  20   2.355   3.634   7.136
  154    HA   LEU  20           HA       LEU  20   5.225   4.308   7.011
  155   1HB   LEU  20          1HB       LEU  20   3.408   4.662   4.679
  156   2HB   LEU  20          2HB       LEU  20   5.104   4.239   4.714
  157    HG   LEU  20           HG       LEU  20   3.037   2.281   5.679
  158   1HD1  LEU  20          1HD1      LEU  20   2.722   3.347   3.239
  159   2HD1  LEU  20          2HD1      LEU  20   3.977   2.171   2.852
  160   3HD1  LEU  20          3HD1      LEU  20   2.450   1.633   3.550
  161   1HD2  LEU  20          1HD2      LEU  20   5.908   2.321   4.974
  162   2HD2  LEU  20          2HD2      LEU  20   5.031   1.246   6.063
  163   3HD2  LEU  20          3HD2      LEU  20   5.018   0.945   4.326
  164    HA   PRO  21           HA       PRO  21   4.076   8.586   7.391
  165   1HB   PRO  21          1HB       PRO  21   6.411   9.734   6.558
  166   2HB   PRO  21          2HB       PRO  21   6.213   8.942   8.130
  167   1HG   PRO  21          1HG       PRO  21   7.681   8.014   5.741
  168   2HG   PRO  21          2HG       PRO  21   7.903   7.576   7.440
  169   1HD   PRO  21          1HD       PRO  21   6.564   6.046   5.429
  170   2HD   PRO  21          2HD       PRO  21   6.653   5.689   7.170
  171    H    GLN  22           H        GLN  22   2.941   9.957   6.122
  172    HA   GLN  22           HA       GLN  22   2.799   9.611   3.292
  173   1HB   GLN  22          1HB       GLN  22   0.958  10.476   4.840
  174   2HB   GLN  22          2HB       GLN  22   1.802  12.023   4.803
  175   1HG   GLN  22          1HG       GLN  22   1.333  10.731   2.169
  176   2HG   GLN  22          2HG       GLN  22  -0.098  11.340   2.999
  177   2HE2  GLN  22          2HE2      GLN  22   1.417  12.414   0.563
  178   1HE2  GLN  22          1HE2      GLN  22   1.747  14.032   0.958
  179    H    VAL  23           H        VAL  23   5.001  11.309   5.256
  180    HA   VAL  23           HA       VAL  23   5.576  13.639   3.900
  181    HB   VAL  23           HB       VAL  23   6.611  12.960   6.037
  182   1HG1  VAL  23          1HG1      VAL  23   7.102  10.572   4.880
  183   2HG1  VAL  23          2HG1      VAL  23   8.675  11.335   4.645
  184   3HG1  VAL  23          3HG1      VAL  23   8.012  11.164   6.270
  185   1HG2  VAL  23          1HG2      VAL  23   7.649  14.713   4.575
  186   2HG2  VAL  23          2HG2      VAL  23   8.815  13.877   5.600
  187   3HG2  VAL  23          3HG2      VAL  23   8.690  13.465   3.890
  188    H    LEU  24           H        LEU  24   6.183  10.362   2.879
  189    HA   LEU  24           HA       LEU  24   7.473  11.444   0.454
  190   1HB   LEU  24          1HB       LEU  24   9.133   9.824   0.407
  191   2HB   LEU  24          2HB       LEU  24   9.089  10.350   2.071
  192    HG   LEU  24           HG       LEU  24   9.358   8.038   2.230
  193   1HD1  LEU  24          1HD1      LEU  24   7.373   8.905   3.538
  194   2HD1  LEU  24          2HD1      LEU  24   6.342   8.273   2.255
  195   3HD1  LEU  24          3HD1      LEU  24   7.343   7.174   3.203
  196   1HD2  LEU  24          1HD2      LEU  24   8.564   7.925  -0.346
  197   2HD2  LEU  24          2HD2      LEU  24   8.683   6.494   0.678
  198   3HD2  LEU  24          3HD2      LEU  24   7.120   7.271   0.429
  199    H    LEU  25           H        LEU  25   4.803   9.858   1.558
  200    HA   LEU  25           HA       LEU  25   4.599   7.760  -0.383
  201   1HB   LEU  25          1HB       LEU  25   3.280   8.282   1.892
  202   2HB   LEU  25          2HB       LEU  25   2.158   9.001   0.760
  203    HG   LEU  25           HG       LEU  25   1.830   6.877  -0.350
  204   1HD1  LEU  25          1HD1      LEU  25   4.277   6.174   1.178
  205   2HD1  LEU  25          2HD1      LEU  25   3.060   4.904   1.052
  206   3HD1  LEU  25          3HD1      LEU  25   3.741   5.619  -0.407
  207   1HD2  LEU  25          1HD2      LEU  25   1.600   7.074   2.616
  208   2HD2  LEU  25          2HD2      LEU  25   0.335   6.882   1.401
  209   3HD2  LEU  25          3HD2      LEU  25   1.306   5.493   1.891
  210    H    SER  26           H        SER  26   2.652   7.775  -1.928
  211    HA   SER  26           HA       SER  26   2.389  10.428  -3.206
  212   1HB   SER  26          1HB       SER  26   3.996   8.546  -4.274
  213   2HB   SER  26          2HB       SER  26   2.464   8.065  -4.996
  214    HG   SER  26           HG       SER  26   2.235  10.188  -5.762
  215    H    SER  27           H        SER  27   1.193   7.113  -3.799
  216    HA   SER  27           HA       SER  27  -1.548   7.965  -3.253
  217   1HB   SER  27          1HB       SER  27  -1.217   6.621  -5.872
  218   2HB   SER  27          2HB       SER  27  -2.393   7.826  -5.366
  219    HG   SER  27           HG       SER  27  -1.078   8.967  -6.635
  220    H    TRP  28           H        TRP  28  -2.926   5.876  -4.279
  221    HA   TRP  28           HA       TRP  28  -1.623   3.376  -3.501
  222   1HB   TRP  28          1HB       TRP  28  -3.561   2.806  -1.984
  223   2HB   TRP  28          2HB       TRP  28  -2.481   4.048  -1.358
  224    HD1  TRP  28           HD1      TRP  28  -3.351   6.563  -1.343
  225    HE1  TRP  28           HE1      TRP  28  -5.723   7.567  -1.445
  226    HE3  TRP  28           HE3      TRP  28  -5.969   2.472  -2.942
  227    HZ2  TRP  28           HZ2      TRP  28  -8.379   6.736  -2.137
  228    HZ3  TRP  28           HZ3      TRP  28  -8.411   2.611  -3.314
  229    HH2  TRP  28           HH2      TRP  28  -9.620   4.735  -2.908
  230    H    TYR  29           H        TYR  29  -2.418   1.659  -4.607
  231    HA   TYR  29           HA       TYR  29  -4.868   2.135  -6.197
  232   1HB   TYR  29          1HB       TYR  29  -3.954   0.889  -8.036
  233   2HB   TYR  29          2HB       TYR  29  -2.780   2.119  -7.582
  234    HD1  TYR  29           HD1      TYR  29  -0.814   1.421  -6.068
  235    HD2  TYR  29           HD2      TYR  29  -3.387  -1.398  -8.041
  236    HE1  TYR  29           HE1      TYR  29   0.903  -0.344  -5.790
  237    HE2  TYR  29           HE2      TYR  29  -1.669  -3.164  -7.760
  238    HH   TYR  29           HH       TYR  29   1.031  -3.067  -7.468
  239    HA   PRO  30           HA       PRO  30  -6.288  -1.553  -4.194
  240   1HB   PRO  30          1HB       PRO  30  -8.515  -2.020  -5.706
  241   2HB   PRO  30          2HB       PRO  30  -8.403  -0.737  -4.491
  242   1HG   PRO  30          1HG       PRO  30  -8.384  -0.533  -7.440
  243   2HG   PRO  30          2HG       PRO  30  -8.859   0.667  -6.230
  244   1HD   PRO  30          1HD       PRO  30  -6.399   0.575  -7.659
  245   2HD   PRO  30          2HD       PRO  30  -6.799   1.642  -6.292
  246    H    THR  31           H        THR  31  -6.150  -3.758  -4.372
  247    HA   THR  31           HA       THR  31  -5.127  -4.812  -6.923
  248    HB   THR  31           HB       THR  31  -3.719  -5.247  -4.989
  249    HG1  THR  31           HG1      THR  31  -3.391  -7.179  -5.695
  250   1HG2  THR  31          1HG2      THR  31  -6.328  -6.080  -3.804
  251   2HG2  THR  31          2HG2      THR  31  -4.875  -6.933  -3.281
  252   3HG2  THR  31          3HG2      THR  31  -4.996  -5.186  -3.071
  253    H    SER  32           H        SER  32  -5.719  -7.315  -7.059
  254    HA   SER  32           HA       SER  32  -8.433  -7.466  -7.792
  255   1HB   SER  32          1HB       SER  32  -7.788 -10.085  -7.484
  256   2HB   SER  32          2HB       SER  32  -7.334  -9.126  -8.890
  257    HG   SER  32           HG       SER  32  -5.421  -9.834  -8.242
  258    H    GLN  33           H        GLN  33 -10.245  -8.055  -6.744
  259    HA   GLN  33           HA       GLN  33  -9.998  -8.649  -3.865
  260   1HB   GLN  33          1HB       GLN  33 -11.409  -6.673  -4.864
  261   2HB   GLN  33          2HB       GLN  33 -12.595  -7.940  -5.178
  262   1HG   GLN  33          1HG       GLN  33 -12.839  -8.453  -2.896
  263   2HG   GLN  33          2HG       GLN  33 -11.308  -7.687  -2.466
  264   2HE2  GLN  33          2HE2      GLN  33 -14.466  -7.205  -1.954
  265   1HE2  GLN  33          1HE2      GLN  33 -14.550  -5.511  -2.024
  266    H    LEU  34           H        LEU  34  -9.657 -10.652  -5.999
  267    HA   LEU  34           HA       LEU  34 -12.045 -12.333  -5.600
  268   1HB   LEU  34          1HB       LEU  34  -9.722 -12.796  -7.464
  269   2HB   LEU  34          2HB       LEU  34 -11.221 -13.695  -7.416
  270    HG   LEU  34           HG       LEU  34 -11.363 -12.268  -9.305
  271   1HD1  LEU  34          1HD1      LEU  34 -13.402 -12.302  -7.889
  272   2HD1  LEU  34          2HD1      LEU  34 -12.818 -10.871  -7.039
  273   3HD1  LEU  34          3HD1      LEU  34 -13.227 -10.773  -8.752
  274   1HD2  LEU  34          1HD2      LEU  34  -9.483 -10.752  -8.283
  275   2HD2  LEU  34          2HD2      LEU  34 -10.656 -10.039  -9.390
  276   3HD2  LEU  34          3HD2      LEU  34 -10.835  -9.812  -7.651
  277    H    CYS  35           H        CYS  35  -8.629 -12.094  -4.901
  278    HA   CYS  35           HA       CYS  35  -8.117 -14.767  -4.152
  279   1HB   CYS  35          1HB       CYS  35  -6.873 -12.304  -2.906
  280   2HB   CYS  35          2HB       CYS  35  -6.183 -13.923  -2.980
  281    H    SER  36           H        SER  36  -7.266 -14.861  -1.592
  282    HA   SER  36           HA       SER  36  -9.787 -14.587  -0.083
  283   1HB   SER  36          1HB       SER  36  -7.435 -16.444   0.183
  284   2HB   SER  36          2HB       SER  36  -8.570 -16.209   1.509
  285    HG   SER  36           HG       SER  36  -9.285 -16.924  -1.147
  286    H    LYS  37           H        LYS  37  -7.554 -12.511  -0.529
  287    HA   LYS  37           HA       LYS  37  -7.662 -11.380   2.081
  288   1HB   LYS  37          1HB       LYS  37  -5.851 -13.237   2.244
  289   2HB   LYS  37          2HB       LYS  37  -4.861 -12.137   1.285
  290   1HG   LYS  37          1HG       LYS  37  -4.676 -10.602   2.983
  291   2HG   LYS  37          2HG       LYS  37  -6.280 -10.961   3.622
  292   1HD   LYS  37          1HD       LYS  37  -5.297 -13.237   4.325
  293   2HD   LYS  37          2HD       LYS  37  -3.718 -12.505   4.030
  294   1HE   LYS  37          1HE       LYS  37  -4.145 -12.133   6.339
  295   2HE   LYS  37          2HE       LYS  37  -4.497 -10.593   5.555
  296   1HZ   LYS  37          1HZ       LYS  37  -6.564 -12.647   6.100
  297   2HZ   LYS  37          2HZ       LYS  37  -6.208 -11.383   7.174
  298   3HZ   LYS  37          3HZ       LYS  37  -6.803 -11.034   5.621
  299    HA   PRO  38           HA       PRO  38  -6.487  -8.593  -1.473
  300   1HB   PRO  38          1HB       PRO  38  -8.888  -7.358  -1.852
  301   2HB   PRO  38          2HB       PRO  38  -8.415  -8.855  -2.671
  302   1HG   PRO  38          1HG       PRO  38 -10.366  -8.454  -0.490
  303   2HG   PRO  38          2HG       PRO  38 -10.263  -9.754  -1.685
  304   1HD   PRO  38          1HD       PRO  38  -9.413  -9.855   1.043
  305   2HD   PRO  38          2HD       PRO  38  -9.170 -11.099  -0.207
  306    H    GLY  39           H        GLY  39  -6.435  -6.223  -1.526
  307   1HA   GLY  39          1HA       GLY  39  -5.748  -5.003   0.863
  308   2HA   GLY  39          2HA       GLY  39  -7.450  -4.621   0.608
  309    H    VAL  40           H        VAL  40  -4.655  -3.192   0.368
  310    HA   VAL  40           HA       VAL  40  -4.835  -2.207  -2.380
  311    HB   VAL  40           HB       VAL  40  -5.003  -0.268  -0.066
  312   1HG1  VAL  40          1HG1      VAL  40  -4.044   0.173  -2.540
  313   2HG1  VAL  40          2HG1      VAL  40  -5.762   0.411  -2.853
  314   3HG1  VAL  40          3HG1      VAL  40  -4.942   1.388  -1.635
  315   1HG2  VAL  40          1HG2      VAL  40  -7.167  -1.249  -1.945
  316   2HG2  VAL  40          2HG2      VAL  40  -7.095  -1.532  -0.206
  317   3HG2  VAL  40          3HG2      VAL  40  -7.338   0.102  -0.823
  318    H    ILE  41           H        ILE  41  -2.937  -1.458  -3.154
  319    HA   ILE  41           HA       ILE  41  -0.620  -1.650  -1.349
  320    HB   ILE  41           HB       ILE  41  -0.911  -1.872  -4.350
  321   1HG1  ILE  41          1HG1      ILE  41   0.271  -4.074  -3.802
  322   2HG1  ILE  41          2HG1      ILE  41  -0.050  -3.704  -2.108
  323   1HG2  ILE  41          1HG2      ILE  41   1.145  -0.557  -3.831
  324   2HG2  ILE  41          2HG2      ILE  41   1.674  -1.850  -2.754
  325   3HG2  ILE  41          3HG2      ILE  41   1.525  -2.150  -4.486
  326   1HD1  ILE  41          1HD1      ILE  41  -2.351  -3.466  -3.979
  327   2HD1  ILE  41          2HD1      ILE  41  -1.781  -5.098  -3.628
  328   3HD1  ILE  41          3HD1      ILE  41  -2.309  -4.046  -2.314
  329    H    PHE  42           H        PHE  42   0.661   0.070  -0.952
  330    HA   PHE  42           HA       PHE  42  -0.236   2.668  -2.002
  331   1HB   PHE  42          1HB       PHE  42   1.241   1.789   0.450
  332   2HB   PHE  42          2HB       PHE  42   1.486   3.428  -0.152
  333    HD1  PHE  42           HD1      PHE  42  -1.079   1.007   1.020
  334    HD2  PHE  42           HD2      PHE  42  -0.198   5.102   0.071
  335    HE1  PHE  42           HE1      PHE  42  -3.231   1.704   2.034
  336    HE2  PHE  42           HE2      PHE  42  -2.350   5.798   1.083
  337    HZ   PHE  42           HZ       PHE  42  -3.867   4.102   2.068
  338    H    LEU  43           H        LEU  43   0.878   3.630  -3.555
  339    HA   LEU  43           HA       LEU  43   3.601   2.696  -4.162
  340   1HB   LEU  43          1HB       LEU  43   1.882   4.588  -5.757
  341   2HB   LEU  43          2HB       LEU  43   3.344   3.786  -6.286
  342    HG   LEU  43           HG       LEU  43   1.079   2.043  -5.450
  343   1HD1  LEU  43          1HD1      LEU  43   1.063   3.893  -7.820
  344   2HD1  LEU  43          2HD1      LEU  43   0.311   2.304  -7.946
  345   3HD1  LEU  43          3HD1      LEU  43  -0.263   3.460  -6.742
  346   1HD2  LEU  43          1HD2      LEU  43   3.359   1.287  -6.302
  347   2HD2  LEU  43          2HD2      LEU  43   1.973   0.625  -7.168
  348   3HD2  LEU  43          3HD2      LEU  43   2.900   1.951  -7.869
  349    H    THR  44           H        THR  44   5.023   3.755  -2.861
  350    HA   THR  44           HA       THR  44   4.704   6.416  -1.944
  351    HB   THR  44           HB       THR  44   7.135   6.265  -1.395
  352    HG1  THR  44           HG1      THR  44   7.532   4.869  -3.297
  353   1HG2  THR  44          1HG2      THR  44   5.121   4.203  -0.640
  354   2HG2  THR  44          2HG2      THR  44   6.784   3.951  -0.112
  355   3HG2  THR  44          3HG2      THR  44   5.922   5.413   0.363
  356    H    LYS  45           H        LYS  45   6.446   8.124  -2.451
  357    HA   LYS  45           HA       LYS  45   6.120   8.981  -5.116
  358   1HB   LYS  45          1HB       LYS  45   7.919   9.827  -2.866
  359   2HB   LYS  45          2HB       LYS  45   8.132  10.516  -4.476
  360   1HG   LYS  45          1HG       LYS  45   6.141  11.655  -4.406
  361   2HG   LYS  45          2HG       LYS  45   5.351  10.420  -3.423
  362   1HD   LYS  45          1HD       LYS  45   5.586  12.021  -1.795
  363   2HD   LYS  45          2HD       LYS  45   7.176  11.275  -1.639
  364   1HE   LYS  45          1HE       LYS  45   7.779  13.002  -3.576
  365   2HE   LYS  45          2HE       LYS  45   6.422  13.887  -2.881
  366   1HZ   LYS  45          1HZ       LYS  45   7.508  13.640  -0.691
  367   2HZ   LYS  45          2HZ       LYS  45   8.854  12.953  -1.460
  368   3HZ   LYS  45          3HZ       LYS  45   8.419  14.562  -1.791
  369    H    ARG  46           H        ARG  46   9.096   7.881  -3.492
  370    HA   ARG  46           HA       ARG  46  10.026   6.816  -6.090
  371   1HB   ARG  46          1HB       ARG  46  11.167   8.964  -5.432
  372   2HB   ARG  46          2HB       ARG  46  11.805   8.110  -4.026
  373   1HG   ARG  46          1HG       ARG  46  13.212   6.787  -5.290
  374   2HG   ARG  46          2HG       ARG  46  12.158   6.835  -6.705
  375   1HD   ARG  46          1HD       ARG  46  12.785   9.414  -6.657
  376   2HD   ARG  46          2HD       ARG  46  14.197   8.824  -5.788
  377    HE   ARG  46           HE       ARG  46  14.992   7.991  -7.791
  378   1HH1  ARG  46          1HH1      ARG  46  11.534   8.473  -8.047
  379   2HH1  ARG  46          2HH1      ARG  46  11.489   8.070  -9.728
  380   1HH2  ARG  46          1HH2      ARG  46  14.887   7.471  -9.984
  381   2HH2  ARG  46          2HH2      ARG  46  13.369   7.507 -10.817
  382    H    GLY  47           H        GLY  47   9.139   5.979  -3.005
  383   1HA   GLY  47          1HA       GLY  47   9.676   4.267  -1.561
  384   2HA   GLY  47          2HA       GLY  47  11.254   4.169  -2.332
  385    H    ARG  48           H        ARG  48   8.309   2.657  -1.890
  386    HA   ARG  48           HA       ARG  48   8.318   1.150  -4.386
  387   1HB   ARG  48          1HB       ARG  48   9.475   0.123  -1.868
  388   2HB   ARG  48          2HB       ARG  48   8.334  -0.964  -2.656
  389   1HG   ARG  48          1HG       ARG  48   9.596  -0.777  -4.764
  390   2HG   ARG  48          2HG       ARG  48  10.735   0.324  -3.988
  391   1HD   ARG  48          1HD       ARG  48  11.143  -1.530  -2.279
  392   2HD   ARG  48          2HD       ARG  48  10.264  -2.597  -3.369
  393    HE   ARG  48           HE       ARG  48  12.949  -1.597  -3.728
  394   1HH1  ARG  48          1HH1      ARG  48  10.087  -2.774  -5.364
  395   2HH1  ARG  48          2HH1      ARG  48  10.962  -3.296  -6.761
  396   1HH2  ARG  48          1HH2      ARG  48  14.052  -2.293  -5.568
  397   2HH2  ARG  48          2HH2      ARG  48  13.188  -3.027  -6.878
  398    H    GLN  49           H        GLN  49   6.747  -0.921  -3.819
  399    HA   GLN  49           HA       GLN  49   4.201   0.327  -3.212
  400   1HB   GLN  49          1HB       GLN  49   5.105  -2.280  -4.339
  401   2HB   GLN  49          2HB       GLN  49   3.521  -2.233  -3.563
  402   1HG   GLN  49          1HG       GLN  49   2.810  -0.414  -5.014
  403   2HG   GLN  49          2HG       GLN  49   4.422  -0.306  -5.723
  404   2HE2  GLN  49          2HE2      GLN  49   3.460  -0.809  -7.864
  405   1HE2  GLN  49          1HE2      GLN  49   3.021  -2.404  -8.245
  406    H    VAL  50           H        VAL  50   2.696  -0.554  -1.643
  407    HA   VAL  50           HA       VAL  50   3.824  -2.213   0.487
  408    HB   VAL  50           HB       VAL  50   2.788   0.592   0.978
  409   1HG1  VAL  50          1HG1      VAL  50   3.414  -1.708   2.827
  410   2HG1  VAL  50          2HG1      VAL  50   3.564  -0.040   3.378
  411   3HG1  VAL  50          3HG1      VAL  50   2.004  -0.649   2.828
  412   1HG2  VAL  50          1HG2      VAL  50   5.492  -0.733   1.146
  413   2HG2  VAL  50          2HG2      VAL  50   5.051   0.759   0.314
  414   3HG2  VAL  50          3HG2      VAL  50   5.125   0.719   2.076
  415    H    CYS  51           H        CYS  51   2.360  -3.744   0.751
  416    HA   CYS  51           HA       CYS  51  -0.413  -3.423   0.061
  417   1HB   CYS  51          1HB       CYS  51   0.891  -5.617   1.696
  418   2HB   CYS  51          2HB       CYS  51  -0.680  -5.691   0.901
  419    H    ALA  52           H        ALA  52  -1.721  -2.185   1.287
  420    HA   ALA  52           HA       ALA  52  -1.399  -2.361   4.233
  421   1HB   ALA  52          1HB       ALA  52  -0.894  -0.122   2.917
  422   2HB   ALA  52          2HB       ALA  52  -2.651   0.034   2.962
  423   3HB   ALA  52          3HB       ALA  52  -1.739  -0.095   4.465
  424    H    ASP  53           H        ASP  53  -3.197  -2.624   5.464
  425    HA   ASP  53           HA       ASP  53  -5.599  -3.545   4.115
  426   1HB   ASP  53          1HB       ASP  53  -4.470  -3.703   6.839
  427   2HB   ASP  53          2HB       ASP  53  -6.224  -3.536   6.786
  428    H    LYS  54           H        LYS  54  -7.675  -2.816   5.571
  429    HA   LYS  54           HA       LYS  54  -7.741   0.127   5.297
  430   1HB   LYS  54          1HB       LYS  54 -10.071  -1.809   5.260
  431   2HB   LYS  54          2HB       LYS  54 -10.132  -0.078   4.926
  432   1HG   LYS  54          1HG       LYS  54  -8.294  -1.826   3.319
  433   2HG   LYS  54          2HG       LYS  54 -10.012  -1.775   2.925
  434   1HD   LYS  54          1HD       LYS  54  -9.548   0.869   3.161
  435   2HD   LYS  54          2HD       LYS  54  -7.942   0.343   2.652
  436   1HE   LYS  54          1HE       LYS  54  -9.303   0.891   0.687
  437   2HE   LYS  54          2HE       LYS  54  -8.961  -0.839   0.721
  438   1HZ   LYS  54          1HZ       LYS  54 -11.402   0.170   2.008
  439   2HZ   LYS  54          2HZ       LYS  54 -11.368   0.011   0.320
  440   3HZ   LYS  54          3HZ       LYS  54 -11.101  -1.347   1.305
  441    H    SER  55           H        SER  55  -8.457  -2.591   7.388
  442    HA   SER  55           HA       SER  55  -9.932  -1.307   9.392
  443   1HB   SER  55          1HB       SER  55  -8.310  -3.762   9.203
  444   2HB   SER  55          2HB       SER  55  -8.521  -3.123  10.829
  445    HG   SER  55           HG       SER  55 -10.708  -3.268  10.591
  446    H    LYS  56           H        LYS  56  -6.528  -1.200   8.645
  447    HA   LYS  56           HA       LYS  56  -5.481  -0.352  11.105
  448   1HB   LYS  56          1HB       LYS  56  -4.619   0.359   8.292
  449   2HB   LYS  56          2HB       LYS  56  -3.674   0.698   9.742
  450   1HG   LYS  56          1HG       LYS  56  -4.641  -2.086   9.068
  451   2HG   LYS  56          2HG       LYS  56  -3.093  -1.463   8.495
  452   1HD   LYS  56          1HD       LYS  56  -2.560  -0.902  10.922
  453   2HD   LYS  56          2HD       LYS  56  -3.981  -1.850  11.361
  454   1HE   LYS  56          1HE       LYS  56  -2.898  -3.694   9.851
  455   2HE   LYS  56          2HE       LYS  56  -1.414  -2.773  10.096
  456   1HZ   LYS  56          1HZ       LYS  56  -3.125  -3.542  12.375
  457   2HZ   LYS  56          2HZ       LYS  56  -1.971  -4.617  11.751
  458   3HZ   LYS  56          3HZ       LYS  56  -1.481  -3.115  12.376
  459    H    ASP  57           H        ASP  57  -4.444   1.972  11.235
  460    HA   ASP  57           HA       ASP  57  -6.671   3.883  10.868
  461   1HB   ASP  57          1HB       ASP  57  -5.583   5.167  12.718
  462   2HB   ASP  57          2HB       ASP  57  -6.144   3.568  13.207
  463    H    TRP  58           H        TRP  58  -3.268   3.300  10.300
  464    HA   TRP  58           HA       TRP  58  -2.738   6.001   9.431
  465   1HB   TRP  58          1HB       TRP  58  -0.541   5.139   8.733
  466   2HB   TRP  58          2HB       TRP  58  -0.920   4.706  10.396
  467    HD1  TRP  58           HD1      TRP  58  -1.481   2.150  10.915
  468    HE1  TRP  58           HE1      TRP  58  -0.893  -0.012   9.643
  469    HE3  TRP  58           HE3      TRP  58  -0.254   4.107   6.371
  470    HZ2  TRP  58           HZ2      TRP  58  -0.013  -0.812   7.022
  471    HZ3  TRP  58           HZ3      TRP  58   0.454   2.635   4.509
  472    HH2  TRP  58           HH2      TRP  58   0.572   0.183   4.830
  473    H    VAL  59           H        VAL  59  -3.852   3.061   7.954
  474    HA   VAL  59           HA       VAL  59  -3.211   3.849   5.256
  475    HB   VAL  59           HB       VAL  59  -5.202   1.775   6.205
  476   1HG1  VAL  59          1HG1      VAL  59  -4.105   2.623   3.573
  477   2HG1  VAL  59          2HG1      VAL  59  -4.226   0.884   3.844
  478   3HG1  VAL  59          3HG1      VAL  59  -5.666   1.897   3.960
  479   1HG2  VAL  59          1HG2      VAL  59  -2.255   1.543   5.517
  480   2HG2  VAL  59          2HG2      VAL  59  -2.964   1.344   7.120
  481   3HG2  VAL  59          3HG2      VAL  59  -3.329   0.183   5.845
  482    H    LYS  60           H        LYS  60  -5.933   4.151   7.443
  483    HA   LYS  60           HA       LYS  60  -7.867   4.963   5.524
  484   1HB   LYS  60          1HB       LYS  60  -8.265   4.194   7.943
  485   2HB   LYS  60          2HB       LYS  60  -7.847   5.843   8.407
  486   1HG   LYS  60          1HG       LYS  60  -9.643   6.749   7.064
  487   2HG   LYS  60          2HG       LYS  60  -9.990   5.162   6.377
  488   1HD   LYS  60          1HD       LYS  60 -10.274   4.484   8.924
  489   2HD   LYS  60          2HD       LYS  60 -10.582   6.211   9.120
  490   1HE   LYS  60          1HE       LYS  60 -12.727   5.536   8.631
  491   2HE   LYS  60          2HE       LYS  60 -12.142   5.768   6.983
  492   1HZ   LYS  60          1HZ       LYS  60 -12.111   3.199   8.476
  493   2HZ   LYS  60          2HZ       LYS  60 -13.225   3.619   7.264
  494   3HZ   LYS  60          3HZ       LYS  60 -11.585   3.430   6.877
  495    H    LYS  61           H        LYS  61  -5.659   6.767   7.643
  496    HA   LYS  61           HA       LYS  61  -6.541   9.356   6.953
  497   1HB   LYS  61          1HB       LYS  61  -4.830   8.508   8.794
  498   2HB   LYS  61          2HB       LYS  61  -3.649   8.880   7.538
  499   1HG   LYS  61          1HG       LYS  61  -4.599  11.162   7.340
  500   2HG   LYS  61          2HG       LYS  61  -5.737  10.788   8.634
  501   1HD   LYS  61          1HD       LYS  61  -3.457  10.084   9.873
  502   2HD   LYS  61          2HD       LYS  61  -2.808  11.304   8.778
  503   1HE   LYS  61          1HE       LYS  61  -4.227  13.000   9.652
  504   2HE   LYS  61          2HE       LYS  61  -5.253  11.824  10.474
  505   1HZ   LYS  61          1HZ       LYS  61  -3.323  11.237  11.863
  506   2HZ   LYS  61          2HZ       LYS  61  -2.435  12.487  11.131
  507   3HZ   LYS  61          3HZ       LYS  61  -3.809  12.850  12.062
  508    H    LEU  62           H        LEU  62  -4.001   7.297   5.570
  509    HA   LEU  62           HA       LEU  62  -3.040   9.152   3.669
  510   1HB   LEU  62          1HB       LEU  62  -3.154   6.147   3.474
  511   2HB   LEU  62          2HB       LEU  62  -2.199   7.198   2.455
  512    HG   LEU  62           HG       LEU  62  -1.785   7.238   5.423
  513   1HD1  LEU  62          1HD1      LEU  62  -0.988   5.116   3.450
  514   2HD1  LEU  62          2HD1      LEU  62   0.085   5.505   4.794
  515   3HD1  LEU  62          3HD1      LEU  62  -1.553   4.934   5.110
  516   1HD2  LEU  62          1HD2      LEU  62  -0.324   7.998   2.923
  517   2HD2  LEU  62          2HD2      LEU  62  -0.457   8.870   4.450
  518   3HD2  LEU  62          3HD2      LEU  62   0.634   7.491   4.315
  519    H    MET  63           H        MET  63  -5.542   6.665   3.506
  520    HA   MET  63           HA       MET  63  -6.244   6.807   0.823
  521   1HB   MET  63          1HB       MET  63  -7.802   6.197   3.310
  522   2HB   MET  63          2HB       MET  63  -8.638   6.318   1.762
  523   1HG   MET  63          1HG       MET  63  -6.541   4.762   1.033
  524   2HG   MET  63          2HG       MET  63  -6.703   4.274   2.718
  525   1HE   MET  63          1HE       MET  63  -7.071   3.440  -0.357
  526   2HE   MET  63          2HE       MET  63  -7.484   1.880   0.347
  527   3HE   MET  63          3HE       MET  63  -8.619   2.676  -0.740
  528    H    GLN  64           H        GLN  64  -7.069   8.970   3.462
  529    HA   GLN  64           HA       GLN  64  -8.880  10.539   1.798
  530   1HB   GLN  64          1HB       GLN  64  -9.219  10.153   4.291
  531   2HB   GLN  64          2HB       GLN  64  -7.863  11.251   4.551
  532   1HG   GLN  64          1HG       GLN  64  -9.025  13.037   3.368
  533   2HG   GLN  64          2HG       GLN  64 -10.351  11.946   2.964
  534   2HE2  GLN  64          2HE2      GLN  64 -12.052  11.845   4.449
  535   1HE2  GLN  64          1HE2      GLN  64 -11.983  12.449   6.033
  536    H    GLN  65           H        GLN  65  -5.581  10.620   2.959
  537    HA   GLN  65           HA       GLN  65  -5.086  13.365   2.287
  538   1HB   GLN  65          1HB       GLN  65  -3.432  11.033   3.142
  539   2HB   GLN  65          2HB       GLN  65  -2.620  12.404   2.391
  540   1HG   GLN  65          1HG       GLN  65  -4.612  13.170   4.426
  541   2HG   GLN  65          2HG       GLN  65  -3.265  12.230   5.063
  542   2HE2  GLN  65          2HE2      GLN  65  -1.066  13.127   4.771
  543   1HE2  GLN  65          1HE2      GLN  65  -0.851  14.782   4.464
  544    H    LEU  66           H        LEU  66  -4.714  10.267   0.656
  545    HA   LEU  66           HA       LEU  66  -3.666  11.673  -1.725
  546   1HB   LEU  66          1HB       LEU  66  -3.664   8.701  -1.310
  547   2HB   LEU  66          2HB       LEU  66  -2.709   9.642  -2.435
  548    HG   LEU  66           HG       LEU  66  -2.371   9.719   0.572
  549   1HD1  LEU  66          1HD1      LEU  66  -1.812   7.507  -0.488
  550   2HD1  LEU  66          2HD1      LEU  66  -0.649   8.348  -1.512
  551   3HD1  LEU  66          3HD1      LEU  66  -0.424   8.316   0.237
  552   1HD2  LEU  66          1HD2      LEU  66  -1.146  11.119  -1.754
  553   2HD2  LEU  66          2HD2      LEU  66  -1.387  11.686  -0.101
  554   3HD2  LEU  66          3HD2      LEU  66  -0.048  10.599  -0.475
  555    HA   PRO  67           HA       PRO  67  -7.523  10.745  -3.670
  556   1HB   PRO  67          1HB       PRO  67  -6.796  11.031  -6.295
  557   2HB   PRO  67          2HB       PRO  67  -7.038  12.386  -5.184
  558   1HG   PRO  67          1HG       PRO  67  -4.517  11.265  -6.251
  559   2HG   PRO  67          2HG       PRO  67  -4.867  12.897  -5.664
  560   1HD   PRO  67          1HD       PRO  67  -3.496  10.848  -4.247
  561   2HD   PRO  67          2HD       PRO  67  -4.067  12.398  -3.585
  562    H    VAL  68           H        VAL  68  -5.325   9.457  -6.143
  563    HA   VAL  68           HA       VAL  68  -5.249   6.779  -5.595
  564    HB   VAL  68           HB       VAL  68  -7.965   7.594  -6.393
  565   1HG1  VAL  68          1HG1      VAL  68  -6.631   5.362  -7.947
  566   2HG1  VAL  68          2HG1      VAL  68  -8.380   5.527  -7.781
  567   3HG1  VAL  68          3HG1      VAL  68  -7.449   6.780  -8.603
  568   1HG2  VAL  68          1HG2      VAL  68  -6.768   5.927  -4.548
  569   2HG2  VAL  68          2HG2      VAL  68  -8.492   5.976  -4.910
  570   3HG2  VAL  68          3HG2      VAL  68  -7.457   4.785  -5.699
  571    H    THR  69           H        THR  69  -4.497   5.517  -7.389
  572    HA   THR  69           HA       THR  69  -2.878   6.947  -9.190
  573    HB   THR  69           HB       THR  69  -2.393   4.796 -10.192
  574    HG1  THR  69           HG1      THR  69  -4.635   3.896  -8.715
  575   1HG2  THR  69          1HG2      THR  69  -1.576   5.339  -7.853
  576   2HG2  THR  69          2HG2      THR  69  -2.892   4.334  -7.249
  577   3HG2  THR  69          3HG2      THR  69  -1.627   3.622  -8.251
  578    H    ALA  70           H        ALA  70  -4.187   8.430 -10.304
  579    HA   ALA  70           HA       ALA  70  -6.507   7.743 -11.774
  580   1HB   ALA  70          1HB       ALA  70  -4.554   9.999 -12.291
  581   2HB   ALA  70          2HB       ALA  70  -5.923  10.073 -11.182
  582   3HB   ALA  70          3HB       ALA  70  -6.199   9.887 -12.915
  583    H    ARG  71           H        ARG  71  -5.941   5.788 -12.851
  584    HA   ARG  71           HA       ARG  71  -4.605   6.276 -15.420
  585   1HB   ARG  71          1HB       ARG  71  -3.735   4.317 -13.339
  586   2HB   ARG  71          2HB       ARG  71  -3.629   3.841 -15.034
  587   1HG   ARG  71          1HG       ARG  71  -2.134   5.586 -15.559
  588   2HG   ARG  71          2HG       ARG  71  -2.550   6.499 -14.108
  589   1HD   ARG  71          1HD       ARG  71  -1.210   5.217 -12.745
  590   2HD   ARG  71          2HD       ARG  71  -1.412   3.771 -13.728
  591    HE   ARG  71           HE       ARG  71   0.676   5.716 -13.976
  592   1HH1  ARG  71          1HH1      ARG  71  -1.334   3.511 -15.807
  593   2HH1  ARG  71          2HH1      ARG  71  -0.175   3.333 -17.079
  594   1HH2  ARG  71          1HH2      ARG  71   2.158   5.455 -15.655
  595   2HH2  ARG  71          2HH2      ARG  71   1.786   4.423 -16.996

  No H/Q in entry =         595
  Start of MODEL   12
    1    H1   LEU   1           H1       LEU   1  -5.445  -5.405 -19.795
    2    H2   LEU   1           H2       LEU   1  -4.446  -4.253 -19.047
    3    H3   LEU   1           H3       LEU   1  -6.059  -4.424 -18.551
    4    HA   LEU   1           HA       LEU   1  -6.908  -3.422 -20.439
    5   1HB   LEU   1          1HB       LEU   1  -5.634  -1.856 -18.942
    6   2HB   LEU   1          2HB       LEU   1  -4.240  -2.050 -20.004
    7    HG   LEU   1           HG       LEU   1  -5.961  -1.407 -21.893
    8   1HD1  LEU   1          1HD1      LEU   1  -7.218  -0.306 -19.365
    9   2HD1  LEU   1          2HD1      LEU   1  -7.604   0.281 -20.983
   10   3HD1  LEU   1          3HD1      LEU   1  -7.964  -1.388 -20.541
   11   1HD2  LEU   1          1HD2      LEU   1  -3.941  -0.110 -21.107
   12   2HD2  LEU   1          2HD2      LEU   1  -5.267   0.902 -21.679
   13   3HD2  LEU   1          3HD2      LEU   1  -4.989   0.707 -19.948
   14    H    GLY   2           H        GLY   2  -7.049  -3.611 -22.587
   15   1HA   GLY   2          1HA       GLY   2  -4.674  -3.776 -24.259
   16   2HA   GLY   2          2HA       GLY   2  -6.343  -3.710 -24.815
   17    H    ALA   3           H        ALA   3  -7.631  -5.752 -23.968
   18    HA   ALA   3           HA       ALA   3  -8.025  -7.984 -24.350
   19   1HB   ALA   3          1HB       ALA   3  -6.338  -7.365 -26.372
   20   2HB   ALA   3          2HB       ALA   3  -5.360  -8.555 -25.513
   21   3HB   ALA   3          3HB       ALA   3  -6.966  -8.991 -26.097
   22    H    SER   4           H        SER   4  -4.494  -7.883 -23.850
   23    HA   SER   4           HA       SER   4  -3.139  -8.942 -22.329
   24   1HB   SER   4          1HB       SER   4  -3.696  -8.695 -20.057
   25   2HB   SER   4          2HB       SER   4  -4.538  -7.367 -20.846
   26    HG   SER   4           HG       SER   4  -5.581  -9.208 -19.329
   27    H    TRP   5           H        TRP   5  -3.010 -10.859 -20.768
   28    HA   TRP   5           HA       TRP   5  -4.982 -12.930 -21.018
   29   1HB   TRP   5          1HB       TRP   5  -2.872 -12.763 -23.023
   30   2HB   TRP   5          2HB       TRP   5  -2.793 -14.282 -22.138
   31    HD1  TRP   5           HD1      TRP   5  -4.129 -13.240 -25.181
   32    HE1  TRP   5           HE1      TRP   5  -6.339 -14.413 -25.803
   33    HE3  TRP   5           HE3      TRP   5  -5.468 -15.077 -20.609
   34    HZ2  TRP   5           HZ2      TRP   5  -8.403 -15.930 -24.529
   35    HZ3  TRP   5           HZ3      TRP   5  -7.558 -16.381 -20.341
   36    HH2  TRP   5           HH2      TRP   5  -9.026 -16.809 -22.293
   37    H    HIS   6           H        HIS   6  -3.492 -11.543 -18.953
   38    HA   HIS   6           HA       HIS   6  -2.255 -13.898 -17.676
   39   1HB   HIS   6          1HB       HIS   6  -0.577 -12.366 -16.624
   40   2HB   HIS   6          2HB       HIS   6  -0.388 -12.522 -18.370
   41    HD1  HIS   6           HD1      HIS   6  -1.091 -10.480 -19.841
   42    HD2  HIS   6           HD2      HIS   6  -1.400  -9.798 -15.740
   43    HE1  HIS   6           HE1      HIS   6  -1.395  -7.983 -19.552
   44    H    ARG   7           H        ARG   7  -1.784 -13.139 -15.232
   45    HA   ARG   7           HA       ARG   7  -4.349 -12.033 -14.249
   46   1HB   ARG   7          1HB       ARG   7  -2.648 -14.304 -13.332
   47   2HB   ARG   7          2HB       ARG   7  -3.486 -13.355 -12.101
   48   1HG   ARG   7          1HG       ARG   7  -5.603 -13.659 -13.486
   49   2HG   ARG   7          2HG       ARG   7  -4.708 -14.847 -14.434
   50   1HD   ARG   7          1HD       ARG   7  -4.638 -16.373 -12.717
   51   2HD   ARG   7          2HD       ARG   7  -4.605 -15.131 -11.472
   52    HE   ARG   7           HE       ARG   7  -6.909 -15.287 -11.365
   53   1HH1  ARG   7          1HH1      ARG   7  -5.824 -16.533 -14.452
   54   2HH1  ARG   7          2HH1      ARG   7  -7.406 -17.046 -14.929
   55   1HH2  ARG   7          1HH2      ARG   7  -8.954 -15.971 -12.026
   56   2HH2  ARG   7          2HH2      ARG   7  -9.164 -16.732 -13.567
   57    HA   PRO   8           HA       PRO   8  -1.142  -9.124 -12.728
   58   1HB   PRO   8          1HB       PRO   8  -2.572  -6.847 -13.208
   59   2HB   PRO   8          2HB       PRO   8  -1.563  -7.648 -14.423
   60   1HG   PRO   8          1HG       PRO   8  -4.511  -7.553 -14.200
   61   2HG   PRO   8          2HG       PRO   8  -3.494  -7.799 -15.627
   62   1HD   PRO   8          1HD       PRO   8  -4.887  -9.805 -14.164
   63   2HD   PRO   8          2HD       PRO   8  -3.697 -10.066 -15.460
   64    H    ASP   9           H        ASP   9  -1.813  -6.888 -11.360
   65    HA   ASP   9           HA       ASP   9  -2.534  -6.114  -9.318
   66   1HB   ASP   9          1HB       ASP   9  -4.904  -7.923  -9.855
   67   2HB   ASP   9          2HB       ASP   9  -4.833  -6.647  -8.637
   68    H    LYS  10           H        LYS  10  -0.977  -6.962  -7.996
   69    HA   LYS  10           HA       LYS  10  -0.824  -9.672  -7.178
   70   1HB   LYS  10          1HB       LYS  10   0.206  -7.224  -5.723
   71   2HB   LYS  10          2HB       LYS  10   0.737  -8.889  -5.478
   72   1HG   LYS  10          1HG       LYS  10   1.963  -8.930  -7.413
   73   2HG   LYS  10          2HG       LYS  10   0.842  -7.869  -8.269
   74   1HD   LYS  10          1HD       LYS  10   1.711  -5.921  -7.138
   75   2HD   LYS  10          2HD       LYS  10   2.689  -6.920  -6.062
   76   1HE   LYS  10          1HE       LYS  10   3.738  -7.828  -8.285
   77   2HE   LYS  10          2HE       LYS  10   3.086  -6.347  -8.988
   78   1HZ   LYS  10          1HZ       LYS  10   4.233  -5.134  -7.149
   79   2HZ   LYS  10          2HZ       LYS  10   5.011  -6.591  -6.745
   80   3HZ   LYS  10          3HZ       LYS  10   5.273  -5.876  -8.264
   81    H    CYS  11           H        CYS  11  -2.153 -10.756  -5.897
   82    HA   CYS  11           HA       CYS  11  -4.322  -9.625  -4.511
   83   1HB   CYS  11          1HB       CYS  11  -2.984 -12.278  -3.923
   84   2HB   CYS  11          2HB       CYS  11  -4.642 -11.819  -3.532
   85    H    CYS  12           H        CYS  12  -1.174 -10.791  -3.344
   86    HA   CYS  12           HA       CYS  12   0.015 -10.338  -1.430
   87   1HB   CYS  12          1HB       CYS  12  -0.783  -7.925  -2.244
   88   2HB   CYS  12          2HB       CYS  12  -1.711  -8.002  -0.747
   89    H    LEU  13           H        LEU  13  -0.230 -11.672   0.221
   90    HA   LEU  13           HA       LEU  13  -2.849 -11.906   1.531
   91   1HB   LEU  13          1HB       LEU  13  -1.668 -13.834   2.719
   92   2HB   LEU  13          2HB       LEU  13  -2.045 -14.030   1.021
   93    HG   LEU  13           HG       LEU  13   0.659 -12.971   1.670
   94   1HD1  LEU  13          1HD1      LEU  13  -0.316 -15.743   2.354
   95   2HD1  LEU  13          2HD1      LEU  13   1.365 -15.460   1.902
   96   3HD1  LEU  13          3HD1      LEU  13   0.686 -14.659   3.319
   97   1HD2  LEU  13          1HD2      LEU  13  -0.732 -14.572  -0.417
   98   2HD2  LEU  13          2HD2      LEU  13   0.512 -13.333  -0.592
   99   3HD2  LEU  13          3HD2      LEU  13   0.961 -14.974  -0.126
  100    H    GLY  14           H        GLY  14   0.467 -10.946   2.129
  101   1HA   GLY  14          1HA       GLY  14   1.475 -10.429   4.228
  102   2HA   GLY  14          2HA       GLY  14  -0.124 -10.440   4.967
  103    H    TYR  15           H        TYR  15   0.268  -8.394   5.907
  104    HA   TYR  15           HA       TYR  15   0.253  -6.136   3.989
  105   1HB   TYR  15          1HB       TYR  15  -1.297  -6.457   6.568
  106   2HB   TYR  15          2HB       TYR  15  -1.139  -4.927   5.703
  107    HD1  TYR  15           HD1      TYR  15  -2.098  -4.654   3.439
  108    HD2  TYR  15           HD2      TYR  15  -2.688  -8.244   5.721
  109    HE1  TYR  15           HE1      TYR  15  -3.946  -5.312   1.923
  110    HE2  TYR  15           HE2      TYR  15  -4.535  -8.904   4.204
  111    HH   TYR  15           HH       TYR  15  -5.050  -8.178   1.512
  112    H    GLN  16           H        GLN  16   0.810  -4.022   5.185
  113    HA   GLN  16           HA       GLN  16   3.421  -4.370   6.342
  114   1HB   GLN  16          1HB       GLN  16   2.326  -2.355   4.906
  115   2HB   GLN  16          2HB       GLN  16   2.103  -1.716   6.532
  116   1HG   GLN  16          1HG       GLN  16   4.628  -2.543   6.802
  117   2HG   GLN  16          2HG       GLN  16   4.634  -2.300   5.056
  118   2HE2  GLN  16          2HE2      GLN  16   6.030  -0.658   7.126
  119   1HE2  GLN  16          1HE2      GLN  16   5.427   0.918   6.944
  120    H    LYS  17           H        LYS  17   4.064  -4.150   8.425
  121    HA   LYS  17           HA       LYS  17   1.915  -3.913  10.439
  122   1HB   LYS  17          1HB       LYS  17   3.559  -5.017  11.978
  123   2HB   LYS  17          2HB       LYS  17   3.087  -6.025  10.608
  124   1HG   LYS  17          1HG       LYS  17   5.139  -5.761   9.531
  125   2HG   LYS  17          2HG       LYS  17   5.498  -4.251  10.370
  126   1HD   LYS  17          1HD       LYS  17   5.285  -6.864  11.865
  127   2HD   LYS  17          2HD       LYS  17   6.799  -6.353  11.116
  128   1HE   LYS  17          1HE       LYS  17   7.046  -4.527  12.540
  129   2HE   LYS  17          2HE       LYS  17   5.317  -4.423  12.872
  130   1HZ   LYS  17          1HZ       LYS  17   7.061  -6.645  13.782
  131   2HZ   LYS  17          2HZ       LYS  17   6.634  -5.312  14.744
  132   3HZ   LYS  17          3HZ       LYS  17   5.437  -6.390  14.200
  133    H    ARG  18           H        ARG  18   3.176  -1.655   9.113
  134    HA   ARG  18           HA       ARG  18   3.887  -0.143  11.472
  135   1HB   ARG  18          1HB       ARG  18   5.913  -0.749   9.325
  136   2HB   ARG  18          2HB       ARG  18   6.011   0.725  10.289
  137   1HG   ARG  18          1HG       ARG  18   5.794  -0.837  12.340
  138   2HG   ARG  18          2HG       ARG  18   6.198  -2.137  11.220
  139   1HD   ARG  18          1HD       ARG  18   8.210  -0.710  10.531
  140   2HD   ARG  18          2HD       ARG  18   7.866   0.273  11.950
  141    HE   ARG  18           HE       ARG  18   8.711  -1.435  13.278
  142   1HH1  ARG  18          1HH1      ARG  18   8.083  -2.651  10.055
  143   2HH1  ARG  18          2HH1      ARG  18   8.845  -4.173  10.358
  144   1HH2  ARG  18          1HH2      ARG  18   9.695  -3.434  13.630
  145   2HH2  ARG  18          2HH2      ARG  18   9.750  -4.615  12.365
  146    HA   PRO  19           HA       PRO  19   1.963   2.830   8.818
  147   1HB   PRO  19          1HB       PRO  19   2.363   5.080  10.311
  148   2HB   PRO  19          2HB       PRO  19   1.176   3.827  10.705
  149   1HG   PRO  19          1HG       PRO  19   3.738   4.448  12.021
  150   2HG   PRO  19          2HG       PRO  19   2.323   3.597  12.655
  151   1HD   PRO  19          1HD       PRO  19   4.763   2.431  11.706
  152   2HD   PRO  19          2HD       PRO  19   3.292   1.582  12.239
  153    H    LEU  20           H        LEU  20   2.567   3.839   7.016
  154    HA   LEU  20           HA       LEU  20   5.343   4.719   6.721
  155   1HB   LEU  20          1HB       LEU  20   3.327   4.904   4.530
  156   2HB   LEU  20          2HB       LEU  20   5.045   4.590   4.430
  157    HG   LEU  20           HG       LEU  20   3.395   2.487   5.741
  158   1HD1  LEU  20          1HD1      LEU  20   2.055   3.290   3.744
  159   2HD1  LEU  20          2HD1      LEU  20   3.422   2.825   2.733
  160   3HD1  LEU  20          3HD1      LEU  20   2.561   1.602   3.668
  161   1HD2  LEU  20          1HD2      LEU  20   5.664   2.543   3.731
  162   2HD2  LEU  20          2HD2      LEU  20   5.796   2.184   5.452
  163   3HD2  LEU  20          3HD2      LEU  20   4.947   1.069   4.380
  164    HA   PRO  21           HA       PRO  21   4.036   8.967   7.061
  165   1HB   PRO  21          1HB       PRO  21   6.346  10.170   6.234
  166   2HB   PRO  21          2HB       PRO  21   6.150   9.409   7.821
  167   1HG   PRO  21          1HG       PRO  21   7.683   8.475   5.476
  168   2HG   PRO  21          2HG       PRO  21   7.891   8.081   7.188
  169   1HD   PRO  21          1HD       PRO  21   6.630   6.467   5.192
  170   2HD   PRO  21          2HD       PRO  21   6.707   6.149   6.941
  171    H    GLN  22           H        GLN  22   2.898  10.300   5.743
  172    HA   GLN  22           HA       GLN  22   2.786   9.864   2.926
  173   1HB   GLN  22          1HB       GLN  22   0.921  10.758   4.426
  174   2HB   GLN  22          2HB       GLN  22   1.751  12.313   4.352
  175   1HG   GLN  22          1HG       GLN  22   1.320  10.937   1.754
  176   2HG   GLN  22          2HG       GLN  22  -0.124  11.562   2.550
  177   2HE2  GLN  22          2HE2      GLN  22   1.347  12.585   0.092
  178   1HE2  GLN  22          1HE2      GLN  22   1.690  14.210   0.443
  179    H    VAL  23           H        VAL  23   4.947  11.658   4.856
  180    HA   VAL  23           HA       VAL  23   5.509  13.940   3.408
  181    HB   VAL  23           HB       VAL  23   6.514  13.374   5.592
  182   1HG1  VAL  23          1HG1      VAL  23   7.072  10.946   4.542
  183   2HG1  VAL  23          2HG1      VAL  23   8.637  11.729   4.320
  184   3HG1  VAL  23          3HG1      VAL  23   7.932  11.610   5.932
  185   1HG2  VAL  23          1HG2      VAL  23   7.551  15.013   3.889
  186   2HG2  VAL  23          2HG2      VAL  23   8.584  14.450   5.202
  187   3HG2  VAL  23          3HG2      VAL  23   8.744  13.748   3.593
  188    H    LEU  24           H        LEU  24   6.216  10.624   2.580
  189    HA   LEU  24           HA       LEU  24   7.517  11.604   0.116
  190   1HB   LEU  24          1HB       LEU  24   9.203  10.013   0.178
  191   2HB   LEU  24          2HB       LEU  24   9.125  10.622   1.811
  192    HG   LEU  24           HG       LEU  24   9.432   8.328   2.090
  193   1HD1  LEU  24          1HD1      LEU  24   7.417   9.218   3.328
  194   2HD1  LEU  24          2HD1      LEU  24   6.413   8.513   2.062
  195   3HD1  LEU  24          3HD1      LEU  24   7.417   7.474   3.073
  196   1HD2  LEU  24          1HD2      LEU  24   8.758   8.030  -0.467
  197   2HD2  LEU  24          2HD2      LEU  24   8.732   6.665   0.650
  198   3HD2  LEU  24          3HD2      LEU  24   7.233   7.502   0.245
  199    H    LEU  25           H        LEU  25   4.860  10.023   1.268
  200    HA   LEU  25           HA       LEU  25   4.724   7.903  -0.695
  201   1HB   LEU  25          1HB       LEU  25   3.537   8.230   1.682
  202   2HB   LEU  25          2HB       LEU  25   2.296   8.925   0.670
  203    HG   LEU  25           HG       LEU  25   2.003   6.840  -0.510
  204   1HD1  LEU  25          1HD1      LEU  25   4.590   6.200   0.814
  205   2HD1  LEU  25          2HD1      LEU  25   3.437   4.875   0.657
  206   3HD1  LEU  25          3HD1      LEU  25   3.996   5.731  -0.779
  207   1HD2  LEU  25          1HD2      LEU  25   2.026   6.870   2.475
  208   2HD2  LEU  25          2HD2      LEU  25   0.666   6.701   1.365
  209   3HD2  LEU  25          3HD2      LEU  25   1.725   5.326   1.677
  210    H    SER  26           H        SER  26   2.642   7.854  -2.095
  211    HA   SER  26           HA       SER  26   2.162  10.539  -3.240
  212   1HB   SER  26          1HB       SER  26   3.166   8.095  -4.568
  213   2HB   SER  26          2HB       SER  26   1.899   8.962  -5.430
  214    HG   SER  26           HG       SER  26   4.273   9.586  -5.653
  215    H    SER  27           H        SER  27   0.963   7.279  -4.032
  216    HA   SER  27           HA       SER  27  -1.715   8.016  -3.080
  217   1HB   SER  27          1HB       SER  27  -1.639   6.800  -5.779
  218   2HB   SER  27          2HB       SER  27  -2.779   7.951  -5.095
  219    HG   SER  27           HG       SER  27  -0.445   8.363  -6.487
  220    H    TRP  28           H        TRP  28  -3.174   5.960  -4.008
  221    HA   TRP  28           HA       TRP  28  -1.738   3.463  -3.423
  222   1HB   TRP  28          1HB       TRP  28  -3.595   2.787  -1.857
  223   2HB   TRP  28          2HB       TRP  28  -2.548   4.061  -1.236
  224    HD1  TRP  28           HD1      TRP  28  -3.515   6.556  -1.208
  225    HE1  TRP  28           HE1      TRP  28  -5.933   7.452  -1.195
  226    HE3  TRP  28           HE3      TRP  28  -6.023   2.346  -2.663
  227    HZ2  TRP  28           HZ2      TRP  28  -8.578   6.502  -1.748
  228    HZ3  TRP  28           HZ3      TRP  28  -8.484   2.373  -2.912
  229    HH2  TRP  28           HH2      TRP  28  -9.767   4.443  -2.452
  230    H    TYR  29           H        TYR  29  -2.532   1.730  -4.528
  231    HA   TYR  29           HA       TYR  29  -4.971   2.221  -6.125
  232   1HB   TYR  29          1HB       TYR  29  -4.078   0.976  -7.927
  233   2HB   TYR  29          2HB       TYR  29  -2.765   2.015  -7.392
  234    HD1  TYR  29           HD1      TYR  29  -0.828   1.059  -6.141
  235    HD2  TYR  29           HD2      TYR  29  -3.994  -1.422  -7.656
  236    HE1  TYR  29           HE1      TYR  29   0.600  -0.942  -5.853
  237    HE2  TYR  29           HE2      TYR  29  -2.561  -3.424  -7.364
  238    HH   TYR  29           HH       TYR  29  -0.556  -4.042  -5.856
  239    HA   PRO  30           HA       PRO  30  -6.639  -1.288  -4.011
  240   1HB   PRO  30          1HB       PRO  30  -8.791  -1.783  -5.622
  241   2HB   PRO  30          2HB       PRO  30  -8.702  -0.428  -4.487
  242   1HG   PRO  30          1HG       PRO  30  -8.499  -0.421  -7.438
  243   2HG   PRO  30          2HG       PRO  30  -9.010   0.868  -6.340
  244   1HD   PRO  30          1HD       PRO  30  -6.473   0.624  -7.601
  245   2HD   PRO  30          2HD       PRO  30  -6.917   1.777  -6.321
  246    H    THR  31           H        THR  31  -6.950  -3.559  -4.152
  247    HA   THR  31           HA       THR  31  -5.453  -4.820  -6.334
  248    HB   THR  31           HB       THR  31  -5.947  -6.878  -4.727
  249    HG1  THR  31           HG1      THR  31  -7.311  -5.685  -3.364
  250   1HG2  THR  31          1HG2      THR  31  -3.986  -4.641  -4.154
  251   2HG2  THR  31          2HG2      THR  31  -3.877  -6.267  -3.478
  252   3HG2  THR  31          3HG2      THR  31  -3.719  -6.021  -5.217
  253    H    SER  32           H        SER  32  -6.399  -7.239  -6.636
  254    HA   SER  32           HA       SER  32  -8.903  -6.850  -8.017
  255   1HB   SER  32          1HB       SER  32  -6.918  -9.065  -7.767
  256   2HB   SER  32          2HB       SER  32  -8.556  -9.470  -8.268
  257    HG   SER  32           HG       SER  32  -6.928  -7.458  -9.440
  258    H    GLN  33           H        GLN  33 -10.853  -7.954  -7.621
  259    HA   GLN  33           HA       GLN  33 -11.248  -8.657  -4.797
  260   1HB   GLN  33          1HB       GLN  33 -13.667  -8.362  -5.352
  261   2HB   GLN  33          2HB       GLN  33 -12.710  -6.903  -5.579
  262   1HG   GLN  33          1HG       GLN  33 -12.672  -7.188  -7.950
  263   2HG   GLN  33          2HG       GLN  33 -13.281  -8.839  -7.831
  264   2HE2  GLN  33          2HE2      GLN  33 -14.236  -5.613  -8.340
  265   1HE2  GLN  33          1HE2      GLN  33 -15.900  -5.809  -8.067
  266    H    LEU  34           H        LEU  34  -9.996 -10.573  -6.491
  267    HA   LEU  34           HA       LEU  34 -11.884 -12.760  -6.149
  268   1HB   LEU  34          1HB       LEU  34 -11.271 -13.614  -8.493
  269   2HB   LEU  34          2HB       LEU  34 -12.516 -12.398  -8.343
  270    HG   LEU  34           HG       LEU  34 -10.912 -12.084 -10.259
  271   1HD1  LEU  34          1HD1      LEU  34 -12.193 -10.245  -8.744
  272   2HD1  LEU  34          2HD1      LEU  34 -10.528  -9.696  -8.541
  273   3HD1  LEU  34          3HD1      LEU  34 -11.223  -9.825 -10.156
  274   1HD2  LEU  34          1HD2      LEU  34  -8.998 -11.400  -8.004
  275   2HD2  LEU  34          2HD2      LEU  34  -8.854 -12.777  -9.097
  276   3HD2  LEU  34          3HD2      LEU  34  -8.691 -11.136  -9.720
  277    H    CYS  35           H        CYS  35  -9.708 -12.296  -4.642
  278    HA   CYS  35           HA       CYS  35  -7.693 -14.224  -5.631
  279   1HB   CYS  35          1HB       CYS  35  -7.422 -11.857  -3.778
  280   2HB   CYS  35          2HB       CYS  35  -6.183 -13.106  -3.908
  281    H    SER  36           H        SER  36  -8.548 -12.939  -2.440
  282    HA   SER  36           HA       SER  36  -9.770 -15.247  -1.403
  283   1HB   SER  36          1HB       SER  36  -7.252 -15.958  -1.816
  284   2HB   SER  36          2HB       SER  36  -6.992 -15.086  -0.308
  285    HG   SER  36           HG       SER  36  -7.681 -16.855   0.588
  286    H    LYS  37           H        LYS  37  -7.516 -12.630  -0.686
  287    HA   LYS  37           HA       LYS  37  -9.331 -11.324   1.080
  288   1HB   LYS  37          1HB       LYS  37  -7.945 -11.549   3.154
  289   2HB   LYS  37          2HB       LYS  37  -8.721 -13.056   2.663
  290   1HG   LYS  37          1HG       LYS  37  -6.732 -14.030   2.005
  291   2HG   LYS  37          2HG       LYS  37  -5.988 -12.483   1.598
  292   1HD   LYS  37          1HD       LYS  37  -6.677 -13.075   4.460
  293   2HD   LYS  37          2HD       LYS  37  -5.214 -13.770   3.761
  294   1HE   LYS  37          1HE       LYS  37  -4.452 -11.523   3.100
  295   2HE   LYS  37          2HE       LYS  37  -5.918 -10.820   3.781
  296   1HZ   LYS  37          1HZ       LYS  37  -4.158 -12.517   5.429
  297   2HZ   LYS  37          2HZ       LYS  37  -3.807 -10.870   5.207
  298   3HZ   LYS  37          3HZ       LYS  37  -5.273 -11.339   5.926
  299    HA   PRO  38           HA       PRO  38  -5.674  -8.915  -0.546
  300   1HB   PRO  38          1HB       PRO  38  -6.938  -7.522  -2.523
  301   2HB   PRO  38          2HB       PRO  38  -6.186  -9.104  -2.767
  302   1HG   PRO  38          1HG       PRO  38  -9.049  -8.389  -2.633
  303   2HG   PRO  38          2HG       PRO  38  -8.269  -9.773  -3.410
  304   1HD   PRO  38          1HD       PRO  38  -9.632  -9.758  -0.902
  305   2HD   PRO  38          2HD       PRO  38  -8.698 -11.096  -1.610
  306    H    GLY  39           H        GLY  39  -5.546  -6.438  -0.870
  307   1HA   GLY  39          1HA       GLY  39  -5.981  -4.932   1.239
  308   2HA   GLY  39          2HA       GLY  39  -7.620  -4.958   0.591
  309    H    VAL  40           H        VAL  40  -4.628  -3.412   0.509
  310    HA   VAL  40           HA       VAL  40  -4.872  -2.357  -2.193
  311    HB   VAL  40           HB       VAL  40  -5.095  -0.465   0.162
  312   1HG1  VAL  40          1HG1      VAL  40  -4.040   0.078  -2.240
  313   2HG1  VAL  40          2HG1      VAL  40  -5.745   0.281  -2.640
  314   3HG1  VAL  40          3HG1      VAL  40  -5.018   1.245  -1.355
  315   1HG2  VAL  40          1HG2      VAL  40  -7.174  -1.484  -1.786
  316   2HG2  VAL  40          2HG2      VAL  40  -7.187  -1.656  -0.031
  317   3HG2  VAL  40          3HG2      VAL  40  -7.404  -0.067  -0.763
  318    H    ILE  41           H        ILE  41  -2.967  -1.637  -2.969
  319    HA   ILE  41           HA       ILE  41  -0.668  -1.751  -1.130
  320    HB   ILE  41           HB       ILE  41  -0.929  -2.196  -4.106
  321   1HG1  ILE  41          1HG1      ILE  41   0.381  -4.305  -3.286
  322   2HG1  ILE  41          2HG1      ILE  41  -0.201  -3.825  -1.692
  323   1HG2  ILE  41          1HG2      ILE  41   1.588  -1.773  -2.470
  324   2HG2  ILE  41          2HG2      ILE  41   1.586  -2.602  -4.027
  325   3HG2  ILE  41          3HG2      ILE  41   1.095  -0.910  -3.929
  326   1HD1  ILE  41          1HD1      ILE  41  -2.048  -4.113  -4.068
  327   2HD1  ILE  41          2HD1      ILE  41  -1.693  -5.454  -2.978
  328   3HD1  ILE  41          3HD1      ILE  41  -2.485  -4.003  -2.363
  329    H    PHE  42           H        PHE  42   0.733  -0.063  -0.950
  330    HA   PHE  42           HA       PHE  42  -0.181   2.506  -2.045
  331   1HB   PHE  42          1HB       PHE  42   1.665   1.735   0.209
  332   2HB   PHE  42          2HB       PHE  42   1.676   3.367  -0.458
  333    HD1  PHE  42           HD1      PHE  42  -0.427   0.810   1.215
  334    HD2  PHE  42           HD2      PHE  42  -0.120   4.902  -0.051
  335    HE1  PHE  42           HE1      PHE  42  -2.441   1.374   2.546
  336    HE2  PHE  42           HE2      PHE  42  -2.134   5.467   1.280
  337    HZ   PHE  42           HZ       PHE  42  -3.295   3.702   2.579
  338    H    LEU  43           H        LEU  43   1.453   4.012  -2.871
  339    HA   LEU  43           HA       LEU  43   3.848   2.725  -3.997
  340   1HB   LEU  43          1HB       LEU  43   2.291   4.569  -5.742
  341   2HB   LEU  43          2HB       LEU  43   3.407   3.296  -6.183
  342    HG   LEU  43           HG       LEU  43   1.584   1.668  -5.364
  343   1HD1  LEU  43          1HD1      LEU  43   0.245   4.311  -5.147
  344   2HD1  LEU  43          2HD1      LEU  43  -0.704   3.021  -5.884
  345   3HD1  LEU  43          3HD1      LEU  43  -0.057   2.820  -4.257
  346   1HD2  LEU  43          1HD2      LEU  43   1.152   3.452  -7.779
  347   2HD2  LEU  43          2HD2      LEU  43   2.127   1.983  -7.725
  348   3HD2  LEU  43          3HD2      LEU  43   0.376   1.886  -7.538
  349    H    THR  44           H        THR  44   5.314   3.913  -2.851
  350    HA   THR  44           HA       THR  44   5.023   6.661  -2.210
  351    HB   THR  44           HB       THR  44   7.406   6.587  -1.654
  352    HG1  THR  44           HG1      THR  44   7.298   4.079  -2.969
  353   1HG2  THR  44          1HG2      THR  44   5.526   4.450  -0.825
  354   2HG2  THR  44          2HG2      THR  44   7.219   4.190  -0.408
  355   3HG2  THR  44          3HG2      THR  44   6.386   5.637   0.156
  356    H    LYS  45           H        LYS  45   6.681   8.322  -2.992
  357    HA   LYS  45           HA       LYS  45   6.283   8.804  -5.748
  358   1HB   LYS  45          1HB       LYS  45   8.369   9.999  -3.904
  359   2HB   LYS  45          2HB       LYS  45   7.883  10.650  -5.471
  360   1HG   LYS  45          1HG       LYS  45   5.876  11.431  -4.678
  361   2HG   LYS  45          2HG       LYS  45   5.703  10.116  -3.516
  362   1HD   LYS  45          1HD       LYS  45   6.171  11.864  -2.072
  363   2HD   LYS  45          2HD       LYS  45   7.807  11.289  -2.394
  364   1HE   LYS  45          1HE       LYS  45   7.914  12.962  -4.293
  365   2HE   LYS  45          2HE       LYS  45   6.395  13.630  -3.695
  366   1HZ   LYS  45          1HZ       LYS  45   8.892  13.370  -2.108
  367   2HZ   LYS  45          2HZ       LYS  45   8.329  14.806  -2.814
  368   3HZ   LYS  45          3HZ       LYS  45   7.434  14.063  -1.576
  369    H    ARG  46           H        ARG  46   9.283   8.007  -4.000
  370    HA   ARG  46           HA       ARG  46  10.260   6.655  -6.441
  371   1HB   ARG  46          1HB       ARG  46  11.320   8.912  -6.079
  372   2HB   ARG  46          2HB       ARG  46  11.986   8.274  -4.573
  373   1HG   ARG  46          1HG       ARG  46  13.449   6.859  -5.656
  374   2HG   ARG  46          2HG       ARG  46  12.391   6.662  -7.053
  375   1HD   ARG  46          1HD       ARG  46  13.163   8.567  -8.083
  376   2HD   ARG  46          2HD       ARG  46  13.492   9.385  -6.560
  377    HE   ARG  46           HE       ARG  46  15.271   7.188  -6.906
  378   1HH1  ARG  46          1HH1      ARG  46  14.633  10.429  -8.066
  379   2HH1  ARG  46          2HH1      ARG  46  16.286  10.725  -8.484
  380   1HH2  ARG  46          1HH2      ARG  46  17.413   7.617  -7.466
  381   2HH2  ARG  46          2HH2      ARG  46  17.847   9.148  -8.147
  382    H    GLY  47           H        GLY  47   9.380   6.186  -3.289
  383   1HA   GLY  47          1HA       GLY  47   9.988   4.714  -1.617
  384   2HA   GLY  47          2HA       GLY  47  11.570   4.570  -2.375
  385    H    ARG  48           H        ARG  48   8.620   3.059  -1.778
  386    HA   ARG  48           HA       ARG  48   8.768   1.203  -4.027
  387   1HB   ARG  48          1HB       ARG  48   9.736   0.561  -1.295
  388   2HB   ARG  48          2HB       ARG  48   8.719  -0.656  -2.065
  389   1HG   ARG  48          1HG       ARG  48  10.305  -0.145  -4.146
  390   2HG   ARG  48          2HG       ARG  48  11.420   0.344  -2.869
  391   1HD   ARG  48          1HD       ARG  48  11.507  -1.792  -1.941
  392   2HD   ARG  48          2HD       ARG  48   9.950  -2.260  -2.618
  393    HE   ARG  48           HE       ARG  48  11.536  -1.891  -4.819
  394   1HH1  ARG  48          1HH1      ARG  48  11.821  -3.788  -1.891
  395   2HH1  ARG  48          2HH1      ARG  48  12.764  -5.024  -2.649
  396   1HH2  ARG  48          1HH2      ARG  48  12.767  -3.525  -5.767
  397   2HH2  ARG  48          2HH2      ARG  48  13.296  -4.878  -4.825
  398    H    GLN  49           H        GLN  49   7.170  -0.772  -3.286
  399    HA   GLN  49           HA       GLN  49   4.647   0.594  -2.638
  400   1HB   GLN  49          1HB       GLN  49   5.358  -1.854  -4.213
  401   2HB   GLN  49          2HB       GLN  49   3.753  -1.721  -3.502
  402   1HG   GLN  49          1HG       GLN  49   3.280  -0.623  -5.452
  403   2HG   GLN  49          2HG       GLN  49   3.982   0.750  -4.597
  404   2HE2  GLN  49          2HE2      GLN  49   5.327   1.831  -6.042
  405   1HE2  GLN  49          1HE2      GLN  49   6.432   1.079  -7.087
  406    H    VAL  50           H        VAL  50   3.064  -0.605  -1.332
  407    HA   VAL  50           HA       VAL  50   4.068  -2.702   0.419
  408    HB   VAL  50           HB       VAL  50   3.235  -0.020   1.559
  409   1HG1  VAL  50          1HG1      VAL  50   2.538  -1.990   2.912
  410   2HG1  VAL  50          2HG1      VAL  50   4.214  -2.539   2.937
  411   3HG1  VAL  50          3HG1      VAL  50   3.771  -1.025   3.726
  412   1HG2  VAL  50          1HG2      VAL  50   5.906  -1.433   1.382
  413   2HG2  VAL  50          2HG2      VAL  50   5.483   0.145   0.715
  414   3HG2  VAL  50          3HG2      VAL  50   5.598  -0.072   2.462
  415    H    CYS  51           H        CYS  51   2.458  -3.947   1.222
  416    HA   CYS  51           HA       CYS  51  -0.242  -3.447   0.260
  417   1HB   CYS  51          1HB       CYS  51   0.925  -5.728   1.878
  418   2HB   CYS  51          2HB       CYS  51  -0.732  -5.665   1.279
  419    H    ALA  52           H        ALA  52  -1.878  -2.636   1.448
  420    HA   ALA  52           HA       ALA  52  -1.741  -2.735   4.368
  421   1HB   ALA  52          1HB       ALA  52  -0.812  -0.658   4.396
  422   2HB   ALA  52          2HB       ALA  52  -2.474  -0.142   4.114
  423   3HB   ALA  52          3HB       ALA  52  -1.352  -0.280   2.761
  424    H    ASP  53           H        ASP  53  -3.708  -2.875   5.289
  425    HA   ASP  53           HA       ASP  53  -6.027  -2.934   3.497
  426   1HB   ASP  53          1HB       ASP  53  -5.391  -4.073   6.181
  427   2HB   ASP  53          2HB       ASP  53  -7.079  -3.720   5.813
  428    H    LYS  54           H        LYS  54  -7.764  -1.594   3.681
  429    HA   LYS  54           HA       LYS  54  -7.409   0.984   4.741
  430   1HB   LYS  54          1HB       LYS  54  -9.860   1.256   4.351
  431   2HB   LYS  54          2HB       LYS  54  -9.005   0.595   2.957
  432   1HG   LYS  54          1HG       LYS  54  -9.750  -1.636   3.454
  433   2HG   LYS  54          2HG       LYS  54 -10.390  -1.135   5.020
  434   1HD   LYS  54          1HD       LYS  54 -11.867   0.502   3.637
  435   2HD   LYS  54          2HD       LYS  54 -11.464  -0.537   2.270
  436   1HE   LYS  54          1HE       LYS  54 -12.216  -2.502   3.732
  437   2HE   LYS  54          2HE       LYS  54 -12.907  -1.295   4.815
  438   1HZ   LYS  54          1HZ       LYS  54 -14.023  -0.394   2.726
  439   2HZ   LYS  54          2HZ       LYS  54 -13.631  -1.887   2.014
  440   3HZ   LYS  54          3HZ       LYS  54 -14.634  -1.839   3.380
  441    H    SER  55           H        SER  55  -8.628  -1.949   6.185
  442    HA   SER  55           HA       SER  55 -10.131  -0.922   8.308
  443   1HB   SER  55          1HB       SER  55  -9.086  -3.086   9.476
  444   2HB   SER  55          2HB       SER  55 -10.327  -3.203   8.233
  445    HG   SER  55           HG       SER  55  -7.782  -4.067   8.194
  446    H    LYS  56           H        LYS  56  -6.678  -1.033   7.811
  447    HA   LYS  56           HA       LYS  56  -5.783  -0.739  10.462
  448   1HB   LYS  56          1HB       LYS  56  -4.666  -0.113   7.770
  449   2HB   LYS  56          2HB       LYS  56  -3.891   0.629   9.171
  450   1HG   LYS  56          1HG       LYS  56  -4.525  -2.314   9.171
  451   2HG   LYS  56          2HG       LYS  56  -3.062  -1.718   8.384
  452   1HD   LYS  56          1HD       LYS  56  -2.130  -0.963  10.381
  453   2HD   LYS  56          2HD       LYS  56  -3.699  -0.805  11.171
  454   1HE   LYS  56          1HE       LYS  56  -2.622  -2.731  12.133
  455   2HE   LYS  56          2HE       LYS  56  -3.894  -3.329  11.068
  456   1HZ   LYS  56          1HZ       LYS  56  -1.144  -2.946  10.072
  457   2HZ   LYS  56          2HZ       LYS  56  -1.576  -4.367  10.897
  458   3HZ   LYS  56          3HZ       LYS  56  -2.370  -3.948   9.459
  459    H    ASP  57           H        ASP  57  -4.435   1.467  10.897
  460    HA   ASP  57           HA       ASP  57  -6.514   3.552  10.986
  461   1HB   ASP  57          1HB       ASP  57  -4.097   2.955  12.671
  462   2HB   ASP  57          2HB       ASP  57  -4.816   4.567  12.676
  463    H    TRP  58           H        TRP  58  -2.962   3.370  10.620
  464    HA   TRP  58           HA       TRP  58  -2.727   5.973   9.547
  465   1HB   TRP  58          1HB       TRP  58  -0.476   5.246   8.768
  466   2HB   TRP  58          2HB       TRP  58  -0.770   4.927  10.473
  467    HD1  TRP  58           HD1      TRP  58  -1.058   2.399  11.231
  468    HE1  TRP  58           HE1      TRP  58  -0.346   0.188  10.116
  469    HE3  TRP  58           HE3      TRP  58  -0.248   4.038   6.476
  470    HZ2  TRP  58           HZ2      TRP  58   0.462  -0.768   7.523
  471    HZ3  TRP  58           HZ3      TRP  58   0.492   2.473   4.703
  472    HH2  TRP  58           HH2      TRP  58   0.849   0.076   5.221
  473    H    VAL  59           H        VAL  59  -3.498   2.895   8.104
  474    HA   VAL  59           HA       VAL  59  -2.989   3.620   5.392
  475    HB   VAL  59           HB       VAL  59  -4.991   1.611   6.467
  476   1HG1  VAL  59          1HG1      VAL  59  -3.792   2.171   3.761
  477   2HG1  VAL  59          2HG1      VAL  59  -4.338   0.547   4.176
  478   3HG1  VAL  59          3HG1      VAL  59  -5.480   1.890   4.184
  479   1HG2  VAL  59          1HG2      VAL  59  -2.697   1.217   7.311
  480   2HG2  VAL  59          2HG2      VAL  59  -3.180  -0.030   6.160
  481   3HG2  VAL  59          3HG2      VAL  59  -2.088   1.260   5.656
  482    H    LYS  60           H        LYS  60  -5.706   3.939   7.588
  483    HA   LYS  60           HA       LYS  60  -7.645   4.763   5.689
  484   1HB   LYS  60          1HB       LYS  60  -7.961   4.014   8.158
  485   2HB   LYS  60          2HB       LYS  60  -7.627   5.701   8.547
  486   1HG   LYS  60          1HG       LYS  60  -9.426   6.286   6.802
  487   2HG   LYS  60          2HG       LYS  60  -9.887   4.585   6.882
  488   1HD   LYS  60          1HD       LYS  60 -10.110   4.841   9.380
  489   2HD   LYS  60          2HD       LYS  60  -9.857   6.574   9.168
  490   1HE   LYS  60          1HE       LYS  60 -12.217   6.304   9.188
  491   2HE   LYS  60          2HE       LYS  60 -11.797   6.483   7.484
  492   1HZ   LYS  60          1HZ       LYS  60 -11.989   3.830   8.776
  493   2HZ   LYS  60          2HZ       LYS  60 -13.345   4.592   8.099
  494   3HZ   LYS  60          3HZ       LYS  60 -12.013   4.201   7.118
  495    H    LYS  61           H        LYS  61  -5.399   6.547   7.778
  496    HA   LYS  61           HA       LYS  61  -6.261   9.146   7.112
  497   1HB   LYS  61          1HB       LYS  61  -3.676   8.015   8.144
  498   2HB   LYS  61          2HB       LYS  61  -3.778   9.715   7.686
  499   1HG   LYS  61          1HG       LYS  61  -5.965   8.645   9.403
  500   2HG   LYS  61          2HG       LYS  61  -4.387   8.869  10.160
  501   1HD   LYS  61          1HD       LYS  61  -5.343  10.971  10.478
  502   2HD   LYS  61          2HD       LYS  61  -4.473  11.215   8.963
  503   1HE   LYS  61          1HE       LYS  61  -6.408  11.203   7.688
  504   2HE   LYS  61          2HE       LYS  61  -7.284  10.194   8.840
  505   1HZ   LYS  61          1HZ       LYS  61  -7.359  12.070  10.364
  506   2HZ   LYS  61          2HZ       LYS  61  -6.534  13.038   9.244
  507   3HZ   LYS  61          3HZ       LYS  61  -8.090  12.464   8.882
  508    H    LEU  62           H        LEU  62  -3.692   7.122   5.707
  509    HA   LEU  62           HA       LEU  62  -2.872   8.990   3.738
  510   1HB   LEU  62          1HB       LEU  62  -2.740   5.980   3.762
  511   2HB   LEU  62          2HB       LEU  62  -1.974   6.986   2.553
  512    HG   LEU  62           HG       LEU  62  -1.318   7.418   5.445
  513   1HD1  LEU  62          1HD1      LEU  62  -1.198   4.934   4.810
  514   2HD1  LEU  62          2HD1      LEU  62   0.091   5.394   3.699
  515   3HD1  LEU  62          3HD1      LEU  62   0.283   5.659   5.433
  516   1HD2  LEU  62          1HD2      LEU  62  -0.111   7.920   2.746
  517   2HD2  LEU  62          2HD2      LEU  62  -0.235   9.004   4.132
  518   3HD2  LEU  62          3HD2      LEU  62   0.969   7.715   4.125
  519    H    MET  63           H        MET  63  -5.165   6.301   3.697
  520    HA   MET  63           HA       MET  63  -5.907   6.380   1.002
  521   1HB   MET  63          1HB       MET  63  -7.274   5.492   3.510
  522   2HB   MET  63          2HB       MET  63  -8.208   5.589   2.017
  523   1HG   MET  63          1HG       MET  63  -6.282   4.257   0.937
  524   2HG   MET  63          2HG       MET  63  -5.764   3.909   2.585
  525   1HE   MET  63          1HE       MET  63  -6.911   2.514  -0.105
  526   2HE   MET  63          2HE       MET  63  -8.288   1.441   0.184
  527   3HE   MET  63          3HE       MET  63  -8.555   3.140  -0.195
  528    H    GLN  64           H        GLN  64  -6.884   8.393   3.700
  529    HA   GLN  64           HA       GLN  64  -8.923   9.757   2.108
  530   1HB   GLN  64          1HB       GLN  64  -9.175   9.245   4.597
  531   2HB   GLN  64          2HB       GLN  64  -7.981  10.515   4.874
  532   1HG   GLN  64          1HG       GLN  64  -9.438  12.081   3.550
  533   2HG   GLN  64          2HG       GLN  64 -10.664  10.813   3.498
  534   2HE2  GLN  64          2HE2      GLN  64 -12.162  10.929   5.164
  535   1HE2  GLN  64          1HE2      GLN  64 -11.883  11.639   6.681
  536    H    GLN  65           H        GLN  65  -5.663  10.221   3.299
  537    HA   GLN  65           HA       GLN  65  -5.502  13.020   2.707
  538   1HB   GLN  65          1HB       GLN  65  -3.568  10.874   3.465
  539   2HB   GLN  65          2HB       GLN  65  -2.938  12.363   2.762
  540   1HG   GLN  65          1HG       GLN  65  -4.990  12.783   4.843
  541   2HG   GLN  65          2HG       GLN  65  -3.514  12.018   5.427
  542   2HE2  GLN  65          2HE2      GLN  65  -1.961  13.501   6.071
  543   1HE2  GLN  65          1HE2      GLN  65  -1.774  15.063   5.431
  544    H    LEU  66           H        LEU  66  -4.818  10.047   0.964
  545    HA   LEU  66           HA       LEU  66  -3.870  11.611  -1.354
  546   1HB   LEU  66          1HB       LEU  66  -3.805   8.621  -1.126
  547   2HB   LEU  66          2HB       LEU  66  -2.851   9.657  -2.164
  548    HG   LEU  66           HG       LEU  66  -2.560   9.414   0.840
  549   1HD1  LEU  66          1HD1      LEU  66  -1.763   7.585  -0.971
  550   2HD1  LEU  66          2HD1      LEU  66  -0.398   8.697  -1.077
  551   3HD1  LEU  66          3HD1      LEU  66  -0.820   7.962   0.470
  552   1HD2  LEU  66          1HD2      LEU  66  -1.998  11.627  -0.598
  553   2HD2  LEU  66          2HD2      LEU  66  -1.001  11.103   0.761
  554   3HD2  LEU  66          3HD2      LEU  66  -0.516  10.718  -0.891
  555    HA   PRO  67           HA       PRO  67  -7.647  10.681  -3.432
  556   1HB   PRO  67          1HB       PRO  67  -6.839  10.812  -6.045
  557   2HB   PRO  67          2HB       PRO  67  -7.059  12.226  -5.007
  558   1HG   PRO  67          1HG       PRO  67  -4.555  10.960  -5.943
  559   2HG   PRO  67          2HG       PRO  67  -4.858  12.632  -5.454
  560   1HD   PRO  67          1HD       PRO  67  -3.601  10.624  -3.891
  561   2HD   PRO  67          2HD       PRO  67  -4.148  12.219  -3.324
  562    H    VAL  68           H        VAL  68  -5.427   9.192  -5.765
  563    HA   VAL  68           HA       VAL  68  -5.515   6.535  -5.067
  564    HB   VAL  68           HB       VAL  68  -8.103   7.452  -6.160
  565   1HG1  VAL  68          1HG1      VAL  68  -7.236   6.397  -8.231
  566   2HG1  VAL  68          2HG1      VAL  68  -6.892   4.925  -7.323
  567   3HG1  VAL  68          3HG1      VAL  68  -8.558   5.465  -7.528
  568   1HG2  VAL  68          1HG2      VAL  68  -7.010   5.481  -4.307
  569   2HG2  VAL  68          2HG2      VAL  68  -8.598   6.245  -4.325
  570   3HG2  VAL  68          3HG2      VAL  68  -8.302   4.804  -5.295
  571    H    THR  69           H        THR  69  -4.937   5.099  -6.915
  572    HA   THR  69           HA       THR  69  -4.027   6.509  -9.316
  573    HB   THR  69           HB       THR  69  -2.096   6.657  -7.843
  574    HG1  THR  69           HG1      THR  69  -1.715   4.515  -9.654
  575   1HG2  THR  69          1HG2      THR  69  -3.018   4.409  -6.656
  576   2HG2  THR  69          2HG2      THR  69  -1.759   3.714  -7.677
  577   3HG2  THR  69          3HG2      THR  69  -1.351   4.962  -6.501
  578    H    ALA  70           H        ALA  70  -3.954   5.242 -11.120
  579    HA   ALA  70           HA       ALA  70  -3.819   2.414 -11.134
  580   1HB   ALA  70          1HB       ALA  70  -6.006   1.703 -11.327
  581   2HB   ALA  70          2HB       ALA  70  -6.218   3.030 -10.186
  582   3HB   ALA  70          3HB       ALA  70  -6.579   3.271 -11.895
  583    H    ARG  71           H        ARG  71  -2.437   2.719 -12.844
  584    HA   ARG  71           HA       ARG  71  -3.252   4.260 -15.166
  585   1HB   ARG  71          1HB       ARG  71  -0.792   2.775 -14.341
  586   2HB   ARG  71          2HB       ARG  71  -1.051   3.089 -16.058
  587   1HG   ARG  71          1HG       ARG  71  -1.307   5.280 -13.996
  588   2HG   ARG  71          2HG       ARG  71   0.246   4.875 -14.727
  589   1HD   ARG  71          1HD       ARG  71  -0.626   5.319 -16.949
  590   2HD   ARG  71          2HD       ARG  71  -2.244   5.569 -16.304
  591    HE   ARG  71           HE       ARG  71  -0.083   7.477 -16.313
  592   1HH1  ARG  71          1HH1      ARG  71  -2.998   6.470 -14.656
  593   2HH1  ARG  71          2HH1      ARG  71  -3.297   8.039 -13.992
  594   1HH2  ARG  71          1HH2      ARG  71  -0.511   9.506 -15.426
  595   2HH2  ARG  71          2HH2      ARG  71  -1.903   9.744 -14.423

  No H/Q in entry =         595
  Start of MODEL   13
    1    H1   LEU   1           H1       LEU   1   0.313 -14.318 -15.801
    2    H2   LEU   1           H2       LEU   1  -1.013 -13.525 -15.094
    3    H3   LEU   1           H3       LEU   1  -0.918 -15.218 -15.052
    4    HA   LEU   1           HA       LEU   1  -1.469 -15.468 -17.255
    5   1HB   LEU   1          1HB       LEU   1  -2.869 -13.094 -16.040
    6   2HB   LEU   1          2HB       LEU   1  -3.280 -13.629 -17.670
    7    HG   LEU   1           HG       LEU   1  -3.504 -15.986 -16.631
    8   1HD1  LEU   1          1HD1      LEU   1  -3.120 -14.242 -14.248
    9   2HD1  LEU   1          2HD1      LEU   1  -4.363 -15.487 -14.128
   10   3HD1  LEU   1          3HD1      LEU   1  -2.694 -15.937 -14.481
   11   1HD2  LEU   1          1HD2      LEU   1  -5.344 -14.249 -17.313
   12   2HD2  LEU   1          2HD2      LEU   1  -5.801 -15.627 -16.311
   13   3HD2  LEU   1          3HD2      LEU   1  -5.548 -14.045 -15.573
   14    H    GLY   2           H        GLY   2  -1.293 -11.917 -16.978
   15   1HA   GLY   2          1HA       GLY   2  -0.493 -10.327 -18.451
   16   2HA   GLY   2          2HA       GLY   2  -0.449 -11.581 -19.688
   17    H    ALA   3           H        ALA   3   1.192 -11.800 -16.591
   18    HA   ALA   3           HA       ALA   3   3.786 -11.555 -17.999
   19   1HB   ALA   3          1HB       ALA   3   4.729 -10.496 -16.156
   20   2HB   ALA   3          2HB       ALA   3   3.098  -9.828 -16.145
   21   3HB   ALA   3          3HB       ALA   3   3.523 -11.137 -15.041
   22    H    SER   4           H        SER   4   5.520 -12.575 -16.297
   23    HA   SER   4           HA       SER   4   4.896 -15.401 -16.313
   24   1HB   SER   4          1HB       SER   4   7.274 -15.432 -15.192
   25   2HB   SER   4          2HB       SER   4   7.111 -15.072 -16.908
   26    HG   SER   4           HG       SER   4   7.488 -12.984 -16.519
   27    H    TRP   5           H        TRP   5   6.361 -13.412 -13.764
   28    HA   TRP   5           HA       TRP   5   4.531 -14.665 -11.812
   29   1HB   TRP   5          1HB       TRP   5   6.449 -14.764 -10.204
   30   2HB   TRP   5          2HB       TRP   5   6.628 -15.850 -11.582
   31    HD1  TRP   5           HD1      TRP   5   8.598 -15.439 -13.220
   32    HE1  TRP   5           HE1      TRP   5  10.587 -13.800 -13.247
   33    HE3  TRP   5           HE3      TRP   5   7.159 -12.247  -9.503
   34    HZ2  TRP   5           HZ2      TRP   5  11.453 -11.445 -11.873
   35    HZ3  TRP   5           HZ3      TRP   5   8.583 -10.316  -8.883
   36    HH2  TRP   5           HH2      TRP   5  10.727  -9.911 -10.062
   37    H    HIS   6           H        HIS   6   3.815 -13.355 -10.192
   38    HA   HIS   6           HA       HIS   6   5.007 -10.937  -9.366
   39   1HB   HIS   6          1HB       HIS   6   3.350  -9.342 -10.358
   40   2HB   HIS   6          2HB       HIS   6   4.448 -10.047 -11.543
   41    HD1  HIS   6           HD1      HIS   6   2.055  -9.136 -12.894
   42    HD2  HIS   6           HD2      HIS   6   2.034 -12.809 -10.922
   43    HE1  HIS   6           HE1      HIS   6   0.150 -10.474 -13.891
   44    H    ARG   7           H        ARG   7   4.386 -12.082  -7.440
   45    HA   ARG   7           HA       ARG   7   3.055 -12.401  -5.593
   46   1HB   ARG   7          1HB       ARG   7   1.202 -10.397  -6.900
   47   2HB   ARG   7          2HB       ARG   7   1.260 -10.831  -5.191
   48   1HG   ARG   7          1HG       ARG   7   3.729 -10.076  -5.276
   49   2HG   ARG   7          2HG       ARG   7   3.304  -9.305  -6.804
   50   1HD   ARG   7          1HD       ARG   7   2.790  -7.553  -5.424
   51   2HD   ARG   7          2HD       ARG   7   1.260  -8.414  -5.299
   52    HE   ARG   7           HE       ARG   7   2.767  -9.501  -3.297
   53   1HH1  ARG   7          1HH1      ARG   7   1.925  -6.225  -4.196
   54   2HH1  ARG   7          2HH1      ARG   7   1.992  -5.641  -2.569
   55   1HH2  ARG   7          1HH2      ARG   7   2.843  -8.699  -1.192
   56   2HH2  ARG   7          2HH2      ARG   7   2.507  -7.029  -0.881
   57    HA   PRO   8           HA       PRO   8  -0.010 -15.329  -6.839
   58   1HB   PRO   8          1HB       PRO   8  -1.393 -15.659  -4.505
   59   2HB   PRO   8          2HB       PRO   8   0.239 -16.289  -4.779
   60   1HG   PRO   8          1HG       PRO   8  -0.636 -13.996  -3.125
   61   2HG   PRO   8          2HG       PRO   8   0.805 -15.011  -2.974
   62   1HD   PRO   8          1HD       PRO   8   0.683 -12.402  -4.096
   63   2HD   PRO   8          2HD       PRO   8   2.066 -13.519  -4.151
   64    H    ASP   9           H        ASP   9  -1.570 -14.732  -8.245
   65    HA   ASP   9           HA       ASP   9  -3.546 -13.912  -9.084
   66   1HB   ASP   9          1HB       ASP   9  -4.367 -13.911  -6.169
   67   2HB   ASP   9          2HB       ASP   9  -5.459 -13.769  -7.548
   68    H    LYS  10           H        LYS  10  -1.382 -12.076  -8.250
   69    HA   LYS  10           HA       LYS  10  -0.995  -9.815  -8.133
   70   1HB   LYS  10          1HB       LYS  10  -3.704 -10.007  -9.361
   71   2HB   LYS  10          2HB       LYS  10  -3.169  -8.425  -8.795
   72   1HG   LYS  10          1HG       LYS  10  -1.209 -10.021 -10.372
   73   2HG   LYS  10          2HG       LYS  10  -2.577  -9.338 -11.254
   74   1HD   LYS  10          1HD       LYS  10  -2.049  -7.103 -10.385
   75   2HD   LYS  10          2HD       LYS  10  -0.707  -7.769  -9.454
   76   1HE   LYS  10          1HE       LYS  10   0.385  -7.002 -11.372
   77   2HE   LYS  10          2HE       LYS  10   0.092  -8.693 -11.776
   78   1HZ   LYS  10          1HZ       LYS  10  -2.069  -7.856 -12.780
   79   2HZ   LYS  10          2HZ       LYS  10  -1.392  -6.304 -12.684
   80   3HZ   LYS  10          3HZ       LYS  10  -0.638  -7.502 -13.624
   81    H    CYS  11           H        CYS  11  -2.115 -11.299  -5.775
   82    HA   CYS  11           HA       CYS  11  -3.116  -8.931  -4.310
   83   1HB   CYS  11          1HB       CYS  11  -3.960 -11.818  -3.962
   84   2HB   CYS  11          2HB       CYS  11  -4.405 -10.507  -2.870
   85    H    CYS  12           H        CYS  12  -2.973  -9.622  -1.796
   86    HA   CYS  12           HA       CYS  12  -0.492 -11.034  -1.208
   87   1HB   CYS  12          1HB       CYS  12   0.433  -9.094   0.068
   88   2HB   CYS  12          2HB       CYS  12   0.388  -8.827  -1.674
   89    H    LEU  13           H        LEU  13  -0.890 -12.242   0.507
   90    HA   LEU  13           HA       LEU  13  -3.197 -11.838   2.160
   91   1HB   LEU  13          1HB       LEU  13  -2.204 -13.712   3.507
   92   2HB   LEU  13          2HB       LEU  13  -2.549 -14.080   1.831
   93    HG   LEU  13           HG       LEU  13   0.212 -13.151   2.391
   94   1HD1  LEU  13          1HD1      LEU  13  -0.348 -14.624   4.354
   95   2HD1  LEU  13          2HD1      LEU  13  -0.694 -15.924   3.214
   96   3HD1  LEU  13          3HD1      LEU  13   0.936 -15.263   3.328
   97   1HD2  LEU  13          1HD2      LEU  13  -1.043 -14.217   0.249
   98   2HD2  LEU  13          2HD2      LEU  13   0.684 -14.425   0.539
   99   3HD2  LEU  13          3HD2      LEU  13  -0.447 -15.698   0.997
  100    H    GLY  14           H        GLY  14   0.227 -11.139   2.422
  101   1HA   GLY  14          1HA       GLY  14   1.422 -10.447   4.368
  102   2HA   GLY  14          2HA       GLY  14  -0.116 -10.190   5.188
  103    H    TYR  15           H        TYR  15   0.527  -8.085   5.798
  104    HA   TYR  15           HA       TYR  15   0.589  -6.127   3.577
  105   1HB   TYR  15          1HB       TYR  15  -0.747  -5.868   6.283
  106   2HB   TYR  15          2HB       TYR  15  -0.589  -4.558   5.112
  107    HD1  TYR  15           HD1      TYR  15  -1.908  -8.038   5.494
  108    HD2  TYR  15           HD2      TYR  15  -2.158  -4.309   3.378
  109    HE1  TYR  15           HE1      TYR  15  -3.931  -8.845   4.307
  110    HE2  TYR  15           HE2      TYR  15  -4.181  -5.114   2.192
  111    HH   TYR  15           HH       TYR  15  -6.030  -7.527   3.147
  112    H    GLN  16           H        GLN  16   1.236  -3.859   4.767
  113    HA   GLN  16           HA       GLN  16   3.987  -4.053   5.277
  114   1HB   GLN  16          1HB       GLN  16   2.400  -1.976   4.701
  115   2HB   GLN  16          2HB       GLN  16   2.513  -1.744   6.441
  116   1HG   GLN  16          1HG       GLN  16   4.897  -2.092   4.599
  117   2HG   GLN  16          2HG       GLN  16   4.309  -0.537   5.186
  118   2HE2  GLN  16          2HE2      GLN  16   6.283  -3.263   5.973
  119   1HE2  GLN  16          1HE2      GLN  16   6.628  -2.821   7.576
  120    H    LYS  17           H        LYS  17   1.254  -3.676   7.484
  121    HA   LYS  17           HA       LYS  17   0.999  -4.439   9.659
  122   1HB   LYS  17          1HB       LYS  17   2.928  -6.073   9.181
  123   2HB   LYS  17          2HB       LYS  17   3.967  -4.866   9.940
  124   1HG   LYS  17          1HG       LYS  17   3.364  -6.244  11.746
  125   2HG   LYS  17          2HG       LYS  17   2.215  -4.911  11.868
  126   1HD   LYS  17          1HD       LYS  17   0.708  -6.639  11.966
  127   2HD   LYS  17          2HD       LYS  17   0.826  -6.517  10.210
  128   1HE   LYS  17          1HE       LYS  17   2.449  -8.301  10.124
  129   2HE   LYS  17          2HE       LYS  17   2.586  -8.330  11.882
  130   1HZ   LYS  17          1HZ       LYS  17   0.014  -8.810  10.505
  131   2HZ   LYS  17          2HZ       LYS  17   1.112 -10.068  10.816
  132   3HZ   LYS  17          3HZ       LYS  17   0.438  -9.187  12.102
  133    H    ARG  18           H        ARG  18   3.860  -2.440   8.990
  134    HA   ARG  18           HA       ARG  18   3.279  -0.873  11.412
  135   1HB   ARG  18          1HB       ARG  18   5.720  -1.355   9.773
  136   2HB   ARG  18          2HB       ARG  18   5.555   0.227  10.535
  137   1HG   ARG  18          1HG       ARG  18   5.213  -0.848  12.722
  138   2HG   ARG  18          2HG       ARG  18   5.347  -2.437  11.969
  139   1HD   ARG  18          1HD       ARG  18   7.504  -1.987  12.861
  140   2HD   ARG  18          2HD       ARG  18   7.643  -1.689  11.132
  141    HE   ARG  18           HE       ARG  18   8.061   0.538  11.612
  142   1HH1  ARG  18          1HH1      ARG  18   6.569  -0.982  14.390
  143   2HH1  ARG  18          2HH1      ARG  18   6.774   0.405  15.402
  144   1HH2  ARG  18          1HH2      ARG  18   8.309   2.324  12.966
  145   2HH2  ARG  18          2HH2      ARG  18   7.751   2.263  14.604
  146    HA   PRO  19           HA       PRO  19   1.822   2.446   8.896
  147   1HB   PRO  19          1HB       PRO  19   2.270   4.568  10.557
  148   2HB   PRO  19          2HB       PRO  19   0.999   3.365  10.815
  149   1HG   PRO  19          1HG       PRO  19   3.522   3.755  12.283
  150   2HG   PRO  19          2HG       PRO  19   2.035   2.945  12.795
  151   1HD   PRO  19          1HD       PRO  19   4.456   1.712  11.875
  152   2HD   PRO  19          2HD       PRO  19   2.924   0.909  12.292
  153    H    LEU  20           H        LEU  20   2.519   3.733   7.274
  154    HA   LEU  20           HA       LEU  20   5.368   4.511   7.269
  155   1HB   LEU  20          1HB       LEU  20   3.767   4.680   4.781
  156   2HB   LEU  20          2HB       LEU  20   5.437   4.216   5.008
  157    HG   LEU  20           HG       LEU  20   3.001   2.486   5.501
  158   1HD1  LEU  20          1HD1      LEU  20   4.078   3.070   3.117
  159   2HD1  LEU  20          2HD1      LEU  20   5.201   1.801   3.606
  160   3HD1  LEU  20          3HD1      LEU  20   3.475   1.456   3.496
  161   1HD2  LEU  20          1HD2      LEU  20   5.345   2.329   6.898
  162   2HD2  LEU  20          2HD2      LEU  20   4.329   0.938   6.526
  163   3HD2  LEU  20          3HD2      LEU  20   5.720   1.310   5.510
  164    HA   PRO  21           HA       PRO  21   4.029   8.737   7.330
  165   1HB   PRO  21          1HB       PRO  21   6.333   9.945   6.493
  166   2HB   PRO  21          2HB       PRO  21   6.123   9.236   8.103
  167   1HG   PRO  21          1HG       PRO  21   7.701   8.240   5.814
  168   2HG   PRO  21          2HG       PRO  21   7.893   7.915   7.542
  169   1HD   PRO  21          1HD       PRO  21   6.688   6.204   5.598
  170   2HD   PRO  21          2HD       PRO  21   6.734   5.960   7.360
  171    H    GLN  22           H        GLN  22   2.873   9.986   5.970
  172    HA   GLN  22           HA       GLN  22   2.833   9.508   3.150
  173   1HB   GLN  22          1HB       GLN  22   0.887  10.299   4.590
  174   2HB   GLN  22          2HB       GLN  22   1.639  11.893   4.562
  175   1HG   GLN  22          1HG       GLN  22   1.358  10.547   1.930
  176   2HG   GLN  22          2HG       GLN  22  -0.143  11.066   2.696
  177   2HE2  GLN  22          2HE2      GLN  22   1.206  12.248   0.292
  178   1HE2  GLN  22          1HE2      GLN  22   1.487  13.875   0.685
  179    H    VAL  23           H        VAL  23   4.879  11.391   5.104
  180    HA   VAL  23           HA       VAL  23   5.348  13.719   3.707
  181    HB   VAL  23           HB       VAL  23   6.376  13.148   5.876
  182   1HG1  VAL  23          1HG1      VAL  23   7.012  10.762   4.799
  183   2HG1  VAL  23          2HG1      VAL  23   8.546  11.599   4.557
  184   3HG1  VAL  23          3HG1      VAL  23   7.875  11.441   6.180
  185   1HG2  VAL  23          1HG2      VAL  23   7.352  14.887   4.286
  186   2HG2  VAL  23          2HG2      VAL  23   8.463  14.249   5.498
  187   3HG2  VAL  23          3HG2      VAL  23   8.545  13.669   3.834
  188    H    LEU  24           H        LEU  24   6.140  10.464   2.747
  189    HA   LEU  24           HA       LEU  24   7.461  11.579   0.352
  190   1HB   LEU  24          1HB       LEU  24   9.169  10.011   0.367
  191   2HB   LEU  24          2HB       LEU  24   9.054  10.537   2.026
  192    HG   LEU  24           HG       LEU  24   9.389   8.234   2.198
  193   1HD1  LEU  24          1HD1      LEU  24   7.341   9.035   3.444
  194   2HD1  LEU  24          2HD1      LEU  24   6.368   8.381   2.127
  195   3HD1  LEU  24          3HD1      LEU  24   7.368   7.306   3.101
  196   1HD2  LEU  24          1HD2      LEU  24   8.714   8.080  -0.395
  197   2HD2  LEU  24          2HD2      LEU  24   8.784   6.655   0.642
  198   3HD2  LEU  24          3HD2      LEU  24   7.234   7.427   0.305
  199    H    LEU  25           H        LEU  25   4.806   9.912   1.377
  200    HA   LEU  25           HA       LEU  25   4.736   7.826  -0.593
  201   1HB   LEU  25          1HB       LEU  25   3.370   8.233   1.676
  202   2HB   LEU  25          2HB       LEU  25   2.225   8.920   0.546
  203    HG   LEU  25           HG       LEU  25   2.004   6.809  -0.605
  204   1HD1  LEU  25          1HD1      LEU  25   4.465   6.165   0.947
  205   2HD1  LEU  25          2HD1      LEU  25   3.314   4.851   0.705
  206   3HD1  LEU  25          3HD1      LEU  25   4.007   5.682  -0.686
  207   1HD2  LEU  25          1HD2      LEU  25   1.776   6.909   2.369
  208   2HD2  LEU  25          2HD2      LEU  25   0.515   6.709   1.152
  209   3HD2  LEU  25          3HD2      LEU  25   1.542   5.344   1.591
  210    H    SER  26           H        SER  26   2.796   7.775  -2.155
  211    HA   SER  26           HA       SER  26   2.499  10.427  -3.436
  212   1HB   SER  26          1HB       SER  26   4.035   8.508  -4.519
  213   2HB   SER  26          2HB       SER  26   2.474   8.013  -5.166
  214    HG   SER  26           HG       SER  26   3.527   9.538  -6.510
  215    H    SER  27           H        SER  27   1.205   7.128  -3.908
  216    HA   SER  27           HA       SER  27  -1.487   8.009  -3.250
  217   1HB   SER  27          1HB       SER  27  -0.559   7.790  -6.025
  218   2HB   SER  27          2HB       SER  27  -2.020   6.868  -5.693
  219    HG   SER  27           HG       SER  27  -2.135   9.247  -6.268
  220    H    TRP  28           H        TRP  28  -2.992   6.030  -4.184
  221    HA   TRP  28           HA       TRP  28  -1.686   3.464  -3.597
  222   1HB   TRP  28          1HB       TRP  28  -3.596   2.871  -2.059
  223   2HB   TRP  28          2HB       TRP  28  -2.493   4.084  -1.416
  224    HD1  TRP  28           HD1      TRP  28  -3.331   6.617  -1.352
  225    HE1  TRP  28           HE1      TRP  28  -5.699   7.638  -1.353
  226    HE3  TRP  28           HE3      TRP  28  -6.038   2.575  -2.925
  227    HZ2  TRP  28           HZ2      TRP  28  -8.382   6.842  -1.954
  228    HZ3  TRP  28           HZ3      TRP  28  -8.491   2.738  -3.204
  229    HH2  TRP  28           HH2      TRP  28  -9.667   4.865  -2.718
  230    H    TYR  29           H        TYR  29  -2.582   1.756  -4.681
  231    HA   TYR  29           HA       TYR  29  -5.017   2.340  -6.249
  232   1HB   TYR  29          1HB       TYR  29  -4.155   1.149  -8.129
  233   2HB   TYR  29          2HB       TYR  29  -2.894   2.263  -7.619
  234    HD1  TYR  29           HD1      TYR  29  -0.935   1.376  -6.248
  235    HD2  TYR  29           HD2      TYR  29  -3.820  -1.202  -8.120
  236    HE1  TYR  29           HE1      TYR  29   0.632  -0.530  -6.046
  237    HE2  TYR  29           HE2      TYR  29  -2.250  -3.108  -7.913
  238    HH   TYR  29           HH       TYR  29  -0.274  -3.700  -6.360
  239    HA   PRO  30           HA       PRO  30  -6.496  -1.349  -4.255
  240   1HB   PRO  30          1HB       PRO  30  -8.827  -1.648  -5.645
  241   2HB   PRO  30          2HB       PRO  30  -8.582  -0.422  -4.392
  242   1HG   PRO  30          1HG       PRO  30  -8.735  -0.100  -7.326
  243   2HG   PRO  30          2HG       PRO  30  -9.066   1.074  -6.044
  244   1HD   PRO  30          1HD       PRO  30  -6.704   0.900  -7.634
  245   2HD   PRO  30          2HD       PRO  30  -6.968   1.948  -6.221
  246    H    THR  31           H        THR  31  -6.469  -3.557  -4.537
  247    HA   THR  31           HA       THR  31  -5.686  -4.523  -7.207
  248    HB   THR  31           HB       THR  31  -4.117  -5.108  -5.462
  249    HG1  THR  31           HG1      THR  31  -4.006  -7.169  -5.988
  250   1HG2  THR  31          1HG2      THR  31  -6.621  -5.796  -4.011
  251   2HG2  THR  31          2HG2      THR  31  -5.211  -6.806  -3.696
  252   3HG2  THR  31          3HG2      THR  31  -5.133  -5.068  -3.404
  253    H    SER  32           H        SER  32  -6.385  -6.933  -7.502
  254    HA   SER  32           HA       SER  32  -9.186  -6.959  -7.873
  255   1HB   SER  32          1HB       SER  32  -7.216  -8.414  -8.939
  256   2HB   SER  32          2HB       SER  32  -7.727  -9.549  -7.693
  257    HG   SER  32           HG       SER  32  -9.461  -8.272  -9.547
  258    H    GLN  33           H        GLN  33 -10.830  -8.041  -6.806
  259    HA   GLN  33           HA       GLN  33 -10.211  -8.789  -4.015
  260   1HB   GLN  33          1HB       GLN  33 -11.877  -6.880  -4.603
  261   2HB   GLN  33          2HB       GLN  33 -12.977  -8.192  -5.027
  262   1HG   GLN  33          1HG       GLN  33 -12.607  -9.183  -2.766
  263   2HG   GLN  33          2HG       GLN  33 -11.615  -7.783  -2.349
  264   2HE2  GLN  33          2HE2      GLN  33 -14.514  -8.847  -1.576
  265   1HE2  GLN  33          1HE2      GLN  33 -15.438  -7.424  -1.634
  266    H    LEU  34           H        LEU  34  -9.962 -10.538  -6.401
  267    HA   LEU  34           HA       LEU  34 -11.968 -12.585  -5.661
  268   1HB   LEU  34          1HB       LEU  34 -11.607 -13.510  -7.929
  269   2HB   LEU  34          2HB       LEU  34 -12.324 -11.913  -7.931
  270    HG   LEU  34           HG       LEU  34  -9.731 -11.222  -8.193
  271   1HD1  LEU  34          1HD1      LEU  34  -9.991 -14.068  -9.067
  272   2HD1  LEU  34          2HD1      LEU  34  -8.985 -12.983 -10.027
  273   3HD1  LEU  34          3HD1      LEU  34  -8.622 -13.244  -8.322
  274   1HD2  LEU  34          1HD2      LEU  34 -11.668 -12.114 -10.341
  275   2HD2  LEU  34          2HD2      LEU  34 -11.462 -10.484  -9.698
  276   3HD2  LEU  34          3HD2      LEU  34 -10.188 -11.214 -10.675
  277    H    CYS  35           H        CYS  35  -9.444 -12.088  -4.340
  278    HA   CYS  35           HA       CYS  35  -7.821 -14.402  -5.173
  279   1HB   CYS  35          1HB       CYS  35  -7.200 -12.055  -3.371
  280   2HB   CYS  35          2HB       CYS  35  -6.115 -13.427  -3.599
  281    H    SER  36           H        SER  36  -8.412 -12.882  -2.025
  282    HA   SER  36           HA       SER  36  -9.914 -14.937  -0.851
  283   1HB   SER  36          1HB       SER  36  -8.005 -16.399  -1.138
  284   2HB   SER  36          2HB       SER  36  -6.927 -15.198  -0.434
  285    HG   SER  36           HG       SER  36  -7.451 -16.606   1.183
  286    H    LYS  37           H        LYS  37  -7.321 -12.599  -0.384
  287    HA   LYS  37           HA       LYS  37  -8.871 -11.151   1.569
  288   1HB   LYS  37          1HB       LYS  37  -7.170 -11.323   3.383
  289   2HB   LYS  37          2HB       LYS  37  -7.980 -12.856   3.058
  290   1HG   LYS  37          1HG       LYS  37  -5.977 -13.225   1.387
  291   2HG   LYS  37          2HG       LYS  37  -5.174 -12.021   2.395
  292   1HD   LYS  37          1HD       LYS  37  -6.583 -14.336   3.692
  293   2HD   LYS  37          2HD       LYS  37  -4.969 -14.565   3.018
  294   1HE   LYS  37          1HE       LYS  37  -3.974 -13.161   4.558
  295   2HE   LYS  37          2HE       LYS  37  -5.425 -12.179   4.758
  296   1HZ   LYS  37          1HZ       LYS  37  -6.416 -14.249   5.816
  297   2HZ   LYS  37          2HZ       LYS  37  -4.822 -14.830   5.918
  298   3HZ   LYS  37          3HZ       LYS  37  -5.262 -13.397   6.720
  299    HA   PRO  38           HA       PRO  38  -5.580  -8.801  -0.760
  300   1HB   PRO  38          1HB       PRO  38  -7.205  -7.413  -2.459
  301   2HB   PRO  38          2HB       PRO  38  -6.525  -9.004  -2.832
  302   1HG   PRO  38          1HG       PRO  38  -9.300  -8.267  -2.133
  303   2HG   PRO  38          2HG       PRO  38  -8.699  -9.663  -3.039
  304   1HD   PRO  38          1HD       PRO  38  -9.533  -9.624  -0.310
  305   2HD   PRO  38          2HD       PRO  38  -8.757 -10.972  -1.175
  306    H    GLY  39           H        GLY  39  -5.959  -6.225  -1.447
  307   1HA   GLY  39          1HA       GLY  39  -5.921  -4.768   0.906
  308   2HA   GLY  39          2HA       GLY  39  -7.587  -4.699   0.336
  309    H    VAL  40           H        VAL  40  -4.691  -3.133   0.261
  310    HA   VAL  40           HA       VAL  40  -4.910  -2.143  -2.487
  311    HB   VAL  40           HB       VAL  40  -5.003  -0.221  -0.153
  312   1HG1  VAL  40          1HG1      VAL  40  -4.092   0.224  -2.649
  313   2HG1  VAL  40          2HG1      VAL  40  -5.812   0.494  -2.918
  314   3HG1  VAL  40          3HG1      VAL  40  -4.947   1.446  -1.712
  315   1HG2  VAL  40          1HG2      VAL  40  -7.185  -1.391  -1.875
  316   2HG2  VAL  40          2HG2      VAL  40  -7.136  -1.239  -0.118
  317   3HG2  VAL  40          3HG2      VAL  40  -7.362   0.194  -1.121
  318    H    ILE  41           H        ILE  41  -3.012  -1.421  -3.300
  319    HA   ILE  41           HA       ILE  41  -0.678  -1.610  -1.514
  320    HB   ILE  41           HB       ILE  41  -1.002  -1.997  -4.492
  321   1HG1  ILE  41          1HG1      ILE  41   0.206  -4.158  -3.804
  322   2HG1  ILE  41          2HG1      ILE  41  -0.142  -3.680  -2.143
  323   1HG2  ILE  41          1HG2      ILE  41   1.061  -0.667  -4.123
  324   2HG2  ILE  41          2HG2      ILE  41   1.603  -1.851  -2.932
  325   3HG2  ILE  41          3HG2      ILE  41   1.443  -2.315  -4.626
  326   1HD1  ILE  41          1HD1      ILE  41  -2.412  -3.576  -4.065
  327   2HD1  ILE  41          2HD1      ILE  41  -1.847  -5.177  -3.590
  328   3HD1  ILE  41          3HD1      ILE  41  -2.400  -4.038  -2.363
  329    H    PHE  42           H        PHE  42   0.564   0.113  -1.133
  330    HA   PHE  42           HA       PHE  42  -0.267   2.691  -2.224
  331   1HB   PHE  42          1HB       PHE  42   1.468   1.794   0.043
  332   2HB   PHE  42          2HB       PHE  42   1.745   3.394  -0.645
  333    HD1  PHE  42           HD1      PHE  42   0.012   5.130  -0.558
  334    HD2  PHE  42           HD2      PHE  42  -0.605   1.259   1.201
  335    HE1  PHE  42           HE1      PHE  42  -1.950   6.006   0.680
  336    HE2  PHE  42           HE2      PHE  42  -2.566   2.137   2.439
  337    HZ   PHE  42           HZ       PHE  42  -3.238   4.508   2.180
  338    H    LEU  43           H        LEU  43   1.397   4.210  -2.993
  339    HA   LEU  43           HA       LEU  43   3.725   2.907  -4.243
  340   1HB   LEU  43          1HB       LEU  43   1.890   4.809  -5.694
  341   2HB   LEU  43          2HB       LEU  43   3.308   4.018  -6.346
  342    HG   LEU  43           HG       LEU  43   1.083   2.309  -5.316
  343   1HD1  LEU  43          1HD1      LEU  43   0.962   4.167  -7.639
  344   2HD1  LEU  43          2HD1      LEU  43   0.381   2.524  -7.909
  345   3HD1  LEU  43          3HD1      LEU  43  -0.344   3.518  -6.647
  346   1HD2  LEU  43          1HD2      LEU  43   3.479   1.750  -6.425
  347   2HD2  LEU  43          2HD2      LEU  43   2.068   0.715  -6.647
  348   3HD2  LEU  43          3HD2      LEU  43   2.509   1.881  -7.893
  349    H    THR  44           H        THR  44   5.203   3.936  -2.938
  350    HA   THR  44           HA       THR  44   5.050   6.656  -2.166
  351    HB   THR  44           HB       THR  44   7.399   6.412  -1.529
  352    HG1  THR  44           HG1      THR  44   7.196   3.977  -2.966
  353   1HG2  THR  44          1HG2      THR  44   5.408   4.275  -0.923
  354   2HG2  THR  44          2HG2      THR  44   7.063   4.031  -0.365
  355   3HG2  THR  44          3HG2      THR  44   6.157   5.452   0.157
  356    H    LYS  45           H        LYS  45   6.698   8.314  -2.815
  357    HA   LYS  45           HA       LYS  45   6.455   8.944  -5.544
  358   1HB   LYS  45          1HB       LYS  45   8.503   9.953  -3.552
  359   2HB   LYS  45          2HB       LYS  45   8.129  10.701  -5.105
  360   1HG   LYS  45          1HG       LYS  45   6.070  11.475  -4.399
  361   2HG   LYS  45          2HG       LYS  45   5.861  10.167  -3.235
  362   1HD   LYS  45          1HD       LYS  45   6.261  12.155  -1.954
  363   2HD   LYS  45          2HD       LYS  45   7.751  11.212  -1.893
  364   1HE   LYS  45          1HE       LYS  45   8.525  12.580  -3.914
  365   2HE   LYS  45          2HE       LYS  45   7.164  13.650  -3.580
  366   1HZ   LYS  45          1HZ       LYS  45   9.320  12.951  -1.661
  367   2HZ   LYS  45          2HZ       LYS  45   9.192  14.416  -2.505
  368   3HZ   LYS  45          3HZ       LYS  45   8.014  13.996  -1.354
  369    H    ARG  46           H        ARG  46   9.376   7.935  -3.762
  370    HA   ARG  46           HA       ARG  46  10.389   6.736  -6.269
  371   1HB   ARG  46          1HB       ARG  46  11.466   8.968  -5.454
  372   2HB   ARG  46          2HB       ARG  46  12.235   7.939  -4.245
  373   1HG   ARG  46          1HG       ARG  46  12.971   6.439  -6.166
  374   2HG   ARG  46          2HG       ARG  46  12.443   7.724  -7.255
  375   1HD   ARG  46          1HD       ARG  46  14.681   8.280  -6.968
  376   2HD   ARG  46          2HD       ARG  46  13.926   9.248  -5.707
  377    HE   ARG  46           HE       ARG  46  14.525   6.861  -4.477
  378   1HH1  ARG  46          1HH1      ARG  46  16.346   9.262  -6.262
  379   2HH1  ARG  46          2HH1      ARG  46  17.813   8.954  -5.399
  380   1HH2  ARG  46          1HH2      ARG  46  16.460   6.493  -3.378
  381   2HH2  ARG  46          2HH2      ARG  46  17.878   7.400  -3.780
  382    H    GLY  47           H        GLY  47   9.382   6.052  -3.185
  383   1HA   GLY  47          1HA       GLY  47   9.864   4.416  -1.635
  384   2HA   GLY  47          2HA       GLY  47  11.467   4.273  -2.346
  385    H    ARG  48           H        ARG  48   8.482   2.806  -1.947
  386    HA   ARG  48           HA       ARG  48   8.588   1.173  -4.362
  387   1HB   ARG  48          1HB       ARG  48   9.624   0.265  -1.746
  388   2HB   ARG  48          2HB       ARG  48   8.515  -0.855  -2.536
  389   1HG   ARG  48          1HG       ARG  48   9.977  -0.340  -4.668
  390   2HG   ARG  48          2HG       ARG  48  11.184   0.146  -3.476
  391   1HD   ARG  48          1HD       ARG  48   9.746  -2.485  -3.213
  392   2HD   ARG  48          2HD       ARG  48  11.150  -2.334  -4.265
  393    HE   ARG  48           HE       ARG  48  11.158  -2.369  -1.381
  394   1HH1  ARG  48          1HH1      ARG  48  12.849  -1.247  -4.233
  395   2HH1  ARG  48          2HH1      ARG  48  14.376  -1.147  -3.427
  396   1HH2  ARG  48          1HH2      ARG  48  13.168  -2.224  -0.368
  397   2HH2  ARG  48          2HH2      ARG  48  14.557  -1.695  -1.258
  398    H    GLN  49           H        GLN  49   6.977  -0.860  -3.764
  399    HA   GLN  49           HA       GLN  49   4.445   0.468  -3.146
  400   1HB   GLN  49          1HB       GLN  49   5.250  -2.004  -4.598
  401   2HB   GLN  49          2HB       GLN  49   3.675  -2.011  -3.803
  402   1HG   GLN  49          1HG       GLN  49   3.057  -1.085  -5.824
  403   2HG   GLN  49          2HG       GLN  49   3.499   0.389  -4.963
  404   2HE2  GLN  49          2HE2      GLN  49   5.859   1.106  -5.276
  405   1HE2  GLN  49          1HE2      GLN  49   6.575   0.811  -6.786
  406    H    VAL  50           H        VAL  50   2.880  -0.581  -1.719
  407    HA   VAL  50           HA       VAL  50   3.914  -2.533   0.190
  408    HB   VAL  50           HB       VAL  50   3.041   0.220   1.103
  409   1HG1  VAL  50          1HG1      VAL  50   2.461  -1.755   2.593
  410   2HG1  VAL  50          2HG1      VAL  50   4.193  -2.060   2.731
  411   3HG1  VAL  50          3HG1      VAL  50   3.511  -0.548   3.330
  412   1HG2  VAL  50          1HG2      VAL  50   5.744  -1.137   0.994
  413   2HG2  VAL  50          2HG2      VAL  50   5.268   0.367   0.206
  414   3HG2  VAL  50          3HG2      VAL  50   5.421   0.302   1.962
  415    H    CYS  51           H        CYS  51   2.345  -3.838   0.875
  416    HA   CYS  51           HA       CYS  51  -0.390  -3.389   0.028
  417   1HB   CYS  51          1HB       CYS  51   1.096  -5.608   1.392
  418   2HB   CYS  51          2HB       CYS  51  -0.662  -5.559   1.514
  419    H    ALA  52           H        ALA  52  -1.745  -2.138   1.171
  420    HA   ALA  52           HA       ALA  52  -1.382  -2.037   4.114
  421   1HB   ALA  52          1HB       ALA  52  -0.905   0.096   2.797
  422   2HB   ALA  52          2HB       ALA  52  -2.632   0.145   2.447
  423   3HB   ALA  52          3HB       ALA  52  -2.066   0.233   4.115
  424    H    ASP  53           H        ASP  53  -3.173  -2.173   5.407
  425    HA   ASP  53           HA       ASP  53  -5.632  -3.121   4.083
  426   1HB   ASP  53          1HB       ASP  53  -4.320  -3.679   6.693
  427   2HB   ASP  53          2HB       ASP  53  -6.084  -3.667   6.677
  428    H    LYS  54           H        LYS  54  -7.410  -1.910   4.094
  429    HA   LYS  54           HA       LYS  54  -7.445   0.745   5.021
  430   1HB   LYS  54          1HB       LYS  54  -9.908   0.630   4.615
  431   2HB   LYS  54          2HB       LYS  54  -8.949   0.045   3.255
  432   1HG   LYS  54          1HG       LYS  54  -9.366  -2.245   3.831
  433   2HG   LYS  54          2HG       LYS  54 -10.059  -1.792   5.389
  434   1HD   LYS  54          1HD       LYS  54 -11.714  -0.388   3.848
  435   2HD   LYS  54          2HD       LYS  54 -11.258  -1.605   2.656
  436   1HE   LYS  54          1HE       LYS  54 -11.990  -3.396   4.099
  437   2HE   LYS  54          2HE       LYS  54 -12.243  -2.278   5.440
  438   1HZ   LYS  54          1HZ       LYS  54 -13.682  -2.071   2.857
  439   2HZ   LYS  54          2HZ       LYS  54 -14.290  -2.923   4.191
  440   3HZ   LYS  54          3HZ       LYS  54 -14.024  -1.249   4.304
  441    H    SER  55           H        SER  55  -8.284  -2.264   6.583
  442    HA   SER  55           HA       SER  55  -9.909  -1.326   8.667
  443   1HB   SER  55          1HB       SER  55  -7.958  -3.456   9.320
  444   2HB   SER  55          2HB       SER  55  -9.698  -3.407   9.571
  445    HG   SER  55           HG       SER  55  -9.266  -4.859   7.935
  446    H    LYS  56           H        LYS  56  -6.449  -1.166   8.200
  447    HA   LYS  56           HA       LYS  56  -5.638  -0.645  10.846
  448   1HB   LYS  56          1HB       LYS  56  -4.497   0.014   8.149
  449   2HB   LYS  56          2HB       LYS  56  -3.764   0.690   9.604
  450   1HG   LYS  56          1HG       LYS  56  -4.305  -2.266   9.210
  451   2HG   LYS  56          2HG       LYS  56  -2.752  -1.500   8.874
  452   1HD   LYS  56          1HD       LYS  56  -2.914  -0.589  11.298
  453   2HD   LYS  56          2HD       LYS  56  -4.148  -1.829  11.526
  454   1HE   LYS  56          1HE       LYS  56  -2.548  -3.559  10.790
  455   2HE   LYS  56          2HE       LYS  56  -1.312  -2.321  10.568
  456   1HZ   LYS  56          1HZ       LYS  56  -2.692  -2.626  13.157
  457   2HZ   LYS  56          2HZ       LYS  56  -1.369  -3.616  12.763
  458   3HZ   LYS  56          3HZ       LYS  56  -1.175  -1.933  12.830
  459    H    ASP  57           H        ASP  57  -4.478   1.656  11.200
  460    HA   ASP  57           HA       ASP  57  -6.670   3.622  11.013
  461   1HB   ASP  57          1HB       ASP  57  -5.447   4.793  12.858
  462   2HB   ASP  57          2HB       ASP  57  -6.005   3.178  13.293
  463    H    TRP  58           H        TRP  58  -3.160   3.268  10.605
  464    HA   TRP  58           HA       TRP  58  -2.780   5.934   9.647
  465   1HB   TRP  58          1HB       TRP  58  -0.545   5.163   8.953
  466   2HB   TRP  58          2HB       TRP  58  -0.909   4.707  10.614
  467    HD1  TRP  58           HD1      TRP  58  -1.372   2.130  11.120
  468    HE1  TRP  58           HE1      TRP  58  -0.722  -0.004   9.832
  469    HE3  TRP  58           HE3      TRP  58  -0.223   4.156   6.585
  470    HZ2  TRP  58           HZ2      TRP  58   0.171  -0.757   7.204
  471    HZ3  TRP  58           HZ3      TRP  58   0.526   2.719   4.710
  472    HH2  TRP  58           HH2      TRP  58   0.721   0.269   5.016
  473    H    VAL  59           H        VAL  59  -3.683   2.912   8.167
  474    HA   VAL  59           HA       VAL  59  -3.112   3.712   5.466
  475    HB   VAL  59           HB       VAL  59  -5.007   1.566   6.457
  476   1HG1  VAL  59          1HG1      VAL  59  -3.987   2.427   3.801
  477   2HG1  VAL  59          2HG1      VAL  59  -4.012   0.689   4.096
  478   3HG1  VAL  59          3HG1      VAL  59  -5.500   1.625   4.218
  479   1HG2  VAL  59          1HG2      VAL  59  -2.721   1.276   7.347
  480   2HG2  VAL  59          2HG2      VAL  59  -3.082   0.049   6.132
  481   3HG2  VAL  59          3HG2      VAL  59  -2.067   1.429   5.717
  482    H    LYS  60           H        LYS  60  -5.844   3.917   7.651
  483    HA   LYS  60           HA       LYS  60  -7.835   4.598   5.758
  484   1HB   LYS  60          1HB       LYS  60  -7.920   4.031   8.381
  485   2HB   LYS  60          2HB       LYS  60  -7.977   5.790   8.478
  486   1HG   LYS  60          1HG       LYS  60  -9.921   5.873   7.040
  487   2HG   LYS  60          2HG       LYS  60  -9.805   4.143   6.710
  488   1HD   LYS  60          1HD       LYS  60 -11.351   4.021   8.397
  489   2HD   LYS  60          2HD       LYS  60  -9.907   4.072   9.409
  490   1HE   LYS  60          1HE       LYS  60 -11.296   5.754  10.320
  491   2HE   LYS  60          2HE       LYS  60 -10.162   6.644   9.305
  492   1HZ   LYS  60          1HZ       LYS  60 -12.842   5.738   8.408
  493   2HZ   LYS  60          2HZ       LYS  60 -12.512   7.298   8.994
  494   3HZ   LYS  60          3HZ       LYS  60 -11.772   6.754   7.568
  495    H    LYS  61           H        LYS  61  -5.652   6.570   7.746
  496    HA   LYS  61           HA       LYS  61  -6.638   9.096   6.974
  497   1HB   LYS  61          1HB       LYS  61  -4.874   8.406   8.810
  498   2HB   LYS  61          2HB       LYS  61  -3.719   8.710   7.511
  499   1HG   LYS  61          1HG       LYS  61  -3.903  10.816   8.529
  500   2HG   LYS  61          2HG       LYS  61  -5.042  10.937   7.187
  501   1HD   LYS  61          1HD       LYS  61  -6.776  10.016   8.924
  502   2HD   LYS  61          2HD       LYS  61  -5.608  10.581  10.117
  503   1HE   LYS  61          1HE       LYS  61  -6.806  12.529   9.879
  504   2HE   LYS  61          2HE       LYS  61  -5.673  12.760   8.547
  505   1HZ   LYS  61          1HZ       LYS  61  -7.374  11.554   7.145
  506   2HZ   LYS  61          2HZ       LYS  61  -8.462  11.778   8.427
  507   3HZ   LYS  61          3HZ       LYS  61  -7.785  13.125   7.644
  508    H    LEU  62           H        LEU  62  -4.051   7.080   5.611
  509    HA   LEU  62           HA       LEU  62  -3.199   8.883   3.612
  510   1HB   LEU  62          1HB       LEU  62  -3.200   5.871   3.634
  511   2HB   LEU  62          2HB       LEU  62  -2.381   6.849   2.437
  512    HG   LEU  62           HG       LEU  62  -1.716   7.302   5.313
  513   1HD1  LEU  62          1HD1      LEU  62  -1.031   4.873   3.668
  514   2HD1  LEU  62          2HD1      LEU  62   0.071   5.458   4.914
  515   3HD1  LEU  62          3HD1      LEU  62  -1.562   4.954   5.347
  516   1HD2  LEU  62          1HD2      LEU  62  -0.496   7.633   2.610
  517   2HD2  LEU  62          2HD2      LEU  62  -0.434   8.706   4.009
  518   3HD2  LEU  62          3HD2      LEU  62   0.602   7.280   3.945
  519    H    MET  63           H        MET  63  -5.656   6.349   3.629
  520    HA   MET  63           HA       MET  63  -6.388   6.372   0.936
  521   1HB   MET  63          1HB       MET  63  -7.933   5.813   3.453
  522   2HB   MET  63          2HB       MET  63  -8.724   5.774   1.879
  523   1HG   MET  63          1HG       MET  63  -6.472   4.305   1.363
  524   2HG   MET  63          2HG       MET  63  -6.759   3.895   3.053
  525   1HE   MET  63          1HE       MET  63  -7.243   3.544  -0.322
  526   2HE   MET  63          2HE       MET  63  -7.351   1.817   0.043
  527   3HE   MET  63          3HE       MET  63  -8.716   2.652  -0.694
  528    H    GLN  64           H        GLN  64  -7.288   8.548   3.545
  529    HA   GLN  64           HA       GLN  64  -9.150  10.018   1.843
  530   1HB   GLN  64          1HB       GLN  64  -9.458   9.594   4.366
  531   2HB   GLN  64          2HB       GLN  64  -8.248  10.857   4.590
  532   1HG   GLN  64          1HG       GLN  64 -10.596  11.347   2.778
  533   2HG   GLN  64          2HG       GLN  64 -10.785  11.518   4.524
  534   2HE2  GLN  64          2HE2      GLN  64 -10.560  13.549   2.147
  535   1HE2  GLN  64          1HE2      GLN  64  -9.417  14.670   2.714
  536    H    GLN  65           H        GLN  65  -5.956  10.387   3.279
  537    HA   GLN  65           HA       GLN  65  -5.559  13.108   2.560
  538   1HB   GLN  65          1HB       GLN  65  -3.803  10.855   3.429
  539   2HB   GLN  65          2HB       GLN  65  -3.048  12.272   2.701
  540   1HG   GLN  65          1HG       GLN  65  -4.764  13.489   4.409
  541   2HG   GLN  65          2HG       GLN  65  -4.451  12.002   5.304
  542   2HE2  GLN  65          2HE2      GLN  65  -3.393  15.061   5.267
  543   1HE2  GLN  65          1HE2      GLN  65  -1.741  14.835   5.588
  544    H    LEU  66           H        LEU  66  -4.683  10.048   1.024
  545    HA   LEU  66           HA       LEU  66  -3.725  11.469  -1.362
  546   1HB   LEU  66          1HB       LEU  66  -3.613   8.575  -0.519
  547   2HB   LEU  66          2HB       LEU  66  -3.125   9.126  -2.106
  548    HG   LEU  66           HG       LEU  66  -1.337  10.473  -1.107
  549   1HD1  LEU  66          1HD1      LEU  66  -2.755   9.680   1.393
  550   2HD1  LEU  66          2HD1      LEU  66  -0.996   9.761   1.463
  551   3HD1  LEU  66          3HD1      LEU  66  -1.926  11.186   1.001
  552   1HD2  LEU  66          1HD2      LEU  66  -1.598   7.547  -0.556
  553   2HD2  LEU  66          2HD2      LEU  66  -0.449   8.394  -1.590
  554   3HD2  LEU  66          3HD2      LEU  66  -0.224   8.392   0.158
  555    HA   PRO  67           HA       PRO  67  -7.560  10.540  -3.372
  556   1HB   PRO  67          1HB       PRO  67  -6.815  10.931  -5.978
  557   2HB   PRO  67          2HB       PRO  67  -7.099  12.244  -4.825
  558   1HG   PRO  67          1HG       PRO  67  -4.542  11.206  -5.895
  559   2HG   PRO  67          2HG       PRO  67  -4.934  12.816  -5.276
  560   1HD   PRO  67          1HD       PRO  67  -3.531  10.774  -3.889
  561   2HD   PRO  67          2HD       PRO  67  -4.161  12.286  -3.193
  562    H    VAL  68           H        VAL  68  -5.488   9.391  -6.006
  563    HA   VAL  68           HA       VAL  68  -5.226   6.717  -5.470
  564    HB   VAL  68           HB       VAL  68  -8.003   7.312  -5.757
  565   1HG1  VAL  68          1HG1      VAL  68  -7.595   7.155  -8.252
  566   2HG1  VAL  68          2HG1      VAL  68  -7.132   5.473  -7.993
  567   3HG1  VAL  68          3HG1      VAL  68  -8.768   6.007  -7.607
  568   1HG2  VAL  68          1HG2      VAL  68  -6.650   5.490  -4.479
  569   2HG2  VAL  68          2HG2      VAL  68  -8.271   5.101  -5.056
  570   3HG2  VAL  68          3HG2      VAL  68  -6.859   4.542  -5.953
  571    H    THR  69           H        THR  69  -3.955   5.878  -7.009
  572    HA   THR  69           HA       THR  69  -3.433   7.494  -9.375
  573    HB   THR  69           HB       THR  69  -1.506   6.634  -8.177
  574    HG1  THR  69           HG1      THR  69  -1.028   6.676 -10.271
  575   1HG2  THR  69          1HG2      THR  69  -3.102   4.151  -8.243
  576   2HG2  THR  69          2HG2      THR  69  -1.382   3.931  -8.566
  577   3HG2  THR  69          3HG2      THR  69  -1.907   4.693  -7.065
  578    H    ALA  70           H        ALA  70  -3.030   6.258 -11.465
  579    HA   ALA  70           HA       ALA  70  -5.463   4.816 -12.121
  580   1HB   ALA  70          1HB       ALA  70  -4.106   6.589 -13.556
  581   2HB   ALA  70          2HB       ALA  70  -3.238   5.147 -14.085
  582   3HB   ALA  70          3HB       ALA  70  -4.979   5.267 -14.331
  583    H    ARG  71           H        ARG  71  -4.809   3.044 -14.005
  584    HA   ARG  71           HA       ARG  71  -3.290   1.008 -12.501
  585   1HB   ARG  71          1HB       ARG  71  -5.389   0.756 -14.664
  586   2HB   ARG  71          2HB       ARG  71  -4.465  -0.607 -14.033
  587   1HG   ARG  71          1HG       ARG  71  -5.542  -0.581 -12.004
  588   2HG   ARG  71          2HG       ARG  71  -5.776   1.168 -12.033
  589   1HD   ARG  71          1HD       ARG  71  -7.597   0.986 -13.579
  590   2HD   ARG  71          2HD       ARG  71  -7.251  -0.712 -13.884
  591    HE   ARG  71           HE       ARG  71  -7.762  -0.566 -11.177
  592   1HH1  ARG  71          1HH1      ARG  71  -9.485   0.284 -14.103
  593   2HH1  ARG  71          2HH1      ARG  71 -11.041   0.007 -13.401
  594   1HH2  ARG  71          1HH2      ARG  71  -9.810  -0.917 -10.302
  595   2HH2  ARG  71          2HH2      ARG  71 -11.226  -0.668 -11.268

  No H/Q in entry =         595
  Start of MODEL   14
    1    H1   LEU   1           H1       LEU   1 -16.891 -17.343 -26.673
    2    H2   LEU   1           H2       LEU   1 -17.701 -18.755 -26.189
    3    H3   LEU   1           H3       LEU   1 -17.089 -17.683 -25.024
    4    HA   LEU   1           HA       LEU   1 -15.551 -19.418 -25.049
    5   1HB   LEU   1          1HB       LEU   1 -14.604 -20.239 -27.223
    6   2HB   LEU   1          2HB       LEU   1 -16.331 -20.552 -27.053
    7    HG   LEU   1           HG       LEU   1 -15.535 -17.968 -28.308
    8   1HD1  LEU   1          1HD1      LEU   1 -15.134 -20.692 -29.539
    9   2HD1  LEU   1          2HD1      LEU   1 -15.507 -19.290 -30.542
   10   3HD1  LEU   1          3HD1      LEU   1 -14.044 -19.305 -29.557
   11   1HD2  LEU   1          1HD2      LEU   1 -17.776 -19.943 -28.375
   12   2HD2  LEU   1          2HD2      LEU   1 -17.836 -18.183 -28.288
   13   3HD2  LEU   1          3HD2      LEU   1 -17.497 -18.977 -29.825
   14    H    GLY   2           H        GLY   2 -13.313 -19.087 -24.976
   15   1HA   GLY   2          1HA       GLY   2 -12.461 -16.365 -25.122
   16   2HA   GLY   2          2HA       GLY   2 -11.773 -17.311 -26.440
   17    H    ALA   3           H        ALA   3  -9.963 -16.286 -24.836
   18    HA   ALA   3           HA       ALA   3  -8.845 -18.612 -23.489
   19   1HB   ALA   3          1HB       ALA   3  -7.551 -15.900 -23.590
   20   2HB   ALA   3          2HB       ALA   3  -6.788 -17.489 -23.528
   21   3HB   ALA   3          3HB       ALA   3  -7.568 -16.942 -25.012
   22    H    SER   4           H        SER   4  -7.397 -17.726 -21.463
   23    HA   SER   4           HA       SER   4  -9.307 -16.395 -19.633
   24   1HB   SER   4          1HB       SER   4  -8.660 -17.883 -17.862
   25   2HB   SER   4          2HB       SER   4  -9.094 -18.878 -19.248
   26    HG   SER   4           HG       SER   4  -7.130 -19.571 -18.377
   27    H    TRP   5           H        TRP   5  -7.841 -16.085 -17.430
   28    HA   TRP   5           HA       TRP   5  -5.280 -14.859 -18.195
   29   1HB   TRP   5          1HB       TRP   5  -5.870 -12.816 -16.871
   30   2HB   TRP   5          2HB       TRP   5  -6.824 -13.003 -18.342
   31    HD1  TRP   5           HD1      TRP   5  -9.377 -13.176 -18.100
   32    HE1  TRP   5           HE1      TRP   5 -11.008 -13.241 -16.104
   33    HE3  TRP   5           HE3      TRP   5  -6.053 -13.713 -14.261
   34    HZ2  TRP   5           HZ2      TRP   5 -10.914 -13.488 -13.255
   35    HZ3  TRP   5           HZ3      TRP   5  -6.850 -13.860 -11.919
   36    HH2  TRP   5           HH2      TRP   5  -9.273 -13.748 -11.411
   37    H    HIS   6           H        HIS   6  -3.813 -14.623 -16.486
   38    HA   HIS   6           HA       HIS   6  -4.493 -16.223 -14.097
   39   1HB   HIS   6          1HB       HIS   6  -1.755 -15.548 -15.199
   40   2HB   HIS   6          2HB       HIS   6  -2.106 -16.632 -13.853
   41    HD1  HIS   6           HD1      HIS   6  -1.877 -18.987 -14.618
   42    HD2  HIS   6           HD2      HIS   6  -3.579 -16.588 -17.572
   43    HE1  HIS   6           HE1      HIS   6  -2.408 -20.517 -16.565
   44    H    ARG   7           H        ARG   7  -3.187 -13.175 -15.233
   45    HA   ARG   7           HA       ARG   7  -2.784 -11.177 -14.168
   46   1HB   ARG   7          1HB       ARG   7  -5.158 -11.936 -13.218
   47   2HB   ARG   7          2HB       ARG   7  -4.240 -12.044 -11.716
   48   1HG   ARG   7          1HG       ARG   7  -3.368  -9.697 -12.250
   49   2HG   ARG   7          2HG       ARG   7  -4.621  -9.625 -13.489
   50   1HD   ARG   7          1HD       ARG   7  -6.125 -10.471 -11.434
   51   2HD   ARG   7          2HD       ARG   7  -4.882  -9.620 -10.523
   52    HE   ARG   7           HE       ARG   7  -5.740  -7.616 -11.322
   53   1HH1  ARG   7          1HH1      ARG   7  -6.968 -10.270 -13.246
   54   2HH1  ARG   7          2HH1      ARG   7  -8.080  -9.271 -14.118
   55   1HH2  ARG   7          1HH2      ARG   7  -7.204  -6.351 -12.482
   56   2HH2  ARG   7          2HH2      ARG   7  -8.213  -7.072 -13.691
   57    HA   PRO   8           HA       PRO   8   0.474 -13.016 -11.498
   58   1HB   PRO   8          1HB       PRO   8   2.591 -11.862 -12.782
   59   2HB   PRO   8          2HB       PRO   8   1.860 -13.395 -13.277
   60   1HG   PRO   8          1HG       PRO   8   1.681 -10.734 -14.551
   61   2HG   PRO   8          2HG       PRO   8   1.490 -12.341 -15.266
   62   1HD   PRO   8          1HD       PRO   8  -0.595 -10.540 -14.542
   63   2HD   PRO   8          2HD       PRO   8  -0.780 -12.231 -15.063
   64    H    ASP   9           H        ASP   9   1.263 -12.074  -9.676
   65    HA   ASP   9           HA       ASP   9   1.752 -10.473  -8.100
   66   1HB   ASP   9          1HB       ASP   9   2.385  -8.767 -10.522
   67   2HB   ASP   9          2HB       ASP   9   2.868  -8.425  -8.860
   68    H    LYS  10           H        LYS  10  -0.001  -9.847  -7.021
   69    HA   LYS  10           HA       LYS  10  -1.294  -7.395  -7.555
   70   1HB   LYS  10          1HB       LYS  10  -2.469  -9.767  -8.824
   71   2HB   LYS  10          2HB       LYS  10  -3.608  -8.888  -7.805
   72   1HG   LYS  10          1HG       LYS  10  -1.938  -7.150  -9.507
   73   2HG   LYS  10          2HG       LYS  10  -3.005  -8.227 -10.407
   74   1HD   LYS  10          1HD       LYS  10  -4.910  -7.444  -8.981
   75   2HD   LYS  10          2HD       LYS  10  -3.819  -6.277  -8.234
   76   1HE   LYS  10          1HE       LYS  10  -4.103  -6.386 -11.229
   77   2HE   LYS  10          2HE       LYS  10  -5.280  -5.504 -10.254
   78   1HZ   LYS  10          1HZ       LYS  10  -2.373  -5.080  -9.931
   79   2HZ   LYS  10          2HZ       LYS  10  -3.264  -4.232 -11.099
   80   3HZ   LYS  10          3HZ       LYS  10  -3.652  -4.068  -9.453
   81    H    CYS  11           H        CYS  11  -2.450 -10.546  -6.388
   82    HA   CYS  11           HA       CYS  11  -3.663  -9.521  -4.044
   83   1HB   CYS  11          1HB       CYS  11  -2.595 -12.338  -4.366
   84   2HB   CYS  11          2HB       CYS  11  -3.919 -11.800  -3.336
   85    H    CYS  12           H        CYS  12  -2.908 -10.662  -1.846
   86    HA   CYS  12           HA       CYS  12  -0.191 -11.033  -1.286
   87   1HB   CYS  12          1HB       CYS  12   0.317  -8.871  -0.123
   88   2HB   CYS  12          2HB       CYS  12   0.204  -8.724  -1.876
   89    H    LEU  13           H        LEU  13  -0.364 -12.283   0.429
   90    HA   LEU  13           HA       LEU  13  -2.628 -12.138   2.209
   91   1HB   LEU  13          1HB       LEU  13  -0.127 -13.734   2.677
   92   2HB   LEU  13          2HB       LEU  13  -1.746 -14.060   3.256
   93    HG   LEU  13           HG       LEU  13  -1.256 -14.067   0.304
   94   1HD1  LEU  13          1HD1      LEU  13   0.594 -15.401   1.269
   95   2HD1  LEU  13          2HD1      LEU  13  -0.576 -16.349   2.187
   96   3HD1  LEU  13          3HD1      LEU  13  -0.564 -16.427   0.425
   97   1HD2  LEU  13          1HD2      LEU  13  -3.080 -15.440   2.283
   98   2HD2  LEU  13          2HD2      LEU  13  -3.519 -14.403   0.926
   99   3HD2  LEU  13          3HD2      LEU  13  -2.910 -16.030   0.630
  100    H    GLY  14           H        GLY  14   0.731 -11.135   2.256
  101   1HA   GLY  14          1HA       GLY  14   2.002 -10.313   4.080
  102   2HA   GLY  14          2HA       GLY  14   0.546 -10.326   5.070
  103    H    TYR  15           H        TYR  15   0.865  -8.204   5.759
  104    HA   TYR  15           HA       TYR  15   0.696  -6.095   3.700
  105   1HB   TYR  15          1HB       TYR  15  -1.081  -6.422   6.123
  106   2HB   TYR  15          2HB       TYR  15  -0.909  -4.893   5.261
  107    HD1  TYR  15           HD1      TYR  15  -1.630  -8.521   4.621
  108    HD2  TYR  15           HD2      TYR  15  -2.300  -4.447   3.442
  109    HE1  TYR  15           HE1      TYR  15  -3.278  -9.281   2.931
  110    HE2  TYR  15           HE2      TYR  15  -3.948  -5.204   1.753
  111    HH   TYR  15           HH       TYR  15  -4.402  -7.316   0.450
  112    H    GLN  16           H        GLN  16   0.959  -3.871   4.853
  113    HA   GLN  16           HA       GLN  16   3.522  -3.820   6.044
  114   1HB   GLN  16          1HB       GLN  16   2.249  -1.913   4.815
  115   2HB   GLN  16          2HB       GLN  16   1.540  -1.589   6.389
  116   1HG   GLN  16          1HG       GLN  16   3.526  -0.208   6.122
  117   2HG   GLN  16          2HG       GLN  16   3.835  -1.430   7.355
  118   2HE2  GLN  16          2HE2      GLN  16   5.386  -3.104   6.874
  119   1HE2  GLN  16          1HE2      GLN  16   6.363  -3.059   5.488
  120    H    LYS  17           H        LYS  17   4.139  -4.173   8.069
  121    HA   LYS  17           HA       LYS  17   2.072  -4.295  10.166
  122   1HB   LYS  17          1HB       LYS  17   4.928  -5.296  10.276
  123   2HB   LYS  17          2HB       LYS  17   3.647  -5.618  11.445
  124   1HG   LYS  17          1HG       LYS  17   3.409  -7.530  10.203
  125   2HG   LYS  17          2HG       LYS  17   2.415  -6.472   9.199
  126   1HD   LYS  17          1HD       LYS  17   4.164  -6.125   7.637
  127   2HD   LYS  17          2HD       LYS  17   5.389  -6.740   8.747
  128   1HE   LYS  17          1HE       LYS  17   4.321  -8.991   8.622
  129   2HE   LYS  17          2HE       LYS  17   3.190  -8.357   7.426
  130   1HZ   LYS  17          1HZ       LYS  17   5.123  -7.741   6.051
  131   2HZ   LYS  17          2HZ       LYS  17   6.143  -8.511   7.171
  132   3HZ   LYS  17          3HZ       LYS  17   5.000  -9.417   6.305
  133    H    ARG  18           H        ARG  18   3.078  -1.786   9.167
  134    HA   ARG  18           HA       ARG  18   3.661  -0.505  11.649
  135   1HB   ARG  18          1HB       ARG  18   5.869   0.449  10.954
  136   2HB   ARG  18          2HB       ARG  18   5.923  -1.287  11.265
  137   1HG   ARG  18          1HG       ARG  18   6.040  -1.823   8.983
  138   2HG   ARG  18          2HG       ARG  18   5.389  -0.262   8.486
  139   1HD   ARG  18          1HD       ARG  18   7.444   0.855   9.215
  140   2HD   ARG  18          2HD       ARG  18   8.095  -0.678   9.785
  141    HE   ARG  18           HE       ARG  18   8.036   0.256   7.062
  142   1HH1  ARG  18          1HH1      ARG  18   8.010  -2.594   9.095
  143   2HH1  ARG  18          2HH1      ARG  18   8.679  -3.614   7.869
  144   1HH2  ARG  18          1HH2      ARG  18   8.906  -1.109   5.491
  145   2HH2  ARG  18          2HH2      ARG  18   9.183  -2.782   5.845
  146    HA   PRO  19           HA       PRO  19   1.929   2.703   9.141
  147   1HB   PRO  19          1HB       PRO  19   2.280   4.824  10.829
  148   2HB   PRO  19          2HB       PRO  19   1.058   3.567  11.064
  149   1HG   PRO  19          1HG       PRO  19   3.567   4.034  12.541
  150   2HG   PRO  19          2HG       PRO  19   2.101   3.185  13.049
  151   1HD   PRO  19          1HD       PRO  19   4.547   2.007  12.159
  152   2HD   PRO  19          2HD       PRO  19   3.019   1.170  12.516
  153    H    LEU  20           H        LEU  20   2.740   3.689   7.404
  154    HA   LEU  20           HA       LEU  20   5.489   4.732   7.486
  155   1HB   LEU  20          1HB       LEU  20   3.973   4.747   4.944
  156   2HB   LEU  20          2HB       LEU  20   5.646   4.341   5.249
  157    HG   LEU  20           HG       LEU  20   3.227   2.565   5.624
  158   1HD1  LEU  20          1HD1      LEU  20   4.080   2.806   3.319
  159   2HD1  LEU  20          2HD1      LEU  20   5.696   2.363   3.871
  160   3HD1  LEU  20          3HD1      LEU  20   4.386   1.184   3.941
  161   1HD2  LEU  20          1HD2      LEU  20   6.052   2.342   6.616
  162   2HD2  LEU  20          2HD2      LEU  20   4.551   1.879   7.416
  163   3HD2  LEU  20          3HD2      LEU  20   5.203   0.880   6.116
  164    HA   PRO  21           HA       PRO  21   3.938   8.882   7.348
  165   1HB   PRO  21          1HB       PRO  21   6.192  10.170   6.488
  166   2HB   PRO  21          2HB       PRO  21   5.994   9.521   8.126
  167   1HG   PRO  21          1HG       PRO  21   7.652   8.511   5.899
  168   2HG   PRO  21          2HG       PRO  21   7.838   8.271   7.642
  169   1HD   PRO  21          1HD       PRO  21   6.751   6.416   5.762
  170   2HD   PRO  21          2HD       PRO  21   6.779   6.254   7.535
  171    H    GLN  22           H        GLN  22   2.823  10.128   5.926
  172    HA   GLN  22           HA       GLN  22   2.797   9.472   3.136
  173   1HB   GLN  22          1HB       GLN  22   0.841  10.338   4.554
  174   2HB   GLN  22          2HB       GLN  22   1.559  11.935   4.352
  175   1HG   GLN  22          1HG       GLN  22   1.286  10.323   1.874
  176   2HG   GLN  22          2HG       GLN  22  -0.224  10.875   2.601
  177   2HE2  GLN  22          2HE2      GLN  22   1.559  11.797   0.156
  178   1HE2  GLN  22          1HE2      GLN  22   1.593  13.483   0.349
  179    H    VAL  23           H        VAL  23   4.845  11.439   4.974
  180    HA   VAL  23           HA       VAL  23   5.285  13.708   3.462
  181    HB   VAL  23           HB       VAL  23   6.316  13.272   5.654
  182   1HG1  VAL  23          1HG1      VAL  23   6.940  10.822   4.726
  183   2HG1  VAL  23          2HG1      VAL  23   8.479  11.633   4.439
  184   3HG1  VAL  23          3HG1      VAL  23   7.802  11.578   6.066
  185   1HG2  VAL  23          1HG2      VAL  23   7.306  14.951   4.087
  186   2HG2  VAL  23          2HG2      VAL  23   8.498  14.243   5.176
  187   3HG2  VAL  23          3HG2      VAL  23   8.406  13.705   3.500
  188    H    LEU  24           H        LEU  24   6.074  10.409   2.666
  189    HA   LEU  24           HA       LEU  24   7.430  11.404   0.237
  190   1HB   LEU  24          1HB       LEU  24   9.088   9.791   0.318
  191   2HB   LEU  24          2HB       LEU  24   8.967  10.352   1.966
  192    HG   LEU  24           HG       LEU  24   9.231   8.042   2.178
  193   1HD1  LEU  24          1HD1      LEU  24   7.203   8.942   3.393
  194   2HD1  LEU  24          2HD1      LEU  24   6.218   8.283   2.089
  195   3HD1  LEU  24          3HD1      LEU  24   7.181   7.205   3.095
  196   1HD2  LEU  24          1HD2      LEU  24   8.554   7.865  -0.418
  197   2HD2  LEU  24          2HD2      LEU  24   8.593   6.458   0.646
  198   3HD2  LEU  24          3HD2      LEU  24   7.060   7.260   0.298
  199    H    LEU  25           H        LEU  25   4.719   9.850   1.309
  200    HA   LEU  25           HA       LEU  25   4.577   7.719  -0.611
  201   1HB   LEU  25          1HB       LEU  25   3.224   8.230   1.642
  202   2HB   LEU  25          2HB       LEU  25   2.109   8.940   0.499
  203    HG   LEU  25           HG       LEU  25   1.815   6.813  -0.615
  204   1HD1  LEU  25          1HD1      LEU  25   4.233   6.120   0.971
  205   2HD1  LEU  25          2HD1      LEU  25   3.028   4.845   0.790
  206   3HD1  LEU  25          3HD1      LEU  25   3.752   5.583  -0.638
  207   1HD2  LEU  25          1HD2      LEU  25   1.546   7.009   2.350
  208   2HD2  LEU  25          2HD2      LEU  25   0.297   6.821   1.118
  209   3HD2  LEU  25          3HD2      LEU  25   1.261   5.431   1.615
  210    H    SER  26           H        SER  26   2.653   7.703  -2.185
  211    HA   SER  26           HA       SER  26   2.448  10.339  -3.519
  212   1HB   SER  26          1HB       SER  26   3.921   8.345  -4.557
  213   2HB   SER  26          2HB       SER  26   2.346   7.891  -5.200
  214    HG   SER  26           HG       SER  26   3.092   9.318  -6.651
  215    H    SER  27           H        SER  27   1.054   7.076  -3.921
  216    HA   SER  27           HA       SER  27  -1.613   8.054  -3.293
  217   1HB   SER  27          1HB       SER  27  -2.599   7.639  -5.429
  218   2HB   SER  27          2HB       SER  27  -1.189   8.649  -5.730
  219    HG   SER  27           HG       SER  27  -1.646   5.961  -6.310
  220    H    TRP  28           H        TRP  28  -3.083   5.989  -4.423
  221    HA   TRP  28           HA       TRP  28  -1.836   3.459  -3.649
  222   1HB   TRP  28          1HB       TRP  28  -3.785   2.917  -2.144
  223   2HB   TRP  28          2HB       TRP  28  -2.693   4.145  -1.509
  224    HD1  TRP  28           HD1      TRP  28  -3.530   6.659  -1.476
  225    HE1  TRP  28           HE1      TRP  28  -5.887   7.698  -1.579
  226    HE3  TRP  28           HE3      TRP  28  -6.200   2.636  -3.154
  227    HZ2  TRP  28           HZ2      TRP  28  -8.548   6.921  -2.285
  228    HZ3  TRP  28           HZ3      TRP  28  -8.638   2.817  -3.536
  229    HH2  TRP  28           HH2      TRP  28  -9.816   4.954  -3.102
  230    H    TYR  29           H        TYR  29  -2.810   1.670  -4.568
  231    HA   TYR  29           HA       TYR  29  -5.203   2.200  -6.214
  232   1HB   TYR  29          1HB       TYR  29  -4.329   1.075  -8.101
  233   2HB   TYR  29          2HB       TYR  29  -3.031   2.128  -7.561
  234    HD1  TYR  29           HD1      TYR  29  -4.261  -1.374  -7.566
  235    HD2  TYR  29           HD2      TYR  29  -0.934   1.229  -6.791
  236    HE1  TYR  29           HE1      TYR  29  -2.762  -3.341  -7.398
  237    HE2  TYR  29           HE2      TYR  29   0.563  -0.738  -6.620
  238    HH   TYR  29           HH       TYR  29  -0.341  -3.832  -7.657
  239    HA   PRO  30           HA       PRO  30  -6.611  -1.485  -4.180
  240   1HB   PRO  30          1HB       PRO  30  -8.890  -1.908  -5.623
  241   2HB   PRO  30          2HB       PRO  30  -8.721  -0.634  -4.406
  242   1HG   PRO  30          1HG       PRO  30  -8.801  -0.414  -7.352
  243   2HG   PRO  30          2HG       PRO  30  -9.204   0.791  -6.121
  244   1HD   PRO  30          1HD       PRO  30  -6.795   0.639  -7.639
  245   2HD   PRO  30          2HD       PRO  30  -7.132   1.727  -6.273
  246    H    THR  31           H        THR  31  -5.917  -3.536  -4.385
  247    HA   THR  31           HA       THR  31  -5.157  -4.600  -6.963
  248    HB   THR  31           HB       THR  31  -3.764  -5.135  -5.058
  249    HG1  THR  31           HG1      THR  31  -3.661  -6.838  -6.324
  250   1HG2  THR  31          1HG2      THR  31  -6.384  -5.894  -3.863
  251   2HG2  THR  31          2HG2      THR  31  -4.969  -6.829  -3.381
  252   3HG2  THR  31          3HG2      THR  31  -5.003  -5.085  -3.122
  253    H    SER  32           H        SER  32  -5.785  -7.077  -7.222
  254    HA   SER  32           HA       SER  32  -8.471  -7.160  -8.016
  255   1HB   SER  32          1HB       SER  32  -6.308  -9.177  -7.690
  256   2HB   SER  32          2HB       SER  32  -7.958  -9.776  -7.825
  257    HG   SER  32           HG       SER  32  -6.759  -7.908  -9.597
  258    H    GLN  33           H        GLN  33 -10.324  -7.641  -7.027
  259    HA   GLN  33           HA       GLN  33 -10.361  -7.987  -4.161
  260   1HB   GLN  33          1HB       GLN  33 -12.076  -6.761  -5.784
  261   2HB   GLN  33          2HB       GLN  33 -12.824  -8.359  -5.802
  262   1HG   GLN  33          1HG       GLN  33 -13.854  -7.278  -3.971
  263   2HG   GLN  33          2HG       GLN  33 -12.602  -8.270  -3.224
  264   2HE2  GLN  33          2HE2      GLN  33 -13.862  -5.165  -3.214
  265   1HE2  GLN  33          1HE2      GLN  33 -12.505  -4.330  -2.627
  266    H    LEU  34           H        LEU  34 -10.657 -10.029  -6.974
  267    HA   LEU  34           HA       LEU  34 -11.991 -12.243  -5.919
  268   1HB   LEU  34          1HB       LEU  34  -9.690 -12.319  -7.861
  269   2HB   LEU  34          2HB       LEU  34 -10.923 -13.542  -7.648
  270    HG   LEU  34           HG       LEU  34 -11.612 -10.744  -8.534
  271   1HD1  LEU  34          1HD1      LEU  34  -9.883 -11.859 -10.032
  272   2HD1  LEU  34          2HD1      LEU  34 -11.091 -13.104 -10.353
  273   3HD1  LEU  34          3HD1      LEU  34 -11.403 -11.431 -10.817
  274   1HD2  LEU  34          1HD2      LEU  34 -12.941 -13.459  -8.790
  275   2HD2  LEU  34          2HD2      LEU  34 -13.458 -12.136  -7.743
  276   3HD2  LEU  34          3HD2      LEU  34 -13.564 -11.966  -9.495
  277    H    CYS  35           H        CYS  35  -8.804 -11.055  -5.254
  278    HA   CYS  35           HA       CYS  35  -7.442 -13.365  -4.481
  279   1HB   CYS  35          1HB       CYS  35  -7.266 -10.693  -3.064
  280   2HB   CYS  35          2HB       CYS  35  -6.033 -11.951  -3.118
  281    H    SER  36           H        SER  36  -6.972 -14.147  -2.288
  282    HA   SER  36           HA       SER  36  -9.278 -14.922  -0.894
  283   1HB   SER  36          1HB       SER  36  -6.383 -14.862  -0.040
  284   2HB   SER  36          2HB       SER  36  -7.664 -15.562   0.946
  285    HG   SER  36           HG       SER  36  -8.075 -17.030  -0.676
  286    H    LYS  37           H        LYS  37  -6.741 -12.702   0.227
  287    HA   LYS  37           HA       LYS  37  -8.805 -11.095   1.581
  288   1HB   LYS  37          1HB       LYS  37  -7.304 -10.870   3.561
  289   2HB   LYS  37          2HB       LYS  37  -7.897 -12.515   3.333
  290   1HG   LYS  37          1HG       LYS  37  -5.670 -12.748   1.898
  291   2HG   LYS  37          2HG       LYS  37  -5.143 -11.419   2.931
  292   1HD   LYS  37          1HD       LYS  37  -5.873 -12.788   4.923
  293   2HD   LYS  37          2HD       LYS  37  -6.138 -14.139   3.819
  294   1HE   LYS  37          1HE       LYS  37  -3.682 -13.618   3.040
  295   2HE   LYS  37          2HE       LYS  37  -3.557 -12.819   4.607
  296   1HZ   LYS  37          1HZ       LYS  37  -4.585 -15.578   4.319
  297   2HZ   LYS  37          2HZ       LYS  37  -2.932 -15.245   4.528
  298   3HZ   LYS  37          3HZ       LYS  37  -4.050 -14.801   5.728
  299    HA   PRO  38           HA       PRO  38  -5.707  -8.530  -0.716
  300   1HB   PRO  38          1HB       PRO  38  -7.481  -7.238  -2.341
  301   2HB   PRO  38          2HB       PRO  38  -6.736  -8.792  -2.741
  302   1HG   PRO  38          1HG       PRO  38  -9.509  -8.202  -1.898
  303   2HG   PRO  38          2HG       PRO  38  -8.885  -9.555  -2.852
  304   1HD   PRO  38          1HD       PRO  38  -9.584  -9.600  -0.094
  305   2HD   PRO  38          2HD       PRO  38  -8.748 -10.882  -1.001
  306    H    GLY  39           H        GLY  39  -6.152  -6.006  -1.357
  307   1HA   GLY  39          1HA       GLY  39  -6.141  -4.532   0.985
  308   2HA   GLY  39          2HA       GLY  39  -7.808  -4.499   0.415
  309    H    VAL  40           H        VAL  40  -4.841  -2.983   0.242
  310    HA   VAL  40           HA       VAL  40  -5.106  -2.022  -2.495
  311    HB   VAL  40           HB       VAL  40  -5.286  -0.058  -0.195
  312   1HG1  VAL  40          1HG1      VAL  40  -4.257   0.407  -2.623
  313   2HG1  VAL  40          2HG1      VAL  40  -5.966   0.601  -3.013
  314   3HG1  VAL  40          3HG1      VAL  40  -5.227   1.604  -1.765
  315   1HG2  VAL  40          1HG2      VAL  40  -7.392  -1.145  -2.080
  316   2HG2  VAL  40          2HG2      VAL  40  -7.388  -1.234  -0.318
  317   3HG2  VAL  40          3HG2      VAL  40  -7.607   0.321  -1.123
  318    H    ILE  41           H        ILE  41  -3.207  -1.363  -3.325
  319    HA   ILE  41           HA       ILE  41  -0.862  -1.531  -1.565
  320    HB   ILE  41           HB       ILE  41  -1.185  -1.669  -4.572
  321   1HG1  ILE  41          1HG1      ILE  41  -0.060  -3.925  -4.081
  322   2HG1  ILE  41          2HG1      ILE  41  -0.417  -3.602  -2.385
  323   1HG2  ILE  41          1HG2      ILE  41   1.282  -1.341  -2.883
  324   2HG2  ILE  41          2HG2      ILE  41   1.360  -2.311  -4.351
  325   3HG2  ILE  41          3HG2      ILE  41   0.900  -0.611  -4.442
  326   1HD1  ILE  41          1HD1      ILE  41  -2.610  -3.339  -4.417
  327   2HD1  ILE  41          2HD1      ILE  41  -2.145  -4.945  -3.852
  328   3HD1  ILE  41          3HD1      ILE  41  -2.721  -3.738  -2.702
  329    H    PHE  42           H        PHE  42   0.559   0.128  -1.302
  330    HA   PHE  42           HA       PHE  42  -0.353   2.773  -2.235
  331   1HB   PHE  42          1HB       PHE  42   1.208   1.812   0.134
  332   2HB   PHE  42          2HB       PHE  42   1.493   3.447  -0.460
  333    HD1  PHE  42           HD1      PHE  42  -0.272   5.137  -0.414
  334    HD2  PHE  42           HD2      PHE  42  -0.945   1.167   1.081
  335    HE1  PHE  42           HE1      PHE  42  -2.340   5.913   0.711
  336    HE2  PHE  42           HE2      PHE  42  -3.016   1.943   2.204
  337    HZ   PHE  42           HZ       PHE  42  -3.711   4.315   2.023
  338    H    LEU  43           H        LEU  43   0.883   3.992  -3.559
  339    HA   LEU  43           HA       LEU  43   3.467   2.844  -4.417
  340   1HB   LEU  43          1HB       LEU  43   1.938   4.976  -5.878
  341   2HB   LEU  43          2HB       LEU  43   3.205   3.940  -6.491
  342    HG   LEU  43           HG       LEU  43   1.197   3.171  -7.476
  343   1HD1  LEU  43          1HD1      LEU  43   2.707   1.516  -5.864
  344   2HD1  LEU  43          2HD1      LEU  43   1.066   1.180  -5.316
  345   3HD1  LEU  43          3HD1      LEU  43   1.489   0.974  -7.015
  346   1HD2  LEU  43          1HD2      LEU  43  -0.088   4.349  -5.399
  347   2HD2  LEU  43          2HD2      LEU  43  -0.868   3.203  -6.489
  348   3HD2  LEU  43          3HD2      LEU  43  -0.247   2.656  -4.933
  349    H    THR  44           H        THR  44   4.965   3.742  -3.045
  350    HA   THR  44           HA       THR  44   4.845   6.414  -2.085
  351    HB   THR  44           HB       THR  44   7.193   6.077  -1.438
  352    HG1  THR  44           HG1      THR  44   6.937   3.670  -2.915
  353   1HG2  THR  44          1HG2      THR  44   5.104   4.012  -0.940
  354   2HG2  THR  44          2HG2      THR  44   6.742   3.648  -0.397
  355   3HG2  THR  44          3HG2      THR  44   5.915   5.088   0.198
  356    H    LYS  45           H        LYS  45   6.575   8.062  -2.595
  357    HA   LYS  45           HA       LYS  45   6.395   8.875  -5.280
  358   1HB   LYS  45          1HB       LYS  45   8.193   9.688  -3.007
  359   2HB   LYS  45          2HB       LYS  45   8.393  10.380  -4.618
  360   1HG   LYS  45          1HG       LYS  45   6.396  11.520  -4.530
  361   2HG   LYS  45          2HG       LYS  45   5.630  10.310  -3.498
  362   1HD   LYS  45          1HD       LYS  45   5.920  12.004  -1.951
  363   2HD   LYS  45          2HD       LYS  45   7.456  11.157  -1.755
  364   1HE   LYS  45          1HE       LYS  45   7.905  13.536  -1.986
  365   2HE   LYS  45          2HE       LYS  45   8.467  12.711  -3.440
  366   1HZ   LYS  45          1HZ       LYS  45   5.729  13.780  -3.334
  367   2HZ   LYS  45          2HZ       LYS  45   7.027  14.830  -3.650
  368   3HZ   LYS  45          3HZ       LYS  45   6.730  13.517  -4.682
  369    H    ARG  46           H        ARG  46   9.216   7.598  -3.521
  370    HA   ARG  46           HA       ARG  46  10.222   6.493  -6.072
  371   1HB   ARG  46          1HB       ARG  46  11.410   8.615  -5.403
  372   2HB   ARG  46          2HB       ARG  46  11.963   7.757  -3.964
  373   1HG   ARG  46          1HG       ARG  46  13.285   6.268  -5.198
  374   2HG   ARG  46          2HG       ARG  46  12.383   6.552  -6.687
  375   1HD   ARG  46          1HD       ARG  46  14.385   7.739  -7.031
  376   2HD   ARG  46          2HD       ARG  46  13.254   8.983  -6.508
  377    HE   ARG  46           HE       ARG  46  14.643   7.871  -4.276
  378   1HH1  ARG  46          1HH1      ARG  46  15.034  10.054  -6.985
  379   2HH1  ARG  46          2HH1      ARG  46  16.257  10.990  -6.200
  380   1HH2  ARG  46          1HH2      ARG  46  16.241   9.121  -3.288
  381   2HH2  ARG  46          2HH2      ARG  46  16.936  10.468  -4.125
  382    H    GLY  47           H        GLY  47   9.135   5.697  -3.075
  383   1HA   GLY  47          1HA       GLY  47   9.567   4.017  -1.555
  384   2HA   GLY  47          2HA       GLY  47  11.185   3.871  -2.233
  385    H    ARG  48           H        ARG  48   8.169   2.434  -1.948
  386    HA   ARG  48           HA       ARG  48   8.314   0.868  -4.403
  387   1HB   ARG  48          1HB       ARG  48   9.332  -0.102  -1.814
  388   2HB   ARG  48          2HB       ARG  48   8.191  -1.195  -2.591
  389   1HG   ARG  48          1HG       ARG  48  10.328   0.016  -4.292
  390   2HG   ARG  48          2HG       ARG  48  10.796  -1.262  -3.170
  391   1HD   ARG  48          1HD       ARG  48   9.365  -2.838  -4.178
  392   2HD   ARG  48          2HD       ARG  48   8.410  -1.595  -4.977
  393    HE   ARG  48           HE       ARG  48  11.163  -1.652  -5.848
  394   1HH1  ARG  48          1HH1      ARG  48   7.980  -3.034  -6.302
  395   2HH1  ARG  48          2HH1      ARG  48   8.299  -3.520  -7.931
  396   1HH2  ARG  48          1HH2      ARG  48  11.538  -2.302  -7.974
  397   2HH2  ARG  48          2HH2      ARG  48  10.296  -3.111  -8.871
  398    H    GLN  49           H        GLN  49   6.696  -1.198  -3.836
  399    HA   GLN  49           HA       GLN  49   4.144   0.120  -3.282
  400   1HB   GLN  49          1HB       GLN  49   4.986  -2.369  -4.695
  401   2HB   GLN  49          2HB       GLN  49   3.371  -2.323  -3.987
  402   1HG   GLN  49          1HG       GLN  49   2.630  -0.706  -5.439
  403   2HG   GLN  49          2HG       GLN  49   4.212   0.065  -5.552
  404   2HE2  GLN  49          2HE2      GLN  49   5.307  -0.305  -7.481
  405   1HE2  GLN  49          1HE2      GLN  49   5.012  -1.605  -8.531
  406    H    VAL  50           H        VAL  50   2.695  -0.598  -1.698
  407    HA   VAL  50           HA       VAL  50   3.614  -2.701   0.142
  408    HB   VAL  50           HB       VAL  50   2.839   0.092   1.032
  409   1HG1  VAL  50          1HG1      VAL  50   2.095  -1.779   2.546
  410   2HG1  VAL  50          2HG1      VAL  50   3.784  -2.268   2.690
  411   3HG1  VAL  50          3HG1      VAL  50   3.267  -0.691   3.287
  412   1HG2  VAL  50          1HG2      VAL  50   5.476  -1.405   1.133
  413   2HG2  VAL  50          2HG2      VAL  50   5.112  -0.011   0.114
  414   3HG2  VAL  50          3HG2      VAL  50   5.175   0.170   1.867
  415    H    CYS  51           H        CYS  51   1.996  -4.051   0.533
  416    HA   CYS  51           HA       CYS  51  -0.722  -3.427  -0.202
  417   1HB   CYS  51          1HB       CYS  51   0.755  -5.799   0.785
  418   2HB   CYS  51          2HB       CYS  51  -0.936  -5.714   1.272
  419    H    ALA  52           H        ALA  52  -2.060  -2.273   1.033
  420    HA   ALA  52           HA       ALA  52  -1.846  -2.549   3.965
  421   1HB   ALA  52          1HB       ALA  52  -0.759  -0.417   3.098
  422   2HB   ALA  52          2HB       ALA  52  -2.376   0.096   2.614
  423   3HB   ALA  52          3HB       ALA  52  -2.018  -0.204   4.314
  424    H    ASP  53           H        ASP  53  -3.709  -2.961   4.920
  425    HA   ASP  53           HA       ASP  53  -6.168  -2.891   3.347
  426   1HB   ASP  53          1HB       ASP  53  -5.662  -3.872   6.170
  427   2HB   ASP  53          2HB       ASP  53  -7.164  -4.071   5.266
  428    H    LYS  54           H        LYS  54  -7.649  -1.332   3.496
  429    HA   LYS  54           HA       LYS  54  -7.226   1.066   4.863
  430   1HB   LYS  54          1HB       LYS  54  -9.626   1.543   4.399
  431   2HB   LYS  54          2HB       LYS  54  -8.757   0.951   2.983
  432   1HG   LYS  54          1HG       LYS  54 -10.559  -0.461   2.850
  433   2HG   LYS  54          2HG       LYS  54  -9.600  -1.405   3.990
  434   1HD   LYS  54          1HD       LYS  54 -10.848  -0.663   5.846
  435   2HD   LYS  54          2HD       LYS  54 -11.505   0.717   4.965
  436   1HE   LYS  54          1HE       LYS  54 -13.123  -0.538   3.926
  437   2HE   LYS  54          2HE       LYS  54 -12.111  -1.982   3.866
  438   1HZ   LYS  54          1HZ       LYS  54 -12.406  -2.154   6.309
  439   2HZ   LYS  54          2HZ       LYS  54 -13.542  -0.893   6.226
  440   3HZ   LYS  54          3HZ       LYS  54 -13.845  -2.359   5.428
  441    H    SER  55           H        SER  55  -8.541  -1.928   6.023
  442    HA   SER  55           HA       SER  55 -10.170  -1.082   8.124
  443   1HB   SER  55          1HB       SER  55  -9.329  -3.510   7.230
  444   2HB   SER  55          2HB       SER  55  -8.425  -3.378   8.734
  445    HG   SER  55           HG       SER  55 -10.238  -3.911   9.642
  446    H    LYS  56           H        LYS  56  -6.690  -1.103   7.831
  447    HA   LYS  56           HA       LYS  56  -6.000  -0.859  10.559
  448   1HB   LYS  56          1HB       LYS  56  -4.669  -0.266   7.963
  449   2HB   LYS  56          2HB       LYS  56  -4.008   0.511   9.402
  450   1HG   LYS  56          1HG       LYS  56  -4.573  -2.459   9.237
  451   2HG   LYS  56          2HG       LYS  56  -3.001  -1.753   8.860
  452   1HD   LYS  56          1HD       LYS  56  -3.252  -0.599  11.199
  453   2HD   LYS  56          2HD       LYS  56  -4.428  -1.879  11.502
  454   1HE   LYS  56          1HE       LYS  56  -1.649  -2.459  10.462
  455   2HE   LYS  56          2HE       LYS  56  -2.012  -2.384  12.187
  456   1HZ   LYS  56          1HZ       LYS  56  -3.460  -4.119  10.264
  457   2HZ   LYS  56          2HZ       LYS  56  -2.153  -4.645  11.214
  458   3HZ   LYS  56          3HZ       LYS  56  -3.590  -4.132  11.958
  459    H    ASP  57           H        ASP  57  -4.664   1.349  11.084
  460    HA   ASP  57           HA       ASP  57  -6.740   3.440  11.017
  461   1HB   ASP  57          1HB       ASP  57  -4.376   2.980  12.843
  462   2HB   ASP  57          2HB       ASP  57  -5.333   4.461  12.865
  463    H    TRP  58           H        TRP  58  -3.174   3.217  10.887
  464    HA   TRP  58           HA       TRP  58  -2.829   5.824   9.843
  465   1HB   TRP  58          1HB       TRP  58  -0.541   5.092   9.252
  466   2HB   TRP  58          2HB       TRP  58  -0.968   4.686  10.910
  467    HD1  TRP  58           HD1      TRP  58  -1.305   2.137  11.518
  468    HE1  TRP  58           HE1      TRP  58  -0.579  -0.031  10.331
  469    HE3  TRP  58           HE3      TRP  58  -0.219   3.987   6.890
  470    HZ2  TRP  58           HZ2      TRP  58   0.341  -0.877   7.740
  471    HZ3  TRP  58           HZ3      TRP  58   0.581   2.490   5.087
  472    HH2  TRP  58           HH2      TRP  58   0.858   0.064   5.506
  473    H    VAL  59           H        VAL  59  -3.554   2.756   8.362
  474    HA   VAL  59           HA       VAL  59  -2.858   3.484   5.688
  475    HB   VAL  59           HB       VAL  59  -4.899   1.441   6.597
  476   1HG1  VAL  59          1HG1      VAL  59  -4.752   2.225   4.132
  477   2HG1  VAL  59          2HG1      VAL  59  -3.195   1.398   4.107
  478   3HG1  VAL  59          3HG1      VAL  59  -4.670   0.490   4.442
  479   1HG2  VAL  59          1HG2      VAL  59  -2.645   1.139   7.641
  480   2HG2  VAL  59          2HG2      VAL  59  -3.068  -0.167   6.534
  481   3HG2  VAL  59          3HG2      VAL  59  -1.942   1.091   6.025
  482    H    LYS  60           H        LYS  60  -5.805   3.579   7.618
  483    HA   LYS  60           HA       LYS  60  -7.620   4.374   5.641
  484   1HB   LYS  60          1HB       LYS  60  -8.038   3.696   8.105
  485   2HB   LYS  60          2HB       LYS  60  -7.760   5.400   8.466
  486   1HG   LYS  60          1HG       LYS  60  -9.697   6.079   7.437
  487   2HG   LYS  60          2HG       LYS  60  -9.616   4.808   6.217
  488   1HD   LYS  60          1HD       LYS  60 -10.133   3.169   8.134
  489   2HD   LYS  60          2HD       LYS  60 -10.581   4.595   9.071
  490   1HE   LYS  60          1HE       LYS  60 -12.636   4.162   8.140
  491   2HE   LYS  60          2HE       LYS  60 -11.962   5.125   6.824
  492   1HZ   LYS  60          1HZ       LYS  60 -11.138   2.992   5.866
  493   2HZ   LYS  60          2HZ       LYS  60 -12.046   2.168   7.036
  494   3HZ   LYS  60          3HZ       LYS  60 -12.830   3.147   5.889
  495    H    LYS  61           H        LYS  61  -5.552   6.334   7.763
  496    HA   LYS  61           HA       LYS  61  -6.503   8.858   6.944
  497   1HB   LYS  61          1HB       LYS  61  -3.756   8.067   7.943
  498   2HB   LYS  61          2HB       LYS  61  -4.333   9.726   7.790
  499   1HG   LYS  61          1HG       LYS  61  -6.273   9.080   9.291
  500   2HG   LYS  61          2HG       LYS  61  -5.435   7.556   9.588
  501   1HD   LYS  61          1HD       LYS  61  -4.585   8.793  11.342
  502   2HD   LYS  61          2HD       LYS  61  -3.399   9.203  10.102
  503   1HE   LYS  61          1HE       LYS  61  -4.729  11.225   9.531
  504   2HE   LYS  61          2HE       LYS  61  -5.851  10.830  10.832
  505   1HZ   LYS  61          1HZ       LYS  61  -3.861  10.859  12.339
  506   2HZ   LYS  61          2HZ       LYS  61  -2.985  11.546  11.059
  507   3HZ   LYS  61          3HZ       LYS  61  -4.322  12.369  11.710
  508    H    LEU  62           H        LEU  62  -3.940   6.784   5.649
  509    HA   LEU  62           HA       LEU  62  -2.916   8.623   3.762
  510   1HB   LEU  62          1HB       LEU  62  -3.022   5.616   3.648
  511   2HB   LEU  62          2HB       LEU  62  -2.102   6.624   2.555
  512    HG   LEU  62           HG       LEU  62  -1.624   6.744   5.519
  513   1HD1  LEU  62          1HD1      LEU  62  -0.870   4.633   3.541
  514   2HD1  LEU  62          2HD1      LEU  62   0.336   5.116   4.735
  515   3HD1  LEU  62          3HD1      LEU  62  -1.222   4.482   5.261
  516   1HD2  LEU  62          1HD2      LEU  62  -0.311   7.635   2.996
  517   2HD2  LEU  62          2HD2      LEU  62  -0.360   8.421   4.573
  518   3HD2  LEU  62          3HD2      LEU  62   0.755   7.084   4.289
  519    H    MET  63           H        MET  63  -5.375   6.081   3.486
  520    HA   MET  63           HA       MET  63  -5.986   6.351   0.775
  521   1HB   MET  63          1HB       MET  63  -7.871   5.711   3.054
  522   2HB   MET  63          2HB       MET  63  -8.223   5.457   1.350
  523   1HG   MET  63          1HG       MET  63  -5.909   4.190   2.841
  524   2HG   MET  63          2HG       MET  63  -7.425   3.378   2.471
  525   1HE   MET  63          1HE       MET  63  -8.192   2.553   0.610
  526   2HE   MET  63          2HE       MET  63  -8.203   3.826  -0.609
  527   3HE   MET  63          3HE       MET  63  -7.386   2.292  -0.934
  528    H    GLN  64           H        GLN  64  -7.279   8.108   3.554
  529    HA   GLN  64           HA       GLN  64  -9.040   9.739   1.950
  530   1HB   GLN  64          1HB       GLN  64  -8.230   9.691   4.839
  531   2HB   GLN  64          2HB       GLN  64  -9.059  11.105   4.185
  532   1HG   GLN  64          1HG       GLN  64 -10.986   9.866   3.623
  533   2HG   GLN  64          2HG       GLN  64 -10.130   8.326   3.714
  534   2HE2  GLN  64          2HE2      GLN  64 -12.559   9.503   5.266
  535   1HE2  GLN  64          1HE2      GLN  64 -12.157   9.221   6.891
  536    H    GLN  65           H        GLN  65  -5.779   9.972   3.205
  537    HA   GLN  65           HA       GLN  65  -5.455  12.780   2.771
  538   1HB   GLN  65          1HB       GLN  65  -3.640  10.486   3.374
  539   2HB   GLN  65          2HB       GLN  65  -2.934  11.984   2.769
  540   1HG   GLN  65          1HG       GLN  65  -4.955  12.357   4.893
  541   2HG   GLN  65          2HG       GLN  65  -3.504  11.502   5.407
  542   2HE2  GLN  65          2HE2      GLN  65  -2.840  13.412   6.680
  543   1HE2  GLN  65          1HE2      GLN  65  -2.201  14.779   5.904
  544    H    LEU  66           H        LEU  66  -4.623   9.878   0.919
  545    HA   LEU  66           HA       LEU  66  -3.771  11.557  -1.345
  546   1HB   LEU  66          1HB       LEU  66  -3.571   8.575  -0.948
  547   2HB   LEU  66          2HB       LEU  66  -2.929   9.469  -2.308
  548    HG   LEU  66           HG       LEU  66  -2.032   9.880   0.552
  549   1HD1  LEU  66          1HD1      LEU  66  -1.584   7.570  -0.460
  550   2HD1  LEU  66          2HD1      LEU  66  -0.558   8.396  -1.632
  551   3HD1  LEU  66          3HD1      LEU  66  -0.167   8.468   0.086
  552   1HD2  LEU  66          1HD2      LEU  66  -1.363  11.046  -2.105
  553   2HD2  LEU  66          2HD2      LEU  66  -1.301  11.786  -0.505
  554   3HD2  LEU  66          3HD2      LEU  66  -0.005  10.712  -1.031
  555    HA   PRO  67           HA       PRO  67  -7.587  10.662  -3.381
  556   1HB   PRO  67          1HB       PRO  67  -6.873  11.181  -5.974
  557   2HB   PRO  67          2HB       PRO  67  -7.160  12.435  -4.758
  558   1HG   PRO  67          1HG       PRO  67  -4.599  11.467  -5.893
  559   2HG   PRO  67          2HG       PRO  67  -5.005  13.050  -5.214
  560   1HD   PRO  67          1HD       PRO  67  -3.561  10.990  -3.911
  561   2HD   PRO  67          2HD       PRO  67  -4.230  12.452  -3.148
  562    H    VAL  68           H        VAL  68  -5.525   9.653  -6.084
  563    HA   VAL  68           HA       VAL  68  -5.314   6.937  -5.627
  564    HB   VAL  68           HB       VAL  68  -8.030   7.559  -5.920
  565   1HG1  VAL  68          1HG1      VAL  68  -7.742   7.845  -8.371
  566   2HG1  VAL  68          2HG1      VAL  68  -7.113   6.201  -8.467
  567   3HG1  VAL  68          3HG1      VAL  68  -8.782   6.478  -7.969
  568   1HG2  VAL  68          1HG2      VAL  68  -7.065   5.601  -4.804
  569   2HG2  VAL  68          2HG2      VAL  68  -8.314   5.113  -5.950
  570   3HG2  VAL  68          3HG2      VAL  68  -6.611   4.923  -6.367
  571    H    THR  69           H        THR  69  -4.341   5.865  -7.353
  572    HA   THR  69           HA       THR  69  -3.349   7.642  -9.446
  573    HB   THR  69           HB       THR  69  -1.692   6.264  -8.340
  574    HG1  THR  69           HG1      THR  69  -0.945   5.113 -10.208
  575   1HG2  THR  69          1HG2      THR  69  -3.572   4.026  -9.094
  576   2HG2  THR  69          2HG2      THR  69  -1.878   3.728  -8.704
  577   3HG2  THR  69          3HG2      THR  69  -2.949   4.436  -7.496
  578    H    ALA  70           H        ALA  70  -3.059   6.554 -11.664
  579    HA   ALA  70           HA       ALA  70  -4.039   5.785 -13.598
  580   1HB   ALA  70          1HB       ALA  70  -5.722   3.973 -11.868
  581   2HB   ALA  70          2HB       ALA  70  -5.198   3.715 -13.532
  582   3HB   ALA  70          3HB       ALA  70  -4.027   3.633 -12.216
  583    H    ARG  71           H        ARG  71  -6.003   5.868 -14.846
  584    HA   ARG  71           HA       ARG  71  -7.981   6.852 -15.482
  585   1HB   ARG  71          1HB       ARG  71  -8.491   6.041 -12.660
  586   2HB   ARG  71          2HB       ARG  71  -9.633   7.159 -13.407
  587   1HG   ARG  71          1HG       ARG  71  -8.763   4.548 -14.676
  588   2HG   ARG  71          2HG       ARG  71 -10.231   4.730 -13.715
  589   1HD   ARG  71          1HD       ARG  71 -10.576   6.796 -15.397
  590   2HD   ARG  71          2HD       ARG  71  -9.604   5.759 -16.437
  591    HE   ARG  71           HE       ARG  71 -11.524   4.073 -15.477
  592   1HH1  ARG  71          1HH1      ARG  71 -11.614   7.195 -17.059
  593   2HH1  ARG  71          2HH1      ARG  71 -13.148   6.899 -17.803
  594   1HH2  ARG  71          1HH2      ARG  71 -13.521   3.729 -16.467
  595   2HH2  ARG  71          2HH2      ARG  71 -14.219   4.956 -17.471

  No H/Q in entry =         595
  Start of MODEL   15
    1    H1   LEU   1           H1       LEU   1 -19.231  -5.040 -20.440
    2    H2   LEU   1           H2       LEU   1 -19.734  -6.642 -20.186
    3    H3   LEU   1           H3       LEU   1 -20.856  -5.376 -20.075
    4    HA   LEU   1           HA       LEU   1 -19.996  -4.593 -18.072
    5   1HB   LEU   1          1HB       LEU   1 -21.082  -7.020 -18.180
    6   2HB   LEU   1          2HB       LEU   1 -19.472  -7.510 -17.654
    7    HG   LEU   1           HG       LEU   1 -20.731  -5.208 -16.235
    8   1HD1  LEU   1          1HD1      LEU   1 -22.559  -6.888 -16.431
    9   2HD1  LEU   1          2HD1      LEU   1 -21.494  -8.098 -15.713
   10   3HD1  LEU   1          3HD1      LEU   1 -22.002  -6.698 -14.768
   11   1HD2  LEU   1          1HD2      LEU   1 -18.421  -6.144 -15.781
   12   2HD2  LEU   1          2HD2      LEU   1 -19.484  -6.109 -14.373
   13   3HD2  LEU   1          3HD2      LEU   1 -19.203  -7.625 -15.229
   14    H    GLY   2           H        GLY   2 -18.117  -3.540 -17.821
   15   1HA   GLY   2          1HA       GLY   2 -15.752  -4.993 -17.064
   16   2HA   GLY   2          2HA       GLY   2 -15.911  -3.242 -17.177
   17    H    ALA   3           H        ALA   3 -14.321  -2.557 -18.470
   18    HA   ALA   3           HA       ALA   3 -13.551  -4.124 -20.822
   19   1HB   ALA   3          1HB       ALA   3 -15.409  -2.444 -21.430
   20   2HB   ALA   3          2HB       ALA   3 -14.191  -1.199 -21.153
   21   3HB   ALA   3          3HB       ALA   3 -13.938  -2.418 -22.403
   22    H    SER   4           H        SER   4 -12.284  -3.446 -18.295
   23    HA   SER   4           HA       SER   4 -10.009  -1.852 -19.319
   24   1HB   SER   4          1HB       SER   4 -10.765  -2.088 -16.408
   25   2HB   SER   4          2HB       SER   4  -9.621  -0.969 -17.144
   26    HG   SER   4           HG       SER   4 -11.263   0.314 -17.350
   27    H    TRP   5           H        TRP   5 -11.010  -4.455 -17.139
   28    HA   TRP   5           HA       TRP   5  -8.310  -5.637 -17.434
   29   1HB   TRP   5          1HB       TRP   5  -8.747  -6.753 -15.235
   30   2HB   TRP   5          2HB       TRP   5  -8.638  -4.998 -15.125
   31    HD1  TRP   5           HD1      TRP   5 -10.727  -3.691 -14.332
   32    HE1  TRP   5           HE1      TRP   5 -13.075  -4.383 -13.525
   33    HE3  TRP   5           HE3      TRP   5 -10.678  -8.635 -15.613
   34    HZ2  TRP   5           HZ2      TRP   5 -14.716  -6.724 -13.434
   35    HZ3  TRP   5           HZ3      TRP   5 -12.645 -10.071 -15.154
   36    HH2  TRP   5           HH2      TRP   5 -14.662  -9.124 -14.068
   37    H    HIS   6           H        HIS   6  -8.197  -7.939 -17.531
   38    HA   HIS   6           HA       HIS   6 -10.647  -9.148 -18.656
   39   1HB   HIS   6          1HB       HIS   6  -8.328  -8.968 -19.929
   40   2HB   HIS   6          2HB       HIS   6  -7.964 -10.413 -18.985
   41    HD1  HIS   6           HD1      HIS   6 -10.650  -9.112 -21.354
   42    HD2  HIS   6           HD2      HIS   6  -9.072 -12.734 -20.023
   43    HE1  HIS   6           HE1      HIS   6 -11.768 -10.925 -22.723
   44    H    ARG   7           H        ARG   7  -7.709 -10.287 -17.008
   45    HA   ARG   7           HA       ARG   7  -9.353 -11.681 -15.023
   46   1HB   ARG   7          1HB       ARG   7  -7.702 -13.011 -17.117
   47   2HB   ARG   7          2HB       ARG   7  -7.649 -13.686 -15.488
   48   1HG   ARG   7          1HG       ARG   7 -10.305 -13.006 -16.712
   49   2HG   ARG   7          2HG       ARG   7  -9.497 -14.504 -17.175
   50   1HD   ARG   7          1HD       ARG   7  -9.401 -15.234 -14.867
   51   2HD   ARG   7          2HD       ARG   7 -10.025 -13.685 -14.308
   52    HE   ARG   7           HE       ARG   7 -11.567 -15.876 -15.381
   53   1HH1  ARG   7          1HH1      ARG   7 -11.449 -12.407 -14.929
   54   2HH1  ARG   7          2HH1      ARG   7 -13.167 -12.225 -15.004
   55   1HH2  ARG   7          1HH2      ARG   7 -13.802 -15.594 -15.473
   56   2HH2  ARG   7          2HH2      ARG   7 -14.489 -14.013 -15.309
   57    HA   PRO   8           HA       PRO   8  -5.484  -9.958 -13.227
   58   1HB   PRO   8          1HB       PRO   8  -6.674  -8.672 -11.132
   59   2HB   PRO   8          2HB       PRO   8  -6.473  -7.955 -12.739
   60   1HG   PRO   8          1HG       PRO   8  -8.922  -8.979 -11.435
   61   2HG   PRO   8          2HG       PRO   8  -8.748  -7.773 -12.718
   62   1HD   PRO   8          1HD       PRO   8  -9.509 -10.501 -13.035
   63   2HD   PRO   8          2HD       PRO   8  -9.132  -9.341 -14.330
   64    H    ASP   9           H        ASP   9  -4.271 -11.089 -11.804
   65    HA   ASP   9           HA       ASP   9  -5.569 -12.449  -9.544
   66   1HB   ASP   9          1HB       ASP   9  -4.215 -14.505 -10.023
   67   2HB   ASP   9          2HB       ASP   9  -5.472 -14.187 -11.218
   68    H    LYS  10           H        LYS  10  -4.590 -11.143  -8.055
   69    HA   LYS  10           HA       LYS  10  -1.945 -11.767  -7.265
   70   1HB   LYS  10          1HB       LYS  10  -0.925  -9.509  -7.622
   71   2HB   LYS  10          2HB       LYS  10  -1.214 -10.397  -9.117
   72   1HG   LYS  10          1HG       LYS  10  -3.536  -9.129  -9.053
   73   2HG   LYS  10          2HG       LYS  10  -2.650  -7.999  -8.030
   74   1HD   LYS  10          1HD       LYS  10  -1.293  -7.298  -9.742
   75   2HD   LYS  10          2HD       LYS  10  -1.293  -8.877 -10.528
   76   1HE   LYS  10          1HE       LYS  10  -3.750  -7.117 -10.451
   77   2HE   LYS  10          2HE       LYS  10  -2.557  -7.011 -11.745
   78   1HZ   LYS  10          1HZ       LYS  10  -2.892  -9.563 -11.838
   79   2HZ   LYS  10          2HZ       LYS  10  -4.365  -9.225 -11.062
   80   3HZ   LYS  10          3HZ       LYS  10  -4.025  -8.542 -12.580
   81    H    CYS  11           H        CYS  11  -2.926 -12.018  -5.274
   82    HA   CYS  11           HA       CYS  11  -3.698  -9.494  -3.936
   83   1HB   CYS  11          1HB       CYS  11  -4.941 -12.210  -3.442
   84   2HB   CYS  11          2HB       CYS  11  -5.376 -10.697  -2.648
   85    H    CYS  12           H        CYS  12  -1.823  -9.143  -2.846
   86    HA   CYS  12           HA       CYS  12  -0.204 -11.113  -1.641
   87   1HB   CYS  12          1HB       CYS  12   0.732  -9.215  -0.308
   88   2HB   CYS  12          2HB       CYS  12   0.687  -8.899  -2.041
   89    H    LEU  13           H        LEU  13  -0.610 -12.379   0.030
   90    HA   LEU  13           HA       LEU  13  -2.913 -12.139   1.662
   91   1HB   LEU  13          1HB       LEU  13  -0.391 -13.744   2.036
   92   2HB   LEU  13          2HB       LEU  13  -1.803 -13.889   3.060
   93    HG   LEU  13           HG       LEU  13  -2.056 -14.296   0.094
   94   1HD1  LEU  13          1HD1      LEU  13  -1.094 -16.314   2.144
   95   2HD1  LEU  13          2HD1      LEU  13  -1.638 -16.727   0.518
   96   3HD1  LEU  13          3HD1      LEU  13  -0.197 -15.734   0.742
   97   1HD2  LEU  13          1HD2      LEU  13  -3.469 -15.366   2.559
   98   2HD2  LEU  13          2HD2      LEU  13  -4.104 -14.182   1.416
   99   3HD2  LEU  13          3HD2      LEU  13  -3.847 -15.850   0.905
  100    H    GLY  14           H        GLY  14   0.480 -12.037   2.716
  101   1HA   GLY  14          1HA       GLY  14   1.526 -10.864   4.404
  102   2HA   GLY  14          2HA       GLY  14  -0.036 -10.853   5.219
  103    H    TYR  15           H        TYR  15   0.350  -8.717   5.963
  104    HA   TYR  15           HA       TYR  15   0.194  -6.643   3.857
  105   1HB   TYR  15          1HB       TYR  15  -1.340  -6.873   6.443
  106   2HB   TYR  15          2HB       TYR  15  -1.141  -5.331   5.612
  107    HD1  TYR  15           HD1      TYR  15  -1.946  -5.086   3.235
  108    HD2  TYR  15           HD2      TYR  15  -2.868  -8.522   5.640
  109    HE1  TYR  15           HE1      TYR  15  -3.780  -5.682   1.678
  110    HE2  TYR  15           HE2      TYR  15  -4.703  -9.120   4.083
  111    HH   TYR  15           HH       TYR  15  -4.989  -8.036   1.078
  112    H    GLN  16           H        GLN  16   0.538  -4.395   5.076
  113    HA   GLN  16           HA       GLN  16   3.275  -4.442   5.965
  114   1HB   GLN  16          1HB       GLN  16   2.206  -2.611   4.568
  115   2HB   GLN  16          2HB       GLN  16   1.376  -2.095   6.024
  116   1HG   GLN  16          1HG       GLN  16   4.145  -2.444   6.658
  117   2HG   GLN  16          2HG       GLN  16   4.042  -1.487   5.188
  118   2HE2  GLN  16          2HE2      GLN  16   2.438  -1.643   8.427
  119   1HE2  GLN  16          1HE2      GLN  16   2.305   0.036   8.591
  120    H    LYS  17           H        LYS  17   4.098  -3.896   7.971
  121    HA   LYS  17           HA       LYS  17   2.143  -3.693  10.176
  122   1HB   LYS  17          1HB       LYS  17   4.519  -5.487   9.896
  123   2HB   LYS  17          2HB       LYS  17   4.104  -4.876  11.498
  124   1HG   LYS  17          1HG       LYS  17   2.816  -6.808  11.435
  125   2HG   LYS  17          2HG       LYS  17   1.664  -5.629  10.804
  126   1HD   LYS  17          1HD       LYS  17   1.777  -6.455   8.665
  127   2HD   LYS  17          2HD       LYS  17   3.470  -6.924   8.824
  128   1HE   LYS  17          1HE       LYS  17   2.499  -8.666  10.560
  129   2HE   LYS  17          2HE       LYS  17   1.005  -8.413   9.658
  130   1HZ   LYS  17          1HZ       LYS  17   3.617  -9.195   8.481
  131   2HZ   LYS  17          2HZ       LYS  17   2.305 -10.238   8.745
  132   3HZ   LYS  17          3HZ       LYS  17   2.168  -8.969   7.624
  133    H    ARG  18           H        ARG  18   4.475  -2.043   8.540
  134    HA   ARG  18           HA       ARG  18   5.209  -0.462  10.929
  135   1HB   ARG  18          1HB       ARG  18   7.355   0.089   9.680
  136   2HB   ARG  18          2HB       ARG  18   7.248  -1.552  10.311
  137   1HG   ARG  18          1HG       ARG  18   7.289  -2.469   8.240
  138   2HG   ARG  18          2HG       ARG  18   6.126  -1.304   7.609
  139   1HD   ARG  18          1HD       ARG  18   8.390  -1.154   6.534
  140   2HD   ARG  18          2HD       ARG  18   7.860   0.348   7.283
  141    HE   ARG  18           HE       ARG  18   9.454  -1.304   9.038
  142   1HH1  ARG  18          1HH1      ARG  18   9.536   1.121   6.515
  143   2HH1  ARG  18          2HH1      ARG  18  11.097   1.708   6.974
  144   1HH2  ARG  18          1HH2      ARG  18  11.487  -0.509   9.602
  145   2HH2  ARG  18          2HH2      ARG  18  12.194   0.795   8.706
  146    HA   PRO  19           HA       PRO  19   2.809   2.143   8.041
  147   1HB   PRO  19          1HB       PRO  19   2.386   4.178   9.846
  148   2HB   PRO  19          2HB       PRO  19   1.372   2.736   9.681
  149   1HG   PRO  19          1HG       PRO  19   3.506   3.322  11.692
  150   2HG   PRO  19          2HG       PRO  19   1.949   2.501  11.907
  151   1HD   PRO  19          1HD       PRO  19   4.309   1.134  11.713
  152   2HD   PRO  19          2HD       PRO  19   2.764   0.462  11.134
  153    H    LEU  20           H        LEU  20   3.530   3.482   6.598
  154    HA   LEU  20           HA       LEU  20   6.113   4.793   6.974
  155   1HB   LEU  20          1HB       LEU  20   4.717   5.214   4.424
  156   2HB   LEU  20          2HB       LEU  20   6.355   4.685   4.731
  157    HG   LEU  20           HG       LEU  20   3.866   2.958   4.700
  158   1HD1  LEU  20          1HD1      LEU  20   5.202   3.892   2.569
  159   2HD1  LEU  20          2HD1      LEU  20   6.236   2.515   2.949
  160   3HD1  LEU  20          3HD1      LEU  20   4.524   2.265   2.610
  161   1HD2  LEU  20          1HD2      LEU  20   5.869   2.423   6.352
  162   2HD2  LEU  20          2HD2      LEU  20   5.141   1.140   5.386
  163   3HD2  LEU  20          3HD2      LEU  20   6.657   1.876   4.873
  164    HA   PRO  21           HA       PRO  21   4.257   8.806   7.364
  165   1HB   PRO  21          1HB       PRO  21   6.312  10.386   6.500
  166   2HB   PRO  21          2HB       PRO  21   6.318   9.533   8.053
  167   1HG   PRO  21          1HG       PRO  21   7.857   8.958   5.601
  168   2HG   PRO  21          2HG       PRO  21   8.201   8.510   7.277
  169   1HD   PRO  21          1HD       PRO  21   7.089   6.839   5.233
  170   2HD   PRO  21          2HD       PRO  21   7.318   6.433   6.951
  171    H    GLN  22           H        GLN  22   2.851   9.983   6.152
  172    HA   GLN  22           HA       GLN  22   2.680   9.649   3.326
  173   1HB   GLN  22          1HB       GLN  22   0.771  10.175   4.938
  174   2HB   GLN  22          2HB       GLN  22   1.341  11.844   4.902
  175   1HG   GLN  22          1HG       GLN  22   1.013  10.524   2.260
  176   2HG   GLN  22          2HG       GLN  22  -0.474  10.869   3.143
  177   2HE2  GLN  22          2HE2      GLN  22   1.104  12.208   0.734
  178   1HE2  GLN  22          1HE2      GLN  22   1.020  13.857   1.127
  179    H    VAL  23           H        VAL  23   4.627  11.684   5.236
  180    HA   VAL  23           HA       VAL  23   4.745  14.082   3.884
  181    HB   VAL  23           HB       VAL  23   5.933  13.591   5.991
  182   1HG1  VAL  23          1HG1      VAL  23   6.810  11.330   4.809
  183   2HG1  VAL  23          2HG1      VAL  23   8.217  12.360   4.538
  184   3HG1  VAL  23          3HG1      VAL  23   7.637  12.072   6.179
  185   1HG2  VAL  23          1HG2      VAL  23   6.660  15.359   4.129
  186   2HG2  VAL  23          2HG2      VAL  23   7.605  15.132   5.601
  187   3HG2  VAL  23          3HG2      VAL  23   8.113  14.360   4.100
  188    H    LEU  24           H        LEU  24   5.854  10.965   2.785
  189    HA   LEU  24           HA       LEU  24   6.923  12.299   0.378
  190   1HB   LEU  24          1HB       LEU  24   8.813  10.964   0.266
  191   2HB   LEU  24          2HB       LEU  24   8.708  11.417   1.948
  192    HG   LEU  24           HG       LEU  24   9.336   9.172   2.018
  193   1HD1  LEU  24          1HD1      LEU  24   7.255   9.675   3.369
  194   2HD1  LEU  24          2HD1      LEU  24   6.322   8.928   2.073
  195   3HD1  LEU  24          3HD1      LEU  24   7.496   7.973   2.977
  196   1HD2  LEU  24          1HD2      LEU  24   8.581   9.015  -0.547
  197   2HD2  LEU  24          2HD2      LEU  24   8.853   7.575   0.436
  198   3HD2  LEU  24          3HD2      LEU  24   7.213   8.170   0.180
  199    H    LEU  25           H        LEU  25   4.546  10.279   1.456
  200    HA   LEU  25           HA       LEU  25   4.615   8.204  -0.499
  201   1HB   LEU  25          1HB       LEU  25   3.158   8.581   1.711
  202   2HB   LEU  25          2HB       LEU  25   2.018   9.204   0.542
  203    HG   LEU  25           HG       LEU  25   1.923   7.068  -0.588
  204   1HD1  LEU  25          1HD1      LEU  25   4.344   6.546   1.067
  205   2HD1  LEU  25          2HD1      LEU  25   3.255   5.185   0.801
  206   3HD1  LEU  25          3HD1      LEU  25   3.970   6.022  -0.575
  207   1HD2  LEU  25          1HD2      LEU  25   1.568   7.222   2.368
  208   2HD2  LEU  25          2HD2      LEU  25   0.373   6.917   1.108
  209   3HD2  LEU  25          3HD2      LEU  25   1.452   5.624   1.630
  210    H    SER  26           H        SER  26   2.731   8.020  -2.135
  211    HA   SER  26           HA       SER  26   2.383  10.631  -3.490
  212   1HB   SER  26          1HB       SER  26   3.934   8.608  -4.462
  213   2HB   SER  26          2HB       SER  26   2.385   8.237  -5.214
  214    HG   SER  26           HG       SER  26   4.128  10.108  -5.883
  215    H    SER  27           H        SER  27   1.155   7.312  -3.966
  216    HA   SER  27           HA       SER  27  -1.564   8.153  -3.345
  217   1HB   SER  27          1HB       SER  27  -2.501   7.730  -5.498
  218   2HB   SER  27          2HB       SER  27  -1.127   8.797  -5.771
  219    HG   SER  27           HG       SER  27  -0.685   7.238  -7.161
  220    H    TRP  28           H        TRP  28  -2.895   6.005  -4.574
  221    HA   TRP  28           HA       TRP  28  -1.535   3.545  -3.786
  222   1HB   TRP  28          1HB       TRP  28  -3.467   2.885  -2.305
  223   2HB   TRP  28          2HB       TRP  28  -2.446   4.163  -1.648
  224    HD1  TRP  28           HD1      TRP  28  -3.407   6.662  -1.699
  225    HE1  TRP  28           HE1      TRP  28  -5.823   7.556  -1.779
  226    HE3  TRP  28           HE3      TRP  28  -5.868   2.440  -3.201
  227    HZ2  TRP  28           HZ2      TRP  28  -8.448   6.604  -2.400
  228    HZ3  TRP  28           HZ3      TRP  28  -8.320   2.467  -3.532
  229    HH2  TRP  28           HH2      TRP  28  -9.614   4.543  -3.132
  230    H    TYR  29           H        TYR  29  -2.303   1.770  -4.855
  231    HA   TYR  29           HA       TYR  29  -4.683   2.203  -6.549
  232   1HB   TYR  29          1HB       TYR  29  -3.700   0.974  -8.329
  233   2HB   TYR  29          2HB       TYR  29  -2.463   2.096  -7.783
  234    HD1  TYR  29           HD1      TYR  29  -0.545   1.266  -6.379
  235    HD2  TYR  29           HD2      TYR  29  -3.429  -1.397  -8.129
  236    HE1  TYR  29           HE1      TYR  29   0.999  -0.641  -6.032
  237    HE2  TYR  29           HE2      TYR  29  -1.881  -3.302  -7.780
  238    HH   TYR  29           HH       TYR  29   0.137  -3.730  -6.023
  239    HA   PRO  30           HA       PRO  30  -6.155  -1.382  -4.358
  240   1HB   PRO  30          1HB       PRO  30  -8.493  -1.736  -5.724
  241   2HB   PRO  30          2HB       PRO  30  -8.242  -0.463  -4.519
  242   1HG   PRO  30          1HG       PRO  30  -8.410  -0.252  -7.463
  243   2HG   PRO  30          2HG       PRO  30  -8.736   0.968  -6.224
  244   1HD   PRO  30          1HD       PRO  30  -6.383   0.740  -7.818
  245   2HD   PRO  30          2HD       PRO  30  -6.640   1.837  -6.441
  246    H    THR  31           H        THR  31  -6.318  -3.620  -4.574
  247    HA   THR  31           HA       THR  31  -5.472  -4.702  -7.189
  248    HB   THR  31           HB       THR  31  -3.933  -5.238  -5.392
  249    HG1  THR  31           HG1      THR  31  -4.001  -7.459  -5.579
  250   1HG2  THR  31          1HG2      THR  31  -6.462  -5.770  -3.946
  251   2HG2  THR  31          2HG2      THR  31  -5.137  -6.884  -3.608
  252   3HG2  THR  31          3HG2      THR  31  -4.925  -5.154  -3.340
  253    H    SER  32           H        SER  32  -6.219  -7.154  -7.312
  254    HA   SER  32           HA       SER  32  -8.985  -7.143  -7.809
  255   1HB   SER  32          1HB       SER  32  -7.674  -9.749  -7.234
  256   2HB   SER  32          2HB       SER  32  -8.707  -9.281  -8.580
  257    HG   SER  32           HG       SER  32  -6.893  -7.956  -9.278
  258    H    GLN  33           H        GLN  33 -10.698  -7.404  -6.532
  259    HA   GLN  33           HA       GLN  33 -10.264  -8.150  -3.731
  260   1HB   GLN  33          1HB       GLN  33 -12.588  -7.296  -3.436
  261   2HB   GLN  33          2HB       GLN  33 -11.477  -6.083  -4.063
  262   1HG   GLN  33          1HG       GLN  33 -12.407  -6.148  -6.201
  263   2HG   GLN  33          2HG       GLN  33 -13.045  -7.779  -5.982
  264   2HE2  GLN  33          2HE2      GLN  33 -13.497  -4.423  -4.758
  265   1HE2  GLN  33          1HE2      GLN  33 -15.156  -4.603  -4.449
  266    H    LEU  34           H        LEU  34 -10.290 -10.130  -5.946
  267    HA   LEU  34           HA       LEU  34 -12.672 -11.693  -5.154
  268   1HB   LEU  34          1HB       LEU  34 -12.324 -12.947  -7.251
  269   2HB   LEU  34          2HB       LEU  34 -12.690 -11.256  -7.511
  270    HG   LEU  34           HG       LEU  34 -10.008 -11.109  -7.586
  271   1HD1  LEU  34          1HD1      LEU  34 -10.741 -13.962  -8.081
  272   2HD1  LEU  34          2HD1      LEU  34  -9.472 -13.240  -9.070
  273   3HD1  LEU  34          3HD1      LEU  34  -9.302 -13.291  -7.315
  274   1HD2  LEU  34          1HD2      LEU  34 -11.851 -11.998  -9.820
  275   2HD2  LEU  34          2HD2      LEU  34 -11.486 -10.336  -9.354
  276   3HD2  LEU  34          3HD2      LEU  34 -10.229 -11.348 -10.067
  277    H    CYS  35           H        CYS  35 -10.193 -11.490  -3.647
  278    HA   CYS  35           HA       CYS  35  -9.235 -14.282  -3.895
  279   1HB   CYS  35          1HB       CYS  35  -7.709 -11.916  -2.780
  280   2HB   CYS  35          2HB       CYS  35  -7.100 -13.559  -2.975
  281    H    SER  36           H        SER  36  -7.983 -14.676  -1.584
  282    HA   SER  36           HA       SER  36 -10.053 -15.129   0.271
  283   1HB   SER  36          1HB       SER  36  -7.051 -15.166   0.541
  284   2HB   SER  36          2HB       SER  36  -8.120 -15.544   1.888
  285    HG   SER  36           HG       SER  36  -8.034 -16.819  -0.652
  286    H    LYS  37           H        LYS  37  -7.340 -12.834   0.440
  287    HA   LYS  37           HA       LYS  37  -9.059 -10.972   1.930
  288   1HB   LYS  37          1HB       LYS  37  -7.139 -10.538   3.521
  289   2HB   LYS  37          2HB       LYS  37  -7.951 -12.089   3.732
  290   1HG   LYS  37          1HG       LYS  37  -6.125 -13.283   3.077
  291   2HG   LYS  37          2HG       LYS  37  -5.698 -12.127   1.817
  292   1HD   LYS  37          1HD       LYS  37  -4.368 -10.886   3.211
  293   2HD   LYS  37          2HD       LYS  37  -5.388 -11.187   4.619
  294   1HE   LYS  37          1HE       LYS  37  -3.719 -13.374   3.373
  295   2HE   LYS  37          2HE       LYS  37  -3.067 -12.299   4.610
  296   1HZ   LYS  37          1HZ       LYS  37  -5.642 -13.647   5.059
  297   2HZ   LYS  37          2HZ       LYS  37  -4.196 -14.507   5.296
  298   3HZ   LYS  37          3HZ       LYS  37  -4.502 -13.101   6.194
  299    HA   PRO  38           HA       PRO  38  -6.482  -8.743  -1.141
  300   1HB   PRO  38          1HB       PRO  38  -8.505  -7.213  -2.155
  301   2HB   PRO  38          2HB       PRO  38  -8.130  -8.847  -2.724
  302   1HG   PRO  38          1HG       PRO  38 -10.394  -7.910  -1.070
  303   2HG   PRO  38          2HG       PRO  38 -10.274  -9.333  -2.115
  304   1HD   PRO  38          1HD       PRO  38 -10.053  -9.278   0.727
  305   2HD   PRO  38          2HD       PRO  38  -9.740 -10.665  -0.343
  306    H    GLY  39           H        GLY  39  -6.054  -6.393  -1.403
  307   1HA   GLY  39          1HA       GLY  39  -5.454  -5.000   0.823
  308   2HA   GLY  39          2HA       GLY  39  -7.147  -4.576   0.587
  309    H    VAL  40           H        VAL  40  -4.635  -2.961   0.392
  310    HA   VAL  40           HA       VAL  40  -4.714  -2.185  -2.452
  311    HB   VAL  40           HB       VAL  40  -4.865  -0.166  -0.205
  312   1HG1  VAL  40          1HG1      VAL  40  -3.933   0.192  -2.701
  313   2HG1  VAL  40          2HG1      VAL  40  -5.654   0.412  -3.006
  314   3HG1  VAL  40          3HG1      VAL  40  -4.830   1.435  -1.831
  315   1HG2  VAL  40          1HG2      VAL  40  -6.932  -1.656  -0.507
  316   2HG2  VAL  40          2HG2      VAL  40  -7.187   0.082  -0.648
  317   3HG2  VAL  40          3HG2      VAL  40  -7.093  -0.914  -2.099
  318    H    ILE  41           H        ILE  41  -2.821  -1.426  -3.263
  319    HA   ILE  41           HA       ILE  41  -0.500  -1.548  -1.454
  320    HB   ILE  41           HB       ILE  41  -0.770  -1.958  -4.437
  321   1HG1  ILE  41          1HG1      ILE  41   0.464  -4.121  -3.616
  322   2HG1  ILE  41          2HG1      ILE  41  -0.157  -3.643  -2.036
  323   1HG2  ILE  41          1HG2      ILE  41   1.765  -1.792  -2.770
  324   2HG2  ILE  41          2HG2      ILE  41   1.691  -2.371  -4.435
  325   3HG2  ILE  41          3HG2      ILE  41   1.299  -0.690  -4.067
  326   1HD1  ILE  41          1HD1      ILE  41  -2.024  -3.682  -4.384
  327   2HD1  ILE  41          2HD1      ILE  41  -1.604  -5.202  -3.594
  328   3HD1  ILE  41          3HD1      ILE  41  -2.380  -3.915  -2.671
  329    H    PHE  42           H        PHE  42   0.619   0.235  -1.020
  330    HA   PHE  42           HA       PHE  42  -0.187   2.755  -2.246
  331   1HB   PHE  42          1HB       PHE  42   1.589   2.022   0.076
  332   2HB   PHE  42          2HB       PHE  42   1.593   3.651  -0.598
  333    HD1  PHE  42           HD1      PHE  42  -0.538   1.055   0.981
  334    HD2  PHE  42           HD2      PHE  42  -0.221   5.162  -0.231
  335    HE1  PHE  42           HE1      PHE  42  -2.605   1.586   2.239
  336    HE2  PHE  42           HE2      PHE  42  -2.291   5.694   1.026
  337    HZ   PHE  42           HZ       PHE  42  -3.482   3.907   2.266
  338    H    LEU  43           H        LEU  43   1.515   4.297  -2.921
  339    HA   LEU  43           HA       LEU  43   3.939   3.028  -3.999
  340   1HB   LEU  43          1HB       LEU  43   2.433   4.905  -5.758
  341   2HB   LEU  43          2HB       LEU  43   3.597   3.674  -6.189
  342    HG   LEU  43           HG       LEU  43   0.897   2.901  -5.112
  343   1HD1  LEU  43          1HD1      LEU  43   1.611   3.632  -7.967
  344   2HD1  LEU  43          2HD1      LEU  43   0.142   2.779  -7.495
  345   3HD1  LEU  43          3HD1      LEU  43   0.417   4.432  -6.944
  346   1HD2  LEU  43          1HD2      LEU  43   3.192   1.638  -6.521
  347   2HD2  LEU  43          2HD2      LEU  43   2.089   0.952  -5.329
  348   3HD2  LEU  43          3HD2      LEU  43   1.586   1.100  -7.013
  349    H    THR  44           H        THR  44   5.298   4.190  -2.681
  350    HA   THR  44           HA       THR  44   4.991   6.926  -2.029
  351    HB   THR  44           HB       THR  44   7.340   6.825  -1.326
  352    HG1  THR  44           HG1      THR  44   7.286   4.306  -2.624
  353   1HG2  THR  44          1HG2      THR  44   5.417   4.647  -0.663
  354   2HG2  THR  44          2HG2      THR  44   7.066   4.484  -0.060
  355   3HG2  THR  44          3HG2      THR  44   6.103   5.895   0.377
  356    H    LYS  45           H        LYS  45   6.689   8.598  -2.664
  357    HA   LYS  45           HA       LYS  45   6.471   9.160  -5.417
  358   1HB   LYS  45          1HB       LYS  45   8.266  10.272  -3.259
  359   2HB   LYS  45          2HB       LYS  45   8.306  10.868  -4.920
  360   1HG   LYS  45          1HG       LYS  45   6.244  11.862  -4.761
  361   2HG   LYS  45          2HG       LYS  45   5.623  10.637  -3.654
  362   1HD   LYS  45          1HD       LYS  45   5.847  12.356  -2.146
  363   2HD   LYS  45          2HD       LYS  45   7.491  11.726  -2.057
  364   1HE   LYS  45          1HE       LYS  45   6.858  13.749  -4.169
  365   2HE   LYS  45          2HE       LYS  45   7.054  14.305  -2.507
  366   1HZ   LYS  45          1HZ       LYS  45   9.029  12.562  -3.862
  367   2HZ   LYS  45          2HZ       LYS  45   9.126  14.257  -3.893
  368   3HZ   LYS  45          3HZ       LYS  45   9.222  13.425  -2.415
  369    H    ARG  46           H        ARG  46   9.359   8.248  -3.536
  370    HA   ARG  46           HA       ARG  46  10.450   6.978  -5.974
  371   1HB   ARG  46          1HB       ARG  46  11.514   9.205  -5.466
  372   2HB   ARG  46          2HB       ARG  46  12.093   8.498  -3.955
  373   1HG   ARG  46          1HG       ARG  46  13.519   7.000  -5.047
  374   2HG   ARG  46          2HG       ARG  46  12.613   7.087  -6.558
  375   1HD   ARG  46          1HD       ARG  46  14.518   8.368  -7.030
  376   2HD   ARG  46          2HD       ARG  46  13.329   9.586  -6.579
  377    HE   ARG  46           HE       ARG  46  14.689  10.121  -4.793
  378   1HH1  ARG  46          1HH1      ARG  46  15.376   6.837  -5.794
  379   2HH1  ARG  46          2HH1      ARG  46  16.667   6.641  -4.659
  380   1HH2  ARG  46          1HH2      ARG  46  16.379   9.822  -3.329
  381   2HH2  ARG  46          2HH2      ARG  46  17.231   8.316  -3.275
  382    H    GLY  47           H        GLY  47   9.392   6.392  -2.901
  383   1HA   GLY  47          1HA       GLY  47   9.892   4.848  -1.260
  384   2HA   GLY  47          2HA       GLY  47  11.515   4.722  -1.930
  385    H    ARG  48           H        ARG  48   8.551   3.193  -1.544
  386    HA   ARG  48           HA       ARG  48   8.787   1.447  -3.870
  387   1HB   ARG  48          1HB       ARG  48   9.682   0.680  -1.149
  388   2HB   ARG  48          2HB       ARG  48   8.684  -0.502  -1.993
  389   1HG   ARG  48          1HG       ARG  48  10.274  -0.029  -4.014
  390   2HG   ARG  48          2HG       ARG  48  11.363   0.612  -2.783
  391   1HD   ARG  48          1HD       ARG  48  10.102  -2.046  -2.279
  392   2HD   ARG  48          2HD       ARG  48  11.399  -1.966  -3.468
  393    HE   ARG  48           HE       ARG  48  11.662  -1.682  -0.605
  394   1HH1  ARG  48          1HH1      ARG  48  13.058  -0.868  -3.709
  395   2HH1  ARG  48          2HH1      ARG  48  14.648  -0.648  -3.065
  396   1HH2  ARG  48          1HH2      ARG  48  13.749  -1.386   0.195
  397   2HH2  ARG  48          2HH2      ARG  48  15.038  -0.939  -0.873
  398    H    GLN  49           H        GLN  49   7.184  -0.573  -3.273
  399    HA   GLN  49           HA       GLN  49   4.614   0.738  -2.751
  400   1HB   GLN  49          1HB       GLN  49   5.466  -1.766  -4.156
  401   2HB   GLN  49          2HB       GLN  49   3.824  -1.654  -3.524
  402   1HG   GLN  49          1HG       GLN  49   3.431  -0.691  -5.567
  403   2HG   GLN  49          2HG       GLN  49   3.990   0.755  -4.725
  404   2HE2  GLN  49          2HE2      GLN  49   4.937  -1.742  -7.058
  405   1HE2  GLN  49          1HE2      GLN  49   6.334  -0.947  -7.603
  406    H    VAL  50           H        VAL  50   2.982  -0.472  -1.465
  407    HA   VAL  50           HA       VAL  50   4.047  -2.381   0.478
  408    HB   VAL  50           HB       VAL  50   2.935   0.299   1.351
  409   1HG1  VAL  50          1HG1      VAL  50   2.277  -1.641   2.802
  410   2HG1  VAL  50          2HG1      VAL  50   3.989  -2.001   3.023
  411   3HG1  VAL  50          3HG1      VAL  50   3.323  -0.482   3.622
  412   1HG2  VAL  50          1HG2      VAL  50   5.688  -0.941   1.401
  413   2HG2  VAL  50          2HG2      VAL  50   5.205   0.602   0.697
  414   3HG2  VAL  50          3HG2      VAL  50   5.242   0.406   2.450
  415    H    CYS  51           H        CYS  51   2.582  -3.883   0.851
  416    HA   CYS  51           HA       CYS  51  -0.156  -3.598  -0.048
  417   1HB   CYS  51          1HB       CYS  51   1.540  -5.781   1.067
  418   2HB   CYS  51          2HB       CYS  51  -0.198  -5.917   1.319
  419    H    ALA  52           H        ALA  52  -1.793  -2.804   1.169
  420    HA   ALA  52           HA       ALA  52  -1.825  -3.274   4.040
  421   1HB   ALA  52          1HB       ALA  52  -0.564  -0.991   3.247
  422   2HB   ALA  52          2HB       ALA  52  -2.219  -0.416   3.442
  423   3HB   ALA  52          3HB       ALA  52  -1.388  -1.187   4.793
  424    H    ASP  53           H        ASP  53  -3.836  -3.511   4.756
  425    HA   ASP  53           HA       ASP  53  -6.042  -3.185   2.910
  426   1HB   ASP  53          1HB       ASP  53  -5.659  -4.399   5.606
  427   2HB   ASP  53          2HB       ASP  53  -7.288  -3.880   5.170
  428    H    LYS  54           H        LYS  54  -7.518  -1.586   2.885
  429    HA   LYS  54           HA       LYS  54  -7.020   0.884   4.122
  430   1HB   LYS  54          1HB       LYS  54  -9.365   1.455   3.441
  431   2HB   LYS  54          2HB       LYS  54  -8.384   0.791   2.133
  432   1HG   LYS  54          1HG       LYS  54  -9.566  -1.182   2.060
  433   2HG   LYS  54          2HG       LYS  54  -9.933  -1.148   3.784
  434   1HD   LYS  54          1HD       LYS  54 -11.397   0.930   3.183
  435   2HD   LYS  54          2HD       LYS  54 -11.309   0.303   1.536
  436   1HE   LYS  54          1HE       LYS  54 -12.584  -1.543   2.022
  437   2HE   LYS  54          2HE       LYS  54 -11.977  -1.656   3.674
  438   1HZ   LYS  54          1HZ       LYS  54 -13.271   0.538   3.986
  439   2HZ   LYS  54          2HZ       LYS  54 -14.115   0.054   2.594
  440   3HZ   LYS  54          3HZ       LYS  54 -14.124  -0.928   3.980
  441    H    SER  55           H        SER  55  -8.715  -1.931   5.269
  442    HA   SER  55           HA       SER  55 -10.399  -0.820   7.202
  443   1HB   SER  55          1HB       SER  55  -9.133  -3.448   6.762
  444   2HB   SER  55          2HB       SER  55  -9.627  -3.117   8.418
  445    HG   SER  55           HG       SER  55 -11.418  -3.908   7.462
  446    H    LYS  56           H        LYS  56  -6.934  -1.140   7.162
  447    HA   LYS  56           HA       LYS  56  -6.353  -1.059   9.904
  448   1HB   LYS  56          1HB       LYS  56  -4.904  -0.291   7.417
  449   2HB   LYS  56          2HB       LYS  56  -4.276   0.319   8.948
  450   1HG   LYS  56          1HG       LYS  56  -4.977  -2.595   8.570
  451   2HG   LYS  56          2HG       LYS  56  -3.384  -1.962   8.153
  452   1HD   LYS  56          1HD       LYS  56  -2.855  -1.455  10.364
  453   2HD   LYS  56          2HD       LYS  56  -4.547  -1.337  10.849
  454   1HE   LYS  56          1HE       LYS  56  -4.629  -3.883  10.245
  455   2HE   LYS  56          2HE       LYS  56  -2.875  -3.799  10.412
  456   1HZ   LYS  56          1HZ       LYS  56  -4.642  -2.698  12.500
  457   2HZ   LYS  56          2HZ       LYS  56  -4.274  -4.353  12.468
  458   3HZ   LYS  56          3HZ       LYS  56  -3.028  -3.210  12.629
  459    H    ASP  57           H        ASP  57  -4.988   1.041  10.667
  460    HA   ASP  57           HA       ASP  57  -6.985   3.204  10.702
  461   1HB   ASP  57          1HB       ASP  57  -5.886   2.046  12.816
  462   2HB   ASP  57          2HB       ASP  57  -4.594   3.203  12.493
  463    H    TRP  58           H        TRP  58  -3.426   2.879  10.663
  464    HA   TRP  58           HA       TRP  58  -2.949   5.543   9.860
  465   1HB   TRP  58          1HB       TRP  58  -0.677   4.785   9.276
  466   2HB   TRP  58          2HB       TRP  58  -1.174   4.185  10.855
  467    HD1  TRP  58           HD1      TRP  58  -1.865   1.574  11.013
  468    HE1  TRP  58           HE1      TRP  58  -1.105  -0.444   9.601
  469    HE3  TRP  58           HE3      TRP  58   0.014   4.002   6.942
  470    HZ2  TRP  58           HZ2      TRP  58   0.143  -0.965   7.064
  471    HZ3  TRP  58           HZ3      TRP  58   0.979   2.735   5.048
  472    HH2  TRP  58           HH2      TRP  58   1.051   0.263   5.104
  473    H    VAL  59           H        VAL  59  -3.684   2.642   8.072
  474    HA   VAL  59           HA       VAL  59  -2.970   3.696   5.502
  475    HB   VAL  59           HB       VAL  59  -4.833   1.413   6.191
  476   1HG1  VAL  59          1HG1      VAL  59  -3.658   2.497   3.662
  477   2HG1  VAL  59          2HG1      VAL  59  -3.797   0.746   3.822
  478   3HG1  VAL  59          3HG1      VAL  59  -5.236   1.758   3.937
  479   1HG2  VAL  59          1HG2      VAL  59  -1.845   1.626   5.826
  480   2HG2  VAL  59          2HG2      VAL  59  -2.736   0.868   7.145
  481   3HG2  VAL  59          3HG2      VAL  59  -2.693   0.104   5.556
  482    H    LYS  60           H        LYS  60  -5.961   3.359   7.354
  483    HA   LYS  60           HA       LYS  60  -7.787   4.267   5.448
  484   1HB   LYS  60          1HB       LYS  60  -8.280   3.320   7.768
  485   2HB   LYS  60          2HB       LYS  60  -7.975   4.945   8.383
  486   1HG   LYS  60          1HG       LYS  60  -9.781   5.869   7.144
  487   2HG   LYS  60          2HG       LYS  60  -9.925   4.430   6.134
  488   1HD   LYS  60          1HD       LYS  60 -10.672   3.118   8.064
  489   2HD   LYS  60          2HD       LYS  60 -10.466   4.517   9.118
  490   1HE   LYS  60          1HE       LYS  60 -12.763   4.573   8.627
  491   2HE   LYS  60          2HE       LYS  60 -12.085   5.710   7.461
  492   1HZ   LYS  60          1HZ       LYS  60 -11.928   3.731   5.917
  493   2HZ   LYS  60          2HZ       LYS  60 -12.939   2.915   7.007
  494   3HZ   LYS  60          3HZ       LYS  60 -13.489   4.323   6.232
  495    H    LYS  61           H        LYS  61  -5.565   6.058   7.503
  496    HA   LYS  61           HA       LYS  61  -6.731   8.629   6.914
  497   1HB   LYS  61          1HB       LYS  61  -4.245   7.680   8.290
  498   2HB   LYS  61          2HB       LYS  61  -4.343   9.362   7.767
  499   1HG   LYS  61          1HG       LYS  61  -6.582   9.490   8.957
  500   2HG   LYS  61          2HG       LYS  61  -6.217   7.909   9.649
  501   1HD   LYS  61          1HD       LYS  61  -5.491   9.529  11.260
  502   2HD   LYS  61          2HD       LYS  61  -4.030   8.914  10.483
  503   1HE   LYS  61          1HE       LYS  61  -3.904  10.857   9.042
  504   2HE   LYS  61          2HE       LYS  61  -5.466  11.438   9.618
  505   1HZ   LYS  61          1HZ       LYS  61  -3.297  10.942  11.540
  506   2HZ   LYS  61          2HZ       LYS  61  -3.295  12.378  10.631
  507   3HZ   LYS  61          3HZ       LYS  61  -4.605  12.021  11.649
  508    H    LEU  62           H        LEU  62  -4.124   6.650   5.624
  509    HA   LEU  62           HA       LEU  62  -3.058   8.643   3.877
  510   1HB   LEU  62          1HB       LEU  62  -2.934   5.636   3.737
  511   2HB   LEU  62          2HB       LEU  62  -2.030   6.717   2.700
  512    HG   LEU  62           HG       LEU  62  -1.706   7.019   5.652
  513   1HD1  LEU  62          1HD1      LEU  62  -0.944   4.643   4.019
  514   2HD1  LEU  62          2HD1      LEU  62   0.255   5.258   5.158
  515   3HD1  LEU  62          3HD1      LEU  62  -1.333   4.754   5.735
  516   1HD2  LEU  62          1HD2      LEU  62  -0.241   7.593   3.129
  517   2HD2  LEU  62          2HD2      LEU  62  -0.316   8.526   4.622
  518   3HD2  LEU  62          3HD2      LEU  62   0.752   7.127   4.509
  519    H    MET  63           H        MET  63  -5.378   6.000   3.501
  520    HA   MET  63           HA       MET  63  -5.851   6.209   0.748
  521   1HB   MET  63          1HB       MET  63  -7.779   5.469   2.961
  522   2HB   MET  63          2HB       MET  63  -8.091   5.234   1.245
  523   1HG   MET  63          1HG       MET  63  -5.744   4.034   2.740
  524   2HG   MET  63          2HG       MET  63  -7.228   3.169   2.357
  525   1HE   MET  63          1HE       MET  63  -7.915   2.273   0.538
  526   2HE   MET  63          2HE       MET  63  -8.022   3.509  -0.712
  527   3HE   MET  63          3HE       MET  63  -7.095   2.041  -1.012
  528    H    GLN  64           H        GLN  64  -7.319   7.925   3.461
  529    HA   GLN  64           HA       GLN  64  -9.079   9.474   1.765
  530   1HB   GLN  64          1HB       GLN  64  -9.483   8.834   4.229
  531   2HB   GLN  64          2HB       GLN  64  -8.368  10.146   4.615
  532   1HG   GLN  64          1HG       GLN  64  -9.898  11.513   2.946
  533   2HG   GLN  64          2HG       GLN  64 -11.088  10.278   3.359
  534   2HE2  GLN  64          2HE2      GLN  64 -11.237   9.879   5.877
  535   1HE2  GLN  64          1HE2      GLN  64 -11.200  11.272   6.845
  536    H    GLN  65           H        GLN  65  -5.912   9.836   3.213
  537    HA   GLN  65           HA       GLN  65  -5.689  12.660   2.791
  538   1HB   GLN  65          1HB       GLN  65  -3.815  10.456   3.538
  539   2HB   GLN  65          2HB       GLN  65  -3.143  11.989   2.982
  540   1HG   GLN  65          1HG       GLN  65  -5.332  12.259   4.949
  541   2HG   GLN  65          2HG       GLN  65  -3.884  11.474   5.572
  542   2HE2  GLN  65          2HE2      GLN  65  -1.830  12.801   4.255
  543   1HE2  GLN  65          1HE2      GLN  65  -1.865  14.455   4.634
  544    H    LEU  66           H        LEU  66  -4.973   9.791   0.902
  545    HA   LEU  66           HA       LEU  66  -3.871  11.488  -1.254
  546   1HB   LEU  66          1HB       LEU  66  -3.714   8.495  -0.916
  547   2HB   LEU  66          2HB       LEU  66  -2.965   9.428  -2.191
  548    HG   LEU  66           HG       LEU  66  -2.265   9.507   0.753
  549   1HD1  LEU  66          1HD1      LEU  66  -1.490   7.527  -0.596
  550   2HD1  LEU  66          2HD1      LEU  66  -0.632   8.648  -1.653
  551   3HD1  LEU  66          3HD1      LEU  66  -0.174   8.511   0.044
  552   1HD2  LEU  66          1HD2      LEU  66  -1.208  11.085  -1.614
  553   2HD2  LEU  66          2HD2      LEU  66  -2.014  11.734  -0.186
  554   3HD2  LEU  66          3HD2      LEU  66  -0.411  11.014  -0.043
  555    HA   PRO  67           HA       PRO  67  -7.569  10.674  -3.515
  556   1HB   PRO  67          1HB       PRO  67  -6.673  11.036  -6.081
  557   2HB   PRO  67          2HB       PRO  67  -6.983  12.359  -4.946
  558   1HG   PRO  67          1HG       PRO  67  -4.394  11.217  -5.843
  559   2HG   PRO  67          2HG       PRO  67  -4.780  12.861  -5.315
  560   1HD   PRO  67          1HD       PRO  67  -3.495  10.900  -3.757
  561   2HD   PRO  67          2HD       PRO  67  -4.235  12.396  -3.140
  562    H    VAL  68           H        VAL  68  -5.310   9.448  -5.963
  563    HA   VAL  68           HA       VAL  68  -5.348   6.746  -5.337
  564    HB   VAL  68           HB       VAL  68  -7.921   7.425  -5.945
  565   1HG1  VAL  68          1HG1      VAL  68  -6.744   6.381  -8.535
  566   2HG1  VAL  68          2HG1      VAL  68  -8.466   6.535  -8.178
  567   3HG1  VAL  68          3HG1      VAL  68  -7.456   7.976  -8.291
  568   1HG2  VAL  68          1HG2      VAL  68  -6.853   5.278  -5.046
  569   2HG2  VAL  68          2HG2      VAL  68  -8.330   5.098  -5.994
  570   3HG2  VAL  68          3HG2      VAL  68  -6.764   4.755  -6.728
  571    H    THR  69           H        THR  69  -4.914   5.366  -7.387
  572    HA   THR  69           HA       THR  69  -2.801   6.718  -8.833
  573    HB   THR  69           HB       THR  69  -2.931   4.295 -10.031
  574    HG1  THR  69           HG1      THR  69  -3.778   3.765  -7.391
  575   1HG2  THR  69          1HG2      THR  69  -1.204   5.541  -8.400
  576   2HG2  THR  69          2HG2      THR  69  -1.777   4.301  -7.284
  577   3HG2  THR  69          3HG2      THR  69  -1.036   3.836  -8.815
  578    H    ALA  70           H        ALA  70  -5.543   4.721  -9.946
  579    HA   ALA  70           HA       ALA  70  -5.463   5.641 -12.614
  580   1HB   ALA  70          1HB       ALA  70  -6.685   3.695 -12.460
  581   2HB   ALA  70          2HB       ALA  70  -7.448   4.169 -10.942
  582   3HB   ALA  70          3HB       ALA  70  -8.002   4.868 -12.464
  583    H    ARG  71           H        ARG  71  -8.104   6.275 -10.311
  584    HA   ARG  71           HA       ARG  71  -8.022   9.090 -10.481
  585   1HB   ARG  71          1HB       ARG  71  -8.678   8.478 -12.877
  586   2HB   ARG  71          2HB       ARG  71 -10.213   7.929 -12.201
  587   1HG   ARG  71          1HG       ARG  71 -10.334  10.244 -11.070
  588   2HG   ARG  71          2HG       ARG  71  -9.055  10.716 -12.189
  589   1HD   ARG  71          1HD       ARG  71 -11.795   9.653 -12.915
  590   2HD   ARG  71          2HD       ARG  71 -11.197  11.288 -13.177
  591    HE   ARG  71           HE       ARG  71 -10.698   9.001 -14.839
  592   1HH1  ARG  71          1HH1      ARG  71  -9.331  12.017 -13.703
  593   2HH1  ARG  71          2HH1      ARG  71  -8.316  12.210 -15.089
  594   1HH2  ARG  71          1HH2      ARG  71  -9.357   9.292 -16.629
  595   2HH2  ARG  71          2HH2      ARG  71  -8.329  10.681 -16.734

  No H/Q in entry =         595
  Start of MODEL   16
    1    H1   LEU   1           H1       LEU   1  -6.352 -23.909   3.004
    2    H2   LEU   1           H2       LEU   1  -7.409 -23.643   1.705
    3    H3   LEU   1           H3       LEU   1  -7.416 -25.138   2.512
    4    HA   LEU   1           HA       LEU   1  -5.442 -25.832   1.579
    5   1HB   LEU   1          1HB       LEU   1  -7.464 -25.161  -0.067
    6   2HB   LEU   1          2HB       LEU   1  -6.215 -24.100  -0.717
    7    HG   LEU   1           HG       LEU   1  -5.426 -26.915  -0.149
    8   1HD1  LEU   1          1HD1      LEU   1  -7.689 -27.059  -1.246
    9   2HD1  LEU   1          2HD1      LEU   1  -7.027 -26.158  -2.610
   10   3HD1  LEU   1          3HD1      LEU   1  -6.385 -27.751  -2.211
   11   1HD2  LEU   1          1HD2      LEU   1  -3.950 -25.058  -1.097
   12   2HD2  LEU   1          2HD2      LEU   1  -3.988 -26.552  -2.032
   13   3HD2  LEU   1          3HD2      LEU   1  -4.926 -25.155  -2.562
   14    H    GLY   2           H        GLY   2  -3.322 -25.424   1.110
   15   1HA   GLY   2          1HA       GLY   2  -1.822 -23.481   2.070
   16   2HA   GLY   2          2HA       GLY   2  -2.451 -22.659   0.645
   17    H    ALA   3           H        ALA   3  -0.118 -22.561   0.104
   18    HA   ALA   3           HA       ALA   3   1.379 -24.897  -0.509
   19   1HB   ALA   3          1HB       ALA   3  -0.176 -25.291  -2.292
   20   2HB   ALA   3          2HB       ALA   3   1.289 -24.634  -3.021
   21   3HB   ALA   3          3HB       ALA   3  -0.121 -23.601  -2.791
   22    H    SER   4           H        SER   4   3.437 -24.287  -0.512
   23    HA   SER   4           HA       SER   4   5.326 -22.980  -0.627
   24   1HB   SER   4          1HB       SER   4   4.784 -22.818  -3.015
   25   2HB   SER   4          2HB       SER   4   3.700 -21.469  -2.688
   26    HG   SER   4           HG       SER   4   5.628 -20.573  -3.246
   27    H    TRP   5           H        TRP   5   6.117 -20.659  -0.357
   28    HA   TRP   5           HA       TRP   5   4.305 -19.283   1.532
   29   1HB   TRP   5          1HB       TRP   5   7.174 -18.519   1.522
   30   2HB   TRP   5          2HB       TRP   5   6.070 -18.727   2.875
   31    HD1  TRP   5           HD1      TRP   5   6.129 -20.986   4.139
   32    HE1  TRP   5           HE1      TRP   5   7.502 -23.156   3.879
   33    HE3  TRP   5           HE3      TRP   5   8.321 -20.095  -0.380
   34    HZ2  TRP   5           HZ2      TRP   5   9.296 -24.353   1.996
   35    HZ3  TRP   5           HZ3      TRP   5   9.858 -21.763  -1.386
   36    HH2  TRP   5           HH2      TRP   5  10.347 -23.888  -0.205
   37    H    HIS   6           H        HIS   6   6.422 -18.898  -1.232
   38    HA   HIS   6           HA       HIS   6   6.443 -16.099  -1.427
   39   1HB   HIS   6          1HB       HIS   6   6.567 -18.206  -3.592
   40   2HB   HIS   6          2HB       HIS   6   6.869 -16.490  -3.865
   41    HD1  HIS   6           HD1      HIS   6   9.378 -17.020  -4.456
   42    HD2  HIS   6           HD2      HIS   6   8.280 -18.024  -0.562
   43    HE1  HIS   6           HE1      HIS   6  11.531 -17.433  -3.187
   44    H    ARG   7           H        ARG   7   5.168 -14.636  -2.561
   45    HA   ARG   7           HA       ARG   7   2.583 -15.627  -3.578
   46   1HB   ARG   7          1HB       ARG   7   1.469 -13.665  -2.483
   47   2HB   ARG   7          2HB       ARG   7   2.093 -14.854  -1.339
   48   1HG   ARG   7          1HG       ARG   7   3.739 -13.455  -0.566
   49   2HG   ARG   7          2HG       ARG   7   3.957 -12.677  -2.134
   50   1HD   ARG   7          1HD       ARG   7   1.359 -12.248  -0.737
   51   2HD   ARG   7          2HD       ARG   7   2.772 -11.422  -0.090
   52    HE   ARG   7           HE       ARG   7   1.369 -10.733  -2.471
   53   1HH1  ARG   7          1HH1      ARG   7   4.598 -10.938  -1.134
   54   2HH1  ARG   7          2HH1      ARG   7   5.227  -9.701  -2.167
   55   1HH2  ARG   7          1HH2      ARG   7   2.230  -9.126  -3.799
   56   2HH2  ARG   7          2HH2      ARG   7   3.899  -8.683  -3.664
   57    HA   PRO   8           HA       PRO   8   4.545 -12.395  -6.314
   58   1HB   PRO   8          1HB       PRO   8   5.123 -13.983  -8.459
   59   2HB   PRO   8          2HB       PRO   8   6.237 -13.711  -7.111
   60   1HG   PRO   8          1HG       PRO   8   4.655 -16.118  -7.778
   61   2HG   PRO   8          2HG       PRO   8   6.151 -15.974  -6.844
   62   1HD   PRO   8          1HD       PRO   8   3.512 -16.294  -5.809
   63   2HD   PRO   8          2HD       PRO   8   4.993 -15.960  -4.880
   64    H    ASP   9           H        ASP   9   2.187 -11.829  -6.241
   65    HA   ASP   9           HA       ASP   9   1.023 -12.106  -8.888
   66   1HB   ASP   9          1HB       ASP   9  -0.117 -13.455  -6.485
   67   2HB   ASP   9          2HB       ASP   9  -1.237 -12.694  -7.615
   68    H    LYS  10           H        LYS  10  -1.327 -11.013  -8.702
   69    HA   LYS  10           HA       LYS  10  -0.821  -8.291  -8.014
   70   1HB   LYS  10          1HB       LYS  10  -3.261  -9.790  -8.943
   71   2HB   LYS  10          2HB       LYS  10  -3.356  -8.092  -8.474
   72   1HG   LYS  10          1HG       LYS  10  -1.285  -9.062 -10.443
   73   2HG   LYS  10          2HG       LYS  10  -2.907  -8.608 -10.966
   74   1HD   LYS  10          1HD       LYS  10  -2.581  -6.378 -10.509
   75   2HD   LYS  10          2HD       LYS  10  -1.482  -6.705  -9.168
   76   1HE   LYS  10          1HE       LYS  10  -0.688  -7.322 -12.011
   77   2HE   LYS  10          2HE       LYS  10  -0.472  -5.706 -11.335
   78   1HZ   LYS  10          1HZ       LYS  10   0.492  -8.061  -9.855
   79   2HZ   LYS  10          2HZ       LYS  10   1.418  -7.431 -11.129
   80   3HZ   LYS  10          3HZ       LYS  10   1.040  -6.453  -9.792
   81    H    CYS  11           H        CYS  11  -2.346 -10.976  -6.376
   82    HA   CYS  11           HA       CYS  11  -3.916  -9.667  -4.478
   83   1HB   CYS  11          1HB       CYS  11  -2.250 -12.150  -3.999
   84   2HB   CYS  11          2HB       CYS  11  -3.687 -11.657  -3.107
   85    H    CYS  12           H        CYS  12  -3.144 -10.106  -1.976
   86    HA   CYS  12           HA       CYS  12  -0.619  -8.592  -1.673
   87   1HB   CYS  12          1HB       CYS  12  -3.311  -8.150  -0.478
   88   2HB   CYS  12          2HB       CYS  12  -1.911  -7.863   0.553
   89    H    LEU  13           H        LEU  13  -2.912 -10.720   0.009
   90    HA   LEU  13           HA       LEU  13  -2.571 -12.499   1.432
   91   1HB   LEU  13          1HB       LEU  13  -0.507 -12.772  -0.249
   92   2HB   LEU  13          2HB       LEU  13   0.387 -12.384   1.204
   93    HG   LEU  13           HG       LEU  13  -1.147 -14.308   2.225
   94   1HD1  LEU  13          1HD1      LEU  13  -1.231 -14.656  -0.752
   95   2HD1  LEU  13          2HD1      LEU  13  -1.133 -16.089   0.271
   96   3HD1  LEU  13          3HD1      LEU  13  -2.487 -14.972   0.444
   97   1HD2  LEU  13          1HD2      LEU  13   1.327 -14.641   0.505
   98   2HD2  LEU  13          2HD2      LEU  13   1.265 -14.399   2.250
   99   3HD2  LEU  13          3HD2      LEU  13   0.696 -15.913   1.549
  100    H    GLY  14           H        GLY  14   0.343 -10.497   1.835
  101   1HA   GLY  14          1HA       GLY  14   1.334 -10.044   3.972
  102   2HA   GLY  14          2HA       GLY  14  -0.236 -10.331   4.721
  103    H    TYR  15           H        TYR  15   1.299  -8.041   5.253
  104    HA   TYR  15           HA       TYR  15   0.258  -5.847   3.656
  105   1HB   TYR  15          1HB       TYR  15  -0.644  -6.280   6.511
  106   2HB   TYR  15          2HB       TYR  15  -0.824  -4.759   5.640
  107    HD1  TYR  15           HD1      TYR  15  -1.909  -5.003   3.216
  108    HD2  TYR  15           HD2      TYR  15  -2.405  -7.809   6.427
  109    HE1  TYR  15           HE1      TYR  15  -3.979  -5.843   2.155
  110    HE2  TYR  15           HE2      TYR  15  -4.479  -8.656   5.363
  111    HH   TYR  15           HH       TYR  15  -5.280  -8.167   2.253
  112    H    GLN  16           H        GLN  16   0.816  -3.698   4.901
  113    HA   GLN  16           HA       GLN  16   3.603  -3.524   5.098
  114   1HB   GLN  16          1HB       GLN  16   2.165  -1.567   4.653
  115   2HB   GLN  16          2HB       GLN  16   1.528  -1.664   6.291
  116   1HG   GLN  16          1HG       GLN  16   3.303   0.049   6.113
  117   2HG   GLN  16          2HG       GLN  16   3.770  -1.251   7.205
  118   2HE2  GLN  16          2HE2      GLN  16   5.288  -2.926   6.298
  119   1HE2  GLN  16          1HE2      GLN  16   6.345  -2.486   5.046
  120    H    LYS  17           H        LYS  17   1.147  -3.872   7.609
  121    HA   LYS  17           HA       LYS  17   1.276  -4.524   9.806
  122   1HB   LYS  17          1HB       LYS  17   2.794  -6.302   8.662
  123   2HB   LYS  17          2HB       LYS  17   4.120  -5.394   9.388
  124   1HG   LYS  17          1HG       LYS  17   2.538  -5.560  11.542
  125   2HG   LYS  17          2HG       LYS  17   1.985  -7.010  10.704
  126   1HD   LYS  17          1HD       LYS  17   4.933  -6.506  10.961
  127   2HD   LYS  17          2HD       LYS  17   4.046  -7.150  12.343
  128   1HE   LYS  17          1HE       LYS  17   3.066  -8.787  10.470
  129   2HE   LYS  17          2HE       LYS  17   4.605  -8.409   9.695
  130   1HZ   LYS  17          1HZ       LYS  17   5.607  -8.932  11.967
  131   2HZ   LYS  17          2HZ       LYS  17   4.124  -9.685  12.313
  132   3HZ   LYS  17          3HZ       LYS  17   5.073 -10.238  11.021
  133    H    ARG  18           H        ARG  18   2.376  -1.855   8.819
  134    HA   ARG  18           HA       ARG  18   3.136  -0.850  11.348
  135   1HB   ARG  18          1HB       ARG  18   5.454  -0.151  10.828
  136   2HB   ARG  18          2HB       ARG  18   5.292  -1.905  10.902
  137   1HG   ARG  18          1HG       ARG  18   5.260  -2.080   8.499
  138   2HG   ARG  18          2HG       ARG  18   5.147  -0.328   8.321
  139   1HD   ARG  18          1HD       ARG  18   7.389  -0.438   9.784
  140   2HD   ARG  18          2HD       ARG  18   7.502  -2.018   9.018
  141    HE   ARG  18           HE       ARG  18   6.966  -0.329   6.936
  142   1HH1  ARG  18          1HH1      ARG  18   9.377  -0.378   9.473
  143   2HH1  ARG  18          2HH1      ARG  18  10.571   0.419   8.509
  144   1HH2  ARG  18          1HH2      ARG  18   8.552   0.708   5.714
  145   2HH2  ARG  18          2HH2      ARG  18  10.111   1.030   6.399
  146    HA   PRO  19           HA       PRO  19   1.825   2.692   9.037
  147   1HB   PRO  19          1HB       PRO  19   2.226   4.615  10.933
  148   2HB   PRO  19          2HB       PRO  19   0.899   3.446  10.979
  149   1HG   PRO  19          1HG       PRO  19   3.328   3.578  12.642
  150   2HG   PRO  19          2HG       PRO  19   1.778   2.794  12.972
  151   1HD   PRO  19          1HD       PRO  19   4.203   1.540  12.103
  152   2HD   PRO  19          2HD       PRO  19   2.609   0.779  12.322
  153    H    LEU  20           H        LEU  20   2.779   3.829   7.478
  154    HA   LEU  20           HA       LEU  20   5.553   4.775   7.891
  155   1HB   LEU  20          1HB       LEU  20   4.457   4.805   5.153
  156   2HB   LEU  20          2HB       LEU  20   6.038   4.327   5.725
  157    HG   LEU  20           HG       LEU  20   3.519   2.653   5.687
  158   1HD1  LEU  20          1HD1      LEU  20   5.271   3.122   3.675
  159   2HD1  LEU  20          2HD1      LEU  20   6.091   1.782   4.479
  160   3HD1  LEU  20          3HD1      LEU  20   4.442   1.580   3.886
  161   1HD2  LEU  20          1HD2      LEU  20   6.112   2.350   7.145
  162   2HD2  LEU  20          2HD2      LEU  20   4.492   1.841   7.621
  163   3HD2  LEU  20          3HD2      LEU  20   5.396   0.906   6.431
  164    HA   PRO  21           HA       PRO  21   4.062   8.916   7.428
  165   1HB   PRO  21          1HB       PRO  21   6.269  10.173   6.412
  166   2HB   PRO  21          2HB       PRO  21   6.141   9.612   8.088
  167   1HG   PRO  21          1HG       PRO  21   7.712   8.484   5.852
  168   2HG   PRO  21          2HG       PRO  21   7.981   8.357   7.596
  169   1HD   PRO  21          1HD       PRO  21   6.840   6.372   5.897
  170   2HD   PRO  21          2HD       PRO  21   6.927   6.334   7.674
  171    H    GLN  22           H        GLN  22   2.913  10.109   5.977
  172    HA   GLN  22           HA       GLN  22   2.744   9.254   3.244
  173   1HB   GLN  22          1HB       GLN  22   0.873  10.246   4.701
  174   2HB   GLN  22          2HB       GLN  22   1.588  11.814   4.333
  175   1HG   GLN  22          1HG       GLN  22   1.176  10.022   2.005
  176   2HG   GLN  22          2HG       GLN  22  -0.294  10.623   2.772
  177   2HE2  GLN  22          2HE2      GLN  22   1.697  11.369   0.283
  178   1HE2  GLN  22          1HE2      GLN  22   1.584  13.063   0.301
  179    H    VAL  23           H        VAL  23   4.922  11.300   4.817
  180    HA   VAL  23           HA       VAL  23   5.267  13.448   3.109
  181    HB   VAL  23           HB       VAL  23   6.410  13.192   5.283
  182   1HG1  VAL  23          1HG1      VAL  23   6.987  10.700   4.660
  183   2HG1  VAL  23          2HG1      VAL  23   8.444  11.416   3.975
  184   3HG1  VAL  23          3HG1      VAL  23   8.080  11.623   5.688
  185   1HG2  VAL  23          1HG2      VAL  23   7.290  14.772   3.581
  186   2HG2  VAL  23          2HG2      VAL  23   8.568  14.118   4.606
  187   3HG2  VAL  23          3HG2      VAL  23   8.344  13.496   2.971
  188    H    LEU  24           H        LEU  24   6.529  10.172   2.824
  189    HA   LEU  24           HA       LEU  24   7.821  10.860   0.285
  190   1HB   LEU  24          1HB       LEU  24   9.221   9.136   0.646
  191   2HB   LEU  24          2HB       LEU  24   8.676   9.272   2.297
  192    HG   LEU  24           HG       LEU  24   7.569   7.318   0.258
  193   1HD1  LEU  24          1HD1      LEU  24   9.998   7.050   1.111
  194   2HD1  LEU  24          2HD1      LEU  24   9.255   6.646   2.659
  195   3HD1  LEU  24          3HD1      LEU  24   8.917   5.661   1.236
  196   1HD2  LEU  24          1HD2      LEU  24   6.619   8.217   2.838
  197   2HD2  LEU  24          2HD2      LEU  24   5.882   7.059   1.735
  198   3HD2  LEU  24          3HD2      LEU  24   7.054   6.513   2.931
  199    H    LEU  25           H        LEU  25   5.139   9.076   1.611
  200    HA   LEU  25           HA       LEU  25   4.477   7.434  -0.529
  201   1HB   LEU  25          1HB       LEU  25   3.394   7.839   1.878
  202   2HB   LEU  25          2HB       LEU  25   2.247   8.739   0.913
  203    HG   LEU  25           HG       LEU  25   1.692   6.759  -0.370
  204   1HD1  LEU  25          1HD1      LEU  25   4.126   5.705   0.995
  205   2HD1  LEU  25          2HD1      LEU  25   2.810   4.567   0.705
  206   3HD1  LEU  25          3HD1      LEU  25   3.549   5.424  -0.648
  207   1HD2  LEU  25          1HD2      LEU  25   1.615   6.731   2.604
  208   2HD2  LEU  25          2HD2      LEU  25   0.289   6.672   1.444
  209   3HD2  LEU  25          3HD2      LEU  25   1.215   5.215   1.797
  210    H    SER  26           H        SER  26   3.046   7.587  -2.236
  211    HA   SER  26           HA       SER  26   2.579  10.348  -3.200
  212   1HB   SER  26          1HB       SER  26   4.146   8.567  -4.440
  213   2HB   SER  26          2HB       SER  26   2.597   8.077  -5.119
  214    HG   SER  26           HG       SER  26   3.079   9.688  -6.426
  215    H    SER  27           H        SER  27   1.319   7.082  -3.951
  216    HA   SER  27           HA       SER  27  -1.402   8.005  -3.358
  217   1HB   SER  27          1HB       SER  27  -2.285   7.489  -5.511
  218   2HB   SER  27          2HB       SER  27  -0.871   8.498  -5.799
  219    HG   SER  27           HG       SER  27  -1.340   5.874  -6.441
  220    H    TRP  28           H        TRP  28  -2.800   5.894  -4.430
  221    HA   TRP  28           HA       TRP  28  -1.574   3.388  -3.592
  222   1HB   TRP  28          1HB       TRP  28  -3.475   2.896  -2.010
  223   2HB   TRP  28          2HB       TRP  28  -2.354   4.129  -1.439
  224    HD1  TRP  28           HD1      TRP  28  -3.170   6.661  -1.463
  225    HE1  TRP  28           HE1      TRP  28  -5.524   7.710  -1.506
  226    HE3  TRP  28           HE3      TRP  28  -5.927   2.593  -2.885
  227    HZ2  TRP  28           HZ2      TRP  28  -8.217   6.924  -2.079
  228    HZ3  TRP  28           HZ3      TRP  28  -8.378   2.778  -3.171
  229    HH2  TRP  28           HH2      TRP  28  -9.526   4.936  -2.767
  230    H    TYR  29           H        TYR  29  -2.478   1.656  -4.600
  231    HA   TYR  29           HA       TYR  29  -4.982   2.146  -6.090
  232   1HB   TYR  29          1HB       TYR  29  -4.155   0.881  -7.979
  233   2HB   TYR  29          2HB       TYR  29  -3.026   2.181  -7.623
  234    HD1  TYR  29           HD1      TYR  29  -0.989   1.573  -6.080
  235    HD2  TYR  29           HD2      TYR  29  -3.401  -1.323  -8.143
  236    HE1  TYR  29           HE1      TYR  29   0.842  -0.084  -5.900
  237    HE2  TYR  29           HE2      TYR  29  -1.568  -2.981  -7.956
  238    HH   TYR  29           HH       TYR  29   1.081  -2.768  -7.698
  239    HA   PRO  30           HA       PRO  30  -6.211  -1.575  -4.016
  240   1HB   PRO  30          1HB       PRO  30  -8.554  -2.031  -5.342
  241   2HB   PRO  30          2HB       PRO  30  -8.346  -0.770  -4.118
  242   1HG   PRO  30          1HG       PRO  30  -8.576  -0.514  -7.056
  243   2HG   PRO  30          2HG       PRO  30  -8.958   0.659  -5.787
  244   1HD   PRO  30          1HD       PRO  30  -6.627   0.618  -7.417
  245   2HD   PRO  30          2HD       PRO  30  -6.915   1.651  -5.998
  246    H    THR  31           H        THR  31  -6.114  -3.779  -4.235
  247    HA   THR  31           HA       THR  31  -5.231  -4.797  -6.845
  248    HB   THR  31           HB       THR  31  -3.780  -5.356  -4.991
  249    HG1  THR  31           HG1      THR  31  -3.707  -7.104  -6.161
  250   1HG2  THR  31          1HG2      THR  31  -6.372  -6.000  -3.687
  251   2HG2  THR  31          2HG2      THR  31  -4.999  -7.026  -3.273
  252   3HG2  THR  31          3HG2      THR  31  -4.913  -5.286  -3.001
  253    H    SER  32           H        SER  32  -5.918  -7.256  -7.080
  254    HA   SER  32           HA       SER  32  -8.642  -7.292  -7.753
  255   1HB   SER  32          1HB       SER  32  -6.493  -9.340  -7.546
  256   2HB   SER  32          2HB       SER  32  -8.157  -9.917  -7.603
  257    HG   SER  32           HG       SER  32  -6.673  -8.473  -9.497
  258    H    GLN  33           H        GLN  33 -10.452  -8.131  -6.795
  259    HA   GLN  33           HA       GLN  33 -10.378  -8.327  -3.889
  260   1HB   GLN  33          1HB       GLN  33 -12.166  -7.065  -5.179
  261   2HB   GLN  33          2HB       GLN  33 -12.791  -8.637  -5.679
  262   1HG   GLN  33          1HG       GLN  33 -13.411  -9.233  -3.506
  263   2HG   GLN  33          2HG       GLN  33 -12.278  -8.100  -2.767
  264   2HE2  GLN  33          2HE2      GLN  33 -12.812  -5.665  -3.488
  265   1HE2  GLN  33          1HE2      GLN  33 -14.456  -5.249  -3.405
  266    H    LEU  34           H        LEU  34 -10.715 -10.419  -6.668
  267    HA   LEU  34           HA       LEU  34 -11.943 -12.657  -5.555
  268   1HB   LEU  34          1HB       LEU  34  -9.831 -12.357  -7.670
  269   2HB   LEU  34          2HB       LEU  34 -10.464 -13.924  -7.223
  270    HG   LEU  34           HG       LEU  34 -12.556 -13.488  -8.179
  271   1HD1  LEU  34          1HD1      LEU  34 -12.869 -11.268  -7.024
  272   2HD1  LEU  34          2HD1      LEU  34 -11.895 -10.528  -8.294
  273   3HD1  LEU  34          3HD1      LEU  34 -13.437 -11.286  -8.693
  274   1HD2  LEU  34          1HD2      LEU  34 -10.709 -13.600  -9.852
  275   2HD2  LEU  34          2HD2      LEU  34 -12.079 -12.643 -10.417
  276   3HD2  LEU  34          3HD2      LEU  34 -10.623 -11.839  -9.831
  277    H    CYS  35           H        CYS  35  -8.728 -11.407  -5.056
  278    HA   CYS  35           HA       CYS  35  -7.400 -13.718  -4.171
  279   1HB   CYS  35          1HB       CYS  35  -7.042 -10.871  -3.201
  280   2HB   CYS  35          2HB       CYS  35  -5.886 -12.188  -2.991
  281    H    SER  36           H        SER  36  -7.137 -14.659  -2.164
  282    HA   SER  36           HA       SER  36  -9.365 -14.728  -0.445
  283   1HB   SER  36          1HB       SER  36  -7.642 -16.538  -0.655
  284   2HB   SER  36          2HB       SER  36  -6.530 -15.521   0.257
  285    HG   SER  36           HG       SER  36  -7.474 -16.581   1.851
  286    H    LYS  37           H        LYS  37  -6.320 -12.964  -0.275
  287    HA   LYS  37           HA       LYS  37  -7.425 -11.414   1.992
  288   1HB   LYS  37          1HB       LYS  37  -5.476 -12.909   2.605
  289   2HB   LYS  37          2HB       LYS  37  -4.485 -11.944   1.513
  290   1HG   LYS  37          1HG       LYS  37  -4.121 -10.588   3.288
  291   2HG   LYS  37          2HG       LYS  37  -5.767 -10.012   3.032
  292   1HD   LYS  37          1HD       LYS  37  -5.989 -10.672   5.222
  293   2HD   LYS  37          2HD       LYS  37  -6.316 -12.229   4.458
  294   1HE   LYS  37          1HE       LYS  37  -3.723 -12.542   4.567
  295   2HE   LYS  37          2HE       LYS  37  -3.792 -11.272   5.789
  296   1HZ   LYS  37          1HZ       LYS  37  -5.507 -12.627   6.936
  297   2HZ   LYS  37          2HZ       LYS  37  -5.205 -13.880   5.830
  298   3HZ   LYS  37          3HZ       LYS  37  -3.977 -13.358   6.883
  299    HA   PRO  38           HA       PRO  38  -6.411  -8.551  -1.496
  300   1HB   PRO  38          1HB       PRO  38  -8.862  -7.361  -1.673
  301   2HB   PRO  38          2HB       PRO  38  -8.424  -8.840  -2.540
  302   1HG   PRO  38          1HG       PRO  38 -10.194  -8.495  -0.199
  303   2HG   PRO  38          2HG       PRO  38 -10.175  -9.777  -1.418
  304   1HD   PRO  38          1HD       PRO  38  -9.108  -9.915   1.223
  305   2HD   PRO  38          2HD       PRO  38  -8.918 -11.123  -0.071
  306    H    GLY  39           H        GLY  39  -6.726  -6.098  -1.585
  307   1HA   GLY  39          1HA       GLY  39  -5.806  -4.922   0.823
  308   2HA   GLY  39          2HA       GLY  39  -7.511  -4.535   0.595
  309    H    VAL  40           H        VAL  40  -4.649  -3.190   0.258
  310    HA   VAL  40           HA       VAL  40  -4.895  -2.183  -2.468
  311    HB   VAL  40           HB       VAL  40  -5.060  -0.269  -0.123
  312   1HG1  VAL  40          1HG1      VAL  40  -4.048   0.224  -2.579
  313   2HG1  VAL  40          2HG1      VAL  40  -5.755   0.512  -2.900
  314   3HG1  VAL  40          3HG1      VAL  40  -4.926   1.426  -1.641
  315   1HG2  VAL  40          1HG2      VAL  40  -7.181  -1.220  -2.068
  316   2HG2  VAL  40          2HG2      VAL  40  -7.165  -1.475  -0.324
  317   3HG2  VAL  40          3HG2      VAL  40  -7.374   0.151  -0.975
  318    H    ILE  41           H        ILE  41  -3.008  -1.453  -3.278
  319    HA   ILE  41           HA       ILE  41  -0.649  -1.687  -1.540
  320    HB   ILE  41           HB       ILE  41  -1.005  -1.749  -4.545
  321   1HG1  ILE  41          1HG1      ILE  41   0.173  -3.993  -4.120
  322   2HG1  ILE  41          2HG1      ILE  41  -0.173  -3.713  -2.413
  323   1HG2  ILE  41          1HG2      ILE  41   1.074  -0.496  -3.987
  324   2HG2  ILE  41          2HG2      ILE  41   1.599  -1.848  -2.982
  325   3HG2  ILE  41          3HG2      ILE  41   1.428  -2.058  -4.724
  326   1HD1  ILE  41          1HD1      ILE  41  -2.421  -3.385  -4.352
  327   2HD1  ILE  41          2HD1      ILE  41  -1.891  -5.026  -3.981
  328   3HD1  ILE  41          3HD1      ILE  41  -2.450  -3.967  -2.686
  329    H    PHE  42           H        PHE  42   0.638   0.017  -1.096
  330    HA   PHE  42           HA       PHE  42  -0.274   2.661  -2.009
  331   1HB   PHE  42          1HB       PHE  42   1.334   1.680   0.327
  332   2HB   PHE  42          2HB       PHE  42   1.526   3.346  -0.216
  333    HD1  PHE  42           HD1      PHE  42  -0.854   0.863   1.140
  334    HD2  PHE  42           HD2      PHE  42  -0.246   4.969   0.034
  335    HE1  PHE  42           HE1      PHE  42  -2.950   1.489   2.309
  336    HE2  PHE  42           HE2      PHE  42  -2.341   5.595   1.202
  337    HZ   PHE  42           HZ       PHE  42  -3.693   3.856   2.342
  338    H    LEU  43           H        LEU  43   0.765   3.607  -3.634
  339    HA   LEU  43           HA       LEU  43   3.458   2.676  -4.356
  340   1HB   LEU  43          1HB       LEU  43   1.555   4.501  -5.825
  341   2HB   LEU  43          2HB       LEU  43   3.106   3.957  -6.426
  342    HG   LEU  43           HG       LEU  43   1.071   1.898  -5.672
  343   1HD1  LEU  43          1HD1      LEU  43   0.969   3.760  -8.041
  344   2HD1  LEU  43          2HD1      LEU  43   0.347   2.114  -8.165
  345   3HD1  LEU  43          3HD1      LEU  43  -0.348   3.232  -6.993
  346   1HD2  LEU  43          1HD2      LEU  43   3.568   1.668  -6.578
  347   2HD2  LEU  43          2HD2      LEU  43   2.305   0.554  -7.102
  348   3HD2  LEU  43          3HD2      LEU  43   2.773   1.904  -8.135
  349    H    THR  44           H        THR  44   4.909   3.707  -3.050
  350    HA   THR  44           HA       THR  44   4.628   6.383  -2.156
  351    HB   THR  44           HB       THR  44   6.958   6.203  -1.460
  352    HG1  THR  44           HG1      THR  44   6.904   3.889  -3.094
  353   1HG2  THR  44          1HG2      THR  44   5.016   4.011  -1.000
  354   2HG2  THR  44          2HG2      THR  44   6.679   3.680  -0.516
  355   3HG2  THR  44          3HG2      THR  44   5.824   5.065   0.161
  356    H    LYS  45           H        LYS  45   6.204   8.134  -2.701
  357    HA   LYS  45           HA       LYS  45   5.980   8.886  -5.394
  358   1HB   LYS  45          1HB       LYS  45   7.790   9.858  -3.184
  359   2HB   LYS  45          2HB       LYS  45   7.787  10.584  -4.791
  360   1HG   LYS  45          1HG       LYS  45   5.655  11.452  -4.549
  361   2HG   LYS  45          2HG       LYS  45   5.160  10.198  -3.413
  362   1HD   LYS  45          1HD       LYS  45   5.426  11.894  -1.894
  363   2HD   LYS  45          2HD       LYS  45   7.107  11.365  -1.954
  364   1HE   LYS  45          1HE       LYS  45   7.304  13.671  -2.317
  365   2HE   LYS  45          2HE       LYS  45   7.292  13.034  -3.961
  366   1HZ   LYS  45          1HZ       LYS  45   4.776  13.355  -3.806
  367   2HZ   LYS  45          2HZ       LYS  45   5.113  14.361  -2.480
  368   3HZ   LYS  45          3HZ       LYS  45   5.740  14.735  -4.014
  369    H    ARG  46           H        ARG  46   8.919   7.885  -3.635
  370    HA   ARG  46           HA       ARG  46   9.990   6.853  -6.193
  371   1HB   ARG  46          1HB       ARG  46  11.032   9.038  -5.489
  372   2HB   ARG  46          2HB       ARG  46  11.641   8.201  -4.060
  373   1HG   ARG  46          1HG       ARG  46  13.102   6.873  -5.289
  374   2HG   ARG  46          2HG       ARG  46  12.141   7.003  -6.763
  375   1HD   ARG  46          1HD       ARG  46  13.866   8.436  -7.307
  376   2HD   ARG  46          2HD       ARG  46  12.770   9.574  -6.530
  377    HE   ARG  46           HE       ARG  46  14.402   8.545  -4.518
  378   1HH1  ARG  46          1HH1      ARG  46  14.784  10.390  -7.469
  379   2HH1  ARG  46          2HH1      ARG  46  16.191  11.222  -6.900
  380   1HH2  ARG  46          1HH2      ARG  46  16.237   9.652  -3.816
  381   2HH2  ARG  46          2HH2      ARG  46  17.007  10.809  -4.851
  382    H    GLY  47           H        GLY  47   8.991   5.973  -3.165
  383   1HA   GLY  47          1HA       GLY  47   9.567   4.304  -1.672
  384   2HA   GLY  47          2HA       GLY  47  11.153   4.222  -2.430
  385    H    ARG  48           H        ARG  48   8.208   2.676  -2.017
  386    HA   ARG  48           HA       ARG  48   8.280   1.155  -4.503
  387   1HB   ARG  48          1HB       ARG  48   9.403   0.153  -1.958
  388   2HB   ARG  48          2HB       ARG  48   8.299  -0.953  -2.772
  389   1HG   ARG  48          1HG       ARG  48   9.605  -0.849  -4.813
  390   2HG   ARG  48          2HG       ARG  48  10.640   0.409  -4.134
  391   1HD   ARG  48          1HD       ARG  48  11.691  -1.070  -2.660
  392   2HD   ARG  48          2HD       ARG  48  10.364  -2.224  -2.714
  393    HE   ARG  48           HE       ARG  48  12.630  -2.193  -4.436
  394   1HH1  ARG  48          1HH1      ARG  48   9.176  -2.765  -4.439
  395   2HH1  ARG  48          2HH1      ARG  48   9.243  -3.852  -5.783
  396   1HH2  ARG  48          1HH2      ARG  48  12.672  -3.615  -6.187
  397   2HH2  ARG  48          2HH2      ARG  48  11.204  -4.330  -6.765
  398    H    GLN  49           H        GLN  49   6.731  -0.932  -3.962
  399    HA   GLN  49           HA       GLN  49   4.171   0.293  -3.297
  400   1HB   GLN  49          1HB       GLN  49   5.050  -2.235  -4.632
  401   2HB   GLN  49          2HB       GLN  49   3.445  -2.178  -3.905
  402   1HG   GLN  49          1HG       GLN  49   2.715  -0.471  -5.331
  403   2HG   GLN  49          2HG       GLN  49   4.357   0.057  -5.698
  404   2HE2  GLN  49          2HE2      GLN  49   3.033  -3.281  -5.796
  405   1HE2  GLN  49          1HE2      GLN  49   3.347  -3.517  -7.448
  406    H    VAL  50           H        VAL  50   2.716  -0.609  -1.740
  407    HA   VAL  50           HA       VAL  50   3.832  -2.530   0.176
  408    HB   VAL  50           HB       VAL  50   2.775   0.162   1.066
  409   1HG1  VAL  50          1HG1      VAL  50   2.546  -1.989   2.523
  410   2HG1  VAL  50          2HG1      VAL  50   4.292  -1.846   2.722
  411   3HG1  VAL  50          3HG1      VAL  50   3.233  -0.544   3.261
  412   1HG2  VAL  50          1HG2      VAL  50   5.596  -0.926   0.884
  413   2HG2  VAL  50          2HG2      VAL  50   4.947   0.484   0.046
  414   3HG2  VAL  50          3HG2      VAL  50   5.156   0.518   1.797
  415    H    CYS  51           H        CYS  51   2.331  -4.006   0.527
  416    HA   CYS  51           HA       CYS  51  -0.439  -3.591  -0.143
  417   1HB   CYS  51          1HB       CYS  51   1.196  -5.843   0.948
  418   2HB   CYS  51          2HB       CYS  51  -0.548  -5.887   1.197
  419    H    ALA  52           H        ALA  52  -2.027  -2.861   1.169
  420    HA   ALA  52           HA       ALA  52  -1.838  -3.208   4.050
  421   1HB   ALA  52          1HB       ALA  52  -0.515  -1.127   3.570
  422   2HB   ALA  52          2HB       ALA  52  -1.994  -0.406   2.933
  423   3HB   ALA  52          3HB       ALA  52  -1.903  -0.880   4.630
  424    H    ASP  53           H        ASP  53  -3.791  -3.472   4.900
  425    HA   ASP  53           HA       ASP  53  -6.127  -3.325   3.235
  426   1HB   ASP  53          1HB       ASP  53  -5.504  -4.199   6.002
  427   2HB   ASP  53          2HB       ASP  53  -7.153  -3.644   5.725
  428    H    LYS  54           H        LYS  54  -8.142  -2.307   4.619
  429    HA   LYS  54           HA       LYS  54  -7.400   0.536   4.944
  430   1HB   LYS  54          1HB       LYS  54 -10.092  -0.672   4.251
  431   2HB   LYS  54          2HB       LYS  54  -9.737   1.050   4.384
  432   1HG   LYS  54          1HG       LYS  54  -9.398   0.843   2.126
  433   2HG   LYS  54          2HG       LYS  54  -7.792   0.338   2.655
  434   1HD   LYS  54          1HD       LYS  54  -8.558  -1.327   1.103
  435   2HD   LYS  54          2HD       LYS  54  -8.680  -2.041   2.712
  436   1HE   LYS  54          1HE       LYS  54 -11.124  -0.922   2.557
  437   2HE   LYS  54          2HE       LYS  54 -10.838  -1.204   0.840
  438   1HZ   LYS  54          1HZ       LYS  54 -10.222  -3.525   1.462
  439   2HZ   LYS  54          2HZ       LYS  54 -10.781  -3.202   3.030
  440   3HZ   LYS  54          3HZ       LYS  54 -11.856  -3.136   1.716
  441    H    SER  55           H        SER  55  -8.855  -2.220   6.494
  442    HA   SER  55           HA       SER  55 -10.389  -1.039   8.493
  443   1HB   SER  55          1HB       SER  55  -8.709  -3.341   9.296
  444   2HB   SER  55          2HB       SER  55 -10.442  -3.095   9.474
  445    HG   SER  55           HG       SER  55  -9.310  -4.584   7.714
  446    H    LYS  56           H        LYS  56  -6.931  -1.120   8.120
  447    HA   LYS  56           HA       LYS  56  -6.110  -0.707  10.775
  448   1HB   LYS  56          1HB       LYS  56  -4.838   0.456   8.286
  449   2HB   LYS  56          2HB       LYS  56  -4.056   0.182   9.844
  450   1HG   LYS  56          1HG       LYS  56  -4.869  -2.300   9.475
  451   2HG   LYS  56          2HG       LYS  56  -4.914  -1.817   7.779
  452   1HD   LYS  56          1HD       LYS  56  -2.588  -1.250   7.783
  453   2HD   LYS  56          2HD       LYS  56  -2.497  -1.364   9.541
  454   1HE   LYS  56          1HE       LYS  56  -3.329  -3.753   7.910
  455   2HE   LYS  56          2HE       LYS  56  -1.620  -3.367   8.116
  456   1HZ   LYS  56          1HZ       LYS  56  -2.163  -3.242  10.577
  457   2HZ   LYS  56          2HZ       LYS  56  -3.616  -4.034  10.192
  458   3HZ   LYS  56          3HZ       LYS  56  -2.132  -4.788   9.873
  459    H    ASP  57           H        ASP  57  -4.785   1.585  11.065
  460    HA   ASP  57           HA       ASP  57  -6.920   3.628  10.978
  461   1HB   ASP  57          1HB       ASP  57  -5.822   2.726  13.211
  462   2HB   ASP  57          2HB       ASP  57  -4.559   3.883  12.791
  463    H    TRP  58           H        TRP  58  -3.384   3.240  10.784
  464    HA   TRP  58           HA       TRP  58  -2.919   5.886   9.853
  465   1HB   TRP  58          1HB       TRP  58  -0.661   5.095   9.270
  466   2HB   TRP  58          2HB       TRP  58  -1.124   4.622  10.900
  467    HD1  TRP  58           HD1      TRP  58  -1.719   2.037  11.314
  468    HE1  TRP  58           HE1      TRP  58  -0.985  -0.085  10.050
  469    HE3  TRP  58           HE3      TRP  58  -0.110   4.126   6.948
  470    HZ2  TRP  58           HZ2      TRP  58   0.143  -0.805   7.504
  471    HZ3  TRP  58           HZ3      TRP  58   0.791   2.709   5.129
  472    HH2  TRP  58           HH2      TRP  58   0.918   0.254   5.401
  473    H    VAL  59           H        VAL  59  -3.784   2.912   8.256
  474    HA   VAL  59           HA       VAL  59  -3.046   3.789   5.616
  475    HB   VAL  59           HB       VAL  59  -4.982   1.605   6.425
  476   1HG1  VAL  59          1HG1      VAL  59  -3.812   2.556   3.857
  477   2HG1  VAL  59          2HG1      VAL  59  -3.884   0.810   4.091
  478   3HG1  VAL  59          3HG1      VAL  59  -5.361   1.771   4.163
  479   1HG2  VAL  59          1HG2      VAL  59  -2.734   1.298   7.411
  480   2HG2  VAL  59          2HG2      VAL  59  -3.038   0.109   6.144
  481   3HG2  VAL  59          3HG2      VAL  59  -2.010   1.504   5.816
  482    H    LYS  60           H        LYS  60  -5.904   3.924   7.639
  483    HA   LYS  60           HA       LYS  60  -7.775   4.677   5.653
  484   1HB   LYS  60          1HB       LYS  60  -8.214   3.947   8.089
  485   2HB   LYS  60          2HB       LYS  60  -7.896   5.630   8.508
  486   1HG   LYS  60          1HG       LYS  60  -9.814   6.390   7.501
  487   2HG   LYS  60          2HG       LYS  60  -9.771   5.150   6.247
  488   1HD   LYS  60          1HD       LYS  60 -10.283   3.492   8.188
  489   2HD   LYS  60          2HD       LYS  60 -10.788   4.933   9.073
  490   1HE   LYS  60          1HE       LYS  60 -12.332   5.503   7.203
  491   2HE   LYS  60          2HE       LYS  60 -11.874   4.002   6.398
  492   1HZ   LYS  60          1HZ       LYS  60 -12.879   3.991   9.173
  493   2HZ   LYS  60          2HZ       LYS  60 -13.957   4.010   7.860
  494   3HZ   LYS  60          3HZ       LYS  60 -12.864   2.725   8.039
  495    H    LYS  61           H        LYS  61  -5.671   6.568   7.793
  496    HA   LYS  61           HA       LYS  61  -6.598   9.125   7.035
  497   1HB   LYS  61          1HB       LYS  61  -4.961   8.387   8.959
  498   2HB   LYS  61          2HB       LYS  61  -3.720   8.680   7.740
  499   1HG   LYS  61          1HG       LYS  61  -4.138  10.948   7.655
  500   2HG   LYS  61          2HG       LYS  61  -5.836  10.758   8.092
  501   1HD   LYS  61          1HD       LYS  61  -5.174  10.192  10.407
  502   2HD   LYS  61          2HD       LYS  61  -3.479  10.411   9.969
  503   1HE   LYS  61          1HE       LYS  61  -5.524  12.597   9.564
  504   2HE   LYS  61          2HE       LYS  61  -4.646  12.412  11.083
  505   1HZ   LYS  61          1HZ       LYS  61  -3.184  12.480   8.528
  506   2HZ   LYS  61          2HZ       LYS  61  -3.688  13.929   9.253
  507   3HZ   LYS  61          3HZ       LYS  61  -2.640  12.882  10.086
  508    H    LEU  62           H        LEU  62  -3.992   7.083   5.761
  509    HA   LEU  62           HA       LEU  62  -2.971   8.913   3.872
  510   1HB   LEU  62          1HB       LEU  62  -3.080   5.905   3.761
  511   2HB   LEU  62          2HB       LEU  62  -2.132   6.908   2.687
  512    HG   LEU  62           HG       LEU  62  -1.692   7.168   5.633
  513   1HD1  LEU  62          1HD1      LEU  62  -1.158   4.770   3.955
  514   2HD1  LEU  62          2HD1      LEU  62   0.151   5.304   5.010
  515   3HD1  LEU  62          3HD1      LEU  62  -1.420   4.896   5.694
  516   1HD2  LEU  62          1HD2      LEU  62  -0.271   7.685   3.069
  517   2HD2  LEU  62          2HD2      LEU  62  -0.261   8.614   4.567
  518   3HD2  LEU  62          3HD2      LEU  62   0.729   7.163   4.424
  519    H    MET  63           H        MET  63  -5.490   6.450   3.651
  520    HA   MET  63           HA       MET  63  -6.095   6.579   0.939
  521   1HB   MET  63          1HB       MET  63  -7.818   6.057   3.352
  522   2HB   MET  63          2HB       MET  63  -8.485   6.031   1.720
  523   1HG   MET  63          1HG       MET  63  -6.310   4.489   1.319
  524   2HG   MET  63          2HG       MET  63  -6.586   4.144   3.024
  525   1HE   MET  63          1HE       MET  63  -7.093   3.662  -0.321
  526   2HE   MET  63          2HE       MET  63  -7.253   1.959   0.100
  527   3HE   MET  63          3HE       MET  63  -8.602   2.803  -0.656
  528    H    GLN  64           H        GLN  64  -7.099   8.700   3.565
  529    HA   GLN  64           HA       GLN  64  -8.812  10.286   1.827
  530   1HB   GLN  64          1HB       GLN  64  -9.120   9.828   4.381
  531   2HB   GLN  64          2HB       GLN  64  -7.956  11.140   4.574
  532   1HG   GLN  64          1HG       GLN  64  -9.377  12.640   3.265
  533   2HG   GLN  64          2HG       GLN  64 -10.522  11.331   2.970
  534   2HE2  GLN  64          2HE2      GLN  64 -12.049  10.850   4.614
  535   1HE2  GLN  64          1HE2      GLN  64 -12.115  11.675   6.096
  536    H    GLN  65           H        GLN  65  -5.592  10.414   3.203
  537    HA   GLN  65           HA       GLN  65  -5.072  13.154   2.595
  538   1HB   GLN  65          1HB       GLN  65  -3.426  10.793   3.393
  539   2HB   GLN  65          2HB       GLN  65  -2.607  12.199   2.713
  540   1HG   GLN  65          1HG       GLN  65  -4.652  12.835   4.752
  541   2HG   GLN  65          2HG       GLN  65  -3.266  11.931   5.357
  542   2HE2  GLN  65          2HE2      GLN  65  -3.937  14.770   3.228
  543   1HE2  GLN  65          1HE2      GLN  65  -2.601  15.668   3.767
  544    H    LEU  66           H        LEU  66  -4.510  10.099   0.915
  545    HA   LEU  66           HA       LEU  66  -3.418  11.557  -1.400
  546   1HB   LEU  66          1HB       LEU  66  -3.622   8.575  -1.100
  547   2HB   LEU  66          2HB       LEU  66  -2.599   9.485  -2.189
  548    HG   LEU  66           HG       LEU  66  -2.282   9.447   0.821
  549   1HD1  LEU  66          1HD1      LEU  66  -1.106   7.787  -1.392
  550   2HD1  LEU  66          2HD1      LEU  66  -0.145   8.135   0.044
  551   3HD1  LEU  66          3HD1      LEU  66  -1.677   7.276   0.196
  552   1HD2  LEU  66          1HD2      LEU  66  -0.861  10.758  -1.473
  553   2HD2  LEU  66          2HD2      LEU  66  -1.230  11.403   0.127
  554   3HD2  LEU  66          3HD2      LEU  66   0.083  10.243  -0.075
  555    HA   PRO  67           HA       PRO  67  -7.244  10.974  -3.525
  556   1HB   PRO  67          1HB       PRO  67  -6.390  11.200  -6.117
  557   2HB   PRO  67          2HB       PRO  67  -6.555  12.568  -5.008
  558   1HG   PRO  67          1HG       PRO  67  -4.102  11.224  -5.978
  559   2HG   PRO  67          2HG       PRO  67  -4.328  12.882  -5.405
  560   1HD   PRO  67          1HD       PRO  67  -3.198  10.735  -3.933
  561   2HD   PRO  67          2HD       PRO  67  -3.675  12.324  -3.290
  562    H    VAL  68           H        VAL  68  -5.070   9.498  -5.909
  563    HA   VAL  68           HA       VAL  68  -5.286   6.817  -5.362
  564    HB   VAL  68           HB       VAL  68  -7.832   7.904  -6.395
  565   1HG1  VAL  68          1HG1      VAL  68  -7.006   6.925  -8.522
  566   2HG1  VAL  68          2HG1      VAL  68  -6.740   5.389  -7.697
  567   3HG1  VAL  68          3HG1      VAL  68  -8.376   6.024  -7.874
  568   1HG2  VAL  68          1HG2      VAL  68  -6.823   5.796  -4.648
  569   2HG2  VAL  68          2HG2      VAL  68  -8.381   6.618  -4.629
  570   3HG2  VAL  68          3HG2      VAL  68  -8.139   5.220  -5.671
  571    H    THR  69           H        THR  69  -4.783   5.457  -7.289
  572    HA   THR  69           HA       THR  69  -2.742   6.638  -8.838
  573    HB   THR  69           HB       THR  69  -3.259   4.427 -10.270
  574    HG1  THR  69           HG1      THR  69  -4.817   3.365  -9.384
  575   1HG2  THR  69          1HG2      THR  69  -1.283   5.040  -8.762
  576   2HG2  THR  69          2HG2      THR  69  -2.150   4.211  -7.470
  577   3HG2  THR  69          3HG2      THR  69  -1.653   3.322  -8.909
  578    H    ALA  70           H        ALA  70  -2.635   7.089 -11.064
  579    HA   ALA  70           HA       ALA  70  -4.972   8.359 -12.131
  580   1HB   ALA  70          1HB       ALA  70  -3.594   9.112 -13.871
  581   2HB   ALA  70          2HB       ALA  70  -2.525   7.714 -13.759
  582   3HB   ALA  70          3HB       ALA  70  -2.475   8.965 -12.516
  583    H    ARG  71           H        ARG  71  -5.094   7.860 -14.748
  584    HA   ARG  71           HA       ARG  71  -5.865   5.005 -14.885
  585   1HB   ARG  71          1HB       ARG  71  -7.030   7.392 -16.340
  586   2HB   ARG  71          2HB       ARG  71  -7.509   5.715 -16.606
  587   1HG   ARG  71          1HG       ARG  71  -8.618   5.566 -14.598
  588   2HG   ARG  71          2HG       ARG  71  -7.527   6.693 -13.792
  589   1HD   ARG  71          1HD       ARG  71  -9.416   8.017 -13.972
  590   2HD   ARG  71          2HD       ARG  71  -8.598   8.430 -15.475
  591    HE   ARG  71           HE       ARG  71 -10.182   6.304 -16.157
  592   1HH1  ARG  71          1HH1      ARG  71 -10.763   9.386 -14.603
  593   2HH1  ARG  71          2HH1      ARG  71 -12.381   9.510 -15.202
  594   1HH2  ARG  71          1HH2      ARG  71 -12.296   6.506 -16.915
  595   2HH2  ARG  71          2HH2      ARG  71 -13.243   7.895 -16.500

  No H/Q in entry =         595
  Start of MODEL   17
    1    H1   LEU   1           H1       LEU   1  11.735 -15.020  -7.787
    2    H2   LEU   1           H2       LEU   1  11.074 -14.057  -6.553
    3    H3   LEU   1           H3       LEU   1  10.740 -15.718  -6.600
    4    HA   LEU   1           HA       LEU   1   8.839 -14.495  -7.397
    5   1HB   LEU   1          1HB       LEU   1  10.551 -12.643  -8.263
    6   2HB   LEU   1          2HB       LEU   1  10.423 -13.559  -9.763
    7    HG   LEU   1           HG       LEU   1   8.768 -11.745  -9.726
    8   1HD1  LEU   1          1HD1      LEU   1   8.287 -14.232 -10.543
    9   2HD1  LEU   1          2HD1      LEU   1   7.095 -14.178  -9.245
   10   3HD1  LEU   1          3HD1      LEU   1   7.020 -13.006 -10.560
   11   1HD2  LEU   1          1HD2      LEU   1   8.634 -11.903  -7.118
   12   2HD2  LEU   1          2HD2      LEU   1   7.187 -11.449  -8.017
   13   3HD2  LEU   1          3HD2      LEU   1   7.375 -13.098  -7.425
   14    H    GLY   2           H        GLY   2   8.192 -16.607  -7.711
   15   1HA   GLY   2          1HA       GLY   2   8.111 -18.712  -8.769
   16   2HA   GLY   2          2HA       GLY   2   9.225 -18.115  -9.996
   17    H    ALA   3           H        ALA   3   6.484 -19.460 -10.041
   18    HA   ALA   3           HA       ALA   3   4.816 -17.451 -11.342
   19   1HB   ALA   3          1HB       ALA   3   5.670 -19.900 -12.893
   20   2HB   ALA   3          2HB       ALA   3   4.711 -18.536 -13.471
   21   3HB   ALA   3          3HB       ALA   3   6.422 -18.319 -13.099
   22    H    SER   4           H        SER   4   3.183 -17.866  -9.911
   23    HA   SER   4           HA       SER   4   2.354 -20.462  -9.105
   24   1HB   SER   4          1HB       SER   4   0.652 -17.965  -9.157
   25   2HB   SER   4          2HB       SER   4   0.438 -19.383  -8.135
   26    HG   SER   4           HG       SER   4   1.672 -18.335  -6.797
   27    H    TRP   5           H        TRP   5   1.493 -18.358 -11.772
   28    HA   TRP   5           HA       TRP   5   0.351 -18.766 -13.725
   29   1HB   TRP   5          1HB       TRP   5   1.498 -21.117 -13.370
   30   2HB   TRP   5          2HB       TRP   5  -0.151 -21.625 -13.004
   31    HD1  TRP   5           HD1      TRP   5   1.837 -19.856 -15.796
   32    HE1  TRP   5           HE1      TRP   5   0.653 -20.308 -18.041
   33    HE3  TRP   5           HE3      TRP   5  -2.267 -22.396 -14.132
   34    HZ2  TRP   5           HZ2      TRP   5  -1.722 -21.580 -19.003
   35    HZ3  TRP   5           HZ3      TRP   5  -3.973 -23.216 -15.731
   36    HH2  TRP   5           HH2      TRP   5  -3.706 -22.811 -18.162
   37    H    HIS   6           H        HIS   6  -1.143 -21.003 -11.396
   38    HA   HIS   6           HA       HIS   6  -3.796 -20.450 -12.187
   39   1HB   HIS   6          1HB       HIS   6  -2.713 -21.551  -9.585
   40   2HB   HIS   6          2HB       HIS   6  -4.424 -21.509 -10.007
   41    HD1  HIS   6           HD1      HIS   6  -1.750 -23.795 -10.048
   42    HD2  HIS   6           HD2      HIS   6  -4.647 -22.776 -12.868
   43    HE1  HIS   6           HE1      HIS   6  -1.865 -25.723 -11.684
   44    H    ARG   7           H        ARG   7  -2.398 -19.655  -9.021
   45    HA   ARG   7           HA       ARG   7  -3.732 -17.021  -9.158
   46   1HB   ARG   7          1HB       ARG   7  -3.745 -18.970  -6.843
   47   2HB   ARG   7          2HB       ARG   7  -4.223 -17.277  -6.704
   48   1HG   ARG   7          1HG       ARG   7  -5.720 -17.964  -8.834
   49   2HG   ARG   7          2HG       ARG   7  -5.624 -19.537  -8.041
   50   1HD   ARG   7          1HD       ARG   7  -6.766 -18.817  -6.163
   51   2HD   ARG   7          2HD       ARG   7  -6.245 -17.147  -6.356
   52    HE   ARG   7           HE       ARG   7  -8.018 -18.041  -8.455
   53   1HH1  ARG   7          1HH1      ARG   7  -7.833 -16.704  -5.226
   54   2HH1  ARG   7          2HH1      ARG   7  -9.405 -15.987  -5.310
   55   1HH2  ARG   7          1HH2      ARG   7 -10.061 -17.089  -8.525
   56   2HH2  ARG   7          2HH2      ARG   7 -10.657 -16.202  -7.162
   57    HA   PRO   8           HA       PRO   8   0.635 -16.426  -7.878
   58   1HB   PRO   8          1HB       PRO   8   1.127 -14.295  -9.514
   59   2HB   PRO   8          2HB       PRO   8   1.292 -15.983 -10.023
   60   1HG   PRO   8          1HG       PRO   8  -0.794 -14.009 -10.725
   61   2HG   PRO   8          2HG       PRO   8  -0.255 -15.443 -11.610
   62   1HD   PRO   8          1HD       PRO   8  -2.604 -15.208 -10.014
   63   2HD   PRO   8          2HD       PRO   8  -1.948 -16.697 -10.735
   64    H    ASP   9           H        ASP   9   1.763 -14.192  -7.310
   65    HA   ASP   9           HA       ASP   9   0.282 -13.012  -5.207
   66   1HB   ASP   9          1HB       ASP   9   2.156 -11.356  -5.133
   67   2HB   ASP   9          2HB       ASP   9   2.700 -13.033  -5.114
   68    H    LYS  10           H        LYS  10  -1.238 -11.511  -5.275
   69    HA   LYS  10           HA       LYS  10  -1.096  -9.305  -7.156
   70   1HB   LYS  10          1HB       LYS  10  -2.269 -11.127  -8.426
   71   2HB   LYS  10          2HB       LYS  10  -3.531 -11.100  -7.193
   72   1HG   LYS  10          1HG       LYS  10  -4.221  -9.689  -9.052
   73   2HG   LYS  10          2HG       LYS  10  -3.867  -8.664  -7.662
   74   1HD   LYS  10          1HD       LYS  10  -2.020  -7.735  -8.643
   75   2HD   LYS  10          2HD       LYS  10  -1.583  -9.229  -9.474
   76   1HE   LYS  10          1HE       LYS  10  -2.273  -7.854 -11.244
   77   2HE   LYS  10          2HE       LYS  10  -3.732  -8.780 -10.890
   78   1HZ   LYS  10          1HZ       LYS  10  -3.157  -6.136  -9.681
   79   2HZ   LYS  10          2HZ       LYS  10  -4.050  -6.326 -11.114
   80   3HZ   LYS  10          3HZ       LYS  10  -4.622  -6.990  -9.658
   81    H    CYS  11           H        CYS  11  -3.100 -11.020  -4.784
   82    HA   CYS  11           HA       CYS  11  -4.239  -8.489  -3.856
   83   1HB   CYS  11          1HB       CYS  11  -4.751 -11.301  -2.862
   84   2HB   CYS  11          2HB       CYS  11  -5.680  -9.859  -2.454
   85    H    CYS  12           H        CYS  12  -1.327  -9.597  -3.382
   86    HA   CYS  12           HA       CYS  12   0.239  -9.453  -1.712
   87   1HB   CYS  12          1HB       CYS  12  -1.921  -7.694  -0.542
   88   2HB   CYS  12          2HB       CYS  12  -0.338  -7.907   0.206
   89    H    LEU  13           H        LEU  13   0.557 -11.403  -0.817
   90    HA   LEU  13           HA       LEU  13  -1.357 -12.898   0.622
   91   1HB   LEU  13          1HB       LEU  13   1.632 -12.997   0.429
   92   2HB   LEU  13          2HB       LEU  13   0.790 -14.018   1.573
   93    HG   LEU  13           HG       LEU  13   1.304 -15.197  -0.530
   94   1HD1  LEU  13          1HD1      LEU  13  -0.966 -15.349   0.902
   95   2HD1  LEU  13          2HD1      LEU  13  -1.655 -14.856  -0.646
   96   3HD1  LEU  13          3HD1      LEU  13  -0.697 -16.333  -0.536
   97   1HD2  LEU  13          1HD2      LEU  13   1.115 -13.123  -1.962
   98   2HD2  LEU  13          2HD2      LEU  13   0.273 -14.528  -2.615
   99   3HD2  LEU  13          3HD2      LEU  13  -0.637 -13.249  -1.811
  100    H    GLY  14           H        GLY  14   0.972 -10.468   1.585
  101   1HA   GLY  14          1HA       GLY  14   1.581 -10.365   4.052
  102   2HA   GLY  14          2HA       GLY  14  -0.151 -10.541   4.322
  103    H    TYR  15           H        TYR  15   1.289  -8.354   5.292
  104    HA   TYR  15           HA       TYR  15   0.730  -6.123   3.470
  105   1HB   TYR  15          1HB       TYR  15  -0.518  -6.419   6.213
  106   2HB   TYR  15          2HB       TYR  15  -0.513  -4.924   5.278
  107    HD1  TYR  15           HD1      TYR  15  -1.715  -8.433   5.346
  108    HD2  TYR  15           HD2      TYR  15  -1.960  -4.619   3.389
  109    HE1  TYR  15           HE1      TYR  15  -3.700  -9.211   4.079
  110    HE2  TYR  15           HE2      TYR  15  -3.943  -5.395   2.122
  111    HH   TYR  15           HH       TYR  15  -4.882  -8.680   2.010
  112    H    GLN  16           H        GLN  16   1.374  -3.996   4.621
  113    HA   GLN  16           HA       GLN  16   4.107  -4.099   5.243
  114   1HB   GLN  16          1HB       GLN  16   2.383  -2.066   4.687
  115   2HB   GLN  16          2HB       GLN  16   2.613  -1.825   6.413
  116   1HG   GLN  16          1HG       GLN  16   4.836  -2.066   4.361
  117   2HG   GLN  16          2HG       GLN  16   4.286  -0.566   5.102
  118   2HE2  GLN  16          2HE2      GLN  16   4.965  -0.102   7.265
  119   1HE2  GLN  16          1HE2      GLN  16   6.075  -1.076   8.100
  120    H    LYS  17           H        LYS  17   1.282  -3.844   7.348
  121    HA   LYS  17           HA       LYS  17   0.971  -4.634   9.504
  122   1HB   LYS  17          1HB       LYS  17   3.108  -6.109   9.007
  123   2HB   LYS  17          2HB       LYS  17   3.890  -4.933  10.064
  124   1HG   LYS  17          1HG       LYS  17   2.050  -5.349  11.745
  125   2HG   LYS  17          2HG       LYS  17   1.501  -6.676  10.719
  126   1HD   LYS  17          1HD       LYS  17   4.396  -6.620  11.428
  127   2HD   LYS  17          2HD       LYS  17   3.262  -7.054  12.709
  128   1HE   LYS  17          1HE       LYS  17   2.263  -8.765  11.185
  129   2HE   LYS  17          2HE       LYS  17   3.508  -8.384   9.996
  130   1HZ   LYS  17          1HZ       LYS  17   5.110  -8.839  11.935
  131   2HZ   LYS  17          2HZ       LYS  17   3.795  -9.654  12.638
  132   3HZ   LYS  17          3HZ       LYS  17   4.406 -10.160  11.135
  133    H    ARG  18           H        ARG  18   3.813  -2.560   8.994
  134    HA   ARG  18           HA       ARG  18   3.042  -1.014  11.379
  135   1HB   ARG  18          1HB       ARG  18   5.603  -1.514   9.967
  136   2HB   ARG  18          2HB       ARG  18   5.377   0.114  10.606
  137   1HG   ARG  18          1HG       ARG  18   4.624  -2.123  12.413
  138   2HG   ARG  18          2HG       ARG  18   6.347  -1.921  12.096
  139   1HD   ARG  18          1HD       ARG  18   6.016   0.551  12.642
  140   2HD   ARG  18          2HD       ARG  18   4.426   0.105  13.252
  141    HE   ARG  18           HE       ARG  18   6.941  -0.336  14.562
  142   1HH1  ARG  18          1HH1      ARG  18   3.719  -1.637  14.133
  143   2HH1  ARG  18          2HH1      ARG  18   3.725  -2.459  15.653
  144   1HH2  ARG  18          1HH2      ARG  18   6.907  -1.425  16.537
  145   2HH2  ARG  18          2HH2      ARG  18   5.514  -2.342  17.005
  146    HA   PRO  19           HA       PRO  19   1.698   2.289   8.797
  147   1HB   PRO  19          1HB       PRO  19   2.123   4.445  10.421
  148   2HB   PRO  19          2HB       PRO  19   0.839   3.254  10.673
  149   1HG   PRO  19          1HG       PRO  19   3.338   3.654  12.184
  150   2HG   PRO  19          2HG       PRO  19   1.829   2.879  12.686
  151   1HD   PRO  19          1HD       PRO  19   4.245   1.584  11.862
  152   2HD   PRO  19          2HD       PRO  19   2.685   0.816  12.239
  153    H    LEU  20           H        LEU  20   2.321   3.815   7.311
  154    HA   LEU  20           HA       LEU  20   5.209   4.449   7.211
  155   1HB   LEU  20          1HB       LEU  20   3.456   4.736   4.822
  156   2HB   LEU  20          2HB       LEU  20   5.160   4.353   4.912
  157    HG   LEU  20           HG       LEU  20   3.249   2.299   5.930
  158   1HD1  LEU  20          1HD1      LEU  20   2.575   3.421   3.577
  159   2HD1  LEU  20          2HD1      LEU  20   3.806   2.295   3.006
  160   3HD1  LEU  20          3HD1      LEU  20   2.400   1.693   3.885
  161   1HD2  LEU  20          1HD2      LEU  20   5.982   2.512   4.797
  162   2HD2  LEU  20          2HD2      LEU  20   5.355   1.413   6.025
  163   3HD2  LEU  20          3HD2      LEU  20   5.073   1.081   4.316
  164    HA   PRO  21           HA       PRO  21   3.960   8.710   7.463
  165   1HB   PRO  21          1HB       PRO  21   6.294   9.890   6.673
  166   2HB   PRO  21          2HB       PRO  21   6.069   9.126   8.257
  167   1HG   PRO  21          1HG       PRO  21   7.626   8.183   5.931
  168   2HG   PRO  21          2HG       PRO  21   7.803   7.779   7.645
  169   1HD   PRO  21          1HD       PRO  21   6.552   6.190   5.620
  170   2HD   PRO  21          2HD       PRO  21   6.604   5.860   7.368
  171    H    GLN  22           H        GLN  22   2.832  10.024   6.124
  172    HA   GLN  22           HA       GLN  22   2.815   9.610   3.294
  173   1HB   GLN  22          1HB       GLN  22   0.854  10.394   4.692
  174   2HB   GLN  22          2HB       GLN  22   1.640  11.971   4.767
  175   1HG   GLN  22          1HG       GLN  22   1.450  10.803   2.053
  176   2HG   GLN  22          2HG       GLN  22  -0.095  11.224   2.791
  177   2HE2  GLN  22          2HE2      GLN  22  -0.172  12.975   1.082
  178   1HE2  GLN  22          1HE2      GLN  22   0.665  14.424   1.365
  179    H    VAL  23           H        VAL  23   4.885  11.400   5.300
  180    HA   VAL  23           HA       VAL  23   5.416  13.746   3.953
  181    HB   VAL  23           HB       VAL  23   6.408  13.114   6.122
  182   1HG1  VAL  23          1HG1      VAL  23   7.002  10.734   5.005
  183   2HG1  VAL  23          2HG1      VAL  23   8.557  11.539   4.800
  184   3HG1  VAL  23          3HG1      VAL  23   7.860  11.365   6.410
  185   1HG2  VAL  23          1HG2      VAL  23   8.371  13.790   3.913
  186   2HG2  VAL  23          2HG2      VAL  23   7.469  14.926   4.915
  187   3HG2  VAL  23          3HG2      VAL  23   8.735  13.931   5.633
  188    H    LEU  24           H        LEU  24   6.145  10.488   2.947
  189    HA   LEU  24           HA       LEU  24   7.511  11.611   0.583
  190   1HB   LEU  24          1HB       LEU  24   9.183  10.005   0.585
  191   2HB   LEU  24          2HB       LEU  24   9.066  10.506   2.252
  192    HG   LEU  24           HG       LEU  24   9.349   8.195   2.387
  193   1HD1  LEU  24          1HD1      LEU  24   7.308   9.021   3.630
  194   2HD1  LEU  24          2HD1      LEU  24   6.333   8.408   2.295
  195   3HD1  LEU  24          3HD1      LEU  24   7.303   7.297   3.261
  196   1HD2  LEU  24          1HD2      LEU  24   8.665   8.112  -0.218
  197   2HD2  LEU  24          2HD2      LEU  24   8.749   6.668   0.790
  198   3HD2  LEU  24          3HD2      LEU  24   7.193   7.440   0.484
  199    H    LEU  25           H        LEU  25   4.813   9.982   1.563
  200    HA   LEU  25           HA       LEU  25   4.707   7.951  -0.476
  201   1HB   LEU  25          1HB       LEU  25   3.378   8.280   1.824
  202   2HB   LEU  25          2HB       LEU  25   2.231   9.041   0.748
  203    HG   LEU  25           HG       LEU  25   1.957   6.989  -0.502
  204   1HD1  LEU  25          1HD1      LEU  25   4.411   6.229   1.004
  205   2HD1  LEU  25          2HD1      LEU  25   3.227   4.951   0.728
  206   3HD1  LEU  25          3HD1      LEU  25   3.927   5.814  -0.640
  207   1HD2  LEU  25          1HD2      LEU  25   1.749   6.965   2.476
  208   2HD2  LEU  25          2HD2      LEU  25   0.475   6.864   1.261
  209   3HD2  LEU  25          3HD2      LEU  25   1.460   5.447   1.626
  210    H    SER  26           H        SER  26   2.763   7.989  -2.025
  211    HA   SER  26           HA       SER  26   2.385  10.706  -3.129
  212   1HB   SER  26          1HB       SER  26   3.536   8.317  -4.450
  213   2HB   SER  26          2HB       SER  26   2.373   9.238  -5.397
  214    HG   SER  26           HG       SER  26   4.240  10.273  -5.757
  215    H    SER  27           H        SER  27   1.334   7.448  -4.125
  216    HA   SER  27           HA       SER  27  -1.444   8.142  -3.464
  217   1HB   SER  27          1HB       SER  27  -1.046   6.914  -6.131
  218   2HB   SER  27          2HB       SER  27  -2.276   8.046  -5.584
  219    HG   SER  27           HG       SER  27  -1.080   9.573  -6.366
  220    H    TRP  28           H        TRP  28  -2.815   6.098  -4.395
  221    HA   TRP  28           HA       TRP  28  -1.402   3.599  -3.751
  222   1HB   TRP  28          1HB       TRP  28  -3.328   2.922  -2.274
  223   2HB   TRP  28          2HB       TRP  28  -2.319   4.205  -1.608
  224    HD1  TRP  28           HD1      TRP  28  -3.295   6.704  -1.670
  225    HE1  TRP  28           HE1      TRP  28  -5.719   7.577  -1.749
  226    HE3  TRP  28           HE3      TRP  28  -5.724   2.454  -3.148
  227    HZ2  TRP  28           HZ2      TRP  28  -8.338   6.602  -2.359
  228    HZ3  TRP  28           HZ3      TRP  28  -8.177   2.460  -3.471
  229    HH2  TRP  28           HH2      TRP  28  -9.487   4.526  -3.079
  230    H    TYR  29           H        TYR  29  -2.193   1.820  -4.820
  231    HA   TYR  29           HA       TYR  29  -4.547   2.298  -6.539
  232   1HB   TYR  29          1HB       TYR  29  -3.572   1.081  -8.312
  233   2HB   TYR  29          2HB       TYR  29  -2.285   2.117  -7.716
  234    HD1  TYR  29           HD1      TYR  29  -0.439   1.139  -6.303
  235    HD2  TYR  29           HD2      TYR  29  -3.449  -1.304  -8.157
  236    HE1  TYR  29           HE1      TYR  29   0.984  -0.861  -5.983
  237    HE2  TYR  29           HE2      TYR  29  -2.022  -3.306  -7.831
  238    HH   TYR  29           HH       TYR  29   0.672  -3.616  -7.568
  239    HA   PRO  30           HA       PRO  30  -6.127  -1.239  -4.333
  240   1HB   PRO  30          1HB       PRO  30  -8.496  -1.489  -5.670
  241   2HB   PRO  30          2HB       PRO  30  -8.179  -0.239  -4.456
  242   1HG   PRO  30          1HG       PRO  30  -8.380   0.009  -7.394
  243   2HG   PRO  30          2HG       PRO  30  -8.639   1.228  -6.139
  244   1HD   PRO  30          1HD       PRO  30  -6.320   0.922  -7.769
  245   2HD   PRO  30          2HD       PRO  30  -6.514   2.017  -6.381
  246    H    THR  31           H        THR  31  -6.642  -3.475  -4.627
  247    HA   THR  31           HA       THR  31  -5.840  -4.555  -7.266
  248    HB   THR  31           HB       THR  31  -4.200  -5.126  -5.565
  249    HG1  THR  31           HG1      THR  31  -4.672  -6.750  -7.035
  250   1HG2  THR  31          1HG2      THR  31  -6.652  -5.683  -3.992
  251   2HG2  THR  31          2HG2      THR  31  -5.299  -6.787  -3.741
  252   3HG2  THR  31          3HG2      THR  31  -5.090  -5.059  -3.461
  253    H    SER  32           H        SER  32  -6.638  -6.977  -7.370
  254    HA   SER  32           HA       SER  32  -9.471  -6.878  -7.559
  255   1HB   SER  32          1HB       SER  32  -7.382  -8.963  -7.964
  256   2HB   SER  32          2HB       SER  32  -9.042  -9.506  -7.742
  257    HG   SER  32           HG       SER  32  -9.649  -8.389  -9.519
  258    H    GLN  33           H        GLN  33 -11.045  -7.531  -6.201
  259    HA   GLN  33           HA       GLN  33 -10.234  -8.366  -3.509
  260   1HB   GLN  33          1HB       GLN  33 -12.602  -7.812  -2.933
  261   2HB   GLN  33          2HB       GLN  33 -11.689  -6.442  -3.553
  262   1HG   GLN  33          1HG       GLN  33 -13.085  -8.059  -5.606
  263   2HG   GLN  33          2HG       GLN  33 -14.142  -7.193  -4.492
  264   2HE2  GLN  33          2HE2      GLN  33 -14.796  -5.601  -6.083
  265   1HE2  GLN  33          1HE2      GLN  33 -13.718  -4.425  -6.665
  266    H    LEU  34           H        LEU  34 -10.274 -10.208  -5.831
  267    HA   LEU  34           HA       LEU  34 -12.556 -11.950  -5.337
  268   1HB   LEU  34          1HB       LEU  34 -10.200 -12.700  -7.018
  269   2HB   LEU  34          2HB       LEU  34 -11.876 -13.174  -7.192
  270    HG   LEU  34           HG       LEU  34 -11.038 -10.318  -7.637
  271   1HD1  LEU  34          1HD1      LEU  34 -10.550 -12.708  -9.343
  272   2HD1  LEU  34          2HD1      LEU  34 -11.157 -11.259 -10.146
  273   3HD1  LEU  34          3HD1      LEU  34  -9.646 -11.197  -9.237
  274   1HD2  LEU  34          1HD2      LEU  34 -13.467 -11.121  -7.432
  275   2HD2  LEU  34          2HD2      LEU  34 -13.063 -10.203  -8.883
  276   3HD2  LEU  34          3HD2      LEU  34 -13.201 -11.961  -8.961
  277    H    CYS  35           H        CYS  35  -9.150 -11.727  -4.562
  278    HA   CYS  35           HA       CYS  35  -8.662 -14.372  -3.750
  279   1HB   CYS  35          1HB       CYS  35  -7.479 -11.847  -2.572
  280   2HB   CYS  35          2HB       CYS  35  -6.796 -13.469  -2.470
  281    H    SER  36           H        SER  36  -7.917 -14.550  -1.223
  282    HA   SER  36           HA       SER  36 -10.450 -14.513   0.215
  283   1HB   SER  36          1HB       SER  36  -7.738 -15.681   0.841
  284   2HB   SER  36          2HB       SER  36  -9.074 -15.705   1.988
  285    HG   SER  36           HG       SER  36 -10.301 -16.793   0.374
  286    H    LYS  37           H        LYS  37  -7.363 -12.861   0.245
  287    HA   LYS  37           HA       LYS  37  -8.422 -11.058   2.322
  288   1HB   LYS  37          1HB       LYS  37  -6.142 -10.936   3.338
  289   2HB   LYS  37          2HB       LYS  37  -6.905 -12.515   3.521
  290   1HG   LYS  37          1HG       LYS  37  -5.651 -13.004   1.227
  291   2HG   LYS  37          2HG       LYS  37  -4.593 -11.714   1.798
  292   1HD   LYS  37          1HD       LYS  37  -4.125 -12.905   3.843
  293   2HD   LYS  37          2HD       LYS  37  -5.346 -14.124   3.471
  294   1HE   LYS  37          1HE       LYS  37  -4.067 -14.907   1.565
  295   2HE   LYS  37          2HE       LYS  37  -2.902 -13.597   1.757
  296   1HZ   LYS  37          1HZ       LYS  37  -3.418 -15.471   3.971
  297   2HZ   LYS  37          2HZ       LYS  37  -2.355 -15.901   2.722
  298   3HZ   LYS  37          3HZ       LYS  37  -2.040 -14.525   3.669
  299    HA   PRO  38           HA       PRO  38  -6.660  -8.661  -1.191
  300   1HB   PRO  38          1HB       PRO  38  -8.838  -7.066  -1.597
  301   2HB   PRO  38          2HB       PRO  38  -8.637  -8.658  -2.342
  302   1HG   PRO  38          1HG       PRO  38 -10.434  -7.831  -0.147
  303   2HG   PRO  38          2HG       PRO  38 -10.582  -9.185  -1.276
  304   1HD   PRO  38          1HD       PRO  38  -9.694  -9.303   1.434
  305   2HD   PRO  38          2HD       PRO  38  -9.674 -10.625   0.242
  306    H    GLY  39           H        GLY  39  -6.524  -6.193  -1.446
  307   1HA   GLY  39          1HA       GLY  39  -5.429  -5.022   0.846
  308   2HA   GLY  39          2HA       GLY  39  -7.090  -4.449   0.713
  309    H    VAL  40           H        VAL  40  -4.537  -2.982   0.429
  310    HA   VAL  40           HA       VAL  40  -4.619  -2.217  -2.416
  311    HB   VAL  40           HB       VAL  40  -4.657  -0.151  -0.211
  312   1HG1  VAL  40          1HG1      VAL  40  -3.817   0.092  -2.765
  313   2HG1  VAL  40          2HG1      VAL  40  -5.540   0.387  -2.991
  314   3HG1  VAL  40          3HG1      VAL  40  -4.608   1.397  -1.886
  315   1HG2  VAL  40          1HG2      VAL  40  -6.872  -1.580  -1.604
  316   2HG2  VAL  40          2HG2      VAL  40  -6.827  -0.886   0.017
  317   3HG2  VAL  40          3HG2      VAL  40  -7.049   0.160  -1.386
  318    H    ILE  41           H        ILE  41  -2.719  -1.505  -3.244
  319    HA   ILE  41           HA       ILE  41  -0.384  -1.655  -1.449
  320    HB   ILE  41           HB       ILE  41  -0.696  -2.167  -4.411
  321   1HG1  ILE  41          1HG1      ILE  41   0.429  -4.346  -3.603
  322   2HG1  ILE  41          2HG1      ILE  41   0.012  -3.798  -1.979
  323   1HG2  ILE  41          1HG2      ILE  41   1.878  -2.061  -2.799
  324   2HG2  ILE  41          2HG2      ILE  41   1.737  -2.586  -4.478
  325   3HG2  ILE  41          3HG2      ILE  41   1.405  -0.906  -4.048
  326   1HD1  ILE  41          1HD1      ILE  41  -2.191  -3.623  -3.945
  327   2HD1  ILE  41          2HD1      ILE  41  -1.661  -5.263  -3.569
  328   3HD1  ILE  41          3HD1      ILE  41  -2.211  -4.197  -2.277
  329    H    PHE  42           H        PHE  42   0.282   0.291  -0.825
  330    HA   PHE  42           HA       PHE  42  -0.334   2.701  -2.238
  331   1HB   PHE  42          1HB       PHE  42   1.227   1.989   0.201
  332   2HB   PHE  42          2HB       PHE  42   1.596   3.527  -0.579
  333    HD1  PHE  42           HD1      PHE  42  -1.183   1.487   0.839
  334    HD2  PHE  42           HD2      PHE  42   0.139   5.385  -0.387
  335    HE1  PHE  42           HE1      PHE  42  -3.217   2.492   1.840
  336    HE2  PHE  42           HE2      PHE  42  -1.895   6.390   0.613
  337    HZ   PHE  42           HZ       PHE  42  -3.573   4.943   1.728
  338    H    LEU  43           H        LEU  43   1.332   4.231  -2.982
  339    HA   LEU  43           HA       LEU  43   3.758   2.930  -4.036
  340   1HB   LEU  43          1HB       LEU  43   1.988   4.744  -5.668
  341   2HB   LEU  43          2HB       LEU  43   3.449   3.941  -6.202
  342    HG   LEU  43           HG       LEU  43   1.173   2.257  -5.240
  343   1HD1  LEU  43          1HD1      LEU  43   1.192   4.015  -7.642
  344   2HD1  LEU  43          2HD1      LEU  43   0.634   2.359  -7.878
  345   3HD1  LEU  43          3HD1      LEU  43  -0.172   3.403  -6.707
  346   1HD2  LEU  43          1HD2      LEU  43   3.633   1.662  -6.165
  347   2HD2  LEU  43          2HD2      LEU  43   2.240   0.617  -6.452
  348   3HD2  LEU  43          3HD2      LEU  43   2.771   1.742  -7.702
  349    H    THR  44           H        THR  44   5.216   4.039  -2.809
  350    HA   THR  44           HA       THR  44   4.960   6.761  -2.060
  351    HB   THR  44           HB       THR  44   7.323   6.612  -1.437
  352    HG1  THR  44           HG1      THR  44   7.213   4.122  -2.787
  353   1HG2  THR  44          1HG2      THR  44   5.386   4.457  -0.770
  354   2HG2  THR  44          2HG2      THR  44   7.057   4.205  -0.264
  355   3HG2  THR  44          3HG2      THR  44   6.174   5.628   0.287
  356    H    LYS  45           H        LYS  45   6.674   8.420  -2.715
  357    HA   LYS  45           HA       LYS  45   6.351   9.065  -5.437
  358   1HB   LYS  45          1HB       LYS  45   8.448  10.062  -3.491
  359   2HB   LYS  45          2HB       LYS  45   8.044  10.814  -5.035
  360   1HG   LYS  45          1HG       LYS  45   6.011  11.604  -4.279
  361   2HG   LYS  45          2HG       LYS  45   5.810  10.288  -3.123
  362   1HD   LYS  45          1HD       LYS  45   6.265  12.167  -1.764
  363   2HD   LYS  45          2HD       LYS  45   7.818  11.338  -1.876
  364   1HE   LYS  45          1HE       LYS  45   8.494  12.846  -3.712
  365   2HE   LYS  45          2HE       LYS  45   6.945  13.682  -3.592
  366   1HZ   LYS  45          1HZ       LYS  45   7.483  14.255  -1.301
  367   2HZ   LYS  45          2HZ       LYS  45   8.981  13.475  -1.439
  368   3HZ   LYS  45          3HZ       LYS  45   8.655  14.856  -2.373
  369    H    ARG  46           H        ARG  46   9.293   8.023  -3.717
  370    HA   ARG  46           HA       ARG  46  10.238   6.792  -6.235
  371   1HB   ARG  46          1HB       ARG  46  11.375   8.986  -5.733
  372   2HB   ARG  46          2HB       ARG  46  12.011   8.234  -4.269
  373   1HG   ARG  46          1HG       ARG  46  13.410   6.811  -5.438
  374   2HG   ARG  46          2HG       ARG  46  12.368   6.787  -6.862
  375   1HD   ARG  46          1HD       ARG  46  14.196   8.089  -7.562
  376   2HD   ARG  46          2HD       ARG  46  12.996   9.291  -7.101
  377    HE   ARG  46           HE       ARG  46  14.715   8.609  -4.907
  378   1HH1  ARG  46          1HH1      ARG  46  14.511  10.510  -7.840
  379   2HH1  ARG  46          2HH1      ARG  46  15.665  11.678  -7.298
  380   1HH2  ARG  46          1HH2      ARG  46  16.215  10.156  -4.240
  381   2HH2  ARG  46          2HH2      ARG  46  16.622  11.481  -5.277
  382    H    GLY  47           H        GLY  47   9.311   6.151  -3.136
  383   1HA   GLY  47          1HA       GLY  47   9.848   4.561  -1.556
  384   2HA   GLY  47          2HA       GLY  47  11.444   4.434  -2.287
  385    H    ARG  48           H        ARG  48   8.487   2.922  -1.822
  386    HA   ARG  48           HA       ARG  48   8.607   1.233  -4.198
  387   1HB   ARG  48          1HB       ARG  48   9.652   0.403  -1.558
  388   2HB   ARG  48          2HB       ARG  48   8.572  -0.752  -2.335
  389   1HG   ARG  48          1HG       ARG  48   9.948  -0.657  -4.386
  390   2HG   ARG  48          2HG       ARG  48  11.035   0.487  -3.598
  391   1HD   ARG  48          1HD       ARG  48  11.613  -1.168  -1.904
  392   2HD   ARG  48          2HD       ARG  48  10.448  -2.304  -2.576
  393    HE   ARG  48           HE       ARG  48  13.095  -1.750  -3.589
  394   1HH1  ARG  48          1HH1      ARG  48   9.879  -2.859  -4.416
  395   2HH1  ARG  48          2HH1      ARG  48  10.421  -3.759  -5.790
  396   1HH2  ARG  48          1HH2      ARG  48  13.758  -2.937  -5.388
  397   2HH2  ARG  48          2HH2      ARG  48  12.597  -3.804  -6.337
  398    H    GLN  49           H        GLN  49   7.029  -0.803  -3.557
  399    HA   GLN  49           HA       GLN  49   4.461   0.477  -3.080
  400   1HB   GLN  49          1HB       GLN  49   5.387  -2.128  -4.179
  401   2HB   GLN  49          2HB       GLN  49   3.801  -2.105  -3.409
  402   1HG   GLN  49          1HG       GLN  49   3.341  -1.563  -5.661
  403   2HG   GLN  49          2HG       GLN  49   3.354   0.001  -4.843
  404   2HE2  GLN  49          2HE2      GLN  49   4.888  -1.896  -7.312
  405   1HE2  GLN  49          1HE2      GLN  49   6.102  -0.778  -7.706
  406    H    VAL  50           H        VAL  50   2.858  -0.643  -1.638
  407    HA   VAL  50           HA       VAL  50   3.979  -2.147   0.591
  408    HB   VAL  50           HB       VAL  50   2.775   0.602   1.005
  409   1HG1  VAL  50          1HG1      VAL  50   3.541  -1.612   2.914
  410   2HG1  VAL  50          2HG1      VAL  50   3.484   0.073   3.427
  411   3HG1  VAL  50          3HG1      VAL  50   2.025  -0.715   2.832
  412   1HG2  VAL  50          1HG2      VAL  50   5.553  -0.541   1.351
  413   2HG2  VAL  50          2HG2      VAL  50   5.065   0.825   0.348
  414   3HG2  VAL  50          3HG2      VAL  50   5.044   0.969   2.107
  415    H    CYS  51           H        CYS  51   2.572  -3.754   0.763
  416    HA   CYS  51           HA       CYS  51  -0.196  -3.525   0.008
  417   1HB   CYS  51          1HB       CYS  51   1.215  -5.700   1.579
  418   2HB   CYS  51          2HB       CYS  51  -0.388  -5.822   0.856
  419    H    ALA  52           H        ALA  52  -1.468  -2.232   1.236
  420    HA   ALA  52           HA       ALA  52  -1.280  -2.551   4.180
  421   1HB   ALA  52          1HB       ALA  52  -0.791  -0.250   2.903
  422   2HB   ALA  52          2HB       ALA  52  -2.546  -0.122   3.024
  423   3HB   ALA  52          3HB       ALA  52  -1.572  -0.304   4.483
  424    H    ASP  53           H        ASP  53  -3.126  -2.848   5.340
  425    HA   ASP  53           HA       ASP  53  -5.502  -3.625   3.812
  426   1HB   ASP  53          1HB       ASP  53  -4.432  -4.204   6.525
  427   2HB   ASP  53          2HB       ASP  53  -6.188  -4.151   6.366
  428    H    LYS  54           H        LYS  54  -7.295  -2.426   3.707
  429    HA   LYS  54           HA       LYS  54  -7.375   0.247   4.566
  430   1HB   LYS  54          1HB       LYS  54  -9.820   0.120   4.041
  431   2HB   LYS  54          2HB       LYS  54  -8.788  -0.485   2.744
  432   1HG   LYS  54          1HG       LYS  54  -9.248  -2.756   3.297
  433   2HG   LYS  54          2HG       LYS  54  -9.963  -2.310   4.848
  434   1HD   LYS  54          1HD       LYS  54 -11.812  -1.176   3.685
  435   2HD   LYS  54          2HD       LYS  54 -11.097  -1.593   2.128
  436   1HE   LYS  54          1HE       LYS  54 -12.582  -3.352   2.350
  437   2HE   LYS  54          2HE       LYS  54 -11.173  -4.050   3.149
  438   1HZ   LYS  54          1HZ       LYS  54 -13.092  -2.462   4.711
  439   2HZ   LYS  54          2HZ       LYS  54 -13.460  -4.076   4.328
  440   3HZ   LYS  54          3HZ       LYS  54 -12.064  -3.710   5.223
  441    H    SER  55           H        SER  55  -8.306  -2.716   6.162
  442    HA   SER  55           HA       SER  55 -10.032  -1.720   8.132
  443   1HB   SER  55          1HB       SER  55  -8.348  -4.119   7.807
  444   2HB   SER  55          2HB       SER  55  -8.750  -3.703   9.470
  445    HG   SER  55           HG       SER  55 -10.967  -3.544   8.702
  446    H    LYS  56           H        LYS  56  -6.564  -1.513   7.808
  447    HA   LYS  56           HA       LYS  56  -5.833  -0.978  10.467
  448   1HB   LYS  56          1HB       LYS  56  -4.651  -0.031   7.850
  449   2HB   LYS  56          2HB       LYS  56  -3.910   0.291   9.419
  450   1HG   LYS  56          1HG       LYS  56  -4.666  -2.511   8.600
  451   2HG   LYS  56          2HG       LYS  56  -3.117  -1.809   8.130
  452   1HD   LYS  56          1HD       LYS  56  -2.339  -1.712  10.315
  453   2HD   LYS  56          2HD       LYS  56  -3.964  -1.625  10.998
  454   1HE   LYS  56          1HE       LYS  56  -3.528  -3.821  11.504
  455   2HE   LYS  56          2HE       LYS  56  -4.111  -4.061   9.857
  456   1HZ   LYS  56          1HZ       LYS  56  -1.694  -3.708   9.191
  457   2HZ   LYS  56          2HZ       LYS  56  -1.323  -3.967  10.829
  458   3HZ   LYS  56          3HZ       LYS  56  -2.091  -5.184   9.926
  459    H    ASP  57           H        ASP  57  -4.761   1.360  10.872
  460    HA   ASP  57           HA       ASP  57  -7.012   3.258  10.635
  461   1HB   ASP  57          1HB       ASP  57  -4.730   3.178  12.623
  462   2HB   ASP  57          2HB       ASP  57  -6.005   4.396  12.588
  463    H    TRP  58           H        TRP  58  -3.471   3.034  10.448
  464    HA   TRP  58           HA       TRP  58  -3.117   5.727   9.576
  465   1HB   TRP  58          1HB       TRP  58  -0.823   5.032   8.979
  466   2HB   TRP  58          2HB       TRP  58  -1.265   4.538  10.610
  467    HD1  TRP  58           HD1      TRP  58  -1.683   1.946  11.053
  468    HE1  TRP  58           HE1      TRP  58  -0.903  -0.151   9.776
  469    HE3  TRP  58           HE3      TRP  58  -0.345   4.066   6.610
  470    HZ2  TRP  58           HZ2      TRP  58   0.151  -0.843   7.193
  471    HZ3  TRP  58           HZ3      TRP  58   0.546   2.673   4.763
  472    HH2  TRP  58           HH2      TRP  58   0.791   0.226   5.050
  473    H    VAL  59           H        VAL  59  -3.828   2.727   7.949
  474    HA   VAL  59           HA       VAL  59  -3.112   3.629   5.319
  475    HB   VAL  59           HB       VAL  59  -5.052   1.430   6.063
  476   1HG1  VAL  59          1HG1      VAL  59  -4.877   2.356   3.655
  477   2HG1  VAL  59          2HG1      VAL  59  -3.269   1.634   3.636
  478   3HG1  VAL  59          3HG1      VAL  59  -4.689   0.616   3.867
  479   1HG2  VAL  59          1HG2      VAL  59  -2.832   1.172   7.175
  480   2HG2  VAL  59          2HG2      VAL  59  -3.121  -0.073   5.960
  481   3HG2  VAL  59          3HG2      VAL  59  -2.056   1.285   5.596
  482    H    LYS  60           H        LYS  60  -5.994   3.683   7.312
  483    HA   LYS  60           HA       LYS  60  -7.862   4.406   5.310
  484   1HB   LYS  60          1HB       LYS  60  -8.326   3.618   7.711
  485   2HB   LYS  60          2HB       LYS  60  -8.033   5.292   8.187
  486   1HG   LYS  60          1HG       LYS  60  -9.733   5.879   6.300
  487   2HG   LYS  60          2HG       LYS  60 -10.218   4.188   6.432
  488   1HD   LYS  60          1HD       LYS  60 -10.823   4.444   8.732
  489   2HD   LYS  60          2HD       LYS  60 -10.046   6.025   8.831
  490   1HE   LYS  60          1HE       LYS  60 -12.205   6.743   8.514
  491   2HE   LYS  60          2HE       LYS  60 -11.760   6.528   6.821
  492   1HZ   LYS  60          1HZ       LYS  60 -12.982   4.381   8.457
  493   2HZ   LYS  60          2HZ       LYS  60 -13.895   5.457   7.516
  494   3HZ   LYS  60          3HZ       LYS  60 -12.778   4.415   6.770
  495    H    LYS  61           H        LYS  61  -5.900   6.350   7.549
  496    HA   LYS  61           HA       LYS  61  -6.891   8.878   6.811
  497   1HB   LYS  61          1HB       LYS  61  -4.190   8.040   7.881
  498   2HB   LYS  61          2HB       LYS  61  -4.663   9.724   7.655
  499   1HG   LYS  61          1HG       LYS  61  -6.350   9.601   9.289
  500   2HG   LYS  61          2HG       LYS  61  -6.417   7.840   9.219
  501   1HD   LYS  61          1HD       LYS  61  -5.271   8.432  11.256
  502   2HD   LYS  61          2HD       LYS  61  -4.062   7.803  10.136
  503   1HE   LYS  61          1HE       LYS  61  -2.974   9.730  10.780
  504   2HE   LYS  61          2HE       LYS  61  -3.923  10.386   9.446
  505   1HZ   LYS  61          1HZ       LYS  61  -5.697  10.782  11.220
  506   2HZ   LYS  61          2HZ       LYS  61  -4.440  10.576  12.345
  507   3HZ   LYS  61          3HZ       LYS  61  -4.353  11.822  11.197
  508    H    LEU  62           H        LEU  62  -4.174   6.984   5.533
  509    HA   LEU  62           HA       LEU  62  -3.229   8.902   3.691
  510   1HB   LEU  62          1HB       LEU  62  -3.169   5.894   3.548
  511   2HB   LEU  62          2HB       LEU  62  -2.287   6.954   2.473
  512    HG   LEU  62           HG       LEU  62  -1.838   7.248   5.409
  513   1HD1  LEU  62          1HD1      LEU  62  -1.015   4.924   3.685
  514   2HD1  LEU  62          2HD1      LEU  62   0.028   5.467   4.999
  515   3HD1  LEU  62          3HD1      LEU  62  -1.610   4.917   5.344
  516   1HD2  LEU  62          1HD2      LEU  62  -0.419   7.740   2.825
  517   2HD2  LEU  62          2HD2      LEU  62  -0.518   8.759   4.261
  518   3HD2  LEU  62          3HD2      LEU  62   0.569   7.370   4.238
  519    H    MET  63           H        MET  63  -5.623   6.326   3.412
  520    HA   MET  63           HA       MET  63  -6.200   6.448   0.694
  521   1HB   MET  63          1HB       MET  63  -7.903   5.817   3.090
  522   2HB   MET  63          2HB       MET  63  -8.593   5.826   1.468
  523   1HG   MET  63          1HG       MET  63  -6.383   4.359   0.984
  524   2HG   MET  63          2HG       MET  63  -6.624   3.951   2.682
  525   1HE   MET  63          1HE       MET  63  -7.046   3.380  -0.614
  526   2HE   MET  63          2HE       MET  63  -7.213   1.692  -0.113
  527   3HE   MET  63          3HE       MET  63  -8.524   2.493  -0.974
  528    H    GLN  64           H        GLN  64  -7.290   8.530   3.312
  529    HA   GLN  64           HA       GLN  64  -9.047  10.052   1.552
  530   1HB   GLN  64          1HB       GLN  64  -8.469   9.999   4.470
  531   2HB   GLN  64          2HB       GLN  64  -9.021  11.529   3.786
  532   1HG   GLN  64          1HG       GLN  64 -10.499   9.090   2.939
  533   2HG   GLN  64          2HG       GLN  64 -10.728   9.608   4.609
  534   2HE2  GLN  64          2HE2      GLN  64 -11.922  11.547   4.990
  535   1HE2  GLN  64          1HE2      GLN  64 -12.645  12.444   3.743
  536    H    GLN  65           H        GLN  65  -5.868  10.295   3.005
  537    HA   GLN  65           HA       GLN  65  -5.456  13.065   2.409
  538   1HB   GLN  65          1HB       GLN  65  -3.725  10.788   3.289
  539   2HB   GLN  65          2HB       GLN  65  -2.962  12.248   2.664
  540   1HG   GLN  65          1HG       GLN  65  -4.785  13.358   4.335
  541   2HG   GLN  65          2HG       GLN  65  -4.484  11.838   5.178
  542   2HE2  GLN  65          2HE2      GLN  65  -3.625  14.531   6.068
  543   1HE2  GLN  65          1HE2      GLN  65  -1.930  14.485   6.149
  544    H    LEU  66           H        LEU  66  -4.932  10.047   0.706
  545    HA   LEU  66           HA       LEU  66  -3.781  11.547  -1.569
  546   1HB   LEU  66          1HB       LEU  66  -3.517   8.663  -0.737
  547   2HB   LEU  66          2HB       LEU  66  -3.078   9.224  -2.335
  548    HG   LEU  66           HG       LEU  66  -1.331  10.634  -1.413
  549   1HD1  LEU  66          1HD1      LEU  66  -2.667   9.911   1.170
  550   2HD1  LEU  66          2HD1      LEU  66  -0.932  10.227   1.171
  551   3HD1  LEU  66          3HD1      LEU  66  -2.055  11.473   0.628
  552   1HD2  LEU  66          1HD2      LEU  66  -1.266   7.912  -1.500
  553   2HD2  LEU  66          2HD2      LEU  66   0.129   8.903  -1.078
  554   3HD2  LEU  66          3HD2      LEU  66  -0.858   8.183   0.193
  555    HA   PRO  67           HA       PRO  67  -7.515  10.515  -3.693
  556   1HB   PRO  67          1HB       PRO  67  -6.690  10.834  -6.287
  557   2HB   PRO  67          2HB       PRO  67  -7.028  12.179  -5.186
  558   1HG   PRO  67          1HG       PRO  67  -4.419  11.122  -6.122
  559   2HG   PRO  67          2HG       PRO  67  -4.854  12.758  -5.605
  560   1HD   PRO  67          1HD       PRO  67  -3.464  10.845  -4.060
  561   2HD   PRO  67          2HD       PRO  67  -4.199  12.348  -3.452
  562    H    VAL  68           H        VAL  68  -5.326   9.305  -6.208
  563    HA   VAL  68           HA       VAL  68  -5.169   6.631  -5.508
  564    HB   VAL  68           HB       VAL  68  -7.833   7.190  -5.979
  565   1HG1  VAL  68          1HG1      VAL  68  -7.365   7.494  -8.431
  566   2HG1  VAL  68          2HG1      VAL  68  -6.854   5.807  -8.486
  567   3HG1  VAL  68          3HG1      VAL  68  -8.520   6.211  -8.067
  568   1HG2  VAL  68          1HG2      VAL  68  -6.465   5.137  -5.042
  569   2HG2  VAL  68          2HG2      VAL  68  -8.127   4.933  -5.595
  570   3HG2  VAL  68          3HG2      VAL  68  -6.786   4.470  -6.643
  571    H    THR  69           H        THR  69  -4.505   5.243  -7.342
  572    HA   THR  69           HA       THR  69  -2.652   6.589  -9.002
  573    HB   THR  69           HB       THR  69  -2.835   4.235 -10.257
  574    HG1  THR  69           HG1      THR  69  -4.724   3.704  -9.026
  575   1HG2  THR  69          1HG2      THR  69  -0.944   5.161  -8.874
  576   2HG2  THR  69          2HG2      THR  69  -1.729   4.482  -7.449
  577   3HG2  THR  69          3HG2      THR  69  -1.152   3.416  -8.731
  578    H    ALA  70           H        ALA  70  -2.679   7.103 -11.162
  579    HA   ALA  70           HA       ALA  70  -3.568   7.775 -13.174
  580   1HB   ALA  70          1HB       ALA  70  -5.129   6.326 -14.266
  581   2HB   ALA  70          2HB       ALA  70  -4.057   5.294 -13.319
  582   3HB   ALA  70          3HB       ALA  70  -5.679   5.657 -12.729
  583    H    ARG  71           H        ARG  71  -4.269   9.808 -12.680
  584    HA   ARG  71           HA       ARG  71  -6.689  10.331 -11.233
  585   1HB   ARG  71          1HB       ARG  71  -6.331  12.684 -12.007
  586   2HB   ARG  71          2HB       ARG  71  -4.926  11.989 -11.200
  587   1HG   ARG  71          1HG       ARG  71  -3.719  11.780 -13.180
  588   2HG   ARG  71          2HG       ARG  71  -5.174  11.723 -14.178
  589   1HD   ARG  71          1HD       ARG  71  -5.485  14.040 -14.084
  590   2HD   ARG  71          2HD       ARG  71  -4.526  14.209 -12.618
  591    HE   ARG  71           HE       ARG  71  -2.894  13.270 -14.752
  592   1HH1  ARG  71          1HH1      ARG  71  -4.527  16.144 -13.598
  593   2HH1  ARG  71          2HH1      ARG  71  -3.410  17.222 -14.362
  594   1HH2  ARG  71          1HH2      ARG  71  -1.462  14.711 -15.731
  595   2HH2  ARG  71          2HH2      ARG  71  -1.689  16.419 -15.559

  No H/Q in entry =         595
  Start of MODEL   18
    1    H1   LEU   1           H1       LEU   1  -9.108  -9.349 -31.491
    2    H2   LEU   1           H2       LEU   1  -8.757  -9.761 -33.101
    3    H3   LEU   1           H3       LEU   1  -9.307 -10.948 -32.018
    4    HA   LEU   1           HA       LEU   1  -7.024 -11.334 -32.165
    5   1HB   LEU   1          1HB       LEU   1  -6.854  -8.319 -32.040
    6   2HB   LEU   1          2HB       LEU   1  -5.448  -9.343 -31.744
    7    HG   LEU   1           HG       LEU   1  -7.059  -9.938 -34.178
    8   1HD1  LEU   1          1HD1      LEU   1  -5.458  -7.428 -33.738
    9   2HD1  LEU   1          2HD1      LEU   1  -5.518  -8.169 -35.338
   10   3HD1  LEU   1          3HD1      LEU   1  -7.005  -7.626 -34.562
   11   1HD2  LEU   1          1HD2      LEU   1  -4.208 -10.067 -33.247
   12   2HD2  LEU   1          2HD2      LEU   1  -5.199 -11.328 -33.979
   13   3HD2  LEU   1          3HD2      LEU   1  -4.540 -10.033 -34.978
   14    H    GLY   2           H        GLY   2  -7.056 -12.472 -30.312
   15   1HA   GLY   2          1HA       GLY   2  -7.586 -12.753 -27.982
   16   2HA   GLY   2          2HA       GLY   2  -7.315 -11.028 -27.750
   17    H    ALA   3           H        ALA   3  -6.100 -12.642 -26.005
   18    HA   ALA   3           HA       ALA   3  -3.557 -13.648 -26.718
   19   1HB   ALA   3          1HB       ALA   3  -2.761 -11.489 -27.201
   20   2HB   ALA   3          2HB       ALA   3  -3.666 -10.760 -25.876
   21   3HB   ALA   3          3HB       ALA   3  -2.251 -11.753 -25.533
   22    H    SER   4           H        SER   4  -2.146 -13.938 -24.748
   23    HA   SER   4           HA       SER   4  -3.878 -14.551 -22.450
   24   1HB   SER   4          1HB       SER   4  -1.039 -15.473 -22.892
   25   2HB   SER   4          2HB       SER   4  -2.224 -16.131 -21.767
   26    HG   SER   4           HG       SER   4  -3.500 -16.627 -23.679
   27    H    TRP   5           H        TRP   5  -0.530 -13.471 -22.970
   28    HA   TRP   5           HA       TRP   5   0.789 -11.961 -21.841
   29   1HB   TRP   5          1HB       TRP   5  -1.418 -10.576 -22.374
   30   2HB   TRP   5          2HB       TRP   5  -1.591 -10.633 -20.620
   31    HD1  TRP   5           HD1      TRP   5   1.024  -9.630 -23.280
   32    HE1  TRP   5           HE1      TRP   5   2.477  -7.737 -22.305
   33    HE3  TRP   5           HE3      TRP   5  -0.897  -9.388 -18.554
   34    HZ2  TRP   5           HZ2      TRP   5   2.784  -6.309 -19.845
   35    HZ3  TRP   5           HZ3      TRP   5  -0.006  -7.754 -16.917
   36    HH2  TRP   5           HH2      TRP   5   1.830  -6.216 -17.556
   37    H    HIS   6           H        HIS   6   1.545 -11.370 -19.716
   38    HA   HIS   6           HA       HIS   6   0.498 -13.178 -17.620
   39   1HB   HIS   6          1HB       HIS   6   2.794 -13.024 -16.635
   40   2HB   HIS   6          2HB       HIS   6   2.759 -13.787 -18.226
   41    HD1  HIS   6           HD1      HIS   6   3.560 -12.300 -20.272
   42    HD2  HIS   6           HD2      HIS   6   4.250 -10.624 -16.518
   43    HE1  HIS   6           HE1      HIS   6   5.200 -10.402 -20.625
   44    H    ARG   7           H        ARG   7  -0.520 -12.203 -16.013
   45    HA   ARG   7           HA       ARG   7  -0.279  -9.332 -15.626
   46   1HB   ARG   7          1HB       ARG   7  -2.085 -11.485 -14.630
   47   2HB   ARG   7          2HB       ARG   7  -1.900 -10.045 -13.630
   48   1HG   ARG   7          1HG       ARG   7  -3.583  -9.271 -14.984
   49   2HG   ARG   7          2HG       ARG   7  -2.222  -8.861 -16.029
   50   1HD   ARG   7          1HD       ARG   7  -3.462 -10.060 -17.546
   51   2HD   ARG   7          2HD       ARG   7  -2.575 -11.394 -16.818
   52    HE   ARG   7           HE       ARG   7  -4.583 -12.172 -15.986
   53   1HH1  ARG   7          1HH1      ARG   7  -4.889  -8.756 -16.688
   54   2HH1  ARG   7          2HH1      ARG   7  -6.577  -8.713 -16.310
   55   1HH2  ARG   7          1HH2      ARG   7  -6.784 -12.072 -15.502
   56   2HH2  ARG   7          2HH2      ARG   7  -7.642 -10.574 -15.643
   57    HA   PRO   8           HA       PRO   8   2.451  -9.555 -12.160
   58   1HB   PRO   8          1HB       PRO   8   1.600  -7.460 -10.627
   59   2HB   PRO   8          2HB       PRO   8   2.467  -7.269 -12.158
   60   1HG   PRO   8          1HG       PRO   8  -0.391  -6.810 -11.549
   61   2HG   PRO   8          2HG       PRO   8   0.618  -6.106 -12.821
   62   1HD   PRO   8          1HD       PRO   8  -1.269  -8.216 -13.122
   63   2HD   PRO   8          2HD       PRO   8  -0.100  -7.651 -14.337
   64    H    ASP   9           H        ASP   9   2.225  -8.998  -9.518
   65    HA   ASP   9           HA       ASP   9   1.018 -11.300  -8.424
   66   1HB   ASP   9          1HB       ASP   9   2.221  -8.810  -7.291
   67   2HB   ASP   9          2HB       ASP   9   1.275  -9.851  -6.226
   68    H    LYS  10           H        LYS  10   0.080  -7.889  -8.119
   69    HA   LYS  10           HA       LYS  10  -1.954  -6.870  -7.826
   70   1HB   LYS  10          1HB       LYS  10  -3.118  -9.548  -8.624
   71   2HB   LYS  10          2HB       LYS  10  -3.996  -8.023  -8.528
   72   1HG   LYS  10          1HG       LYS  10  -1.584  -8.479 -10.305
   73   2HG   LYS  10          2HG       LYS  10  -3.255  -8.603 -10.856
   74   1HD   LYS  10          1HD       LYS  10  -3.367  -6.185  -9.660
   75   2HD   LYS  10          2HD       LYS  10  -1.671  -6.189 -10.144
   76   1HE   LYS  10          1HE       LYS  10  -2.542  -5.400 -12.112
   77   2HE   LYS  10          2HE       LYS  10  -2.786  -7.119 -12.423
   78   1HZ   LYS  10          1HZ       LYS  10  -5.012  -6.830 -11.322
   79   2HZ   LYS  10          2HZ       LYS  10  -4.758  -5.153 -11.415
   80   3HZ   LYS  10          3HZ       LYS  10  -4.837  -6.077 -12.835
   81    H    CYS  11           H        CYS  11  -2.711 -10.187  -6.794
   82    HA   CYS  11           HA       CYS  11  -4.123  -9.406  -4.484
   83   1HB   CYS  11          1HB       CYS  11  -2.682 -12.035  -4.914
   84   2HB   CYS  11          2HB       CYS  11  -4.024 -11.733  -3.813
   85    H    CYS  12           H        CYS  12  -3.240 -10.679  -2.320
   86    HA   CYS  12           HA       CYS  12  -0.500 -10.459  -1.686
   87   1HB   CYS  12          1HB       CYS  12  -1.061  -8.007  -2.026
   88   2HB   CYS  12          2HB       CYS  12  -2.123  -8.139  -0.625
   89    H    LEU  13           H        LEU  13  -0.077 -10.938   0.535
   90    HA   LEU  13           HA       LEU  13  -2.468 -11.824   2.041
   91   1HB   LEU  13          1HB       LEU  13  -0.748 -13.518   3.033
   92   2HB   LEU  13          2HB       LEU  13  -1.561 -13.860   1.523
   93    HG   LEU  13           HG       LEU  13   1.144 -12.548   1.516
   94   1HD1  LEU  13          1HD1      LEU  13   0.869 -14.819   2.906
   95   2HD1  LEU  13          2HD1      LEU  13   0.923 -15.516   1.286
   96   3HD1  LEU  13          3HD1      LEU  13   2.266 -14.532   1.868
   97   1HD2  LEU  13          1HD2      LEU  13  -0.593 -13.072  -0.480
   98   2HD2  LEU  13          2HD2      LEU  13   1.155 -13.137  -0.706
   99   3HD2  LEU  13          3HD2      LEU  13   0.247 -14.622  -0.424
  100    H    GLY  14           H        GLY  14   0.888 -10.721   2.251
  101   1HA   GLY  14          1HA       GLY  14   2.065 -10.009   4.174
  102   2HA   GLY  14          2HA       GLY  14   0.568 -10.110   5.099
  103    H    TYR  15           H        TYR  15   0.943  -7.998   5.939
  104    HA   TYR  15           HA       TYR  15   0.712  -5.803   3.979
  105   1HB   TYR  15          1HB       TYR  15  -0.954  -6.150   6.481
  106   2HB   TYR  15          2HB       TYR  15  -0.904  -4.681   5.507
  107    HD1  TYR  15           HD1      TYR  15  -1.564  -8.359   5.251
  108    HD2  TYR  15           HD2      TYR  15  -2.302  -4.451   3.642
  109    HE1  TYR  15           HE1      TYR  15  -3.244  -9.316   3.698
  110    HE2  TYR  15           HE2      TYR  15  -3.980  -5.401   2.087
  111    HH   TYR  15           HH       TYR  15  -4.185  -8.371   1.202
  112    H    GLN  16           H        GLN  16   1.067  -3.640   5.084
  113    HA   GLN  16           HA       GLN  16   3.608  -3.693   6.383
  114   1HB   GLN  16          1HB       GLN  16   2.554  -1.830   4.887
  115   2HB   GLN  16          2HB       GLN  16   1.818  -1.285   6.377
  116   1HG   GLN  16          1HG       GLN  16   3.933  -0.111   6.015
  117   2HG   GLN  16          2HG       GLN  16   4.053  -1.151   7.429
  118   2HE2  GLN  16          2HE2      GLN  16   5.196  -0.678   4.132
  119   1HE2  GLN  16          1HE2      GLN  16   6.372  -1.900   4.175
  120    H    LYS  17           H        LYS  17   3.847  -4.329   8.422
  121    HA   LYS  17           HA       LYS  17   1.723  -4.101  10.354
  122   1HB   LYS  17          1HB       LYS  17   3.415  -5.013  11.943
  123   2HB   LYS  17          2HB       LYS  17   3.222  -6.002  10.495
  124   1HG   LYS  17          1HG       LYS  17   5.301  -5.461   9.678
  125   2HG   LYS  17          2HG       LYS  17   5.275  -3.846  10.387
  126   1HD   LYS  17          1HD       LYS  17   6.866  -4.941  11.712
  127   2HD   LYS  17          2HD       LYS  17   5.394  -5.120  12.668
  128   1HE   LYS  17          1HE       LYS  17   6.086  -7.318  12.665
  129   2HE   LYS  17          2HE       LYS  17   5.147  -7.324  11.173
  130   1HZ   LYS  17          1HZ       LYS  17   8.047  -6.718  11.257
  131   2HZ   LYS  17          2HZ       LYS  17   7.436  -8.284  11.008
  132   3HZ   LYS  17          3HZ       LYS  17   7.096  -7.047   9.893
  133    H    ARG  18           H        ARG  18   4.061  -1.925   9.212
  134    HA   ARG  18           HA       ARG  18   3.846  -0.351  11.709
  135   1HB   ARG  18          1HB       ARG  18   5.999   0.692  11.149
  136   2HB   ARG  18          2HB       ARG  18   6.170  -1.055  11.311
  137   1HG   ARG  18          1HG       ARG  18   5.597  -0.841   8.647
  138   2HG   ARG  18          2HG       ARG  18   6.478   0.660   8.918
  139   1HD   ARG  18          1HD       ARG  18   8.076  -1.035  10.272
  140   2HD   ARG  18          2HD       ARG  18   7.429  -2.152   9.076
  141    HE   ARG  18           HE       ARG  18   8.722  -1.085   7.481
  142   1HH1  ARG  18          1HH1      ARG  18   8.343   1.023  10.249
  143   2HH1  ARG  18          2HH1      ARG  18   9.430   2.218   9.631
  144   1HH2  ARG  18          1HH2      ARG  18  10.132   0.497   6.712
  145   2HH2  ARG  18          2HH2      ARG  18  10.436   1.924   7.645
  146    HA   PRO  19           HA       PRO  19   1.941   2.686   9.114
  147   1HB   PRO  19          1HB       PRO  19   2.135   4.856  10.761
  148   2HB   PRO  19          2HB       PRO  19   1.003   3.522  11.022
  149   1HG   PRO  19          1HG       PRO  19   3.469   4.195  12.493
  150   2HG   PRO  19          2HG       PRO  19   2.062   3.259  13.018
  151   1HD   PRO  19          1HD       PRO  19   4.587   2.233  12.158
  152   2HD   PRO  19          2HD       PRO  19   3.118   1.301  12.535
  153    H    LEU  20           H        LEU  20   2.591   3.918   7.436
  154    HA   LEU  20           HA       LEU  20   5.298   5.102   7.545
  155   1HB   LEU  20          1HB       LEU  20   3.902   4.938   4.946
  156   2HB   LEU  20          2HB       LEU  20   5.582   4.657   5.337
  157    HG   LEU  20           HG       LEU  20   3.276   2.723   5.628
  158   1HD1  LEU  20          1HD1      LEU  20   4.737   3.280   3.432
  159   2HD1  LEU  20          2HD1      LEU  20   5.812   2.108   4.194
  160   3HD1  LEU  20          3HD1      LEU  20   4.154   1.656   3.795
  161   1HD2  LEU  20          1HD2      LEU  20   6.012   2.760   6.832
  162   2HD2  LEU  20          2HD2      LEU  20   4.512   2.095   7.477
  163   3HD2  LEU  20          3HD2      LEU  20   5.402   1.218   6.231
  164    HA   PRO  21           HA       PRO  21   3.373   9.085   7.245
  165   1HB   PRO  21          1HB       PRO  21   5.531  10.563   6.436
  166   2HB   PRO  21          2HB       PRO  21   5.328   9.937   8.082
  167   1HG   PRO  21          1HG       PRO  21   7.157   9.029   5.946
  168   2HG   PRO  21          2HG       PRO  21   7.303   8.861   7.700
  169   1HD   PRO  21          1HD       PRO  21   6.472   6.850   5.855
  170   2HD   PRO  21          2HD       PRO  21   6.434   6.752   7.632
  171    H    GLN  22           H        GLN  22   2.365  10.398   5.747
  172    HA   GLN  22           HA       GLN  22   2.329   9.545   3.011
  173   1HB   GLN  22          1HB       GLN  22   0.393  10.570   4.337
  174   2HB   GLN  22          2HB       GLN  22   1.170  12.128   4.051
  175   1HG   GLN  22          1HG       GLN  22   0.916  10.433   1.643
  176   2HG   GLN  22          2HG       GLN  22  -0.620  10.950   2.336
  177   2HE2  GLN  22          2HE2      GLN  22   1.627  11.891   0.089
  178   1HE2  GLN  22          1HE2      GLN  22   1.400  13.572   0.149
  179    H    VAL  23           H        VAL  23   4.460  11.558   4.699
  180    HA   VAL  23           HA       VAL  23   4.948  13.671   2.973
  181    HB   VAL  23           HB       VAL  23   5.938  13.447   5.227
  182   1HG1  VAL  23          1HG1      VAL  23   6.510  10.950   4.777
  183   2HG1  VAL  23          2HG1      VAL  23   7.983  11.580   4.046
  184   3HG1  VAL  23          3HG1      VAL  23   7.633  11.905   5.744
  185   1HG2  VAL  23          1HG2      VAL  23   7.935  13.733   2.967
  186   2HG2  VAL  23          2HG2      VAL  23   6.956  15.022   3.670
  187   3HG2  VAL  23          3HG2      VAL  23   8.217  14.249   4.631
  188    H    LEU  24           H        LEU  24   6.271  10.397   2.905
  189    HA   LEU  24           HA       LEU  24   7.678  10.983   0.405
  190   1HB   LEU  24          1HB       LEU  24   9.060   9.278   0.911
  191   2HB   LEU  24          2HB       LEU  24   8.429   9.486   2.525
  192    HG   LEU  24           HG       LEU  24   7.429   7.440   0.520
  193   1HD1  LEU  24          1HD1      LEU  24   9.297   7.215   2.889
  194   2HD1  LEU  24          2HD1      LEU  24   8.563   5.831   2.078
  195   3HD1  LEU  24          3HD1      LEU  24   9.674   6.881   1.199
  196   1HD2  LEU  24          1HD2      LEU  24   6.354   8.445   3.013
  197   2HD2  LEU  24          2HD2      LEU  24   5.670   7.245   1.921
  198   3HD2  LEU  24          3HD2      LEU  24   6.781   6.748   3.195
  199    H    LEU  25           H        LEU  25   4.935   9.245   1.662
  200    HA   LEU  25           HA       LEU  25   4.395   7.537  -0.479
  201   1HB   LEU  25          1HB       LEU  25   3.232   7.956   1.898
  202   2HB   LEU  25          2HB       LEU  25   2.095   8.805   0.880
  203    HG   LEU  25           HG       LEU  25   1.583   6.794  -0.345
  204   1HD1  LEU  25          1HD1      LEU  25   4.076   5.841   0.972
  205   2HD1  LEU  25          2HD1      LEU  25   2.791   4.652   0.762
  206   3HD1  LEU  25          3HD1      LEU  25   3.452   5.492  -0.640
  207   1HD2  LEU  25          1HD2      LEU  25   1.587   6.716   2.643
  208   2HD2  LEU  25          2HD2      LEU  25   0.224   6.746   1.525
  209   3HD2  LEU  25          3HD2      LEU  25   1.119   5.249   1.784
  210    H    SER  26           H        SER  26   3.107   7.663  -2.271
  211    HA   SER  26           HA       SER  26   2.628  10.409  -3.264
  212   1HB   SER  26          1HB       SER  26   4.156   8.533  -4.447
  213   2HB   SER  26          2HB       SER  26   2.599   8.132  -5.164
  214    HG   SER  26           HG       SER  26   3.041   9.749  -6.434
  215    H    SER  27           H        SER  27   1.314   7.165  -3.990
  216    HA   SER  27           HA       SER  27  -1.388   8.085  -3.365
  217   1HB   SER  27          1HB       SER  27  -0.399   8.131  -6.038
  218   2HB   SER  27          2HB       SER  27  -1.562   6.813  -5.927
  219    HG   SER  27           HG       SER  27  -2.811   8.546  -6.266
  220    H    TRP  28           H        TRP  28  -2.793   6.016  -4.572
  221    HA   TRP  28           HA       TRP  28  -1.570   3.472  -3.889
  222   1HB   TRP  28          1HB       TRP  28  -3.365   2.895  -2.240
  223   2HB   TRP  28          2HB       TRP  28  -2.269   4.150  -1.669
  224    HD1  TRP  28           HD1      TRP  28  -3.177   6.670  -1.641
  225    HE1  TRP  28           HE1      TRP  28  -5.573   7.618  -1.554
  226    HE3  TRP  28           HE3      TRP  28  -5.829   2.498  -2.953
  227    HZ2  TRP  28           HZ2      TRP  28  -8.257   6.721  -1.994
  228    HZ3  TRP  28           HZ3      TRP  28  -8.297   2.580  -3.115
  229    HH2  TRP  28           HH2      TRP  28  -9.514   4.683  -2.634
  230    H    TYR  29           H        TYR  29  -2.601   1.757  -4.862
  231    HA   TYR  29           HA       TYR  29  -5.067   2.429  -6.360
  232   1HB   TYR  29          1HB       TYR  29  -4.367   1.074  -8.210
  233   2HB   TYR  29          2HB       TYR  29  -3.050   2.176  -7.836
  234    HD1  TYR  29           HD1      TYR  29  -4.255  -1.317  -7.418
  235    HD2  TYR  29           HD2      TYR  29  -0.903   1.357  -7.177
  236    HE1  TYR  29           HE1      TYR  29  -2.728  -3.255  -7.174
  237    HE2  TYR  29           HE2      TYR  29   0.624  -0.583  -6.930
  238    HH   TYR  29           HH       TYR  29   0.681  -2.949  -7.426
  239    HA   PRO  30           HA       PRO  30  -6.764  -1.012  -4.175
  240   1HB   PRO  30          1HB       PRO  30  -9.039  -1.389  -5.643
  241   2HB   PRO  30          2HB       PRO  30  -8.808  -0.054  -4.504
  242   1HG   PRO  30          1HG       PRO  30  -8.793  -0.022  -7.464
  243   2HG   PRO  30          2HG       PRO  30  -9.184   1.274  -6.323
  244   1HD   PRO  30          1HD       PRO  30  -6.746   0.958  -7.742
  245   2HD   PRO  30          2HD       PRO  30  -7.053   2.090  -6.405
  246    H    THR  31           H        THR  31  -7.318  -3.242  -4.325
  247    HA   THR  31           HA       THR  31  -5.976  -4.632  -6.538
  248    HB   THR  31           HB       THR  31  -6.466  -6.662  -5.014
  249    HG1  THR  31           HG1      THR  31  -6.752  -4.628  -3.080
  250   1HG2  THR  31          1HG2      THR  31  -4.245  -5.574  -5.268
  251   2HG2  THR  31          2HG2      THR  31  -4.671  -4.459  -3.969
  252   3HG2  THR  31          3HG2      THR  31  -4.515  -6.183  -3.635
  253    H    SER  32           H        SER  32  -7.104  -6.932  -6.868
  254    HA   SER  32           HA       SER  32  -9.688  -6.340  -8.053
  255   1HB   SER  32          1HB       SER  32  -7.736  -7.893  -8.953
  256   2HB   SER  32          2HB       SER  32  -8.546  -9.106  -7.966
  257    HG   SER  32           HG       SER  32  -9.208  -8.521 -10.338
  258    H    GLN  33           H        GLN  33 -10.982  -8.802  -7.777
  259    HA   GLN  33           HA       GLN  33 -11.680  -8.733  -4.904
  260   1HB   GLN  33          1HB       GLN  33 -13.370  -8.236  -6.911
  261   2HB   GLN  33          2HB       GLN  33 -13.501  -9.995  -6.895
  262   1HG   GLN  33          1HG       GLN  33 -15.114  -9.485  -5.322
  263   2HG   GLN  33          2HG       GLN  33 -13.705  -9.592  -4.266
  264   2HE2  GLN  33          2HE2      GLN  33 -12.666  -7.520  -3.620
  265   1HE2  GLN  33          1HE2      GLN  33 -13.562  -6.079  -3.658
  266    H    LEU  34           H        LEU  34 -10.806 -10.796  -7.597
  267    HA   LEU  34           HA       LEU  34 -11.209 -13.243  -6.074
  268   1HB   LEU  34          1HB       LEU  34 -10.143 -12.650  -8.821
  269   2HB   LEU  34          2HB       LEU  34 -10.104 -14.256  -8.135
  270    HG   LEU  34           HG       LEU  34 -12.343 -14.600  -8.475
  271   1HD1  LEU  34          1HD1      LEU  34 -13.076 -12.795  -6.931
  272   2HD1  LEU  34          2HD1      LEU  34 -12.846 -11.614  -8.220
  273   3HD1  LEU  34          3HD1      LEU  34 -14.083 -12.862  -8.379
  274   1HD2  LEU  34          1HD2      LEU  34 -11.254 -13.841 -10.633
  275   2HD2  LEU  34          2HD2      LEU  34 -13.012 -13.689 -10.591
  276   3HD2  LEU  34          3HD2      LEU  34 -11.998 -12.264 -10.365
  277    H    CYS  35           H        CYS  35  -9.656 -11.994  -4.506
  278    HA   CYS  35           HA       CYS  35  -6.937 -13.060  -4.989
  279   1HB   CYS  35          1HB       CYS  35  -7.779 -10.396  -3.900
  280   2HB   CYS  35          2HB       CYS  35  -6.230 -11.099  -3.439
  281    H    SER  36           H        SER  36  -9.652 -13.391  -3.105
  282    HA   SER  36           HA       SER  36 -10.067 -14.531  -1.179
  283   1HB   SER  36          1HB       SER  36  -8.580 -16.128  -0.430
  284   2HB   SER  36          2HB       SER  36  -7.993 -15.873  -2.066
  285    HG   SER  36           HG       SER  36  -6.846 -15.271   0.366
  286    H    LYS  37           H        LYS  37  -6.921 -12.916  -0.641
  287    HA   LYS  37           HA       LYS  37  -8.191 -11.402   1.554
  288   1HB   LYS  37          1HB       LYS  37  -6.889 -13.283   2.510
  289   2HB   LYS  37          2HB       LYS  37  -5.455 -12.707   1.665
  290   1HG   LYS  37          1HG       LYS  37  -5.213 -10.860   3.042
  291   2HG   LYS  37          2HG       LYS  37  -6.935 -10.784   3.419
  292   1HD   LYS  37          1HD       LYS  37  -6.226 -11.680   5.407
  293   2HD   LYS  37          2HD       LYS  37  -6.358 -13.188   4.500
  294   1HE   LYS  37          1HE       LYS  37  -3.865 -12.462   3.772
  295   2HE   LYS  37          2HE       LYS  37  -3.930 -11.701   5.361
  296   1HZ   LYS  37          1HZ       LYS  37  -4.730 -14.516   4.922
  297   2HZ   LYS  37          2HZ       LYS  37  -3.129 -14.075   5.283
  298   3HZ   LYS  37          3HZ       LYS  37  -4.373 -13.744   6.390
  299    HA   PRO  38           HA       PRO  38  -5.580  -8.748  -1.285
  300   1HB   PRO  38          1HB       PRO  38  -7.571  -7.260  -2.406
  301   2HB   PRO  38          2HB       PRO  38  -6.990  -8.788  -3.078
  302   1HG   PRO  38          1HG       PRO  38  -9.512  -8.205  -1.641
  303   2HG   PRO  38          2HG       PRO  38  -9.163  -9.462  -2.834
  304   1HD   PRO  38          1HD       PRO  38  -9.307  -9.803  -0.020
  305   2HD   PRO  38          2HD       PRO  38  -8.698 -10.987  -1.201
  306    H    GLY  39           H        GLY  39  -6.097  -6.158  -1.625
  307   1HA   GLY  39          1HA       GLY  39  -5.587  -4.927   0.839
  308   2HA   GLY  39          2HA       GLY  39  -7.306  -4.730   0.494
  309    H    VAL  40           H        VAL  40  -4.348  -3.306   0.144
  310    HA   VAL  40           HA       VAL  40  -4.738  -2.206  -2.517
  311    HB   VAL  40           HB       VAL  40  -4.803  -0.316  -0.154
  312   1HG1  VAL  40          1HG1      VAL  40  -3.893   0.193  -2.622
  313   2HG1  VAL  40          2HG1      VAL  40  -5.616   0.422  -2.915
  314   3HG1  VAL  40          3HG1      VAL  40  -4.795   1.382  -1.685
  315   1HG2  VAL  40          1HG2      VAL  40  -7.018  -1.283  -1.981
  316   2HG2  VAL  40          2HG2      VAL  40  -6.921  -1.506  -0.234
  317   3HG2  VAL  40          3HG2      VAL  40  -7.158   0.108  -0.905
  318    H    ILE  41           H        ILE  41  -2.866  -1.599  -3.407
  319    HA   ILE  41           HA       ILE  41  -0.474  -1.755  -1.713
  320    HB   ILE  41           HB       ILE  41  -1.055  -2.318  -4.573
  321   1HG1  ILE  41          1HG1      ILE  41  -0.744  -4.053  -2.826
  322   2HG1  ILE  41          2HG1      ILE  41   0.436  -4.192  -4.125
  323   1HG2  ILE  41          1HG2      ILE  41   1.698  -1.393  -3.682
  324   2HG2  ILE  41          2HG2      ILE  41   1.316  -2.116  -5.245
  325   3HG2  ILE  41          3HG2      ILE  41   0.653  -0.541  -4.814
  326   1HD1  ILE  41          1HD1      ILE  41   1.433  -2.433  -2.060
  327   2HD1  ILE  41          2HD1      ILE  41   0.958  -3.982  -1.369
  328   3HD1  ILE  41          3HD1      ILE  41   2.136  -3.926  -2.678
  329    H    PHE  42           H        PHE  42   0.326   0.062  -0.989
  330    HA   PHE  42           HA       PHE  42  -0.403   2.611  -2.154
  331   1HB   PHE  42          1HB       PHE  42   0.980   1.672   0.300
  332   2HB   PHE  42          2HB       PHE  42   1.516   3.230  -0.325
  333    HD1  PHE  42           HD1      PHE  42  -1.387   1.327   0.958
  334    HD2  PHE  42           HD2      PHE  42   0.080   5.162  -0.298
  335    HE1  PHE  42           HE1      PHE  42  -3.398   2.411   1.922
  336    HE2  PHE  42           HE2      PHE  42  -1.931   6.247   0.663
  337    HZ   PHE  42           HZ       PHE  42  -3.668   4.872   1.778
  338    H    LEU  43           H        LEU  43   0.785   3.795  -3.521
  339    HA   LEU  43           HA       LEU  43   3.409   2.721  -4.341
  340   1HB   LEU  43          1HB       LEU  43   1.673   4.742  -5.756
  341   2HB   LEU  43          2HB       LEU  43   3.128   3.998  -6.381
  342    HG   LEU  43           HG       LEU  43   0.490   2.618  -5.839
  343   1HD1  LEU  43          1HD1      LEU  43   0.592   4.074  -7.861
  344   2HD1  LEU  43          2HD1      LEU  43   1.994   3.158  -8.417
  345   3HD1  LEU  43          3HD1      LEU  43   0.425   2.367  -8.271
  346   1HD2  LEU  43          1HD2      LEU  43   3.248   1.624  -6.340
  347   2HD2  LEU  43          2HD2      LEU  43   1.903   0.843  -5.508
  348   3HD2  LEU  43          3HD2      LEU  43   1.964   0.850  -7.270
  349    H    THR  44           H        THR  44   4.855   3.642  -2.927
  350    HA   THR  44           HA       THR  44   4.673   6.312  -1.974
  351    HB   THR  44           HB       THR  44   7.067   5.990  -1.350
  352    HG1  THR  44           HG1      THR  44   7.397   4.584  -3.295
  353   1HG2  THR  44          1HG2      THR  44   4.878   4.104  -0.687
  354   2HG2  THR  44          2HG2      THR  44   6.498   3.617  -0.192
  355   3HG2  THR  44          3HG2      THR  44   5.828   5.148   0.371
  356    H    LYS  45           H        LYS  45   6.367   8.001  -2.459
  357    HA   LYS  45           HA       LYS  45   6.216   8.792  -5.153
  358   1HB   LYS  45          1HB       LYS  45   7.801   9.702  -2.788
  359   2HB   LYS  45          2HB       LYS  45   8.257  10.292  -4.387
  360   1HG   LYS  45          1HG       LYS  45   6.320  11.496  -4.651
  361   2HG   LYS  45          2HG       LYS  45   5.357  10.347  -3.724
  362   1HD   LYS  45          1HD       LYS  45   5.453  11.822  -2.017
  363   2HD   LYS  45          2HD       LYS  45   7.146  11.366  -1.842
  364   1HE   LYS  45          1HE       LYS  45   7.230  13.713  -2.070
  365   2HE   LYS  45          2HE       LYS  45   7.596  13.129  -3.693
  366   1HZ   LYS  45          1HZ       LYS  45   4.876  13.879  -2.774
  367   2HZ   LYS  45          2HZ       LYS  45   5.911  14.923  -3.620
  368   3HZ   LYS  45          3HZ       LYS  45   5.354  13.498  -4.359
  369    H    ARG  46           H        ARG  46   9.028   7.576  -3.330
  370    HA   ARG  46           HA       ARG  46  10.130   6.555  -5.877
  371   1HB   ARG  46          1HB       ARG  46  11.270   8.661  -5.091
  372   2HB   ARG  46          2HB       ARG  46  11.784   7.759  -3.664
  373   1HG   ARG  46          1HG       ARG  46  13.144   6.305  -4.914
  374   2HG   ARG  46          2HG       ARG  46  12.314   6.681  -6.425
  375   1HD   ARG  46          1HD       ARG  46  13.440   8.681  -6.710
  376   2HD   ARG  46          2HD       ARG  46  13.696   8.904  -4.982
  377    HE   ARG  46           HE       ARG  46  15.698   7.763  -5.201
  378   1HH1  ARG  46          1HH1      ARG  46  13.651   7.029  -7.944
  379   2HH1  ARG  46          2HH1      ARG  46  14.879   6.126  -8.762
  380   1HH2  ARG  46          1HH2      ARG  46  17.269   6.578  -6.302
  381   2HH2  ARG  46          2HH2      ARG  46  16.910   5.872  -7.843
  382    H    GLY  47           H        GLY  47   8.986   5.668  -2.901
  383   1HA   GLY  47          1HA       GLY  47   9.396   3.934  -1.441
  384   2HA   GLY  47          2HA       GLY  47  11.016   3.800  -2.115
  385    H    ARG  48           H        ARG  48   8.052   2.328  -1.835
  386    HA   ARG  48           HA       ARG  48   8.119   0.871  -4.359
  387   1HB   ARG  48          1HB       ARG  48   9.273  -0.186  -1.865
  388   2HB   ARG  48          2HB       ARG  48   8.119  -1.271  -2.631
  389   1HG   ARG  48          1HG       ARG  48   9.349  -1.171  -4.732
  390   2HG   ARG  48          2HG       ARG  48  10.451   0.034  -4.064
  391   1HD   ARG  48          1HD       ARG  48  11.723  -1.833  -3.662
  392   2HD   ARG  48          2HD       ARG  48  10.751  -1.863  -2.195
  393    HE   ARG  48           HE       ARG  48   9.541  -3.313  -4.374
  394   1HH1  ARG  48          1HH1      ARG  48  11.861  -3.491  -1.760
  395   2HH1  ARG  48          2HH1      ARG  48  11.744  -5.212  -1.623
  396   1HH2  ARG  48          1HH2      ARG  48   9.418  -5.555  -4.161
  397   2HH2  ARG  48          2HH2      ARG  48  10.372  -6.372  -2.969
  398    H    GLN  49           H        GLN  49   6.574  -1.262  -3.792
  399    HA   GLN  49           HA       GLN  49   3.980  -0.073  -3.295
  400   1HB   GLN  49          1HB       GLN  49   4.960  -2.781  -4.163
  401   2HB   GLN  49          2HB       GLN  49   3.290  -2.560  -3.653
  402   1HG   GLN  49          1HG       GLN  49   3.174  -2.170  -5.965
  403   2HG   GLN  49          2HG       GLN  49   3.311  -0.540  -5.307
  404   2HE2  GLN  49          2HE2      GLN  49   5.455   0.519  -5.440
  405   1HE2  GLN  49          1HE2      GLN  49   6.601  -0.016  -6.572
  406    H    VAL  50           H        VAL  50   2.503  -0.799  -1.666
  407    HA   VAL  50           HA       VAL  50   3.674  -2.357   0.553
  408    HB   VAL  50           HB       VAL  50   2.284   0.294   0.918
  409   1HG1  VAL  50          1HG1      VAL  50   3.331  -1.827   2.757
  410   2HG1  VAL  50          2HG1      VAL  50   3.479  -0.145   3.261
  411   3HG1  VAL  50          3HG1      VAL  50   1.889  -0.824   2.913
  412   1HG2  VAL  50          1HG2      VAL  50   5.212  -0.471   1.119
  413   2HG2  VAL  50          2HG2      VAL  50   4.496   0.652  -0.037
  414   3HG2  VAL  50          3HG2      VAL  50   4.547   1.065   1.677
  415    H    CYS  51           H        CYS  51   2.294  -3.955   1.004
  416    HA   CYS  51           HA       CYS  51  -0.457  -3.922   0.191
  417   1HB   CYS  51          1HB       CYS  51   1.124  -5.760   2.000
  418   2HB   CYS  51          2HB       CYS  51  -0.591  -5.994   1.668
  419    H    ALA  52           H        ALA  52  -1.555  -2.228   1.118
  420    HA   ALA  52           HA       ALA  52  -1.466  -1.982   4.053
  421   1HB   ALA  52          1HB       ALA  52  -1.102   0.009   2.432
  422   2HB   ALA  52          2HB       ALA  52  -2.161   0.235   3.823
  423   3HB   ALA  52          3HB       ALA  52  -2.853  -0.047   2.225
  424    H    ASP  53           H        ASP  53  -3.155  -2.391   5.308
  425    HA   ASP  53           HA       ASP  53  -5.644  -3.318   4.023
  426   1HB   ASP  53          1HB       ASP  53  -4.197  -4.046   6.520
  427   2HB   ASP  53          2HB       ASP  53  -5.959  -4.067   6.588
  428    H    LYS  54           H        LYS  54  -7.419  -2.108   4.186
  429    HA   LYS  54           HA       LYS  54  -7.445   0.460   5.297
  430   1HB   LYS  54          1HB       LYS  54  -9.045  -0.412   3.567
  431   2HB   LYS  54          2HB       LYS  54  -9.877  -1.286   4.853
  432   1HG   LYS  54          1HG       LYS  54 -11.015   0.832   4.501
  433   2HG   LYS  54          2HG       LYS  54 -10.185   0.894   6.056
  434   1HD   LYS  54          1HD       LYS  54  -8.622   2.417   5.319
  435   2HD   LYS  54          2HD       LYS  54  -8.667   1.818   3.661
  436   1HE   LYS  54          1HE       LYS  54 -10.868   3.426   4.991
  437   2HE   LYS  54          2HE       LYS  54  -9.687   4.073   3.851
  438   1HZ   LYS  54          1HZ       LYS  54 -10.538   2.133   2.373
  439   2HZ   LYS  54          2HZ       LYS  54 -11.911   2.216   3.371
  440   3HZ   LYS  54          3HZ       LYS  54 -11.427   3.573   2.473
  441    H    SER  55           H        SER  55  -7.959  -2.624   6.809
  442    HA   SER  55           HA       SER  55  -9.556  -1.923   8.994
  443   1HB   SER  55          1HB       SER  55  -7.622  -4.067   8.391
  444   2HB   SER  55          2HB       SER  55  -7.890  -3.759  10.103
  445    HG   SER  55           HG       SER  55  -9.878  -4.461   9.915
  446    H    LYS  56           H        LYS  56  -6.167  -1.339   8.359
  447    HA   LYS  56           HA       LYS  56  -5.358  -0.682  10.996
  448   1HB   LYS  56          1HB       LYS  56  -4.296  -0.031   8.260
  449   2HB   LYS  56          2HB       LYS  56  -3.592   0.715   9.695
  450   1HG   LYS  56          1HG       LYS  56  -2.346  -1.309   9.190
  451   2HG   LYS  56          2HG       LYS  56  -3.279  -1.578  10.663
  452   1HD   LYS  56          1HD       LYS  56  -4.949  -2.831   9.480
  453   2HD   LYS  56          2HD       LYS  56  -4.278  -2.365   7.916
  454   1HE   LYS  56          1HE       LYS  56  -3.518  -4.602   8.346
  455   2HE   LYS  56          2HE       LYS  56  -2.135  -3.540   8.613
  456   1HZ   LYS  56          1HZ       LYS  56  -3.948  -4.534  10.745
  457   2HZ   LYS  56          2HZ       LYS  56  -2.424  -5.188  10.388
  458   3HZ   LYS  56          3HZ       LYS  56  -2.549  -3.596  10.966
  459    H    ASP  57           H        ASP  57  -4.388   1.725  11.222
  460    HA   ASP  57           HA       ASP  57  -6.715   3.517  10.864
  461   1HB   ASP  57          1HB       ASP  57  -5.856   2.918  13.225
  462   2HB   ASP  57          2HB       ASP  57  -4.490   3.967  12.842
  463    H    TRP  58           H        TRP  58  -3.210   3.257  10.583
  464    HA   TRP  58           HA       TRP  58  -2.866   5.959   9.678
  465   1HB   TRP  58          1HB       TRP  58  -0.570   5.250   9.079
  466   2HB   TRP  58          2HB       TRP  58  -0.993   4.849  10.739
  467    HD1  TRP  58           HD1      TRP  58  -1.339   2.290  11.348
  468    HE1  TRP  58           HE1      TRP  58  -0.574   0.128  10.176
  469    HE3  TRP  58           HE3      TRP  58  -0.175   4.149   6.742
  470    HZ2  TRP  58           HZ2      TRP  58   0.410  -0.708   7.610
  471    HZ3  TRP  58           HZ3      TRP  58   0.679   2.659   4.960
  472    HH2  TRP  58           HH2      TRP  58   0.968   0.237   5.386
  473    H    VAL  59           H        VAL  59  -3.624   2.918   8.166
  474    HA   VAL  59           HA       VAL  59  -2.907   3.692   5.498
  475    HB   VAL  59           HB       VAL  59  -4.918   1.599   6.359
  476   1HG1  VAL  59          1HG1      VAL  59  -4.973   2.238   3.964
  477   2HG1  VAL  59          2HG1      VAL  59  -3.244   1.914   3.847
  478   3HG1  VAL  59          3HG1      VAL  59  -4.367   0.596   4.178
  479   1HG2  VAL  59          1HG2      VAL  59  -2.725   1.256   7.446
  480   2HG2  VAL  59          2HG2      VAL  59  -3.022   0.025   6.219
  481   3HG2  VAL  59          3HG2      VAL  59  -1.931   1.368   5.876
  482    H    LYS  60           H        LYS  60  -5.764   3.914   7.518
  483    HA   LYS  60           HA       LYS  60  -7.604   4.686   5.497
  484   1HB   LYS  60          1HB       LYS  60  -8.086   3.919   7.919
  485   2HB   LYS  60          2HB       LYS  60  -7.773   5.597   8.363
  486   1HG   LYS  60          1HG       LYS  60  -9.547   6.389   6.946
  487   2HG   LYS  60          2HG       LYS  60  -9.749   4.797   6.213
  488   1HD   LYS  60          1HD       LYS  60 -10.683   3.879   8.182
  489   2HD   LYS  60          2HD       LYS  60 -10.100   5.211   9.180
  490   1HE   LYS  60          1HE       LYS  60 -12.339   5.796   8.927
  491   2HE   LYS  60          2HE       LYS  60 -11.608   6.670   7.582
  492   1HZ   LYS  60          1HZ       LYS  60 -12.066   4.511   6.291
  493   2HZ   LYS  60          2HZ       LYS  60 -13.162   4.168   7.538
  494   3HZ   LYS  60          3HZ       LYS  60 -13.360   5.567   6.596
  495    H    LYS  61           H        LYS  61  -5.482   6.494   7.678
  496    HA   LYS  61           HA       LYS  61  -6.364   9.089   7.008
  497   1HB   LYS  61          1HB       LYS  61  -3.766   8.012   8.084
  498   2HB   LYS  61          2HB       LYS  61  -3.958   9.725   7.710
  499   1HG   LYS  61          1HG       LYS  61  -6.047   9.692   9.155
  500   2HG   LYS  61          2HG       LYS  61  -5.563   8.078   9.678
  501   1HD   LYS  61          1HD       LYS  61  -4.606   9.439  11.327
  502   2HD   LYS  61          2HD       LYS  61  -3.266   9.213  10.203
  503   1HE   LYS  61          1HE       LYS  61  -3.256  11.534  10.539
  504   2HE   LYS  61          2HE       LYS  61  -4.190  11.369   9.053
  505   1HZ   LYS  61          1HZ       LYS  61  -5.562  11.312  11.654
  506   2HZ   LYS  61          2HZ       LYS  61  -5.104  12.801  10.983
  507   3HZ   LYS  61          3HZ       LYS  61  -6.160  11.776  10.133
  508    H    LEU  62           H        LEU  62  -3.809   7.046   5.627
  509    HA   LEU  62           HA       LEU  62  -2.794   8.908   3.768
  510   1HB   LEU  62          1HB       LEU  62  -2.988   5.911   3.511
  511   2HB   LEU  62          2HB       LEU  62  -1.997   6.952   2.515
  512    HG   LEU  62           HG       LEU  62  -1.624   6.837   5.499
  513   1HD1  LEU  62          1HD1      LEU  62  -0.886   4.859   3.396
  514   2HD1  LEU  62          2HD1      LEU  62   0.349   5.250   4.593
  515   3HD1  LEU  62          3HD1      LEU  62  -1.208   4.610   5.111
  516   1HD2  LEU  62          1HD2      LEU  62  -0.188   7.899   3.109
  517   2HD2  LEU  62          2HD2      LEU  62  -0.305   8.568   4.737
  518   3HD2  LEU  62          3HD2      LEU  62   0.804   7.237   4.409
  519    H    MET  63           H        MET  63  -5.329   6.466   3.507
  520    HA   MET  63           HA       MET  63  -6.023   6.683   0.834
  521   1HB   MET  63          1HB       MET  63  -7.685   6.146   3.288
  522   2HB   MET  63          2HB       MET  63  -8.400   6.162   1.676
  523   1HG   MET  63          1HG       MET  63  -6.275   4.591   1.172
  524   2HG   MET  63          2HG       MET  63  -6.484   4.226   2.883
  525   1HE   MET  63          1HE       MET  63  -6.948   3.469  -0.338
  526   2HE   MET  63          2HE       MET  63  -7.145   1.856   0.338
  527   3HE   MET  63          3HE       MET  63  -8.443   2.567  -0.617
  528    H    GLN  64           H        GLN  64  -6.911   8.772   3.526
  529    HA   GLN  64           HA       GLN  64  -8.649  10.421   1.877
  530   1HB   GLN  64          1HB       GLN  64  -8.867   9.943   4.435
  531   2HB   GLN  64          2HB       GLN  64  -7.656  11.216   4.599
  532   1HG   GLN  64          1HG       GLN  64  -9.094  12.754   3.312
  533   2HG   GLN  64          2HG       GLN  64 -10.310  11.484   3.154
  534   2HE2  GLN  64          2HE2      GLN  64  -8.339  12.742   5.915
  535   1HE2  GLN  64          1HE2      GLN  64  -9.665  12.927   6.957
  536    H    GLN  65           H        GLN  65  -5.367  10.442   3.096
  537    HA   GLN  65           HA       GLN  65  -4.803  13.179   2.503
  538   1HB   GLN  65          1HB       GLN  65  -3.182  10.767   3.201
  539   2HB   GLN  65          2HB       GLN  65  -2.362  12.172   2.523
  540   1HG   GLN  65          1HG       GLN  65  -3.942  13.394   4.359
  541   2HG   GLN  65          2HG       GLN  65  -3.688  11.843   5.158
  542   2HE2  GLN  65          2HE2      GLN  65  -1.453  11.237   5.698
  543   1HE2  GLN  65          1HE2      GLN  65  -0.226  12.410   5.753
  544    H    LEU  66           H        LEU  66  -4.508  10.144   0.740
  545    HA   LEU  66           HA       LEU  66  -3.581  11.659  -1.629
  546   1HB   LEU  66          1HB       LEU  66  -3.379   8.683  -1.299
  547   2HB   LEU  66          2HB       LEU  66  -2.521   9.714  -2.423
  548    HG   LEU  66           HG       LEU  66  -2.086   9.787   0.568
  549   1HD1  LEU  66          1HD1      LEU  66  -1.537   7.588  -0.767
  550   2HD1  LEU  66          2HD1      LEU  66  -0.187   8.534  -1.392
  551   3HD1  LEU  66          3HD1      LEU  66  -0.340   8.255   0.342
  552   1HD2  LEU  66          1HD2      LEU  66  -0.968  11.172  -1.819
  553   2HD2  LEU  66          2HD2      LEU  66  -1.146  11.753  -0.162
  554   3HD2  LEU  66          3HD2      LEU  66   0.189  10.680  -0.583
  555    HA   PRO  67           HA       PRO  67  -7.422  10.534  -3.485
  556   1HB   PRO  67          1HB       PRO  67  -6.761  10.704  -6.138
  557   2HB   PRO  67          2HB       PRO  67  -7.014  12.110  -5.091
  558   1HG   PRO  67          1HG       PRO  67  -4.482  10.970  -6.134
  559   2HG   PRO  67          2HG       PRO  67  -4.865  12.636  -5.678
  560   1HD   PRO  67          1HD       PRO  67  -3.399  10.788  -4.124
  561   2HD   PRO  67          2HD       PRO  67  -4.077  12.330  -3.554
  562    H    VAL  68           H        VAL  68  -5.339   9.169  -6.019
  563    HA   VAL  68           HA       VAL  68  -5.223   6.526  -5.195
  564    HB   VAL  68           HB       VAL  68  -7.879   7.113  -5.631
  565   1HG1  VAL  68          1HG1      VAL  68  -7.444   7.332  -8.108
  566   2HG1  VAL  68          2HG1      VAL  68  -7.003   5.625  -8.116
  567   3HG1  VAL  68          3HG1      VAL  68  -8.641   6.110  -7.675
  568   1HG2  VAL  68          1HG2      VAL  68  -6.877   5.152  -4.485
  569   2HG2  VAL  68          2HG2      VAL  68  -8.216   4.707  -5.542
  570   3HG2  VAL  68          3HG2      VAL  68  -6.553   4.427  -6.059
  571    H    THR  69           H        THR  69  -4.925   5.001  -7.166
  572    HA   THR  69           HA       THR  69  -4.034   6.375  -9.579
  573    HB   THR  69           HB       THR  69  -2.041   6.544  -8.186
  574    HG1  THR  69           HG1      THR  69  -0.699   5.638  -9.634
  575   1HG2  THR  69          1HG2      THR  69  -2.926   4.053  -7.170
  576   2HG2  THR  69          2HG2      THR  69  -1.376   3.748  -7.954
  577   3HG2  THR  69          3HG2      THR  69  -1.497   4.963  -6.682
  578    H    ALA  70           H        ALA  70  -3.392   4.855 -11.277
  579    HA   ALA  70           HA       ALA  70  -3.864   2.043 -10.964
  580   1HB   ALA  70          1HB       ALA  70  -5.919   1.773 -12.037
  581   2HB   ALA  70          2HB       ALA  70  -6.208   3.193 -11.032
  582   3HB   ALA  70          3HB       ALA  70  -5.869   3.385 -12.752
  583    H    ARG  71           H        ARG  71  -1.843   3.832 -12.018
  584    HA   ARG  71           HA       ARG  71  -1.674   2.711 -14.737
  585   1HB   ARG  71          1HB       ARG  71  -1.220   5.605 -13.983
  586   2HB   ARG  71          2HB       ARG  71  -0.661   4.894 -15.497
  587   1HG   ARG  71          1HG       ARG  71  -2.952   4.295 -16.103
  588   2HG   ARG  71          2HG       ARG  71  -3.544   4.902 -14.556
  589   1HD   ARG  71          1HD       ARG  71  -2.694   7.159 -15.144
  590   2HD   ARG  71          2HD       ARG  71  -2.181   6.541 -16.710
  591    HE   ARG  71           HE       ARG  71  -4.388   6.642 -17.412
  592   1HH1  ARG  71          1HH1      ARG  71  -4.266   6.819 -13.919
  593   2HH1  ARG  71          2HH1      ARG  71  -5.955   7.162 -13.764
  594   1HH2  ARG  71          1HH2      ARG  71  -6.585   7.091 -17.165
  595   2HH2  ARG  71          2HH2      ARG  71  -7.258   7.315 -15.586

  No H/Q in entry =         595
  Start of MODEL   19
    1    H1   LEU   1           H1       LEU   1  18.979  -4.101   8.025
    2    H2   LEU   1           H2       LEU   1  18.757  -2.732   7.045
    3    H3   LEU   1           H3       LEU   1  18.017  -2.811   8.568
    4    HA   LEU   1           HA       LEU   1  16.521  -4.482   7.888
    5   1HB   LEU   1          1HB       LEU   1  16.900  -2.130   6.085
    6   2HB   LEU   1          2HB       LEU   1  15.744  -3.366   5.585
    7    HG   LEU   1           HG       LEU   1  15.719  -2.158   8.357
    8   1HD1  LEU   1          1HD1      LEU   1  14.454  -1.206   5.793
    9   2HD1  LEU   1          2HD1      LEU   1  13.687  -0.885   7.349
   10   3HD1  LEU   1          3HD1      LEU   1  15.304  -0.264   7.018
   11   1HD2  LEU   1          1HD2      LEU   1  13.934  -3.930   6.711
   12   2HD2  LEU   1          2HD2      LEU   1  14.436  -4.112   8.392
   13   3HD2  LEU   1          3HD2      LEU   1  13.225  -2.906   7.959
   14    H    GLY   2           H        GLY   2  15.877  -6.091   6.398
   15   1HA   GLY   2          1HA       GLY   2  16.373  -7.947   5.105
   16   2HA   GLY   2          2HA       GLY   2  18.055  -7.422   5.080
   17    H    ALA   3           H        ALA   3  16.990  -8.488   2.816
   18    HA   ALA   3           HA       ALA   3  15.976  -6.409   1.070
   19   1HB   ALA   3          1HB       ALA   3  18.746  -7.525   0.570
   20   2HB   ALA   3          2HB       ALA   3  18.413  -5.898   1.162
   21   3HB   ALA   3          3HB       ALA   3  17.874  -6.378  -0.447
   22    H    SER   4           H        SER   4  14.320  -7.825   0.584
   23    HA   SER   4           HA       SER   4  15.017 -10.447  -0.546
   24   1HB   SER   4          1HB       SER   4  12.342  -9.239   0.189
   25   2HB   SER   4          2HB       SER   4  12.561 -10.846  -0.497
   26    HG   SER   4           HG       SER   4  13.787  -9.909   1.888
   27    H    TRP   5           H        TRP   5  13.637  -7.337  -1.394
   28    HA   TRP   5           HA       TRP   5  13.146  -6.369  -3.421
   29   1HB   TRP   5          1HB       TRP   5  15.158  -8.458  -4.153
   30   2HB   TRP   5          2HB       TRP   5  14.279  -7.642  -5.446
   31    HD1  TRP   5           HD1      TRP   5  16.553  -6.861  -2.444
   32    HE1  TRP   5           HE1      TRP   5  17.708  -4.595  -2.867
   33    HE3  TRP   5           HE3      TRP   5  14.213  -5.470  -6.764
   34    HZ2  TRP   5           HZ2      TRP   5  17.647  -2.473  -4.785
   35    HZ3  TRP   5           HZ3      TRP   5  14.779  -3.324  -7.866
   36    HH2  TRP   5           HH2      TRP   5  16.492  -1.825  -6.883
   37    H    HIS   6           H        HIS   6  12.068  -6.784  -5.562
   38    HA   HIS   6           HA       HIS   6  10.287  -7.629  -6.746
   39   1HB   HIS   6          1HB       HIS   6  11.248 -10.232  -5.531
   40   2HB   HIS   6          2HB       HIS   6  10.040 -10.104  -6.811
   41    HD1  HIS   6           HD1      HIS   6  11.732 -11.404  -8.395
   42    HD2  HIS   6           HD2      HIS   6  13.048  -7.659  -7.123
   43    HE1  HIS   6           HE1      HIS   6  13.678 -10.781  -9.893
   44    H    ARG   7           H        ARG   7   8.827  -6.440  -5.419
   45    HA   ARG   7           HA       ARG   7   7.536  -7.894  -3.222
   46   1HB   ARG   7          1HB       ARG   7   7.606  -5.050  -4.127
   47   2HB   ARG   7          2HB       ARG   7   6.179  -5.607  -3.252
   48   1HG   ARG   7          1HG       ARG   7   7.722  -4.775  -1.606
   49   2HG   ARG   7          2HG       ARG   7   7.747  -6.535  -1.490
   50   1HD   ARG   7          1HD       ARG   7   9.765  -6.604  -2.901
   51   2HD   ARG   7          2HD       ARG   7   9.741  -4.848  -3.028
   52    HE   ARG   7           HE       ARG   7  10.672  -4.738  -0.908
   53   1HH1  ARG   7          1HH1      ARG   7   9.336  -7.931  -1.427
   54   2HH1  ARG   7          2HH1      ARG   7   9.987  -8.566   0.043
   55   1HH2  ARG   7          1HH2      ARG   7  11.503  -5.607   1.000
   56   2HH2  ARG   7          2HH2      ARG   7  11.203  -7.263   1.407
   57    HA   PRO   8           HA       PRO   8   4.101  -8.982  -5.795
   58   1HB   PRO   8          1HB       PRO   8   2.229  -9.472  -3.867
   59   2HB   PRO   8          2HB       PRO   8   3.590 -10.550  -4.211
   60   1HG   PRO   8          1HG       PRO   8   3.168  -8.736  -1.915
   61   2HG   PRO   8          2HG       PRO   8   4.152 -10.203  -2.028
   62   1HD   PRO   8          1HD       PRO   8   5.085  -7.513  -2.132
   63   2HD   PRO   8          2HD       PRO   8   6.033  -8.984  -2.453
   64    H    ASP   9           H        ASP   9   2.892  -7.644  -7.004
   65    HA   ASP   9           HA       ASP   9   1.745  -5.225  -5.826
   66   1HB   ASP   9          1HB       ASP   9   1.706  -6.139  -8.712
   67   2HB   ASP   9          2HB       ASP   9   1.317  -4.529  -8.107
   68    H    LYS  10           H        LYS  10   0.760  -8.254  -7.305
   69    HA   LYS  10           HA       LYS  10  -2.027  -7.624  -7.469
   70   1HB   LYS  10          1HB       LYS  10  -0.740 -10.364  -7.333
   71   2HB   LYS  10          2HB       LYS  10  -2.345  -9.978  -7.956
   72   1HG   LYS  10          1HG       LYS  10   0.244  -8.902  -9.111
   73   2HG   LYS  10          2HG       LYS  10  -0.656 -10.266  -9.772
   74   1HD   LYS  10          1HD       LYS  10  -2.662  -8.735  -9.959
   75   2HD   LYS  10          2HD       LYS  10  -1.595  -7.395  -9.536
   76   1HE   LYS  10          1HE       LYS  10  -0.103  -8.377 -11.485
   77   2HE   LYS  10          2HE       LYS  10  -1.631  -9.077 -12.019
   78   1HZ   LYS  10          1HZ       LYS  10  -2.587  -6.794 -11.812
   79   2HZ   LYS  10          2HZ       LYS  10  -1.007  -6.212 -11.582
   80   3HZ   LYS  10          3HZ       LYS  10  -1.432  -6.971 -13.042
   81    H    CYS  11           H        CYS  11  -3.315  -9.764  -6.271
   82    HA   CYS  11           HA       CYS  11  -3.774  -8.863  -3.672
   83   1HB   CYS  11          1HB       CYS  11  -4.220 -11.673  -4.704
   84   2HB   CYS  11          2HB       CYS  11  -5.019 -10.923  -3.324
   85    H    CYS  12           H        CYS  12  -2.675  -9.031  -1.850
   86    HA   CYS  12           HA       CYS  12  -0.612 -11.143  -1.626
   87   1HB   CYS  12          1HB       CYS  12   0.555  -9.582  -0.059
   88   2HB   CYS  12          2HB       CYS  12   0.442  -8.963  -1.706
   89    H    LEU  13           H        LEU  13  -0.119 -11.780   0.637
   90    HA   LEU  13           HA       LEU  13  -2.634 -12.061   2.146
   91   1HB   LEU  13          1HB       LEU  13  -0.060 -13.617   2.151
   92   2HB   LEU  13          2HB       LEU  13  -1.276 -13.820   3.393
   93    HG   LEU  13           HG       LEU  13  -2.906 -14.457   1.591
   94   1HD1  LEU  13          1HD1      LEU  13  -0.459 -13.933  -0.043
   95   2HD1  LEU  13          2HD1      LEU  13  -1.498 -15.274  -0.527
   96   3HD1  LEU  13          3HD1      LEU  13  -2.153 -13.638  -0.435
   97   1HD2  LEU  13          1HD2      LEU  13  -0.353 -16.088   1.797
   98   2HD2  LEU  13          2HD2      LEU  13  -1.719 -16.162   2.909
   99   3HD2  LEU  13          3HD2      LEU  13  -1.909 -16.704   1.242
  100    H    GLY  14           H        GLY  14   0.700 -10.984   2.412
  101   1HA   GLY  14          1HA       GLY  14   1.843 -10.173   4.320
  102   2HA   GLY  14          2HA       GLY  14   0.333 -10.242   5.226
  103    H    TYR  15           H        TYR  15   1.356  -8.027   5.789
  104    HA   TYR  15           HA       TYR  15   0.778  -5.969   3.783
  105   1HB   TYR  15          1HB       TYR  15  -0.599  -6.140   6.472
  106   2HB   TYR  15          2HB       TYR  15  -0.574  -4.687   5.472
  107    HD1  TYR  15           HD1      TYR  15  -1.717  -8.208   5.652
  108    HD2  TYR  15           HD2      TYR  15  -1.897  -4.514   3.469
  109    HE1  TYR  15           HE1      TYR  15  -3.609  -9.091   4.313
  110    HE2  TYR  15           HE2      TYR  15  -3.787  -5.396   2.130
  111    HH   TYR  15           HH       TYR  15  -5.656  -7.786   2.942
  112    H    GLN  16           H        GLN  16   1.137  -3.720   4.995
  113    HA   GLN  16           HA       GLN  16   3.882  -3.591   5.617
  114   1HB   GLN  16          1HB       GLN  16   2.537  -1.673   4.742
  115   2HB   GLN  16          2HB       GLN  16   1.753  -1.555   6.312
  116   1HG   GLN  16          1HG       GLN  16   3.607   0.054   6.146
  117   2HG   GLN  16          2HG       GLN  16   3.946  -1.158   7.380
  118   2HE2  GLN  16          2HE2      GLN  16   6.282  -0.454   6.922
  119   1HE2  GLN  16          1HE2      GLN  16   7.094  -1.214   5.642
  120    H    LYS  17           H        LYS  17   1.021  -3.343   7.699
  121    HA   LYS  17           HA       LYS  17   0.740  -3.649   9.960
  122   1HB   LYS  17          1HB       LYS  17   2.080  -5.804   9.255
  123   2HB   LYS  17          2HB       LYS  17   3.383  -5.038  10.164
  124   1HG   LYS  17          1HG       LYS  17   1.640  -4.719  12.040
  125   2HG   LYS  17          2HG       LYS  17   0.664  -5.892  11.155
  126   1HD   LYS  17          1HD       LYS  17   2.410  -7.562  11.319
  127   2HD   LYS  17          2HD       LYS  17   3.523  -6.390  12.026
  128   1HE   LYS  17          1HE       LYS  17   2.502  -6.455  14.085
  129   2HE   LYS  17          2HE       LYS  17   0.906  -6.763  13.401
  130   1HZ   LYS  17          1HZ       LYS  17   3.126  -8.732  13.524
  131   2HZ   LYS  17          2HZ       LYS  17   1.787  -8.696  14.571
  132   3HZ   LYS  17          3HZ       LYS  17   1.568  -9.022  12.918
  133    H    ARG  18           H        ARG  18   2.554  -1.444   8.770
  134    HA   ARG  18           HA       ARG  18   3.419  -0.408  11.347
  135   1HB   ARG  18          1HB       ARG  18   5.312  -0.861   9.032
  136   2HB   ARG  18          2HB       ARG  18   5.655   0.253  10.354
  137   1HG   ARG  18          1HG       ARG  18   5.037  -2.694  10.709
  138   2HG   ARG  18          2HG       ARG  18   6.658  -2.003  10.716
  139   1HD   ARG  18          1HD       ARG  18   5.748  -0.432  12.567
  140   2HD   ARG  18          2HD       ARG  18   4.434  -1.594  12.706
  141    HE   ARG  18           HE       ARG  18   6.825  -3.041  12.807
  142   1HH1  ARG  18          1HH1      ARG  18   5.175  -0.587  14.680
  143   2HH1  ARG  18          2HH1      ARG  18   5.871  -1.100  16.178
  144   1HH2  ARG  18          1HH2      ARG  18   7.710  -3.678  14.782
  145   2HH2  ARG  18          2HH2      ARG  18   7.294  -2.835  16.237
  146    HA   PRO  19           HA       PRO  19   1.913   3.156   9.128
  147   1HB   PRO  19          1HB       PRO  19   2.317   5.027  11.073
  148   2HB   PRO  19          2HB       PRO  19   0.997   3.848  11.096
  149   1HG   PRO  19          1HG       PRO  19   3.434   3.954  12.749
  150   2HG   PRO  19          2HG       PRO  19   1.897   3.138  13.060
  151   1HD   PRO  19          1HD       PRO  19   4.337   1.950  12.130
  152   2HD   PRO  19          2HD       PRO  19   2.760   1.156  12.352
  153    H    LEU  20           H        LEU  20   2.928   4.170   7.528
  154    HA   LEU  20           HA       LEU  20   5.660   5.205   7.981
  155   1HB   LEU  20          1HB       LEU  20   4.650   5.173   5.220
  156   2HB   LEU  20          2HB       LEU  20   6.202   4.678   5.855
  157    HG   LEU  20           HG       LEU  20   3.659   3.036   5.817
  158   1HD1  LEU  20          1HD1      LEU  20   6.237   3.029   4.252
  159   2HD1  LEU  20          2HD1      LEU  20   5.263   1.566   4.404
  160   3HD1  LEU  20          3HD1      LEU  20   4.581   3.005   3.646
  161   1HD2  LEU  20          1HD2      LEU  20   5.441   2.845   7.790
  162   2HD2  LEU  20          2HD2      LEU  20   4.728   1.406   7.066
  163   3HD2  LEU  20          3HD2      LEU  20   6.335   1.934   6.574
  164    HA   PRO  21           HA       PRO  21   4.126   9.310   7.378
  165   1HB   PRO  21          1HB       PRO  21   6.319  10.565   6.330
  166   2HB   PRO  21          2HB       PRO  21   6.195  10.050   8.021
  167   1HG   PRO  21          1HG       PRO  21   7.787   8.880   5.821
  168   2HG   PRO  21          2HG       PRO  21   8.051   8.803   7.569
  169   1HD   PRO  21          1HD       PRO  21   6.936   6.761   5.919
  170   2HD   PRO  21          2HD       PRO  21   7.024   6.769   7.696
  171    H    GLN  22           H        GLN  22   2.958  10.436   5.895
  172    HA   GLN  22           HA       GLN  22   2.761   9.501   3.203
  173   1HB   GLN  22          1HB       GLN  22   0.870  10.499   4.506
  174   2HB   GLN  22          2HB       GLN  22   1.656  12.070   4.356
  175   1HG   GLN  22          1HG       GLN  22   1.345  10.567   1.821
  176   2HG   GLN  22          2HG       GLN  22  -0.158  11.115   2.562
  177   2HE2  GLN  22          2HE2      GLN  22  -0.289  12.637   0.653
  178   1HE2  GLN  22          1HE2      GLN  22   0.588  14.089   0.707
  179    H    VAL  23           H        VAL  23   4.962  11.623   4.677
  180    HA   VAL  23           HA       VAL  23   5.343  13.669   2.875
  181    HB   VAL  23           HB       VAL  23   6.516  13.463   5.040
  182   1HG1  VAL  23          1HG1      VAL  23   7.047  10.959   4.554
  183   2HG1  VAL  23          2HG1      VAL  23   8.460  11.587   3.711
  184   3HG1  VAL  23          3HG1      VAL  23   8.238  11.918   5.429
  185   1HG2  VAL  23          1HG2      VAL  23   7.380  14.775   2.918
  186   2HG2  VAL  23          2HG2      VAL  23   8.391  14.643   4.357
  187   3HG2  VAL  23          3HG2      VAL  23   8.681  13.586   2.975
  188    H    LEU  24           H        LEU  24   6.643  10.387   2.722
  189    HA   LEU  24           HA       LEU  24   7.866  10.955   0.126
  190   1HB   LEU  24          1HB       LEU  24   9.257   9.233   0.536
  191   2HB   LEU  24          2HB       LEU  24   8.736   9.439   2.188
  192    HG   LEU  24           HG       LEU  24   7.579   7.420   0.243
  193   1HD1  LEU  24          1HD1      LEU  24  10.010   7.137   1.036
  194   2HD1  LEU  24          2HD1      LEU  24   9.319   6.844   2.633
  195   3HD1  LEU  24          3HD1      LEU  24   8.912   5.779   1.288
  196   1HD2  LEU  24          1HD2      LEU  24   6.675   8.427   2.797
  197   2HD2  LEU  24          2HD2      LEU  24   5.916   7.227   1.756
  198   3HD2  LEU  24          3HD2      LEU  24   7.104   6.726   2.957
  199    H    LEU  25           H        LEU  25   5.190   9.245   1.559
  200    HA   LEU  25           HA       LEU  25   4.511   7.566  -0.568
  201   1HB   LEU  25          1HB       LEU  25   3.522   7.907   1.890
  202   2HB   LEU  25          2HB       LEU  25   2.311   8.778   0.982
  203    HG   LEU  25           HG       LEU  25   1.753   6.798  -0.289
  204   1HD1  LEU  25          1HD1      LEU  25   4.271   5.784   0.963
  205   2HD1  LEU  25          2HD1      LEU  25   2.978   4.624   0.660
  206   3HD1  LEU  25          3HD1      LEU  25   3.661   5.551  -0.676
  207   1HD2  LEU  25          1HD2      LEU  25   1.845   6.709   2.687
  208   2HD2  LEU  25          2HD2      LEU  25   0.455   6.663   1.604
  209   3HD2  LEU  25          3HD2      LEU  25   1.420   5.211   1.861
  210    H    SER  26           H        SER  26   3.027   7.706  -2.218
  211    HA   SER  26           HA       SER  26   2.441  10.470  -3.112
  212   1HB   SER  26          1HB       SER  26   2.372   8.274  -5.100
  213   2HB   SER  26          2HB       SER  26   2.976   9.920  -5.255
  214    HG   SER  26           HG       SER  26   4.511   8.010  -5.147
  215    H    SER  27           H        SER  27   1.206   7.211  -3.900
  216    HA   SER  27           HA       SER  27  -1.484   7.995  -3.066
  217   1HB   SER  27          1HB       SER  27  -2.516   7.619  -5.195
  218   2HB   SER  27          2HB       SER  27  -1.198   8.756  -5.460
  219    HG   SER  27           HG       SER  27  -0.608   7.330  -6.896
  220    H    TRP  28           H        TRP  28  -2.947   5.995  -4.132
  221    HA   TRP  28           HA       TRP  28  -1.593   3.445  -3.616
  222   1HB   TRP  28          1HB       TRP  28  -3.429   2.760  -2.046
  223   2HB   TRP  28          2HB       TRP  28  -2.384   4.024  -1.401
  224    HD1  TRP  28           HD1      TRP  28  -3.364   6.508  -1.295
  225    HE1  TRP  28           HE1      TRP  28  -5.783   7.397  -1.263
  226    HE3  TRP  28           HE3      TRP  28  -5.847   2.339  -2.890
  227    HZ2  TRP  28           HZ2      TRP  28  -8.426   6.455  -1.858
  228    HZ3  TRP  28           HZ3      TRP  28  -8.309   2.364  -3.148
  229    HH2  TRP  28           HH2      TRP  28  -9.602   4.413  -2.630
  230    H    TYR  29           H        TYR  29  -2.556   1.707  -4.661
  231    HA   TYR  29           HA       TYR  29  -4.969   2.363  -6.236
  232   1HB   TYR  29          1HB       TYR  29  -4.142   1.268  -8.141
  233   2HB   TYR  29          2HB       TYR  29  -2.759   2.168  -7.540
  234    HD1  TYR  29           HD1      TYR  29  -0.931   0.960  -6.282
  235    HD2  TYR  29           HD2      TYR  29  -4.159  -1.119  -8.211
  236    HE1  TYR  29           HE1      TYR  29   0.364  -1.152  -6.183
  237    HE2  TYR  29           HE2      TYR  29  -2.859  -3.230  -8.112
  238    HH   TYR  29           HH       TYR  29  -0.591  -3.980  -7.901
  239    HA   PRO  30           HA       PRO  30  -6.580  -1.250  -4.203
  240   1HB   PRO  30          1HB       PRO  30  -8.946  -1.439  -5.553
  241   2HB   PRO  30          2HB       PRO  30  -8.623  -0.228  -4.304
  242   1HG   PRO  30          1HG       PRO  30  -8.812   0.105  -7.235
  243   2HG   PRO  30          2HG       PRO  30  -9.065   1.291  -5.947
  244   1HD   PRO  30          1HD       PRO  30  -6.743   1.009  -7.577
  245   2HD   PRO  30          2HD       PRO  30  -6.933   2.067  -6.160
  246    H    THR  31           H        THR  31  -6.958  -3.473  -4.528
  247    HA   THR  31           HA       THR  31  -6.151  -4.481  -7.187
  248    HB   THR  31           HB       THR  31  -4.629  -5.174  -5.427
  249    HG1  THR  31           HG1      THR  31  -4.889  -6.789  -6.844
  250   1HG2  THR  31          1HG2      THR  31  -7.173  -5.645  -3.991
  251   2HG2  THR  31          2HG2      THR  31  -5.919  -6.857  -3.731
  252   3HG2  THR  31          3HG2      THR  31  -5.597  -5.164  -3.365
  253    H    SER  32           H        SER  32  -7.019  -6.847  -7.463
  254    HA   SER  32           HA       SER  32  -9.844  -6.649  -7.762
  255   1HB   SER  32          1HB       SER  32  -8.012  -8.154  -8.993
  256   2HB   SER  32          2HB       SER  32  -8.541  -9.328  -7.792
  257    HG   SER  32           HG       SER  32 -10.691  -8.932  -8.506
  258    H    GLN  33           H        GLN  33 -11.506  -7.603  -6.636
  259    HA   GLN  33           HA       GLN  33 -10.853  -8.442  -3.903
  260   1HB   GLN  33          1HB       GLN  33 -13.305  -8.144  -3.530
  261   2HB   GLN  33          2HB       GLN  33 -12.486  -6.672  -4.037
  262   1HG   GLN  33          1HG       GLN  33 -13.523  -8.355  -6.241
  263   2HG   GLN  33          2HG       GLN  33 -14.759  -7.638  -5.207
  264   2HE2  GLN  33          2HE2      GLN  33 -13.847  -5.155  -4.587
  265   1HE2  GLN  33          1HE2      GLN  33 -13.518  -4.244  -5.980
  266    H    LEU  34           H        LEU  34 -10.535 -10.199  -6.296
  267    HA   LEU  34           HA       LEU  34 -12.448 -12.322  -5.531
  268   1HB   LEU  34          1HB       LEU  34 -12.053 -13.252  -7.789
  269   2HB   LEU  34          2HB       LEU  34 -12.826 -11.682  -7.808
  270    HG   LEU  34           HG       LEU  34 -10.263 -10.898  -8.077
  271   1HD1  LEU  34          1HD1      LEU  34 -10.409 -13.764  -8.912
  272   2HD1  LEU  34          2HD1      LEU  34  -9.440 -12.654  -9.881
  273   3HD1  LEU  34          3HD1      LEU  34  -9.076 -12.878  -8.169
  274   1HD2  LEU  34          1HD2      LEU  34 -12.336 -10.561  -9.565
  275   2HD2  LEU  34          2HD2      LEU  34 -10.766 -10.548 -10.366
  276   3HD2  LEU  34          3HD2      LEU  34 -11.785 -11.986 -10.445
  277    H    CYS  35           H        CYS  35  -9.939 -11.705  -4.220
  278    HA   CYS  35           HA       CYS  35  -8.357 -14.107  -4.932
  279   1HB   CYS  35          1HB       CYS  35  -7.394 -11.654  -3.440
  280   2HB   CYS  35          2HB       CYS  35  -6.412 -13.012  -3.985
  281    H    SER  36           H        SER  36  -6.886 -14.512  -2.752
  282    HA   SER  36           HA       SER  36  -8.834 -15.481  -0.832
  283   1HB   SER  36          1HB       SER  36  -6.849 -16.838  -1.539
  284   2HB   SER  36          2HB       SER  36  -5.815 -15.671  -0.723
  285    HG   SER  36           HG       SER  36  -7.430 -17.646   0.301
  286    H    LYS  37           H        LYS  37  -6.371 -12.996  -1.048
  287    HA   LYS  37           HA       LYS  37  -7.400 -11.809   1.438
  288   1HB   LYS  37          1HB       LYS  37  -5.345 -13.147   1.993
  289   2HB   LYS  37          2HB       LYS  37  -4.438 -12.110   0.892
  290   1HG   LYS  37          1HG       LYS  37  -4.100 -10.854   2.769
  291   2HG   LYS  37          2HG       LYS  37  -5.705 -10.227   2.391
  292   1HD   LYS  37          1HD       LYS  37  -6.081 -10.870   4.573
  293   2HD   LYS  37          2HD       LYS  37  -6.453 -12.396   3.770
  294   1HE   LYS  37          1HE       LYS  37  -4.921 -13.226   5.253
  295   2HE   LYS  37          2HE       LYS  37  -3.769 -12.661   4.044
  296   1HZ   LYS  37          1HZ       LYS  37  -4.720 -10.801   6.111
  297   2HZ   LYS  37          2HZ       LYS  37  -3.524 -11.936   6.507
  298   3HZ   LYS  37          3HZ       LYS  37  -3.246 -10.811   5.265
  299    HA   PRO  38           HA       PRO  38  -6.801  -8.638  -1.825
  300   1HB   PRO  38          1HB       PRO  38  -9.193  -7.376  -1.444
  301   2HB   PRO  38          2HB       PRO  38  -8.982  -8.791  -2.486
  302   1HG   PRO  38          1HG       PRO  38 -10.264  -8.594   0.171
  303   2HG   PRO  38          2HG       PRO  38 -10.531  -9.769  -1.125
  304   1HD   PRO  38          1HD       PRO  38  -8.996 -10.164   1.242
  305   2HD   PRO  38          2HD       PRO  38  -9.094 -11.256  -0.160
  306    H    GLY  39           H        GLY  39  -6.906  -6.212  -1.693
  307   1HA   GLY  39          1HA       GLY  39  -5.617  -5.273   0.668
  308   2HA   GLY  39          2HA       GLY  39  -7.286  -4.710   0.613
  309    H    VAL  40           H        VAL  40  -4.512  -3.420   0.241
  310    HA   VAL  40           HA       VAL  40  -4.721  -2.382  -2.482
  311    HB   VAL  40           HB       VAL  40  -4.816  -0.477  -0.135
  312   1HG1  VAL  40          1HG1      VAL  40  -3.867  -0.015  -2.608
  313   2HG1  VAL  40          2HG1      VAL  40  -5.583   0.253  -2.913
  314   3HG1  VAL  40          3HG1      VAL  40  -4.744   1.204  -1.687
  315   1HG2  VAL  40          1HG2      VAL  40  -7.002  -1.531  -1.942
  316   2HG2  VAL  40          2HG2      VAL  40  -6.951  -1.569  -0.180
  317   3HG2  VAL  40          3HG2      VAL  40  -7.163  -0.035  -1.023
  318    H    ILE  41           H        ILE  41  -2.813  -1.706  -3.287
  319    HA   ILE  41           HA       ILE  41  -0.483  -1.911  -1.494
  320    HB   ILE  41           HB       ILE  41  -0.833  -2.320  -4.464
  321   1HG1  ILE  41          1HG1      ILE  41   0.444  -4.454  -3.740
  322   2HG1  ILE  41          2HG1      ILE  41   0.031  -3.967  -2.095
  323   1HG2  ILE  41          1HG2      ILE  41   1.740  -1.907  -2.919
  324   2HG2  ILE  41          2HG2      ILE  41   1.685  -2.759  -4.462
  325   3HG2  ILE  41          3HG2      ILE  41   1.208  -1.062  -4.375
  326   1HD1  ILE  41          1HD1      ILE  41  -2.158  -3.963  -4.125
  327   2HD1  ILE  41          2HD1      ILE  41  -1.594  -5.526  -3.536
  328   3HD1  ILE  41          3HD1      ILE  41  -2.226  -4.333  -2.403
  329    H    PHE  42           H        PHE  42   0.423  -0.090  -0.865
  330    HA   PHE  42           HA       PHE  42  -0.270   2.447  -2.075
  331   1HB   PHE  42          1HB       PHE  42   1.287   1.561   0.320
  332   2HB   PHE  42          2HB       PHE  42   1.586   3.175  -0.323
  333    HD1  PHE  42           HD1      PHE  42  -1.031   0.909   1.022
  334    HD2  PHE  42           HD2      PHE  42  -0.011   4.934  -0.077
  335    HE1  PHE  42           HE1      PHE  42  -3.097   1.733   2.120
  336    HE2  PHE  42           HE2      PHE  42  -2.075   5.758   1.021
  337    HZ   PHE  42           HZ       PHE  42  -3.618   4.158   2.123
  338    H    LEU  43           H        LEU  43   1.063   3.808  -3.210
  339    HA   LEU  43           HA       LEU  43   3.649   2.666  -4.102
  340   1HB   LEU  43          1HB       LEU  43   1.504   4.147  -5.563
  341   2HB   LEU  43          2HB       LEU  43   3.166   4.341  -6.077
  342    HG   LEU  43           HG       LEU  43   3.339   1.959  -6.539
  343   1HD1  LEU  43          1HD1      LEU  43   0.650   1.926  -5.195
  344   2HD1  LEU  43          2HD1      LEU  43   1.045   0.698  -6.396
  345   3HD1  LEU  43          3HD1      LEU  43   2.030   0.857  -4.943
  346   1HD2  LEU  43          1HD2      LEU  43   2.189   3.637  -8.146
  347   2HD2  LEU  43          2HD2      LEU  43   1.961   1.918  -8.462
  348   3HD2  LEU  43          3HD2      LEU  43   0.686   2.846  -7.673
  349    H    THR  44           H        THR  44   5.204   3.717  -2.979
  350    HA   THR  44           HA       THR  44   4.873   6.395  -2.024
  351    HB   THR  44           HB       THR  44   7.198   6.224  -1.311
  352    HG1  THR  44           HG1      THR  44   7.195   3.828  -2.828
  353   1HG2  THR  44          1HG2      THR  44   5.271   4.008  -0.863
  354   2HG2  THR  44          2HG2      THR  44   6.930   3.722  -0.334
  355   3HG2  THR  44          3HG2      THR  44   6.028   5.097   0.300
  356    H    LYS  45           H        LYS  45   6.571   8.096  -2.551
  357    HA   LYS  45           HA       LYS  45   6.319   8.884  -5.237
  358   1HB   LYS  45          1HB       LYS  45   7.921   9.811  -2.903
  359   2HB   LYS  45          2HB       LYS  45   8.418  10.365  -4.501
  360   1HG   LYS  45          1HG       LYS  45   6.576  11.677  -4.763
  361   2HG   LYS  45          2HG       LYS  45   5.507  10.499  -4.004
  362   1HD   LYS  45          1HD       LYS  45   5.715  11.449  -1.950
  363   2HD   LYS  45          2HD       LYS  45   7.446  11.721  -2.147
  364   1HE   LYS  45          1HE       LYS  45   6.719  13.912  -2.191
  365   2HE   LYS  45          2HE       LYS  45   6.585  13.534  -3.908
  366   1HZ   LYS  45          1HZ       LYS  45   4.379  13.265  -1.938
  367   2HZ   LYS  45          2HZ       LYS  45   4.573  14.577  -3.001
  368   3HZ   LYS  45          3HZ       LYS  45   4.271  13.025  -3.616
  369    H    ARG  46           H        ARG  46   9.259   7.800  -3.533
  370    HA   ARG  46           HA       ARG  46  10.249   6.728  -6.107
  371   1HB   ARG  46          1HB       ARG  46  11.362   8.886  -5.430
  372   2HB   ARG  46          2HB       ARG  46  11.976   8.035  -4.010
  373   1HG   ARG  46          1HG       ARG  46  13.387   6.680  -5.259
  374   2HG   ARG  46          2HG       ARG  46  12.390   6.804  -6.710
  375   1HD   ARG  46          1HD       ARG  46  13.198   8.959  -7.225
  376   2HD   ARG  46          2HD       ARG  46  13.810   9.215  -5.594
  377    HE   ARG  46           HE       ARG  46  15.142   7.011  -6.805
  378   1HH1  ARG  46          1HH1      ARG  46  14.958  10.506  -6.905
  379   2HH1  ARG  46          2HH1      ARG  46  16.586  10.688  -7.461
  380   1HH2  ARG  46          1HH2      ARG  46  17.258   7.294  -7.530
  381   2HH2  ARG  46          2HH2      ARG  46  17.879   8.887  -7.812
  382    H    GLY  47           H        GLY  47   9.270   5.876  -3.073
  383   1HA   GLY  47          1HA       GLY  47   9.789   4.182  -1.599
  384   2HA   GLY  47          2HA       GLY  47  11.394   4.103  -2.318
  385    H    ARG  48           H        ARG  48   8.464   2.546  -1.963
  386    HA   ARG  48           HA       ARG  48   8.558   1.049  -4.462
  387   1HB   ARG  48          1HB       ARG  48   9.720   0.045  -1.945
  388   2HB   ARG  48          2HB       ARG  48   8.587  -1.066  -2.710
  389   1HG   ARG  48          1HG       ARG  48   9.918  -0.463  -4.900
  390   2HG   ARG  48          2HG       ARG  48  11.181   0.013  -3.765
  391   1HD   ARG  48          1HD       ARG  48  10.541  -2.354  -2.684
  392   2HD   ARG  48          2HD       ARG  48  10.072  -2.691  -4.346
  393    HE   ARG  48           HE       ARG  48  12.320  -2.700  -4.926
  394   1HH1  ARG  48          1HH1      ARG  48  11.924  -1.212  -1.782
  395   2HH1  ARG  48          2HH1      ARG  48  13.625  -1.130  -1.482
  396   1HH2  ARG  48          1HH2      ARG  48  14.530  -2.573  -4.493
  397   2HH2  ARG  48          2HH2      ARG  48  15.090  -1.893  -3.002
  398    H    GLN  49           H        GLN  49   7.029  -1.074  -3.908
  399    HA   GLN  49           HA       GLN  49   4.449   0.123  -3.330
  400   1HB   GLN  49          1HB       GLN  49   5.398  -2.484  -4.448
  401   2HB   GLN  49          2HB       GLN  49   3.779  -2.402  -3.754
  402   1HG   GLN  49          1HG       GLN  49   3.239  -1.723  -5.878
  403   2HG   GLN  49          2HG       GLN  49   3.729  -0.152  -5.242
  404   2HE2  GLN  49          2HE2      GLN  49   4.467   0.543  -7.388
  405   1HE2  GLN  49          1HE2      GLN  49   5.902  -0.071  -8.055
  406    H    VAL  50           H        VAL  50   2.952  -0.813  -1.777
  407    HA   VAL  50           HA       VAL  50   4.086  -2.511   0.312
  408    HB   VAL  50           HB       VAL  50   3.037   0.262   0.931
  409   1HG1  VAL  50          1HG1      VAL  50   3.775  -2.121   2.595
  410   2HG1  VAL  50          2HG1      VAL  50   4.107  -0.508   3.227
  411   3HG1  VAL  50          3HG1      VAL  50   2.455  -0.971   2.814
  412   1HG2  VAL  50          1HG2      VAL  50   5.812  -0.945   1.007
  413   2HG2  VAL  50          2HG2      VAL  50   5.271   0.423   0.035
  414   3HG2  VAL  50          3HG2      VAL  50   5.390   0.579   1.788
  415    H    CYS  51           H        CYS  51   2.602  -3.947   0.866
  416    HA   CYS  51           HA       CYS  51  -0.155  -3.675   0.069
  417   1HB   CYS  51          1HB       CYS  51   1.513  -5.756   1.399
  418   2HB   CYS  51          2HB       CYS  51  -0.222  -5.802   1.711
  419    H    ALA  52           H        ALA  52  -1.610  -2.514   1.177
  420    HA   ALA  52           HA       ALA  52  -1.387  -2.458   4.123
  421   1HB   ALA  52          1HB       ALA  52  -0.587  -0.317   2.885
  422   2HB   ALA  52          2HB       ALA  52  -2.304  -0.040   2.594
  423   3HB   ALA  52          3HB       ALA  52  -1.696  -0.145   4.246
  424    H    ASP  53           H        ASP  53  -3.236  -2.708   5.212
  425    HA   ASP  53           HA       ASP  53  -5.680  -3.168   3.647
  426   1HB   ASP  53          1HB       ASP  53  -4.677  -4.062   6.311
  427   2HB   ASP  53          2HB       ASP  53  -6.420  -3.892   6.108
  428    H    LYS  54           H        LYS  54  -7.210  -1.664   3.562
  429    HA   LYS  54           HA       LYS  54  -7.034   0.854   4.755
  430   1HB   LYS  54          1HB       LYS  54  -9.439   1.107   4.146
  431   2HB   LYS  54          2HB       LYS  54  -8.452   0.488   2.821
  432   1HG   LYS  54          1HG       LYS  54  -9.224  -1.751   3.170
  433   2HG   LYS  54          2HG       LYS  54  -9.974  -1.323   4.708
  434   1HD   LYS  54          1HD       LYS  54 -11.719  -0.135   3.672
  435   2HD   LYS  54          2HD       LYS  54 -10.826   0.039   2.160
  436   1HE   LYS  54          1HE       LYS  54 -11.119  -2.275   1.615
  437   2HE   LYS  54          2HE       LYS  54 -11.713  -2.647   3.232
  438   1HZ   LYS  54          1HZ       LYS  54 -13.574  -1.063   2.747
  439   2HZ   LYS  54          2HZ       LYS  54 -13.056  -1.048   1.131
  440   3HZ   LYS  54          3HZ       LYS  54 -13.589  -2.499   1.838
  441    H    SER  55           H        SER  55  -8.273  -2.135   6.035
  442    HA   SER  55           HA       SER  55 -10.008  -1.203   8.024
  443   1HB   SER  55          1HB       SER  55  -9.130  -3.664   7.269
  444   2HB   SER  55          2HB       SER  55  -8.283  -3.465   8.798
  445    HG   SER  55           HG       SER  55 -10.114  -3.683   9.795
  446    H    LYS  56           H        LYS  56  -6.524  -1.169   7.840
  447    HA   LYS  56           HA       LYS  56  -5.887  -0.864  10.564
  448   1HB   LYS  56          1HB       LYS  56  -4.470   0.379   8.193
  449   2HB   LYS  56          2HB       LYS  56  -3.786   0.105   9.795
  450   1HG   LYS  56          1HG       LYS  56  -4.978  -2.270   8.468
  451   2HG   LYS  56          2HG       LYS  56  -3.492  -1.647   7.753
  452   1HD   LYS  56          1HD       LYS  56  -2.746  -3.194   9.384
  453   2HD   LYS  56          2HD       LYS  56  -2.562  -1.620  10.161
  454   1HE   LYS  56          1HE       LYS  56  -5.209  -2.905  10.511
  455   2HE   LYS  56          2HE       LYS  56  -3.862  -3.714  11.311
  456   1HZ   LYS  56          1HZ       LYS  56  -4.144  -0.798  11.542
  457   2HZ   LYS  56          2HZ       LYS  56  -5.114  -1.805  12.504
  458   3HZ   LYS  56          3HZ       LYS  56  -3.422  -1.900  12.616
  459    H    ASP  57           H        ASP  57  -4.608   1.432  11.025
  460    HA   ASP  57           HA       ASP  57  -6.789   3.417  10.983
  461   1HB   ASP  57          1HB       ASP  57  -5.660   2.569  13.168
  462   2HB   ASP  57          2HB       ASP  57  -4.331   3.631  12.699
  463    H    TRP  58           H        TRP  58  -3.220   3.331  10.822
  464    HA   TRP  58           HA       TRP  58  -2.962   5.956   9.812
  465   1HB   TRP  58          1HB       TRP  58  -0.660   5.315   9.200
  466   2HB   TRP  58          2HB       TRP  58  -1.066   4.832  10.843
  467    HD1  TRP  58           HD1      TRP  58  -1.524   2.211  11.276
  468    HE1  TRP  58           HE1      TRP  58  -0.655   0.130  10.030
  469    HE3  TRP  58           HE3      TRP  58  -0.021   4.365   6.903
  470    HZ2  TRP  58           HZ2      TRP  58   0.522  -0.537   7.493
  471    HZ3  TRP  58           HZ3      TRP  58   0.973   2.993   5.098
  472    HH2  TRP  58           HH2      TRP  58   1.244   0.552   5.387
  473    H    VAL  59           H        VAL  59  -3.605   2.903   8.254
  474    HA   VAL  59           HA       VAL  59  -2.981   3.808   5.595
  475    HB   VAL  59           HB       VAL  59  -4.721   1.485   6.459
  476   1HG1  VAL  59          1HG1      VAL  59  -3.692   2.505   3.861
  477   2HG1  VAL  59          2HG1      VAL  59  -3.580   0.763   4.111
  478   3HG1  VAL  59          3HG1      VAL  59  -5.146   1.568   4.204
  479   1HG2  VAL  59          1HG2      VAL  59  -1.751   1.684   5.872
  480   2HG2  VAL  59          2HG2      VAL  59  -2.487   1.302   7.428
  481   3HG2  VAL  59          3HG2      VAL  59  -2.625   0.168   6.084
  482    H    LYS  60           H        LYS  60  -5.799   3.794   7.674
  483    HA   LYS  60           HA       LYS  60  -7.760   4.349   5.703
  484   1HB   LYS  60          1HB       LYS  60  -8.105   3.652   8.165
  485   2HB   LYS  60          2HB       LYS  60  -7.897   5.364   8.537
  486   1HG   LYS  60          1HG       LYS  60  -9.834   5.987   7.391
  487   2HG   LYS  60          2HG       LYS  60  -9.816   4.544   6.377
  488   1HD   LYS  60          1HD       LYS  60 -10.174   3.255   8.616
  489   2HD   LYS  60          2HD       LYS  60 -10.692   4.820   9.243
  490   1HE   LYS  60          1HE       LYS  60 -12.192   4.899   7.103
  491   2HE   LYS  60          2HE       LYS  60 -11.935   3.155   7.068
  492   1HZ   LYS  60          1HZ       LYS  60 -12.744   3.037   9.350
  493   2HZ   LYS  60          2HZ       LYS  60 -13.032   4.711   9.347
  494   3HZ   LYS  60          3HZ       LYS  60 -13.917   3.699   8.314
  495    H    LYS  61           H        LYS  61  -5.784   6.438   7.785
  496    HA   LYS  61           HA       LYS  61  -6.885   8.906   6.972
  497   1HB   LYS  61          1HB       LYS  61  -5.154   8.296   8.882
  498   2HB   LYS  61          2HB       LYS  61  -3.977   8.715   7.636
  499   1HG   LYS  61          1HG       LYS  61  -4.375  10.771   8.715
  500   2HG   LYS  61          2HG       LYS  61  -5.420  10.847   7.295
  501   1HD   LYS  61          1HD       LYS  61  -6.990  11.410   8.873
  502   2HD   LYS  61          2HD       LYS  61  -7.121   9.657   9.012
  503   1HE   LYS  61          1HE       LYS  61  -5.268   9.823  10.786
  504   2HE   LYS  61          2HE       LYS  61  -5.589  11.558  10.791
  505   1HZ   LYS  61          1HZ       LYS  61  -7.630   9.454  11.263
  506   2HZ   LYS  61          2HZ       LYS  61  -6.866  10.352  12.482
  507   3HZ   LYS  61          3HZ       LYS  61  -7.871  11.134  11.356
  508    H    LEU  62           H        LEU  62  -4.158   7.017   5.717
  509    HA   LEU  62           HA       LEU  62  -3.289   8.867   3.769
  510   1HB   LEU  62          1HB       LEU  62  -3.179   5.856   3.739
  511   2HB   LEU  62          2HB       LEU  62  -2.321   6.896   2.627
  512    HG   LEU  62           HG       LEU  62  -1.859   7.272   5.555
  513   1HD1  LEU  62          1HD1      LEU  62  -1.191   4.860   3.945
  514   2HD1  LEU  62          2HD1      LEU  62   0.098   5.515   4.955
  515   3HD1  LEU  62          3HD1      LEU  62  -1.430   5.024   5.684
  516   1HD2  LEU  62          1HD2      LEU  62  -0.503   7.786   2.952
  517   2HD2  LEU  62          2HD2      LEU  62  -0.550   8.778   4.409
  518   3HD2  LEU  62          3HD2      LEU  62   0.539   7.395   4.320
  519    H    MET  63           H        MET  63  -5.624   6.228   3.660
  520    HA   MET  63           HA       MET  63  -6.274   6.216   0.958
  521   1HB   MET  63          1HB       MET  63  -7.882   5.637   3.430
  522   2HB   MET  63          2HB       MET  63  -8.625   5.562   1.832
  523   1HG   MET  63          1HG       MET  63  -6.347   4.149   1.370
  524   2HG   MET  63          2HG       MET  63  -6.609   3.770   3.071
  525   1HE   MET  63          1HE       MET  63  -7.038   3.230  -0.262
  526   2HE   MET  63          2HE       MET  63  -7.111   1.528   0.214
  527   3HE   MET  63          3HE       MET  63  -8.477   2.277  -0.610
  528    H    GLN  64           H        GLN  64  -7.345   8.386   3.510
  529    HA   GLN  64           HA       GLN  64  -9.136   9.801   1.672
  530   1HB   GLN  64          1HB       GLN  64  -8.598  10.010   4.630
  531   2HB   GLN  64          2HB       GLN  64  -9.531  11.234   3.767
  532   1HG   GLN  64          1HG       GLN  64 -11.017   9.387   2.910
  533   2HG   GLN  64          2HG       GLN  64 -10.161   8.278   3.981
  534   2HE2  GLN  64          2HE2      GLN  64 -12.973   9.935   3.875
  535   1HE2  GLN  64          1HE2      GLN  64 -13.181  10.294   5.521
  536    H    GLN  65           H        GLN  65  -6.010  10.139   3.202
  537    HA   GLN  65           HA       GLN  65  -5.723  12.946   2.685
  538   1HB   GLN  65          1HB       GLN  65  -3.896  10.750   3.581
  539   2HB   GLN  65          2HB       GLN  65  -3.211  12.280   3.038
  540   1HG   GLN  65          1HG       GLN  65  -5.161  13.215   4.660
  541   2HG   GLN  65          2HG       GLN  65  -4.820  11.682   5.463
  542   2HE2  GLN  65          2HE2      GLN  65  -2.651  11.360   6.347
  543   1HE2  GLN  65          1HE2      GLN  65  -1.593  12.669   6.573
  544    H    LEU  66           H        LEU  66  -4.836   9.977   1.002
  545    HA   LEU  66           HA       LEU  66  -3.545  11.530  -1.135
  546   1HB   LEU  66          1HB       LEU  66  -3.693   8.589  -0.518
  547   2HB   LEU  66          2HB       LEU  66  -3.108   9.184  -2.055
  548    HG   LEU  66           HG       LEU  66  -1.262  10.326  -0.954
  549   1HD1  LEU  66          1HD1      LEU  66  -2.833   9.607   1.484
  550   2HD1  LEU  66          2HD1      LEU  66  -1.075   9.622   1.615
  551   3HD1  LEU  66          3HD1      LEU  66  -1.936  11.082   1.123
  552   1HD2  LEU  66          1HD2      LEU  66  -1.779   7.430  -0.515
  553   2HD2  LEU  66          2HD2      LEU  66  -0.458   8.217  -1.375
  554   3HD2  LEU  66          3HD2      LEU  66  -0.432   8.124   0.385
  555    HA   PRO  67           HA       PRO  67  -7.101  11.157  -3.708
  556   1HB   PRO  67          1HB       PRO  67  -5.963  11.227  -6.200
  557   2HB   PRO  67          2HB       PRO  67  -6.120  12.639  -5.144
  558   1HG   PRO  67          1HG       PRO  67  -3.712  11.045  -5.804
  559   2HG   PRO  67          2HG       PRO  67  -3.844  12.741  -5.320
  560   1HD   PRO  67          1HD       PRO  67  -3.064  10.587  -3.657
  561   2HD   PRO  67          2HD       PRO  67  -3.494  12.228  -3.121
  562    H    VAL  68           H        VAL  68  -4.881   9.436  -5.873
  563    HA   VAL  68           HA       VAL  68  -5.196   6.807  -5.347
  564    HB   VAL  68           HB       VAL  68  -7.782   7.901  -6.305
  565   1HG1  VAL  68          1HG1      VAL  68  -6.670   5.369  -7.555
  566   2HG1  VAL  68          2HG1      VAL  68  -8.374   5.822  -7.569
  567   3HG1  VAL  68          3HG1      VAL  68  -7.190   6.822  -8.409
  568   1HG2  VAL  68          1HG2      VAL  68  -6.975   6.419  -4.218
  569   2HG2  VAL  68          2HG2      VAL  68  -8.618   6.345  -4.849
  570   3HG2  VAL  68          3HG2      VAL  68  -7.439   5.118  -5.312
  571    H    THR  69           H        THR  69  -4.630   5.431  -7.155
  572    HA   THR  69           HA       THR  69  -2.772   6.629  -8.905
  573    HB   THR  69           HB       THR  69  -3.154   4.298 -10.136
  574    HG1  THR  69           HG1      THR  69  -4.598   3.164  -9.157
  575   1HG2  THR  69          1HG2      THR  69  -1.169   5.055  -8.801
  576   2HG2  THR  69          2HG2      THR  69  -1.984   4.475  -7.349
  577   3HG2  THR  69          3HG2      THR  69  -1.529   3.338  -8.617
  578    H    ALA  70           H        ALA  70  -2.822   6.514 -11.285
  579    HA   ALA  70           HA       ALA  70  -3.733   7.122 -13.308
  580   1HB   ALA  70          1HB       ALA  70  -5.739   6.081 -13.988
  581   2HB   ALA  70          2HB       ALA  70  -5.041   4.961 -12.818
  582   3HB   ALA  70          3HB       ALA  70  -6.367   6.022 -12.341
  583    H    ARG  71           H        ARG  71  -5.437   8.507 -14.327
  584    HA   ARG  71           HA       ARG  71  -5.725  10.925 -12.882
  585   1HB   ARG  71          1HB       ARG  71  -7.176  10.012 -15.378
  586   2HB   ARG  71          2HB       ARG  71  -7.101  11.669 -14.781
  587   1HG   ARG  71          1HG       ARG  71  -4.552  10.152 -15.248
  588   2HG   ARG  71          2HG       ARG  71  -5.394  10.878 -16.618
  589   1HD   ARG  71          1HD       ARG  71  -5.471  13.004 -15.074
  590   2HD   ARG  71          2HD       ARG  71  -4.133  12.216 -14.245
  591    HE   ARG  71           HE       ARG  71  -4.036  13.488 -16.819
  592   1HH1  ARG  71          1HH1      ARG  71  -2.671  10.908 -14.887
  593   2HH1  ARG  71          2HH1      ARG  71  -1.176  10.895 -15.756
  594   1HH2  ARG  71          1HH2      ARG  71  -2.071  13.438 -17.925
  595   2HH2  ARG  71          2HH2      ARG  71  -0.837  12.315 -17.462

  No H/Q in entry =         595
  Start of MODEL   20
    1    H1   LEU   1           H1       LEU   1  10.821 -16.283  -9.437
    2    H2   LEU   1           H2       LEU   1  12.388 -15.660  -9.650
    3    H3   LEU   1           H3       LEU   1  11.085 -15.006 -10.522
    4    HA   LEU   1           HA       LEU   1  10.943 -16.781 -11.954
    5   1HB   LEU   1          1HB       LEU   1  13.817 -16.358 -11.121
    6   2HB   LEU   1          2HB       LEU   1  13.388 -17.412 -12.469
    7    HG   LEU   1           HG       LEU   1  12.265 -14.628 -12.342
    8   1HD1  LEU   1          1HD1      LEU   1  15.071 -15.456 -13.012
    9   2HD1  LEU   1          2HD1      LEU   1  14.319 -14.149 -13.927
   10   3HD1  LEU   1          3HD1      LEU   1  14.505 -14.008 -12.179
   11   1HD2  LEU   1          1HD2      LEU   1  11.713 -16.616 -14.013
   12   2HD2  LEU   1          2HD2      LEU   1  11.848 -14.960 -14.605
   13   3HD2  LEU   1          3HD2      LEU   1  13.199 -16.078 -14.795
   14    H    GLY   2           H        GLY   2   9.801 -18.487 -11.051
   15   1HA   GLY   2          1HA       GLY   2  10.791 -20.293  -9.115
   16   2HA   GLY   2          2HA       GLY   2  11.129 -20.936 -10.720
   17    H    ALA   3           H        ALA   3   9.678 -22.682 -10.117
   18    HA   ALA   3           HA       ALA   3   7.003 -22.218 -11.072
   19   1HB   ALA   3          1HB       ALA   3   8.399 -24.342 -11.403
   20   2HB   ALA   3          2HB       ALA   3   7.980 -24.740  -9.737
   21   3HB   ALA   3          3HB       ALA   3   6.710 -24.565 -10.948
   22    H    SER   4           H        SER   4   5.342 -23.714  -9.640
   23    HA   SER   4           HA       SER   4   4.010 -23.817  -7.790
   24   1HB   SER   4          1HB       SER   4   4.952 -23.936  -5.680
   25   2HB   SER   4          2HB       SER   4   6.338 -24.304  -6.697
   26    HG   SER   4           HG       SER   4   7.061 -22.745  -5.373
   27    H    TRP   5           H        TRP   5   6.038 -20.914  -7.300
   28    HA   TRP   5           HA       TRP   5   3.875 -19.343  -6.330
   29   1HB   TRP   5          1HB       TRP   5   6.435 -18.972  -6.050
   30   2HB   TRP   5          2HB       TRP   5   6.321 -18.153  -7.608
   31    HD1  TRP   5           HD1      TRP   5   4.963 -17.958  -4.024
   32    HE1  TRP   5           HE1      TRP   5   4.138 -15.554  -3.592
   33    HE3  TRP   5           HE3      TRP   5   5.524 -15.978  -8.697
   34    HZ2  TRP   5           HZ2      TRP   5   3.764 -13.115  -5.037
   35    HZ3  TRP   5           HZ3      TRP   5   4.926 -13.615  -9.142
   36    HH2  TRP   5           HH2      TRP   5   4.048 -12.181  -7.319
   37    H    HIS   6           H        HIS   6   2.250 -19.736  -7.945
   38    HA   HIS   6           HA       HIS   6   1.997 -17.656  -9.832
   39   1HB   HIS   6          1HB       HIS   6   3.739 -19.203 -10.954
   40   2HB   HIS   6          2HB       HIS   6   2.386 -20.306 -11.206
   41    HD1  HIS   6           HD1      HIS   6   1.377 -19.985 -13.453
   42    HD2  HIS   6           HD2      HIS   6   2.764 -16.381 -11.883
   43    HE1  HIS   6           HE1      HIS   6   0.845 -18.203 -15.172
   44    H    ARG   7           H        ARG   7  -0.117 -17.339  -9.898
   45    HA   ARG   7           HA       ARG   7  -2.051 -19.154 -10.711
   46   1HB   ARG   7          1HB       ARG   7  -1.250 -19.844  -8.131
   47   2HB   ARG   7          2HB       ARG   7  -2.729 -18.920  -7.874
   48   1HG   ARG   7          1HG       ARG   7  -3.986 -20.367  -9.318
   49   2HG   ARG   7          2HG       ARG   7  -2.522 -21.165  -9.894
   50   1HD   ARG   7          1HD       ARG   7  -3.484 -21.217  -7.023
   51   2HD   ARG   7          2HD       ARG   7  -3.763 -22.507  -8.188
   52    HE   ARG   7           HE       ARG   7  -0.986 -21.896  -8.034
   53   1HH1  ARG   7          1HH1      ARG   7  -3.567 -23.474  -6.272
   54   2HH1  ARG   7          2HH1      ARG   7  -2.499 -24.563  -5.459
   55   1HH2  ARG   7          1HH2      ARG   7   0.372 -23.336  -6.951
   56   2HH2  ARG   7          2HH2      ARG   7  -0.288 -24.488  -5.839
   57    HA   PRO   8           HA       PRO   8  -4.241 -15.367  -8.874
   58   1HB   PRO   8          1HB       PRO   8  -2.908 -13.706  -7.164
   59   2HB   PRO   8          2HB       PRO   8  -3.803 -15.141  -6.641
   60   1HG   PRO   8          1HG       PRO   8  -0.886 -14.706  -6.793
   61   2HG   PRO   8          2HG       PRO   8  -1.806 -15.838  -5.792
   62   1HD   PRO   8          1HD       PRO   8  -0.382 -16.437  -8.187
   63   2HD   PRO   8          2HD       PRO   8  -1.449 -17.527  -7.275
   64    H    ASP   9           H        ASP   9  -4.387 -13.062  -9.415
   65    HA   ASP   9           HA       ASP   9  -2.674 -12.366 -11.620
   66   1HB   ASP   9          1HB       ASP   9  -5.020 -11.047 -10.278
   67   2HB   ASP   9          2HB       ASP   9  -4.061 -10.181 -11.479
   68    H    LYS  10           H        LYS  10  -3.581 -10.386  -8.817
   69    HA   LYS  10           HA       LYS  10  -0.778  -9.779  -8.267
   70   1HB   LYS  10          1HB       LYS  10  -1.188  -7.327  -8.371
   71   2HB   LYS  10          2HB       LYS  10  -1.302  -8.114  -9.943
   72   1HG   LYS  10          1HG       LYS  10  -3.836  -8.311  -9.432
   73   2HG   LYS  10          2HG       LYS  10  -3.532  -7.088  -8.197
   74   1HD   LYS  10          1HD       LYS  10  -2.461  -6.611 -10.948
   75   2HD   LYS  10          2HD       LYS  10  -4.189  -6.389 -10.678
   76   1HE   LYS  10          1HE       LYS  10  -3.701  -4.845  -8.814
   77   2HE   LYS  10          2HE       LYS  10  -1.972  -5.062  -9.088
   78   1HZ   LYS  10          1HZ       LYS  10  -3.814  -4.114 -11.204
   79   2HZ   LYS  10          2HZ       LYS  10  -3.025  -3.051 -10.145
   80   3HZ   LYS  10          3HZ       LYS  10  -2.117  -4.043 -11.183
   81    H    CYS  11           H        CYS  11  -2.995 -11.097  -6.891
   82    HA   CYS  11           HA       CYS  11  -4.150  -9.461  -4.905
   83   1HB   CYS  11          1HB       CYS  11  -3.405 -12.382  -4.620
   84   2HB   CYS  11          2HB       CYS  11  -4.638 -11.506  -3.716
   85    H    CYS  12           H        CYS  12  -3.571 -10.383  -2.464
   86    HA   CYS  12           HA       CYS  12  -0.679 -10.218  -2.039
   87   1HB   CYS  12          1HB       CYS  12  -2.044  -7.888  -1.943
   88   2HB   CYS  12          2HB       CYS  12  -2.289  -8.439  -0.286
   89    H    LEU  13           H        LEU  13  -0.018 -10.949   0.028
   90    HA   LEU  13           HA       LEU  13  -2.114 -12.454   1.481
   91   1HB   LEU  13          1HB       LEU  13  -0.454 -14.095   2.052
   92   2HB   LEU  13          2HB       LEU  13  -0.493 -13.889   0.314
   93    HG   LEU  13           HG       LEU  13   1.499 -12.179   0.888
   94   1HD1  LEU  13          1HD1      LEU  13   1.179 -13.966   3.244
   95   2HD1  LEU  13          2HD1      LEU  13   2.824 -13.748   2.645
   96   3HD1  LEU  13          3HD1      LEU  13   1.875 -12.349   3.145
   97   1HD2  LEU  13          1HD2      LEU  13   1.746 -15.200   0.690
   98   2HD2  LEU  13          2HD2      LEU  13   1.617 -14.083  -0.669
   99   3HD2  LEU  13          3HD2      LEU  13   3.044 -14.050   0.366
  100    H    GLY  14           H        GLY  14   0.820 -10.519   1.770
  101   1HA   GLY  14          1HA       GLY  14   1.898 -10.060   3.909
  102   2HA   GLY  14          2HA       GLY  14   0.329 -10.281   4.679
  103    H    TYR  15           H        TYR  15   1.037  -8.131   5.589
  104    HA   TYR  15           HA       TYR  15   0.603  -5.874   3.758
  105   1HB   TYR  15          1HB       TYR  15  -1.031  -6.414   6.248
  106   2HB   TYR  15          2HB       TYR  15  -0.983  -4.857   5.423
  107    HD1  TYR  15           HD1      TYR  15  -1.877  -8.445   5.023
  108    HD2  TYR  15           HD2      TYR  15  -2.175  -4.487   3.394
  109    HE1  TYR  15           HE1      TYR  15  -3.579  -9.239   3.403
  110    HE2  TYR  15           HE2      TYR  15  -3.874  -5.274   1.773
  111    HH   TYR  15           HH       TYR  15  -4.434  -8.531   1.143
  112    H    GLN  16           H        GLN  16   0.903  -3.752   5.038
  113    HA   GLN  16           HA       GLN  16   3.469  -3.908   6.341
  114   1HB   GLN  16          1HB       GLN  16   2.391  -1.982   4.840
  115   2HB   GLN  16          2HB       GLN  16   1.878  -1.391   6.416
  116   1HG   GLN  16          1HG       GLN  16   4.046  -0.422   5.881
  117   2HG   GLN  16          2HG       GLN  16   4.239  -1.566   7.207
  118   2HE2  GLN  16          2HE2      GLN  16   6.590  -1.326   6.144
  119   1HE2  GLN  16          1HE2      GLN  16   6.965  -2.499   4.977
  120    H    LYS  17           H        LYS  17   3.660  -4.503   8.390
  121    HA   LYS  17           HA       LYS  17   1.482  -4.226  10.266
  122   1HB   LYS  17          1HB       LYS  17   3.116  -5.184  11.896
  123   2HB   LYS  17          2HB       LYS  17   2.906  -6.174  10.451
  124   1HG   LYS  17          1HG       LYS  17   4.991  -5.594   9.583
  125   2HG   LYS  17          2HG       LYS  17   5.068  -4.092  10.504
  126   1HD   LYS  17          1HD       LYS  17   5.160  -5.571  12.602
  127   2HD   LYS  17          2HD       LYS  17   5.487  -6.911  11.503
  128   1HE   LYS  17          1HE       LYS  17   7.104  -4.401  11.239
  129   2HE   LYS  17          2HE       LYS  17   7.485  -5.525  12.543
  130   1HZ   LYS  17          1HZ       LYS  17   7.637  -7.300  10.881
  131   2HZ   LYS  17          2HZ       LYS  17   7.357  -6.168   9.646
  132   3HZ   LYS  17          3HZ       LYS  17   8.763  -6.065  10.594
  133    H    ARG  18           H        ARG  18   3.814  -2.072   9.147
  134    HA   ARG  18           HA       ARG  18   3.654  -0.517  11.657
  135   1HB   ARG  18          1HB       ARG  18   5.949  -0.973   9.786
  136   2HB   ARG  18          2HB       ARG  18   5.831   0.563  10.647
  137   1HG   ARG  18          1HG       ARG  18   5.665  -0.668  12.793
  138   2HG   ARG  18          2HG       ARG  18   5.838  -2.190  11.920
  139   1HD   ARG  18          1HD       ARG  18   8.046  -1.533  11.128
  140   2HD   ARG  18          2HD       ARG  18   7.873   0.053  11.872
  141    HE   ARG  18           HE       ARG  18   7.571  -2.041  13.801
  142   1HH1  ARG  18          1HH1      ARG  18   9.950  -0.258  11.953
  143   2HH1  ARG  18          2HH1      ARG  18  11.208  -0.513  13.112
  144   1HH2  ARG  18          1HH2      ARG  18   9.239  -2.350  15.286
  145   2HH2  ARG  18          2HH2      ARG  18  10.811  -1.688  14.983
  146    HA   PRO  19           HA       PRO  19   1.844   2.551   9.029
  147   1HB   PRO  19          1HB       PRO  19   2.058   4.723  10.671
  148   2HB   PRO  19          2HB       PRO  19   0.892   3.415  10.916
  149   1HG   PRO  19          1HG       PRO  19   3.347   4.036  12.427
  150   2HG   PRO  19          2HG       PRO  19   1.912   3.134  12.931
  151   1HD   PRO  19          1HD       PRO  19   4.426   2.046  12.115
  152   2HD   PRO  19          2HD       PRO  19   2.929   1.149  12.468
  153    H    LEU  20           H        LEU  20   2.528   3.771   7.364
  154    HA   LEU  20           HA       LEU  20   5.265   4.883   7.484
  155   1HB   LEU  20          1HB       LEU  20   3.851   4.741   4.887
  156   2HB   LEU  20          2HB       LEU  20   5.533   4.451   5.266
  157    HG   LEU  20           HG       LEU  20   3.219   2.531   5.596
  158   1HD1  LEU  20          1HD1      LEU  20   5.621   2.751   3.790
  159   2HD1  LEU  20          2HD1      LEU  20   4.871   1.186   4.100
  160   3HD1  LEU  20          3HD1      LEU  20   3.934   2.480   3.355
  161   1HD2  LEU  20          1HD2      LEU  20   5.953   2.579   6.783
  162   2HD2  LEU  20          2HD2      LEU  20   4.468   1.863   7.409
  163   3HD2  LEU  20          3HD2      LEU  20   5.385   1.035   6.150
  164    HA   PRO  21           HA       PRO  21   3.464   8.922   7.179
  165   1HB   PRO  21          1HB       PRO  21   5.654  10.328   6.330
  166   2HB   PRO  21          2HB       PRO  21   5.457   9.718   7.983
  167   1HG   PRO  21          1HG       PRO  21   7.225   8.741   5.824
  168   2HG   PRO  21          2HG       PRO  21   7.393   8.581   7.577
  169   1HD   PRO  21          1HD       PRO  21   6.475   6.585   5.761
  170   2HD   PRO  21          2HD       PRO  21   6.456   6.500   7.538
  171    H    GLN  22           H        GLN  22   2.542  10.336   5.693
  172    HA   GLN  22           HA       GLN  22   2.356   9.453   2.976
  173   1HB   GLN  22          1HB       GLN  22   0.559  10.667   4.337
  174   2HB   GLN  22          2HB       GLN  22   1.461  12.145   3.998
  175   1HG   GLN  22          1HG       GLN  22   0.939  10.395   1.659
  176   2HG   GLN  22          2HG       GLN  22  -0.478  11.176   2.362
  177   2HE2  GLN  22          2HE2      GLN  22   1.447  11.679  -0.140
  178   1HE2  GLN  22          1HE2      GLN  22   1.640  13.365  -0.092
  179    H    VAL  23           H        VAL  23   4.679  11.327   4.582
  180    HA   VAL  23           HA       VAL  23   5.314  13.349   2.793
  181    HB   VAL  23           HB       VAL  23   6.315  13.100   5.038
  182   1HG1  VAL  23          1HG1      VAL  23   6.664  10.552   4.652
  183   2HG1  VAL  23          2HG1      VAL  23   8.175  11.032   3.880
  184   3HG1  VAL  23          3HG1      VAL  23   7.883  11.431   5.572
  185   1HG2  VAL  23          1HG2      VAL  23   7.415  14.465   3.239
  186   2HG2  VAL  23          2HG2      VAL  23   8.537  13.849   4.452
  187   3HG2  VAL  23          3HG2      VAL  23   8.431  13.071   2.871
  188    H    LEU  24           H        LEU  24   6.355   9.970   2.792
  189    HA   LEU  24           HA       LEU  24   7.765  10.380   0.256
  190   1HB   LEU  24          1HB       LEU  24   9.057   8.633   0.820
  191   2HB   LEU  24          2HB       LEU  24   8.424   8.890   2.426
  192    HG   LEU  24           HG       LEU  24   7.378   6.872   0.424
  193   1HD1  LEU  24          1HD1      LEU  24   9.291   6.733   2.723
  194   2HD1  LEU  24          2HD1      LEU  24   8.285   5.335   2.341
  195   3HD1  LEU  24          3HD1      LEU  24   9.398   5.978   1.133
  196   1HD2  LEU  24          1HD2      LEU  24   6.217   8.005   2.809
  197   2HD2  LEU  24          2HD2      LEU  24   5.539   6.799   1.720
  198   3HD2  LEU  24          3HD2      LEU  24   6.546   6.295   3.075
  199    H    LEU  25           H        LEU  25   4.866   8.974   1.549
  200    HA   LEU  25           HA       LEU  25   4.327   7.397  -0.770
  201   1HB   LEU  25          1HB       LEU  25   3.424   7.273   1.766
  202   2HB   LEU  25          2HB       LEU  25   2.087   8.084   0.991
  203    HG   LEU  25           HG       LEU  25   1.649   6.228  -0.432
  204   1HD1  LEU  25          1HD1      LEU  25   4.448   5.469   0.284
  205   2HD1  LEU  25          2HD1      LEU  25   3.309   4.161  -0.031
  206   3HD1  LEU  25          3HD1      LEU  25   3.624   5.376  -1.270
  207   1HD2  LEU  25          1HD2      LEU  25   2.323   5.501   2.413
  208   2HD2  LEU  25          2HD2      LEU  25   0.737   5.740   1.680
  209   3HD2  LEU  25          3HD2      LEU  25   1.669   4.290   1.310
  210    H    SER  26           H        SER  26   3.195   7.803  -2.496
  211    HA   SER  26           HA       SER  26   2.280  10.574  -2.884
  212   1HB   SER  26          1HB       SER  26   3.857   9.170  -4.490
  213   2HB   SER  26          2HB       SER  26   2.315   8.588  -5.111
  214    HG   SER  26           HG       SER  26   2.119  10.431  -6.078
  215    H    SER  27           H        SER  27   1.143   7.385  -4.047
  216    HA   SER  27           HA       SER  27  -1.579   8.096  -3.197
  217   1HB   SER  27          1HB       SER  27  -1.364   6.921  -5.906
  218   2HB   SER  27          2HB       SER  27  -2.530   8.072  -5.268
  219    HG   SER  27           HG       SER  27  -0.892   8.855  -6.840
  220    H    TRP  28           H        TRP  28  -2.975   6.053  -4.300
  221    HA   TRP  28           HA       TRP  28  -1.619   3.528  -3.696
  222   1HB   TRP  28          1HB       TRP  28  -3.531   2.866  -2.172
  223   2HB   TRP  28          2HB       TRP  28  -2.433   4.071  -1.502
  224    HD1  TRP  28           HD1      TRP  28  -3.291   6.597  -1.377
  225    HE1  TRP  28           HE1      TRP  28  -5.667   7.599  -1.338
  226    HE3  TRP  28           HE3      TRP  28  -5.979   2.573  -3.029
  227    HZ2  TRP  28           HZ2      TRP  28  -8.346   6.798  -1.937
  228    HZ3  TRP  28           HZ3      TRP  28  -8.435   2.724  -3.283
  229    HH2  TRP  28           HH2      TRP  28  -9.623   4.829  -2.738
  230    H    TYR  29           H        TYR  29  -2.689   1.704  -4.564
  231    HA   TYR  29           HA       TYR  29  -5.072   2.304  -6.192
  232   1HB   TYR  29          1HB       TYR  29  -4.225   1.120  -8.090
  233   2HB   TYR  29          2HB       TYR  29  -2.996   2.281  -7.612
  234    HD1  TYR  29           HD1      TYR  29  -0.990   1.468  -6.251
  235    HD2  TYR  29           HD2      TYR  29  -3.786  -1.206  -8.121
  236    HE1  TYR  29           HE1      TYR  29   0.659  -0.367  -6.096
  237    HE2  TYR  29           HE2      TYR  29  -2.131  -3.045  -7.958
  238    HH   TYR  29           HH       TYR  29  -0.137  -3.598  -6.506
  239    HA   PRO  30           HA       PRO  30  -6.523  -1.401  -4.253
  240   1HB   PRO  30          1HB       PRO  30  -8.753  -1.832  -5.769
  241   2HB   PRO  30          2HB       PRO  30  -8.629  -0.565  -4.539
  242   1HG   PRO  30          1HG       PRO  30  -8.608  -0.327  -7.487
  243   2HG   PRO  30          2HG       PRO  30  -9.077   0.861  -6.263
  244   1HD   PRO  30          1HD       PRO  30  -6.617   0.776  -7.690
  245   2HD   PRO  30          2HD       PRO  30  -7.008   1.822  -6.305
  246    H    THR  31           H        THR  31  -6.357  -3.593  -4.441
  247    HA   THR  31           HA       THR  31  -5.393  -4.643  -7.015
  248    HB   THR  31           HB       THR  31  -3.943  -5.043  -5.082
  249    HG1  THR  31           HG1      THR  31  -3.629  -6.773  -6.210
  250   1HG2  THR  31          1HG2      THR  31  -6.410  -5.461  -3.734
  251   2HG2  THR  31          2HG2      THR  31  -5.521  -6.981  -3.669
  252   3HG2  THR  31          3HG2      THR  31  -4.784  -5.504  -3.052
  253    H    SER  32           H        SER  32  -5.970  -7.231  -6.965
  254    HA   SER  32           HA       SER  32  -8.671  -7.384  -7.744
  255   1HB   SER  32          1HB       SER  32  -6.507  -9.372  -7.231
  256   2HB   SER  32          2HB       SER  32  -8.163  -9.961  -7.338
  257    HG   SER  32           HG       SER  32  -8.283  -8.765  -9.349
  258    H    GLN  33           H        GLN  33 -10.473  -7.529  -6.600
  259    HA   GLN  33           HA       GLN  33 -10.402  -7.747  -3.730
  260   1HB   GLN  33          1HB       GLN  33 -12.505  -7.284  -5.793
  261   2HB   GLN  33          2HB       GLN  33 -13.014  -7.874  -4.211
  262   1HG   GLN  33          1HG       GLN  33 -11.529  -5.992  -3.245
  263   2HG   GLN  33          2HG       GLN  33 -11.554  -5.319  -4.876
  264   2HE2  GLN  33          2HE2      GLN  33 -13.371  -5.646  -1.945
  265   1HE2  GLN  33          1HE2      GLN  33 -14.800  -4.919  -2.502
  266    H    LEU  34           H        LEU  34 -10.990  -9.919  -6.395
  267    HA   LEU  34           HA       LEU  34 -12.208 -11.956  -4.723
  268   1HB   LEU  34          1HB       LEU  34 -11.260 -12.071  -7.587
  269   2HB   LEU  34          2HB       LEU  34 -12.146 -13.335  -6.766
  270    HG   LEU  34           HG       LEU  34 -13.713 -12.185  -8.137
  271   1HD1  LEU  34          1HD1      LEU  34 -14.444 -12.664  -5.783
  272   2HD1  LEU  34          2HD1      LEU  34 -14.016 -11.005  -5.361
  273   3HD1  LEU  34          3HD1      LEU  34 -15.304 -11.314  -6.525
  274   1HD2  LEU  34          1HD2      LEU  34 -12.102 -10.103  -8.183
  275   2HD2  LEU  34          2HD2      LEU  34 -13.834  -9.873  -8.421
  276   3HD2  LEU  34          3HD2      LEU  34 -13.109  -9.540  -6.849
  277    H    CYS  35           H        CYS  35 -10.045 -11.540  -3.405
  278    HA   CYS  35           HA       CYS  35  -8.225 -13.749  -4.147
  279   1HB   CYS  35          1HB       CYS  35  -7.346 -11.153  -2.859
  280   2HB   CYS  35          2HB       CYS  35  -6.313 -12.493  -3.355
  281    H    SER  36           H        SER  36  -6.934 -14.504  -2.230
  282    HA   SER  36           HA       SER  36  -8.662 -15.247  -0.123
  283   1HB   SER  36          1HB       SER  36  -6.359 -16.268  -0.973
  284   2HB   SER  36          2HB       SER  36  -5.708 -15.255   0.313
  285    HG   SER  36           HG       SER  36  -6.792 -17.605   0.571
  286    H    LYS  37           H        LYS  37  -6.159 -12.774  -0.388
  287    HA   LYS  37           HA       LYS  37  -7.309 -11.417   1.953
  288   1HB   LYS  37          1HB       LYS  37  -4.327 -11.807   1.597
  289   2HB   LYS  37          2HB       LYS  37  -5.142 -11.010   2.944
  290   1HG   LYS  37          1HG       LYS  37  -6.406 -13.396   3.013
  291   2HG   LYS  37          2HG       LYS  37  -4.853 -13.910   2.353
  292   1HD   LYS  37          1HD       LYS  37  -4.782 -12.034   4.667
  293   2HD   LYS  37          2HD       LYS  37  -5.276 -13.695   4.996
  294   1HE   LYS  37          1HE       LYS  37  -2.890 -13.336   3.257
  295   2HE   LYS  37          2HE       LYS  37  -2.691 -12.939   4.964
  296   1HZ   LYS  37          1HZ       LYS  37  -3.676 -15.138   5.478
  297   2HZ   LYS  37          2HZ       LYS  37  -3.633 -15.510   3.821
  298   3HZ   LYS  37          3HZ       LYS  37  -2.188 -15.233   4.664
  299    HA   PRO  38           HA       PRO  38  -6.379  -8.522  -1.517
  300   1HB   PRO  38          1HB       PRO  38  -8.861  -7.396  -1.668
  301   2HB   PRO  38          2HB       PRO  38  -8.395  -8.869  -2.532
  302   1HG   PRO  38          1HG       PRO  38 -10.140  -8.559  -0.165
  303   2HG   PRO  38          2HG       PRO  38 -10.110  -9.841  -1.384
  304   1HD   PRO  38          1HD       PRO  38  -9.003  -9.959   1.238
  305   2HD   PRO  38          2HD       PRO  38  -8.793 -11.155  -0.063
  306    H    GLY  39           H        GLY  39  -6.593  -6.116  -1.609
  307   1HA   GLY  39          1HA       GLY  39  -5.743  -4.892   0.785
  308   2HA   GLY  39          2HA       GLY  39  -7.446  -4.514   0.535
  309    H    VAL  40           H        VAL  40  -4.672  -3.072   0.263
  310    HA   VAL  40           HA       VAL  40  -4.883  -2.134  -2.502
  311    HB   VAL  40           HB       VAL  40  -5.028  -0.198  -0.178
  312   1HG1  VAL  40          1HG1      VAL  40  -4.009   0.291  -2.606
  313   2HG1  VAL  40          2HG1      VAL  40  -5.716   0.505  -2.985
  314   3HG1  VAL  40          3HG1      VAL  40  -4.960   1.485  -1.730
  315   1HG2  VAL  40          1HG2      VAL  40  -7.137  -1.383  -1.975
  316   2HG2  VAL  40          2HG2      VAL  40  -7.161  -1.206  -0.221
  317   3HG2  VAL  40          3HG2      VAL  40  -7.351   0.212  -1.254
  318    H    ILE  41           H        ILE  41  -2.992  -1.439  -3.331
  319    HA   ILE  41           HA       ILE  41  -0.640  -1.617  -1.572
  320    HB   ILE  41           HB       ILE  41  -0.999  -1.917  -4.558
  321   1HG1  ILE  41          1HG1      ILE  41   0.239  -4.097  -3.931
  322   2HG1  ILE  41          2HG1      ILE  41  -0.154  -3.678  -2.262
  323   1HG2  ILE  41          1HG2      ILE  41   1.619  -1.811  -3.016
  324   2HG2  ILE  41          2HG2      ILE  41   1.447  -2.237  -4.720
  325   3HG2  ILE  41          3HG2      ILE  41   1.063  -0.602  -4.178
  326   1HD1  ILE  41          1HD1      ILE  41  -2.366  -3.542  -4.257
  327   2HD1  ILE  41          2HD1      ILE  41  -1.810  -5.145  -3.776
  328   3HD1  ILE  41          3HD1      ILE  41  -2.411  -4.019  -2.559
  329    H    PHE  42           H        PHE  42   0.595   0.105  -1.165
  330    HA   PHE  42           HA       PHE  42  -0.229   2.694  -2.272
  331   1HB   PHE  42          1HB       PHE  42   1.506   1.874   0.058
  332   2HB   PHE  42          2HB       PHE  42   1.481   3.533  -0.540
  333    HD1  PHE  42           HD1      PHE  42  -0.670   0.801   0.798
  334    HD2  PHE  42           HD2      PHE  42  -0.315   5.001  -0.033
  335    HE1  PHE  42           HE1      PHE  42  -2.769   1.228   2.051
  336    HE2  PHE  42           HE2      PHE  42  -2.412   5.425   1.221
  337    HZ   PHE  42           HZ       PHE  42  -3.638   3.540   2.264
  338    H    LEU  43           H        LEU  43   1.333   4.164  -3.145
  339    HA   LEU  43           HA       LEU  43   3.790   2.855  -4.156
  340   1HB   LEU  43          1HB       LEU  43   2.442   4.967  -5.767
  341   2HB   LEU  43          2HB       LEU  43   3.500   3.677  -6.289
  342    HG   LEU  43           HG       LEU  43   1.388   2.205  -5.480
  343   1HD1  LEU  43          1HD1      LEU  43   0.359   4.695  -5.120
  344   2HD1  LEU  43          2HD1      LEU  43  -0.101   4.410  -6.798
  345   3HD1  LEU  43          3HD1      LEU  43  -0.624   3.293  -5.537
  346   1HD2  LEU  43          1HD2      LEU  43   1.891   3.605  -8.116
  347   2HD2  LEU  43          2HD2      LEU  43   2.315   1.953  -7.666
  348   3HD2  LEU  43          3HD2      LEU  43   0.626   2.391  -7.925
  349    H    THR  44           H        THR  44   5.377   3.806  -3.010
  350    HA   THR  44           HA       THR  44   5.230   6.465  -2.010
  351    HB   THR  44           HB       THR  44   7.556   6.156  -1.387
  352    HG1  THR  44           HG1      THR  44   7.402   3.816  -2.974
  353   1HG2  THR  44          1HG2      THR  44   5.568   3.989  -0.960
  354   2HG2  THR  44          2HG2      THR  44   7.231   3.641  -0.490
  355   3HG2  THR  44          3HG2      THR  44   6.385   5.017   0.219
  356    H    LYS  45           H        LYS  45   7.136   8.050  -2.553
  357    HA   LYS  45           HA       LYS  45   6.777   8.968  -5.194
  358   1HB   LYS  45          1HB       LYS  45   9.228   9.568  -3.547
  359   2HB   LYS  45          2HB       LYS  45   8.518  10.549  -4.817
  360   1HG   LYS  45          1HG       LYS  45   7.670  10.225  -1.974
  361   2HG   LYS  45          2HG       LYS  45   7.773  11.667  -2.950
  362   1HD   LYS  45          1HD       LYS  45   5.603   9.558  -3.140
  363   2HD   LYS  45          2HD       LYS  45   5.430  11.178  -2.477
  364   1HE   LYS  45          1HE       LYS  45   6.536  11.562  -5.036
  365   2HE   LYS  45          2HE       LYS  45   5.304  10.318  -5.247
  366   1HZ   LYS  45          1HZ       LYS  45   3.864  11.863  -3.826
  367   2HZ   LYS  45          2HZ       LYS  45   5.000  13.064  -4.220
  368   3HZ   LYS  45          3HZ       LYS  45   4.131  12.284  -5.450
  369    H    ARG  46           H        ARG  46   9.715   7.643  -3.733
  370    HA   ARG  46           HA       ARG  46  10.367   6.289  -6.277
  371   1HB   ARG  46          1HB       ARG  46  11.710   8.395  -5.937
  372   2HB   ARG  46          2HB       ARG  46  12.381   7.643  -4.488
  373   1HG   ARG  46          1HG       ARG  46  13.621   6.116  -5.682
  374   2HG   ARG  46          2HG       ARG  46  12.453   6.045  -7.003
  375   1HD   ARG  46          1HD       ARG  46  13.213   8.567  -7.346
  376   2HD   ARG  46          2HD       ARG  46  14.665   8.002  -6.528
  377    HE   ARG  46           HE       ARG  46  14.081   6.155  -8.548
  378   1HH1  ARG  46          1HH1      ARG  46  14.974   9.528  -8.258
  379   2HH1  ARG  46          2HH1      ARG  46  15.782   9.561  -9.788
  380   1HH2  ARG  46          1HH2      ARG  46  15.144   6.243 -10.534
  381   2HH2  ARG  46          2HH2      ARG  46  15.879   7.720 -11.066
  382    H    GLY  47           H        GLY  47   9.594   5.814  -3.118
  383   1HA   GLY  47          1HA       GLY  47   9.994   4.197  -1.550
  384   2HA   GLY  47          2HA       GLY  47  11.610   4.029  -2.218
  385    H    ARG  48           H        ARG  48   8.587   2.613  -1.856
  386    HA   ARG  48           HA       ARG  48   8.756   0.863  -4.181
  387   1HB   ARG  48          1HB       ARG  48   9.611   0.045  -1.458
  388   2HB   ARG  48          2HB       ARG  48   8.581  -1.091  -2.324
  389   1HG   ARG  48          1HG       ARG  48  10.475  -1.795  -3.345
  390   2HG   ARG  48          2HG       ARG  48  10.388  -0.300  -4.274
  391   1HD   ARG  48          1HD       ARG  48  11.789   0.842  -2.629
  392   2HD   ARG  48          2HD       ARG  48  11.812  -0.596  -1.615
  393    HE   ARG  48           HE       ARG  48  12.797  -1.098  -4.276
  394   1HH1  ARG  48          1HH1      ARG  48  13.646   0.121  -1.106
  395   2HH1  ARG  48          2HH1      ARG  48  15.330  -0.226  -1.299
  396   1HH2  ARG  48          1HH2      ARG  48  15.000  -1.535  -4.485
  397   2HH2  ARG  48          2HH2      ARG  48  16.091  -1.156  -3.194
  398    H    GLN  49           H        GLN  49   7.069  -1.091  -3.586
  399    HA   GLN  49           HA       GLN  49   4.562   0.324  -3.025
  400   1HB   GLN  49          1HB       GLN  49   5.306  -2.136  -4.531
  401   2HB   GLN  49          2HB       GLN  49   3.716  -2.104  -3.768
  402   1HG   GLN  49          1HG       GLN  49   3.153  -1.087  -5.752
  403   2HG   GLN  49          2HG       GLN  49   3.687   0.344  -4.871
  404   2HE2  GLN  49          2HE2      GLN  49   4.053  -1.154  -7.806
  405   1HE2  GLN  49          1HE2      GLN  49   5.606  -0.602  -8.213
  406    H    VAL  50           H        VAL  50   2.953  -0.673  -1.628
  407    HA   VAL  50           HA       VAL  50   3.903  -2.715   0.237
  408    HB   VAL  50           HB       VAL  50   3.027   0.013   1.216
  409   1HG1  VAL  50          1HG1      VAL  50   3.732  -2.592   2.549
  410   2HG1  VAL  50          2HG1      VAL  50   4.007  -1.066   3.388
  411   3HG1  VAL  50          3HG1      VAL  50   2.378  -1.511   2.876
  412   1HG2  VAL  50          1HG2      VAL  50   5.739  -1.319   1.046
  413   2HG2  VAL  50          2HG2      VAL  50   5.253   0.224   0.343
  414   3HG2  VAL  50          3HG2      VAL  50   5.413   0.063   2.091
  415    H    CYS  51           H        CYS  51   2.301  -4.015   0.838
  416    HA   CYS  51           HA       CYS  51  -0.404  -3.490  -0.060
  417   1HB   CYS  51          1HB       CYS  51   1.025  -5.789   1.216
  418   2HB   CYS  51          2HB       CYS  51  -0.732  -5.721   1.331
  419    H    ALA  52           H        ALA  52  -1.842  -2.371   1.104
  420    HA   ALA  52           HA       ALA  52  -1.755  -2.595   4.040
  421   1HB   ALA  52          1HB       ALA  52  -0.801  -0.528   4.046
  422   2HB   ALA  52          2HB       ALA  52  -2.465  -0.001   3.801
  423   3HB   ALA  52          3HB       ALA  52  -1.373  -0.145   2.424
  424    H    ASP  53           H        ASP  53  -3.677  -3.029   4.861
  425    HA   ASP  53           HA       ASP  53  -6.033  -2.925   3.148
  426   1HB   ASP  53          1HB       ASP  53  -5.352  -4.178   5.771
  427   2HB   ASP  53          2HB       ASP  53  -7.047  -3.830   5.433
  428    H    LYS  54           H        LYS  54  -7.667  -1.500   3.315
  429    HA   LYS  54           HA       LYS  54  -7.318   0.976   4.581
  430   1HB   LYS  54          1HB       LYS  54  -9.742   1.332   4.110
  431   2HB   LYS  54          2HB       LYS  54  -8.842   0.748   2.710
  432   1HG   LYS  54          1HG       LYS  54  -9.780  -1.382   2.823
  433   2HG   LYS  54          2HG       LYS  54 -10.149  -1.238   4.542
  434   1HD   LYS  54          1HD       LYS  54 -12.269  -0.902   3.724
  435   2HD   LYS  54          2HD       LYS  54 -11.692   0.761   3.621
  436   1HE   LYS  54          1HE       LYS  54 -12.658   0.250   1.487
  437   2HE   LYS  54          2HE       LYS  54 -10.910   0.220   1.262
  438   1HZ   LYS  54          1HZ       LYS  54 -12.404  -2.234   1.939
  439   2HZ   LYS  54          2HZ       LYS  54 -12.271  -1.708   0.329
  440   3HZ   LYS  54          3HZ       LYS  54 -10.875  -2.087   1.221
  441    H    SER  55           H        SER  55  -8.582  -2.027   5.802
  442    HA   SER  55           HA       SER  55 -10.204  -1.151   7.896
  443   1HB   SER  55          1HB       SER  55 -10.150  -3.482   7.393
  444   2HB   SER  55          2HB       SER  55  -8.416  -3.558   7.667
  445    HG   SER  55           HG       SER  55 -10.451  -3.756   9.431
  446    H    LYS  56           H        LYS  56  -6.727  -1.168   7.586
  447    HA   LYS  56           HA       LYS  56  -6.012  -0.943  10.304
  448   1HB   LYS  56          1HB       LYS  56  -4.617   0.268   7.903
  449   2HB   LYS  56          2HB       LYS  56  -3.903  -0.006   9.493
  450   1HG   LYS  56          1HG       LYS  56  -5.171  -2.320   8.074
  451   2HG   LYS  56          2HG       LYS  56  -3.574  -1.780   7.554
  452   1HD   LYS  56          1HD       LYS  56  -4.268  -2.403  10.436
  453   2HD   LYS  56          2HD       LYS  56  -3.537  -3.571   9.337
  454   1HE   LYS  56          1HE       LYS  56  -1.774  -1.684   8.914
  455   2HE   LYS  56          2HE       LYS  56  -2.366  -1.031  10.441
  456   1HZ   LYS  56          1HZ       LYS  56  -2.010  -3.366  11.333
  457   2HZ   LYS  56          2HZ       LYS  56  -1.090  -3.648   9.933
  458   3HZ   LYS  56          3HZ       LYS  56  -0.623  -2.438  11.031
  459    H    ASP  57           H        ASP  57  -4.669   1.280  10.810
  460    HA   ASP  57           HA       ASP  57  -6.770   3.342  10.862
  461   1HB   ASP  57          1HB       ASP  57  -4.392   2.748  12.598
  462   2HB   ASP  57          2HB       ASP  57  -5.108   4.361  12.593
  463    H    TRP  58           H        TRP  58  -3.206   3.281  10.681
  464    HA   TRP  58           HA       TRP  58  -2.942   5.861   9.608
  465   1HB   TRP  58          1HB       TRP  58  -0.669   5.149   8.887
  466   2HB   TRP  58          2HB       TRP  58  -1.015   4.774  10.571
  467    HD1  TRP  58           HD1      TRP  58  -1.469   2.203  11.196
  468    HE1  TRP  58           HE1      TRP  58  -0.712   0.028  10.043
  469    HE3  TRP  58           HE3      TRP  58  -0.187   4.036   6.609
  470    HZ2  TRP  58           HZ2      TRP  58   0.308  -0.828   7.501
  471    HZ3  TRP  58           HZ3      TRP  58   0.680   2.527   4.846
  472    HH2  TRP  58           HH2      TRP  58   0.925   0.101   5.285
  473    H    VAL  59           H        VAL  59  -3.665   2.809   8.084
  474    HA   VAL  59           HA       VAL  59  -3.092   3.638   5.402
  475    HB   VAL  59           HB       VAL  59  -5.000   1.477   6.328
  476   1HG1  VAL  59          1HG1      VAL  59  -3.540   2.008   3.724
  477   2HG1  VAL  59          2HG1      VAL  59  -4.378   0.500   4.092
  478   3HG1  VAL  59          3HG1      VAL  59  -5.284   2.009   3.981
  479   1HG2  VAL  59          1HG2      VAL  59  -2.740   1.196   7.297
  480   2HG2  VAL  59          2HG2      VAL  59  -3.069  -0.037   6.081
  481   3HG2  VAL  59          3HG2      VAL  59  -2.037   1.337   5.687
  482    H    LYS  60           H        LYS  60  -5.862   3.788   7.542
  483    HA   LYS  60           HA       LYS  60  -7.824   4.483   5.618
  484   1HB   LYS  60          1HB       LYS  60  -8.129   3.756   8.088
  485   2HB   LYS  60          2HB       LYS  60  -7.874   5.460   8.464
  486   1HG   LYS  60          1HG       LYS  60  -9.785   6.137   7.246
  487   2HG   LYS  60          2HG       LYS  60  -9.882   4.601   6.383
  488   1HD   LYS  60          1HD       LYS  60 -10.663   3.445   8.303
  489   2HD   LYS  60          2HD       LYS  60 -10.190   4.759   9.382
  490   1HE   LYS  60          1HE       LYS  60 -11.956   6.153   8.644
  491   2HE   LYS  60          2HE       LYS  60 -12.240   5.171   7.207
  492   1HZ   LYS  60          1HZ       LYS  60 -12.567   4.047   9.917
  493   2HZ   LYS  60          2HZ       LYS  60 -13.826   4.908   9.168
  494   3HZ   LYS  60          3HZ       LYS  60 -13.219   3.492   8.453
  495    H    LYS  61           H        LYS  61  -5.752   6.444   7.741
  496    HA   LYS  61           HA       LYS  61  -6.739   8.971   6.994
  497   1HB   LYS  61          1HB       LYS  61  -4.096   8.036   8.086
  498   2HB   LYS  61          2HB       LYS  61  -4.348   9.726   7.651
  499   1HG   LYS  61          1HG       LYS  61  -6.495   9.570   9.087
  500   2HG   LYS  61          2HG       LYS  61  -5.781   8.097   9.746
  501   1HD   LYS  61          1HD       LYS  61  -3.650   9.714   9.971
  502   2HD   LYS  61          2HD       LYS  61  -4.922  10.932  10.076
  503   1HE   LYS  61          1HE       LYS  61  -5.851   9.981  12.011
  504   2HE   LYS  61          2HE       LYS  61  -5.089   8.416  11.721
  505   1HZ   LYS  61          1HZ       LYS  61  -3.627  10.911  12.394
  506   2HZ   LYS  61          2HZ       LYS  61  -4.011   9.684  13.506
  507   3HZ   LYS  61          3HZ       LYS  61  -2.953   9.365  12.215
  508    H    LEU  62           H        LEU  62  -4.089   7.026   5.654
  509    HA   LEU  62           HA       LEU  62  -3.198   8.892   3.731
  510   1HB   LEU  62          1HB       LEU  62  -3.178   5.879   3.635
  511   2HB   LEU  62          2HB       LEU  62  -2.301   6.920   2.536
  512    HG   LEU  62           HG       LEU  62  -1.796   7.212   5.467
  513   1HD1  LEU  62          1HD1      LEU  62  -1.080   4.866   3.739
  514   2HD1  LEU  62          2HD1      LEU  62   0.066   5.416   4.961
  515   3HD1  LEU  62          3HD1      LEU  62  -1.550   4.896   5.438
  516   1HD2  LEU  62          1HD2      LEU  62  -0.169   7.417   2.916
  517   2HD2  LEU  62          2HD2      LEU  62  -0.672   8.739   3.969
  518   3HD2  LEU  62          3HD2      LEU  62   0.527   7.575   4.529
  519    H    MET  63           H        MET  63  -5.621   6.338   3.616
  520    HA   MET  63           HA       MET  63  -6.297   6.397   0.917
  521   1HB   MET  63          1HB       MET  63  -7.846   5.759   3.403
  522   2HB   MET  63          2HB       MET  63  -8.667   5.805   1.844
  523   1HG   MET  63          1HG       MET  63  -6.491   4.338   1.170
  524   2HG   MET  63          2HG       MET  63  -6.644   3.881   2.865
  525   1HE   MET  63          1HE       MET  63  -7.281   3.455  -0.435
  526   2HE   MET  63          2HE       MET  63  -7.395   1.756   0.011
  527   3HE   MET  63          3HE       MET  63  -8.779   2.575  -0.729
  528    H    GLN  64           H        GLN  64  -7.255   8.559   3.520
  529    HA   GLN  64           HA       GLN  64  -9.055  10.035   1.734
  530   1HB   GLN  64          1HB       GLN  64  -8.567   9.982   4.679
  531   2HB   GLN  64          2HB       GLN  64  -9.192  11.469   3.966
  532   1HG   GLN  64          1HG       GLN  64 -10.970  10.058   2.835
  533   2HG   GLN  64          2HG       GLN  64 -10.425   8.708   3.832
  534   2HE2  GLN  64          2HE2      GLN  64 -11.706  12.054   4.077
  535   1HE2  GLN  64          1HE2      GLN  64 -12.405  11.835   5.608
  536    H    GLN  65           H        GLN  65  -5.946  10.319   3.321
  537    HA   GLN  65           HA       GLN  65  -5.577  13.109   2.788
  538   1HB   GLN  65          1HB       GLN  65  -3.835  10.864   3.726
  539   2HB   GLN  65          2HB       GLN  65  -3.080  12.354   3.161
  540   1HG   GLN  65          1HG       GLN  65  -5.016  13.388   4.751
  541   2HG   GLN  65          2HG       GLN  65  -4.720  11.865   5.587
  542   2HE2  GLN  65          2HE2      GLN  65  -2.394  11.421   6.206
  543   1HE2  GLN  65          1HE2      GLN  65  -1.372  12.738   6.524
  544    H    LEU  66           H        LEU  66  -4.956  10.144   1.040
  545    HA   LEU  66           HA       LEU  66  -3.439  11.582  -1.026
  546   1HB   LEU  66          1HB       LEU  66  -4.063   8.640  -0.782
  547   2HB   LEU  66          2HB       LEU  66  -2.964   9.371  -1.927
  548    HG   LEU  66           HG       LEU  66  -2.605   9.281   1.076
  549   1HD1  LEU  66          1HD1      LEU  66  -1.372   7.780  -1.240
  550   2HD1  LEU  66          2HD1      LEU  66  -0.584   7.886   0.335
  551   3HD1  LEU  66          3HD1      LEU  66  -2.163   7.115   0.188
  552   1HD2  LEU  66          1HD2      LEU  66  -1.258  10.772  -1.118
  553   2HD2  LEU  66          2HD2      LEU  66  -1.405  11.177   0.592
  554   3HD2  LEU  66          3HD2      LEU  66  -0.199  10.004   0.064
  555    HA   PRO  67           HA       PRO  67  -6.917  11.699  -3.748
  556   1HB   PRO  67          1HB       PRO  67  -5.732  11.391  -6.197
  557   2HB   PRO  67          2HB       PRO  67  -5.657  12.867  -5.238
  558   1HG   PRO  67          1HG       PRO  67  -3.563  10.829  -5.702
  559   2HG   PRO  67          2HG       PRO  67  -3.398  12.560  -5.369
  560   1HD   PRO  67          1HD       PRO  67  -3.014  10.488  -3.509
  561   2HD   PRO  67          2HD       PRO  67  -3.231  12.208  -3.114
  562    H    VAL  68           H        VAL  68  -4.694   9.313  -5.086
  563    HA   VAL  68           HA       VAL  68  -5.081   6.916  -4.927
  564    HB   VAL  68           HB       VAL  68  -7.519   7.236  -4.259
  565   1HG1  VAL  68          1HG1      VAL  68  -7.933   8.565  -6.503
  566   2HG1  VAL  68          2HG1      VAL  68  -8.169   6.952  -7.176
  567   3HG1  VAL  68          3HG1      VAL  68  -9.194   7.516  -5.857
  568   1HG2  VAL  68          1HG2      VAL  68  -6.394   5.051  -4.748
  569   2HG2  VAL  68          2HG2      VAL  68  -8.128   5.048  -5.068
  570   3HG2  VAL  68          3HG2      VAL  68  -6.986   5.174  -6.404
  571    H    THR  69           H        THR  69  -5.056   5.460  -6.748
  572    HA   THR  69           HA       THR  69  -3.872   6.649  -9.035
  573    HB   THR  69           HB       THR  69  -4.390   4.196  -9.950
  574    HG1  THR  69           HG1      THR  69  -5.767   3.810  -8.108
  575   1HG2  THR  69          1HG2      THR  69  -2.177   5.244  -9.318
  576   2HG2  THR  69          2HG2      THR  69  -2.443   4.650  -7.679
  577   3HG2  THR  69          3HG2      THR  69  -2.281   3.509  -9.013
  578    H    ALA  70           H        ALA  70  -7.083   5.329  -8.388
  579    HA   ALA  70           HA       ALA  70  -9.090   5.577  -9.471
  580   1HB   ALA  70          1HB       ALA  70  -7.553   7.944 -10.344
  581   2HB   ALA  70          2HB       ALA  70  -9.191   7.834  -9.706
  582   3HB   ALA  70          3HB       ALA  70  -8.883   7.484 -11.406
  583    H    ARG  71           H        ARG  71  -6.966   6.468 -12.180
  584    HA   ARG  71           HA       ARG  71  -6.623   5.490 -14.234
  585   1HB   ARG  71          1HB       ARG  71  -5.757   3.626 -12.780
  586   2HB   ARG  71          2HB       ARG  71  -7.359   2.894 -12.869
  587   1HG   ARG  71          1HG       ARG  71  -6.940   3.327 -15.496
  588   2HG   ARG  71          2HG       ARG  71  -5.267   3.134 -14.971
  589   1HD   ARG  71          1HD       ARG  71  -7.539   1.174 -14.562
  590   2HD   ARG  71          2HD       ARG  71  -6.124   0.954 -15.586
  591    HE   ARG  71           HE       ARG  71  -5.051   1.361 -13.111
  592   1HH1  ARG  71          1HH1      ARG  71  -7.496  -0.812 -14.358
  593   2HH1  ARG  71          2HH1      ARG  71  -7.147  -2.050 -13.202
  594   1HH2  ARG  71          1HH2      ARG  71  -4.629  -0.280 -11.622
  595   2HH2  ARG  71          2HH2      ARG  71  -5.538  -1.753 -11.667

  No H/Q in entry =         595
  Start of MODEL   21
    1    H1   LEU   1           H1       LEU   1   6.505 -23.985   2.492
    2    H2   LEU   1           H2       LEU   1   6.978 -22.650   1.559
    3    H3   LEU   1           H3       LEU   1   7.597 -24.194   1.207
    4    HA   LEU   1           HA       LEU   1   8.964 -24.234   3.064
    5   1HB   LEU   1          1HB       LEU   1   9.256 -22.272   1.204
    6   2HB   LEU   1          2HB       LEU   1   9.152 -21.295   2.665
    7    HG   LEU   1           HG       LEU   1  11.492 -21.865   2.181
    8   1HD1  LEU   1          1HD1      LEU   1  10.444 -21.873   4.585
    9   2HD1  LEU   1          2HD1      LEU   1  10.747 -23.609   4.514
   10   3HD1  LEU   1          3HD1      LEU   1  12.087 -22.473   4.357
   11   1HD2  LEU   1          1HD2      LEU   1  10.683 -24.125   1.086
   12   2HD2  LEU   1          2HD2      LEU   1  12.269 -24.038   1.853
   13   3HD2  LEU   1          3HD2      LEU   1  10.912 -24.764   2.714
   14    H    GLY   2           H        GLY   2   7.276 -21.101   3.333
   15   1HA   GLY   2          1HA       GLY   2   7.459 -20.203   5.741
   16   2HA   GLY   2          2HA       GLY   2   6.675 -21.724   6.157
   17    H    ALA   3           H        ALA   3   4.519 -22.100   5.429
   18    HA   ALA   3           HA       ALA   3   2.328 -21.500   5.075
   19   1HB   ALA   3          1HB       ALA   3   3.005 -18.620   5.560
   20   2HB   ALA   3          2HB       ALA   3   3.111 -19.771   6.892
   21   3HB   ALA   3          3HB       ALA   3   1.578 -19.532   6.055
   22    H    SER   4           H        SER   4   4.225 -21.486   2.875
   23    HA   SER   4           HA       SER   4   4.287 -20.945   0.641
   24   1HB   SER   4          1HB       SER   4   1.678 -21.255   1.154
   25   2HB   SER   4          2HB       SER   4   1.665 -19.540   0.755
   26    HG   SER   4           HG       SER   4   1.429 -21.117  -1.032
   27    H    TRP   5           H        TRP   5   5.941 -19.444   0.753
   28    HA   TRP   5           HA       TRP   5   5.077 -16.641   0.479
   29   1HB   TRP   5          1HB       TRP   5   5.950 -17.117   2.827
   30   2HB   TRP   5          2HB       TRP   5   7.521 -17.404   2.079
   31    HD1  TRP   5           HD1      TRP   5   5.216 -14.677   3.184
   32    HE1  TRP   5           HE1      TRP   5   6.248 -12.379   2.639
   33    HE3  TRP   5           HE3      TRP   5   9.097 -16.138   0.205
   34    HZ2  TRP   5           HZ2      TRP   5   8.433 -11.303   1.138
   35    HZ3  TRP   5           HZ3      TRP   5  10.637 -14.458  -0.768
   36    HH2  TRP   5           HH2      TRP   5  10.310 -12.045  -0.306
   37    H    HIS   6           H        HIS   6   5.741 -15.961  -1.438
   38    HA   HIS   6           HA       HIS   6   8.428 -16.007  -2.290
   39   1HB   HIS   6          1HB       HIS   6   7.640 -18.478  -2.606
   40   2HB   HIS   6          2HB       HIS   6   6.778 -17.837  -4.004
   41    HD1  HIS   6           HD1      HIS   6   9.232 -19.772  -4.293
   42    HD2  HIS   6           HD2      HIS   6   9.448 -15.615  -4.524
   43    HE1  HIS   6           HE1      HIS   6  11.331 -19.235  -5.606
   44    H    ARG   7           H        ARG   7   8.217 -13.950  -2.979
   45    HA   ARG   7           HA       ARG   7   7.632 -12.176  -4.320
   46   1HB   ARG   7          1HB       ARG   7   7.088 -14.556  -6.027
   47   2HB   ARG   7          2HB       ARG   7   6.414 -13.012  -6.550
   48   1HG   ARG   7          1HG       ARG   7   8.585 -11.977  -6.569
   49   2HG   ARG   7          2HG       ARG   7   9.319 -13.371  -5.774
   50   1HD   ARG   7          1HD       ARG   7   7.955 -13.550  -8.466
   51   2HD   ARG   7          2HD       ARG   7   9.677 -13.229  -8.290
   52    HE   ARG   7           HE       ARG   7   9.117 -15.516  -6.785
   53   1HH1  ARG   7          1HH1      ARG   7   8.995 -14.505 -10.135
   54   2HH1  ARG   7          2HH1      ARG   7   9.284 -16.099 -10.744
   55   1HH2  ARG   7          1HH2      ARG   7   9.490 -17.577  -7.622
   56   2HH2  ARG   7          2HH2      ARG   7   9.561 -17.824  -9.335
   57    HA   PRO   8           HA       PRO   8   3.371 -11.329  -3.517
   58   1HB   PRO   8          1HB       PRO   8   2.833  -9.335  -5.305
   59   2HB   PRO   8          2HB       PRO   8   3.848  -9.120  -3.872
   60   1HG   PRO   8          1HG       PRO   8   4.633  -9.295  -6.718
   61   2HG   PRO   8          2HG       PRO   8   5.467  -8.519  -5.363
   62   1HD   PRO   8          1HD       PRO   8   6.095 -11.040  -6.527
   63   2HD   PRO   8          2HD       PRO   8   6.780 -10.356  -5.034
   64    H    ASP   9           H        ASP   9   1.157 -11.369  -4.333
   65    HA   ASP   9           HA       ASP   9   0.865 -12.728  -6.946
   66   1HB   ASP   9          1HB       ASP   9  -0.161 -13.532  -4.257
   67   2HB   ASP   9          2HB       ASP   9  -1.181 -13.831  -5.665
   68    H    LYS  10           H        LYS  10   0.581  -9.925  -6.285
   69    HA   LYS  10           HA       LYS  10  -0.814  -8.192  -6.860
   70   1HB   LYS  10          1HB       LYS  10  -1.547  -9.749  -8.715
   71   2HB   LYS  10          2HB       LYS  10  -2.871 -10.254  -7.664
   72   1HG   LYS  10          1HG       LYS  10  -3.998  -8.280  -7.905
   73   2HG   LYS  10          2HG       LYS  10  -2.517  -7.323  -7.949
   74   1HD   LYS  10          1HD       LYS  10  -3.117  -7.113 -10.157
   75   2HD   LYS  10          2HD       LYS  10  -2.221  -8.628 -10.276
   76   1HE   LYS  10          1HE       LYS  10  -4.308  -9.901 -10.032
   77   2HE   LYS  10          2HE       LYS  10  -5.218  -8.400  -9.864
   78   1HZ   LYS  10          1HZ       LYS  10  -3.508  -8.832 -12.221
   79   2HZ   LYS  10          2HZ       LYS  10  -5.056  -9.528 -12.162
   80   3HZ   LYS  10          3HZ       LYS  10  -4.881  -7.845 -12.058
   81    H    CYS  11           H        CYS  11  -3.031 -10.732  -5.715
   82    HA   CYS  11           HA       CYS  11  -4.735  -9.083  -4.251
   83   1HB   CYS  11          1HB       CYS  11  -4.003 -11.942  -3.577
   84   2HB   CYS  11          2HB       CYS  11  -5.463 -11.088  -3.081
   85    H    CYS  12           H        CYS  12  -1.620 -10.430  -3.397
   86    HA   CYS  12           HA       CYS  12  -0.221 -10.064  -1.612
   87   1HB   CYS  12          1HB       CYS  12  -1.143  -7.626  -2.193
   88   2HB   CYS  12          2HB       CYS  12  -1.873  -7.800  -0.598
   89    H    LEU  13           H        LEU  13  -0.294 -11.548  -0.069
   90    HA   LEU  13           HA       LEU  13  -2.726 -11.992   1.472
   91   1HB   LEU  13          1HB       LEU  13  -0.104 -13.365   1.943
   92   2HB   LEU  13          2HB       LEU  13  -1.722 -13.955   2.262
   93    HG   LEU  13           HG       LEU  13  -0.834 -13.442  -0.563
   94   1HD1  LEU  13          1HD1      LEU  13  -0.016 -15.652   1.283
   95   2HD1  LEU  13          2HD1      LEU  13  -0.376 -16.055  -0.396
   96   3HD1  LEU  13          3HD1      LEU  13   0.894 -14.889  -0.021
   97   1HD2  LEU  13          1HD2      LEU  13  -3.216 -13.916  -0.069
   98   2HD2  LEU  13          2HD2      LEU  13  -2.485 -15.220  -1.004
   99   3HD2  LEU  13          3HD2      LEU  13  -2.745 -15.417   0.729
  100    H    GLY  14           H        GLY  14   0.483 -10.645   1.890
  101   1HA   GLY  14          1HA       GLY  14   1.505 -10.144   4.029
  102   2HA   GLY  14          2HA       GLY  14  -0.106 -10.115   4.739
  103    H    TYR  15           H        TYR  15   0.511  -8.016   5.590
  104    HA   TYR  15           HA       TYR  15   0.576  -5.850   3.587
  105   1HB   TYR  15          1HB       TYR  15  -1.261  -5.993   5.991
  106   2HB   TYR  15          2HB       TYR  15  -1.024  -4.559   4.993
  107    HD1  TYR  15           HD1      TYR  15  -2.020  -8.159   4.803
  108    HD2  TYR  15           HD2      TYR  15  -2.265  -4.263   3.015
  109    HE1  TYR  15           HE1      TYR  15  -3.693  -9.009   3.182
  110    HE2  TYR  15           HE2      TYR  15  -3.938  -5.111   1.393
  111    HH   TYR  15           HH       TYR  15  -5.563  -8.007   1.776
  112    H    GLN  16           H        GLN  16   0.987  -3.686   4.780
  113    HA   GLN  16           HA       GLN  16   3.480  -3.920   6.132
  114   1HB   GLN  16          1HB       GLN  16   2.410  -1.908   4.759
  115   2HB   GLN  16          2HB       GLN  16   1.891  -1.408   6.364
  116   1HG   GLN  16          1HG       GLN  16   4.025  -0.393   6.025
  117   2HG   GLN  16          2HG       GLN  16   4.302  -1.751   7.113
  118   2HE2  GLN  16          2HE2      GLN  16   6.399  -0.688   5.467
  119   1HE2  GLN  16          1HE2      GLN  16   6.820  -1.867   4.321
  120    H    LYS  17           H        LYS  17   3.777  -4.507   8.159
  121    HA   LYS  17           HA       LYS  17   1.636  -4.422  10.096
  122   1HB   LYS  17          1HB       LYS  17   3.561  -6.167   9.901
  123   2HB   LYS  17          2HB       LYS  17   4.507  -4.972  10.789
  124   1HG   LYS  17          1HG       LYS  17   2.305  -4.949  12.318
  125   2HG   LYS  17          2HG       LYS  17   2.173  -6.592  11.691
  126   1HD   LYS  17          1HD       LYS  17   4.780  -5.581  12.811
  127   2HD   LYS  17          2HD       LYS  17   3.532  -6.228  13.876
  128   1HE   LYS  17          1HE       LYS  17   4.620  -8.198  13.422
  129   2HE   LYS  17          2HE       LYS  17   3.549  -8.177  12.021
  130   1HZ   LYS  17          1HZ       LYS  17   6.233  -6.927  11.981
  131   2HZ   LYS  17          2HZ       LYS  17   5.985  -8.557  11.569
  132   3HZ   LYS  17          3HZ       LYS  17   5.242  -7.326  10.663
  133    H    ARG  18           H        ARG  18   3.975  -2.182   9.029
  134    HA   ARG  18           HA       ARG  18   3.683  -0.642  11.537
  135   1HB   ARG  18          1HB       ARG  18   6.011  -0.785   9.613
  136   2HB   ARG  18          2HB       ARG  18   5.843   0.481  10.831
  137   1HG   ARG  18          1HG       ARG  18   5.607  -1.378  12.556
  138   2HG   ARG  18          2HG       ARG  18   6.112  -2.497  11.290
  139   1HD   ARG  18          1HD       ARG  18   8.134  -0.953  10.957
  140   2HD   ARG  18          2HD       ARG  18   7.678  -0.210  12.487
  141    HE   ARG  18           HE       ARG  18   7.872  -3.068  12.696
  142   1HH1  ARG  18          1HH1      ARG  18   9.742  -0.109  12.630
  143   2HH1  ARG  18          2HH1      ARG  18  11.052  -0.783  13.536
  144   1HH2  ARG  18          1HH2      ARG  18   9.603  -3.906  13.874
  145   2HH2  ARG  18          2HH2      ARG  18  10.975  -2.915  14.236
  146    HA   PRO  19           HA       PRO  19   1.880   2.453   8.948
  147   1HB   PRO  19          1HB       PRO  19   2.204   4.646  10.544
  148   2HB   PRO  19          2HB       PRO  19   1.027   3.363  10.860
  149   1HG   PRO  19          1HG       PRO  19   3.554   3.965  12.256
  150   2HG   PRO  19          2HG       PRO  19   2.126   3.095  12.833
  151   1HD   PRO  19          1HD       PRO  19   4.586   1.955  11.927
  152   2HD   PRO  19          2HD       PRO  19   3.095   1.088  12.361
  153    H    LEU  20           H        LEU  20   2.492   3.687   7.255
  154    HA   LEU  20           HA       LEU  20   5.281   4.639   7.173
  155   1HB   LEU  20          1HB       LEU  20   3.530   4.704   4.770
  156   2HB   LEU  20          2HB       LEU  20   5.252   4.417   4.888
  157    HG   LEU  20           HG       LEU  20   3.025   2.453   5.464
  158   1HD1  LEU  20          1HD1      LEU  20   3.978   3.094   3.069
  159   2HD1  LEU  20          2HD1      LEU  20   5.293   2.025   3.556
  160   3HD1  LEU  20          3HD1      LEU  20   3.640   1.415   3.485
  161   1HD2  LEU  20          1HD2      LEU  20   5.864   2.522   6.305
  162   2HD2  LEU  20          2HD2      LEU  20   4.512   1.615   6.980
  163   3HD2  LEU  20          3HD2      LEU  20   5.351   1.014   5.551
  164    HA   PRO  21           HA       PRO  21   3.731   8.800   7.303
  165   1HB   PRO  21          1HB       PRO  21   5.982  10.122   6.494
  166   2HB   PRO  21          2HB       PRO  21   5.795   9.390   8.098
  167   1HG   PRO  21          1HG       PRO  21   7.434   8.490   5.809
  168   2HG   PRO  21          2HG       PRO  21   7.630   8.159   7.536
  169   1HD   PRO  21          1HD       PRO  21   6.519   6.411   5.568
  170   2HD   PRO  21          2HD       PRO  21   6.566   6.153   7.328
  171    H    GLN  22           H        GLN  22   2.525   9.995   5.934
  172    HA   GLN  22           HA       GLN  22   2.560   9.526   3.110
  173   1HB   GLN  22          1HB       GLN  22   0.565  10.208   4.592
  174   2HB   GLN  22          2HB       GLN  22   1.192  11.850   4.446
  175   1HG   GLN  22          1HG       GLN  22   0.972  10.301   1.919
  176   2HG   GLN  22          2HG       GLN  22  -0.547  10.782   2.673
  177   2HE2  GLN  22          2HE2      GLN  22  -0.140  13.270   3.663
  178   1HE2  GLN  22          1HE2      GLN  22   0.396  14.345   2.463
  179    H    VAL  23           H        VAL  23   4.466  11.497   5.102
  180    HA   VAL  23           HA       VAL  23   4.799  13.870   3.730
  181    HB   VAL  23           HB       VAL  23   5.815  13.354   5.918
  182   1HG1  VAL  23          1HG1      VAL  23   6.631  11.023   4.833
  183   2HG1  VAL  23          2HG1      VAL  23   8.114  11.961   4.651
  184   3HG1  VAL  23          3HG1      VAL  23   7.402  11.738   6.249
  185   1HG2  VAL  23          1HG2      VAL  23   6.753  15.068   4.138
  186   2HG2  VAL  23          2HG2      VAL  23   7.651  14.743   5.621
  187   3HG2  VAL  23          3HG2      VAL  23   8.128  13.963   4.112
  188    H    LEU  24           H        LEU  24   5.801  10.676   2.764
  189    HA   LEU  24           HA       LEU  24   7.119  11.888   0.414
  190   1HB   LEU  24          1HB       LEU  24   8.907  10.414   0.455
  191   2HB   LEU  24          2HB       LEU  24   8.720  10.906   2.119
  192    HG   LEU  24           HG       LEU  24   9.172   8.620   2.262
  193   1HD1  LEU  24          1HD1      LEU  24   7.055   9.298   3.467
  194   2HD1  LEU  24          2HD1      LEU  24   6.150   8.609   2.119
  195   3HD1  LEU  24          3HD1      LEU  24   7.184   7.577   3.106
  196   1HD2  LEU  24          1HD2      LEU  24   8.586   8.465  -0.345
  197   2HD2  LEU  24          2HD2      LEU  24   8.670   7.029   0.677
  198   3HD2  LEU  24          3HD2      LEU  24   7.106   7.749   0.295
  199    H    LEU  25           H        LEU  25   4.533  10.066   1.357
  200    HA   LEU  25           HA       LEU  25   4.609   7.986  -0.608
  201   1HB   LEU  25          1HB       LEU  25   3.118   8.376   1.581
  202   2HB   LEU  25          2HB       LEU  25   2.015   9.022   0.390
  203    HG   LEU  25           HG       LEU  25   1.927   6.895  -0.760
  204   1HD1  LEU  25          1HD1      LEU  25   4.306   6.355   0.934
  205   2HD1  LEU  25          2HD1      LEU  25   3.200   5.000   0.705
  206   3HD1  LEU  25          3HD1      LEU  25   3.932   5.788  -0.693
  207   1HD2  LEU  25          1HD2      LEU  25   1.565   6.925   2.223
  208   2HD2  LEU  25          2HD2      LEU  25   0.339   6.899   0.955
  209   3HD2  LEU  25          3HD2      LEU  25   1.256   5.438   1.325
  210    H    SER  26           H        SER  26   2.782   7.859  -2.277
  211    HA   SER  26           HA       SER  26   2.506  10.486  -3.620
  212   1HB   SER  26          1HB       SER  26   4.053   8.524  -4.602
  213   2HB   SER  26          2HB       SER  26   2.506   8.015  -5.272
  214    HG   SER  26           HG       SER  26   3.965   9.697  -6.387
  215    H    SER  27           H        SER  27   1.199   7.186  -4.015
  216    HA   SER  27           HA       SER  27  -1.496   8.068  -3.425
  217   1HB   SER  27          1HB       SER  27  -1.286   6.890  -6.135
  218   2HB   SER  27          2HB       SER  27  -2.427   8.073  -5.508
  219    HG   SER  27           HG       SER  27  -1.140   9.612  -6.139
  220    H    TRP  28           H        TRP  28  -2.933   6.034  -4.574
  221    HA   TRP  28           HA       TRP  28  -1.609   3.509  -3.884
  222   1HB   TRP  28          1HB       TRP  28  -3.567   2.858  -2.450
  223   2HB   TRP  28          2HB       TRP  28  -2.555   4.123  -1.756
  224    HD1  TRP  28           HD1      TRP  28  -3.508   6.611  -1.745
  225    HE1  TRP  28           HE1      TRP  28  -5.914   7.525  -1.888
  226    HE3  TRP  28           HE3      TRP  28  -5.935   2.461  -3.485
  227    HZ2  TRP  28           HZ2      TRP  28  -8.518   6.615  -2.636
  228    HZ3  TRP  28           HZ3      TRP  28  -8.372   2.517  -3.907
  229    HH2  TRP  28           HH2      TRP  28  -9.668   4.587  -3.485
  230    H    TYR  29           H        TYR  29  -2.386   1.776  -4.999
  231    HA   TYR  29           HA       TYR  29  -4.716   2.291  -6.745
  232   1HB   TYR  29          1HB       TYR  29  -3.733   1.047  -8.504
  233   2HB   TYR  29          2HB       TYR  29  -2.451   2.090  -7.907
  234    HD1  TYR  29           HD1      TYR  29  -3.700  -1.364  -8.113
  235    HD2  TYR  29           HD2      TYR  29  -0.534   1.157  -6.670
  236    HE1  TYR  29           HE1      TYR  29  -2.280  -3.360  -7.741
  237    HE2  TYR  29           HE2      TYR  29   0.885  -0.841  -6.301
  238    HH   TYR  29           HH       TYR  29   0.438  -3.688  -7.648
  239    HA   PRO  30           HA       PRO  30  -6.453  -1.225  -4.680
  240   1HB   PRO  30          1HB       PRO  30  -8.582  -1.679  -6.333
  241   2HB   PRO  30          2HB       PRO  30  -8.501  -0.341  -5.176
  242   1HG   PRO  30          1HG       PRO  30  -8.253  -0.292  -8.123
  243   2HG   PRO  30          2HG       PRO  30  -8.771   0.985  -7.013
  244   1HD   PRO  30          1HD       PRO  30  -6.217   0.739  -8.239
  245   2HD   PRO  30          2HD       PRO  30  -6.672   1.877  -6.948
  246    H    THR  31           H        THR  31  -6.660  -3.483  -4.818
  247    HA   THR  31           HA       THR  31  -5.449  -4.694  -7.227
  248    HB   THR  31           HB       THR  31  -4.152  -5.018  -5.158
  249    HG1  THR  31           HG1      THR  31  -4.211  -7.356  -5.228
  250   1HG2  THR  31          1HG2      THR  31  -6.683  -5.287  -3.965
  251   2HG2  THR  31          2HG2      THR  31  -5.948  -6.888  -3.859
  252   3HG2  THR  31          3HG2      THR  31  -5.116  -5.488  -3.181
  253    H    SER  32           H        SER  32  -6.136  -7.294  -6.940
  254    HA   SER  32           HA       SER  32  -8.741  -7.423  -7.989
  255   1HB   SER  32          1HB       SER  32  -6.749  -9.415  -7.027
  256   2HB   SER  32          2HB       SER  32  -8.416  -9.954  -7.202
  257    HG   SER  32           HG       SER  32  -7.499 -10.231  -9.174
  258    H    GLN  33           H        GLN  33 -10.675  -8.244  -7.127
  259    HA   GLN  33           HA       GLN  33 -10.948  -7.806  -4.228
  260   1HB   GLN  33          1HB       GLN  33 -12.765  -7.524  -6.568
  261   2HB   GLN  33          2HB       GLN  33 -13.490  -8.012  -5.036
  262   1HG   GLN  33          1HG       GLN  33 -11.659  -5.618  -5.347
  263   2HG   GLN  33          2HG       GLN  33 -13.421  -5.520  -5.372
  264   2HE2  GLN  33          2HE2      GLN  33 -11.138  -4.721  -3.321
  265   1HE2  GLN  33          1HE2      GLN  33 -11.774  -5.269  -1.845
  266    H    LEU  34           H        LEU  34 -11.309 -10.213  -6.736
  267    HA   LEU  34           HA       LEU  34 -12.666 -12.094  -4.983
  268   1HB   LEU  34          1HB       LEU  34 -11.532 -12.463  -7.756
  269   2HB   LEU  34          2HB       LEU  34 -12.493 -13.641  -6.892
  270    HG   LEU  34           HG       LEU  34 -13.943 -12.598  -8.462
  271   1HD1  LEU  34          1HD1      LEU  34 -14.606 -12.721  -5.902
  272   2HD1  LEU  34          2HD1      LEU  34 -14.603 -10.964  -6.038
  273   3HD1  LEU  34          3HD1      LEU  34 -15.669 -11.925  -7.063
  274   1HD2  LEU  34          1HD2      LEU  34 -12.293 -10.541  -8.563
  275   2HD2  LEU  34          2HD2      LEU  34 -13.996 -10.324  -8.963
  276   3HD2  LEU  34          3HD2      LEU  34 -13.397  -9.855  -7.372
  277    H    CYS  35           H        CYS  35 -10.578 -11.566  -3.573
  278    HA   CYS  35           HA       CYS  35  -8.688 -13.794  -4.055
  279   1HB   CYS  35          1HB       CYS  35  -8.020 -11.143  -2.750
  280   2HB   CYS  35          2HB       CYS  35  -6.904 -12.470  -3.068
  281    H    SER  36           H        SER  36  -7.544 -14.425  -1.975
  282    HA   SER  36           HA       SER  36  -9.452 -15.250  -0.065
  283   1HB   SER  36          1HB       SER  36  -6.436 -15.163  -0.007
  284   2HB   SER  36          2HB       SER  36  -7.388 -15.793   1.336
  285    HG   SER  36           HG       SER  36  -6.916 -16.839  -1.180
  286    H    LYS  37           H        LYS  37  -7.281 -12.500  -0.220
  287    HA   LYS  37           HA       LYS  37  -8.812 -11.003   1.663
  288   1HB   LYS  37          1HB       LYS  37  -7.032 -10.758   3.391
  289   2HB   LYS  37          2HB       LYS  37  -7.701 -12.389   3.324
  290   1HG   LYS  37          1HG       LYS  37  -5.720 -12.750   1.583
  291   2HG   LYS  37          2HG       LYS  37  -5.004 -11.410   2.480
  292   1HD   LYS  37          1HD       LYS  37  -5.260 -12.629   4.580
  293   2HD   LYS  37          2HD       LYS  37  -6.077 -13.948   3.743
  294   1HE   LYS  37          1HE       LYS  37  -4.001 -14.237   2.339
  295   2HE   LYS  37          2HE       LYS  37  -3.201 -13.066   3.388
  296   1HZ   LYS  37          1HZ       LYS  37  -4.504 -15.545   4.369
  297   2HZ   LYS  37          2HZ       LYS  37  -2.847 -15.424   4.026
  298   3HZ   LYS  37          3HZ       LYS  37  -3.530 -14.474   5.258
  299    HA   PRO  38           HA       PRO  38  -5.987  -8.634  -1.145
  300   1HB   PRO  38          1HB       PRO  38  -7.924  -7.379  -2.603
  301   2HB   PRO  38          2HB       PRO  38  -7.259  -8.967  -3.014
  302   1HG   PRO  38          1HG       PRO  38  -9.902  -8.277  -1.884
  303   2HG   PRO  38          2HG       PRO  38  -9.412  -9.694  -2.821
  304   1HD   PRO  38          1HD       PRO  38  -9.775  -9.556   0.004
  305   2HD   PRO  38          2HD       PRO  38  -9.097 -10.917  -0.921
  306    H    GLY  39           H        GLY  39  -5.845  -6.245  -1.482
  307   1HA   GLY  39          1HA       GLY  39  -5.791  -4.713   0.724
  308   2HA   GLY  39          2HA       GLY  39  -7.474  -4.547   0.230
  309    H    VAL  40           H        VAL  40  -4.605  -3.046   0.079
  310    HA   VAL  40           HA       VAL  40  -4.708  -2.194  -2.709
  311    HB   VAL  40           HB       VAL  40  -5.084  -0.170  -0.490
  312   1HG1  VAL  40          1HG1      VAL  40  -3.921   0.240  -2.880
  313   2HG1  VAL  40          2HG1      VAL  40  -5.611   0.410  -3.354
  314   3HG1  VAL  40          3HG1      VAL  40  -4.938   1.448  -2.097
  315   1HG2  VAL  40          1HG2      VAL  40  -7.031  -1.392  -2.457
  316   2HG2  VAL  40          2HG2      VAL  40  -7.145  -1.388  -0.697
  317   3HG2  VAL  40          3HG2      VAL  40  -7.349   0.114  -1.598
  318    H    ILE  41           H        ILE  41  -2.783  -1.514  -3.445
  319    HA   ILE  41           HA       ILE  41  -0.549  -1.511  -1.529
  320    HB   ILE  41           HB       ILE  41  -0.697  -1.952  -4.516
  321   1HG1  ILE  41          1HG1      ILE  41   0.532  -4.081  -3.703
  322   2HG1  ILE  41          2HG1      ILE  41  -0.015  -3.606  -2.095
  323   1HG2  ILE  41          1HG2      ILE  41   1.701  -1.403  -2.768
  324   2HG2  ILE  41          2HG2      ILE  41   1.845  -2.419  -4.202
  325   3HG2  ILE  41          3HG2      ILE  41   1.325  -0.740  -4.360
  326   1HD1  ILE  41          1HD1      ILE  41  -1.996  -3.671  -4.347
  327   2HD1  ILE  41          2HD1      ILE  41  -1.519  -5.185  -3.579
  328   3HD1  ILE  41          3HD1      ILE  41  -2.264  -3.905  -2.620
  329    H    PHE  42           H        PHE  42   0.760   0.226  -1.271
  330    HA   PHE  42           HA       PHE  42  -0.163   2.759  -2.441
  331   1HB   PHE  42          1HB       PHE  42   1.438   2.004  -0.024
  332   2HB   PHE  42          2HB       PHE  42   1.654   3.608  -0.724
  333    HD1  PHE  42           HD1      PHE  42  -0.713   1.318   0.925
  334    HD2  PHE  42           HD2      PHE  42  -0.147   5.244  -0.718
  335    HE1  PHE  42           HE1      PHE  42  -2.803   2.078   2.018
  336    HE2  PHE  42           HE2      PHE  42  -2.237   6.004   0.376
  337    HZ   PHE  42           HZ       PHE  42  -3.564   4.420   1.748
  338    H    LEU  43           H        LEU  43   1.319   4.246  -3.364
  339    HA   LEU  43           HA       LEU  43   3.835   3.028  -4.343
  340   1HB   LEU  43          1HB       LEU  43   1.698   4.537  -5.770
  341   2HB   LEU  43          2HB       LEU  43   3.354   4.792  -6.272
  342    HG   LEU  43           HG       LEU  43   3.592   2.469  -6.875
  343   1HD1  LEU  43          1HD1      LEU  43   0.926   2.202  -5.485
  344   2HD1  LEU  43          2HD1      LEU  43   1.454   1.021  -6.683
  345   3HD1  LEU  43          3HD1      LEU  43   2.402   1.273  -5.218
  346   1HD2  LEU  43          1HD2      LEU  43   0.927   3.590  -7.792
  347   2HD2  LEU  43          2HD2      LEU  43   2.497   3.931  -8.518
  348   3HD2  LEU  43          3HD2      LEU  43   1.819   2.304  -8.604
  349    H    THR  44           H        THR  44   5.275   4.013  -2.946
  350    HA   THR  44           HA       THR  44   5.050   6.705  -2.067
  351    HB   THR  44           HB       THR  44   7.384   6.459  -1.346
  352    HG1  THR  44           HG1      THR  44   7.254   4.023  -2.791
  353   1HG2  THR  44          1HG2      THR  44   5.414   4.248  -0.892
  354   2HG2  THR  44          2HG2      THR  44   7.030   4.105  -0.201
  355   3HG2  THR  44          3HG2      THR  44   6.001   5.469   0.236
  356    H    LYS  45           H        LYS  45   6.696   8.410  -2.591
  357    HA   LYS  45           HA       LYS  45   6.571   9.129  -5.303
  358   1HB   LYS  45          1HB       LYS  45   8.362  10.077  -3.062
  359   2HB   LYS  45          2HB       LYS  45   8.401  10.786  -4.677
  360   1HG   LYS  45          1HG       LYS  45   6.300  11.725  -4.469
  361   2HG   LYS  45          2HG       LYS  45   5.740  10.483  -3.350
  362   1HD   LYS  45          1HD       LYS  45   6.012  12.202  -1.844
  363   2HD   LYS  45          2HD       LYS  45   7.656  11.565  -1.817
  364   1HE   LYS  45          1HE       LYS  45   8.009  13.856  -2.178
  365   2HE   LYS  45          2HE       LYS  45   8.058  13.201  -3.814
  366   1HZ   LYS  45          1HZ       LYS  45   5.685  13.746  -4.021
  367   2HZ   LYS  45          2HZ       LYS  45   5.726  14.473  -2.489
  368   3HZ   LYS  45          3HZ       LYS  45   6.646  15.123  -3.760
  369    H    ARG  46           H        ARG  46   9.402   8.042  -3.432
  370    HA   ARG  46           HA       ARG  46  10.521   6.903  -5.920
  371   1HB   ARG  46          1HB       ARG  46  11.599   9.092  -5.281
  372   2HB   ARG  46          2HB       ARG  46  12.148   8.298  -3.803
  373   1HG   ARG  46          1HG       ARG  46  13.586   6.860  -4.946
  374   2HG   ARG  46          2HG       ARG  46  12.691   7.006  -6.458
  375   1HD   ARG  46          1HD       ARG  46  13.514   9.237  -6.819
  376   2HD   ARG  46          2HD       ARG  46  14.215   9.300  -5.206
  377    HE   ARG  46           HE       ARG  46  15.460   7.163  -6.385
  378   1HH1  ARG  46          1HH1      ARG  46  15.018  10.526  -7.252
  379   2HH1  ARG  46          2HH1      ARG  46  16.507  10.612  -8.129
  380   1HH2  ARG  46          1HH2      ARG  46  17.394   7.321  -7.537
  381   2HH2  ARG  46          2HH2      ARG  46  17.842   8.815  -8.290
  382    H    GLY  47           H        GLY  47   9.388   6.150  -2.928
  383   1HA   GLY  47          1HA       GLY  47   9.844   4.531  -1.350
  384   2HA   GLY  47          2HA       GLY  47  11.484   4.435  -1.979
  385    H    ARG  48           H        ARG  48   8.517   2.887  -1.740
  386    HA   ARG  48           HA       ARG  48   8.799   1.257  -4.141
  387   1HB   ARG  48          1HB       ARG  48   9.765   0.397  -1.493
  388   2HB   ARG  48          2HB       ARG  48   8.690  -0.757  -2.275
  389   1HG   ARG  48          1HG       ARG  48  10.804   0.471  -3.976
  390   2HG   ARG  48          2HG       ARG  48  11.335  -0.696  -2.765
  391   1HD   ARG  48          1HD       ARG  48  10.880  -2.033  -4.649
  392   2HD   ARG  48          2HD       ARG  48   9.430  -2.195  -3.665
  393    HE   ARG  48           HE       ARG  48   9.262  -0.046  -5.585
  394   1HH1  ARG  48          1HH1      ARG  48   8.849  -3.487  -5.091
  395   2HH1  ARG  48          2HH1      ARG  48   7.722  -3.653  -6.393
  396   1HH2  ARG  48          1HH2      ARG  48   7.789  -0.308  -7.273
  397   2HH2  ARG  48          2HH2      ARG  48   7.126  -1.870  -7.618
  398    H    GLN  49           H        GLN  49   7.226  -0.846  -3.566
  399    HA   GLN  49           HA       GLN  49   4.629   0.417  -3.117
  400   1HB   GLN  49          1HB       GLN  49   5.560  -2.099  -4.425
  401   2HB   GLN  49          2HB       GLN  49   3.925  -2.053  -3.771
  402   1HG   GLN  49          1HG       GLN  49   3.197  -0.549  -5.330
  403   2HG   GLN  49          2HG       GLN  49   4.734   0.315  -5.363
  404   2HE2  GLN  49          2HE2      GLN  49   5.101   0.256  -7.640
  405   1HE2  GLN  49          1HE2      GLN  49   5.311  -1.190  -8.504
  406    H    VAL  50           H        VAL  50   3.076  -0.469  -1.661
  407    HA   VAL  50           HA       VAL  50   3.987  -2.455   0.281
  408    HB   VAL  50           HB       VAL  50   3.208   0.353   1.122
  409   1HG1  VAL  50          1HG1      VAL  50   3.757  -2.194   2.656
  410   2HG1  VAL  50          2HG1      VAL  50   3.938  -0.604   3.401
  411   3HG1  VAL  50          3HG1      VAL  50   2.366  -1.117   2.788
  412   1HG2  VAL  50          1HG2      VAL  50   5.820  -1.172   1.136
  413   2HG2  VAL  50          2HG2      VAL  50   5.477   0.375   0.361
  414   3HG2  VAL  50          3HG2      VAL  50   5.551   0.267   2.120
  415    H    CYS  51           H        CYS  51   2.360  -3.724   0.869
  416    HA   CYS  51           HA       CYS  51  -0.325  -3.192  -0.067
  417   1HB   CYS  51          1HB       CYS  51   0.791  -5.428   1.649
  418   2HB   CYS  51          2HB       CYS  51  -0.855  -5.368   1.020
  419    H    ALA  52           H        ALA  52  -1.923  -2.244   1.068
  420    HA   ALA  52           HA       ALA  52  -1.587  -2.023   4.001
  421   1HB   ALA  52          1HB       ALA  52  -1.214   0.104   2.429
  422   2HB   ALA  52          2HB       ALA  52  -2.972   0.171   2.550
  423   3HB   ALA  52          3HB       ALA  52  -1.985   0.231   4.011
  424    H    ASP  53           H        ASP  53  -3.299  -2.532   5.188
  425    HA   ASP  53           HA       ASP  53  -5.805  -3.201   3.785
  426   1HB   ASP  53          1HB       ASP  53  -4.447  -4.223   6.231
  427   2HB   ASP  53          2HB       ASP  53  -6.210  -4.199   6.242
  428    H    LYS  54           H        LYS  54  -7.578  -2.011   4.092
  429    HA   LYS  54           HA       LYS  54  -7.541   0.466   5.386
  430   1HB   LYS  54          1HB       LYS  54  -9.888  -1.292   4.643
  431   2HB   LYS  54          2HB       LYS  54 -10.038   0.379   5.188
  432   1HG   LYS  54          1HG       LYS  54  -9.162   1.239   3.242
  433   2HG   LYS  54          2HG       LYS  54  -8.121  -0.159   2.969
  434   1HD   LYS  54          1HD       LYS  54 -10.433  -1.409   2.641
  435   2HD   LYS  54          2HD       LYS  54 -11.011   0.216   2.274
  436   1HE   LYS  54          1HE       LYS  54  -8.804   0.259   0.771
  437   2HE   LYS  54          2HE       LYS  54  -9.065  -1.486   0.781
  438   1HZ   LYS  54          1HZ       LYS  54 -11.478  -0.842   0.216
  439   2HZ   LYS  54          2HZ       LYS  54 -10.812   0.644  -0.261
  440   3HZ   LYS  54          3HZ       LYS  54 -10.307  -0.793  -1.014
  441    H    SER  55           H        SER  55  -8.050  -2.704   6.696
  442    HA   SER  55           HA       SER  55  -9.614  -2.167   8.946
  443   1HB   SER  55          1HB       SER  55  -7.334  -4.020   9.317
  444   2HB   SER  55          2HB       SER  55  -9.042  -4.254   9.663
  445    HG   SER  55           HG       SER  55  -8.932  -5.388   7.879
  446    H    LYS  56           H        LYS  56  -6.241  -1.498   8.310
  447    HA   LYS  56           HA       LYS  56  -5.458  -0.949  10.995
  448   1HB   LYS  56          1HB       LYS  56  -4.322  -0.461   8.287
  449   2HB   LYS  56          2HB       LYS  56  -3.725   0.551   9.603
  450   1HG   LYS  56          1HG       LYS  56  -3.892  -2.456   9.849
  451   2HG   LYS  56          2HG       LYS  56  -2.467  -1.648   9.194
  452   1HD   LYS  56          1HD       LYS  56  -2.200  -0.367  11.256
  453   2HD   LYS  56          2HD       LYS  56  -3.681  -1.064  11.911
  454   1HE   LYS  56          1HE       LYS  56  -2.544  -3.354  11.528
  455   2HE   LYS  56          2HE       LYS  56  -1.048  -2.433  11.366
  456   1HZ   LYS  56          1HZ       LYS  56  -2.838  -2.013  13.673
  457   2HZ   LYS  56          2HZ       LYS  56  -1.712  -3.285  13.673
  458   3HZ   LYS  56          3HZ       LYS  56  -1.177  -1.681  13.536
  459    H    ASP  57           H        ASP  57  -4.430   1.467  11.225
  460    HA   ASP  57           HA       ASP  57  -6.753   3.270  10.907
  461   1HB   ASP  57          1HB       ASP  57  -4.559   3.186  12.982
  462   2HB   ASP  57          2HB       ASP  57  -5.648   4.561  12.795
  463    H    TRP  58           H        TRP  58  -3.250   3.002  10.575
  464    HA   TRP  58           HA       TRP  58  -2.930   5.710   9.659
  465   1HB   TRP  58          1HB       TRP  58  -0.637   5.016   9.051
  466   2HB   TRP  58          2HB       TRP  58  -1.043   4.599  10.712
  467    HD1  TRP  58           HD1      TRP  58  -1.319   2.045  11.320
  468    HE1  TRP  58           HE1      TRP  58  -0.573  -0.109  10.120
  469    HE3  TRP  58           HE3      TRP  58  -0.337   3.917   6.674
  470    HZ2  TRP  58           HZ2      TRP  58   0.329  -0.936   7.518
  471    HZ3  TRP  58           HZ3      TRP  58   0.466   2.434   4.861
  472    HH2  TRP  58           HH2      TRP  58   0.795   0.013   5.276
  473    H    VAL  59           H        VAL  59  -3.647   2.639   8.190
  474    HA   VAL  59           HA       VAL  59  -2.965   3.368   5.512
  475    HB   VAL  59           HB       VAL  59  -4.986   1.310   6.435
  476   1HG1  VAL  59          1HG1      VAL  59  -3.429   1.727   3.869
  477   2HG1  VAL  59          2HG1      VAL  59  -4.296   0.239   4.249
  478   3HG1  VAL  59          3HG1      VAL  59  -5.180   1.754   4.069
  479   1HG2  VAL  59          1HG2      VAL  59  -2.742   1.012   7.480
  480   2HG2  VAL  59          2HG2      VAL  59  -3.131  -0.283   6.347
  481   3HG2  VAL  59          3HG2      VAL  59  -2.021   1.002   5.870
  482    H    LYS  60           H        LYS  60  -5.869   3.539   7.494
  483    HA   LYS  60           HA       LYS  60  -7.696   4.286   5.487
  484   1HB   LYS  60          1HB       LYS  60  -8.152   3.618   7.939
  485   2HB   LYS  60          2HB       LYS  60  -7.842   5.313   8.315
  486   1HG   LYS  60          1HG       LYS  60  -9.633   6.045   6.889
  487   2HG   LYS  60          2HG       LYS  60  -9.837   4.428   6.216
  488   1HD   LYS  60          1HD       LYS  60 -10.434   3.613   8.515
  489   2HD   LYS  60          2HD       LYS  60 -10.394   5.288   9.068
  490   1HE   LYS  60          1HE       LYS  60 -12.252   5.896   7.761
  491   2HE   LYS  60          2HE       LYS  60 -12.076   4.502   6.697
  492   1HZ   LYS  60          1HZ       LYS  60 -12.661   4.164   9.570
  493   2HZ   LYS  60          2HZ       LYS  60 -13.908   4.444   8.450
  494   3HZ   LYS  60          3HZ       LYS  60 -12.919   3.070   8.299
  495    H    LYS  61           H        LYS  61  -5.804   6.323   7.729
  496    HA   LYS  61           HA       LYS  61  -6.703   8.797   6.720
  497   1HB   LYS  61          1HB       LYS  61  -4.632   9.739   7.739
  498   2HB   LYS  61          2HB       LYS  61  -5.519   8.686   8.842
  499   1HG   LYS  61          1HG       LYS  61  -4.003   6.848   8.407
  500   2HG   LYS  61          2HG       LYS  61  -3.189   7.764   7.138
  501   1HD   LYS  61          1HD       LYS  61  -1.797   7.964   9.066
  502   2HD   LYS  61          2HD       LYS  61  -2.650   9.502   8.934
  503   1HE   LYS  61          1HE       LYS  61  -4.423   8.163  10.457
  504   2HE   LYS  61          2HE       LYS  61  -2.946   7.338  10.956
  505   1HZ   LYS  61          1HZ       LYS  61  -1.967   9.580  11.326
  506   2HZ   LYS  61          2HZ       LYS  61  -3.507  10.249  11.062
  507   3HZ   LYS  61          3HZ       LYS  61  -3.246   9.199  12.372
  508    H    LEU  62           H        LEU  62  -4.215   6.587   5.635
  509    HA   LEU  62           HA       LEU  62  -2.879   8.345   3.849
  510   1HB   LEU  62          1HB       LEU  62  -3.171   5.364   3.982
  511   2HB   LEU  62          2HB       LEU  62  -2.344   6.136   2.649
  512    HG   LEU  62           HG       LEU  62  -1.545   6.451   5.546
  513   1HD1  LEU  62          1HD1      LEU  62  -0.576   4.606   3.349
  514   2HD1  LEU  62          2HD1      LEU  62   0.336   4.920   4.825
  515   3HD1  LEU  62          3HD1      LEU  62  -1.245   4.145   4.913
  516   1HD2  LEU  62          1HD2      LEU  62  -0.516   7.420   2.899
  517   2HD2  LEU  62          2HD2      LEU  62  -0.590   8.267   4.444
  518   3HD2  LEU  62          3HD2      LEU  62   0.649   7.043   4.168
  519    H    MET  63           H        MET  63  -5.322   5.829   3.296
  520    HA   MET  63           HA       MET  63  -5.776   6.203   0.584
  521   1HB   MET  63          1HB       MET  63  -7.805   5.517   2.720
  522   2HB   MET  63          2HB       MET  63  -8.062   5.325   0.991
  523   1HG   MET  63          1HG       MET  63  -5.837   3.987   2.556
  524   2HG   MET  63          2HG       MET  63  -7.344   3.203   2.094
  525   1HE   MET  63          1HE       MET  63  -7.946   2.289   0.271
  526   2HE   MET  63          2HE       MET  63  -8.007   3.535  -0.974
  527   3HE   MET  63          3HE       MET  63  -7.083   2.062  -1.256
  528    H    GLN  64           H        GLN  64  -7.237   7.913   3.308
  529    HA   GLN  64           HA       GLN  64  -8.871   9.596   1.624
  530   1HB   GLN  64          1HB       GLN  64  -9.333   8.940   4.073
  531   2HB   GLN  64          2HB       GLN  64  -8.150  10.181   4.491
  532   1HG   GLN  64          1HG       GLN  64  -9.468  11.831   3.159
  533   2HG   GLN  64          2HG       GLN  64 -10.686  10.586   2.878
  534   2HE2  GLN  64          2HE2      GLN  64 -12.416  11.292   4.178
  535   1HE2  GLN  64          1HE2      GLN  64 -12.288  11.601   5.841
  536    H    GLN  65           H        GLN  65  -5.685   9.738   3.059
  537    HA   GLN  65           HA       GLN  65  -5.293  12.552   2.742
  538   1HB   GLN  65          1HB       GLN  65  -3.559  10.205   3.367
  539   2HB   GLN  65          2HB       GLN  65  -2.787  11.699   2.835
  540   1HG   GLN  65          1HG       GLN  65  -4.902  12.081   4.862
  541   2HG   GLN  65          2HG       GLN  65  -3.509  11.162   5.429
  542   2HE2  GLN  65          2HE2      GLN  65  -4.241  14.186   3.602
  543   1HE2  GLN  65          1HE2      GLN  65  -2.930  15.056   4.238
  544    H    LEU  66           H        LEU  66  -4.799   9.737   0.699
  545    HA   LEU  66           HA       LEU  66  -3.677  11.496  -1.399
  546   1HB   LEU  66          1HB       LEU  66  -3.377   8.565  -0.866
  547   2HB   LEU  66          2HB       LEU  66  -3.053   9.243  -2.447
  548    HG   LEU  66           HG       LEU  66  -0.976   9.040  -1.275
  549   1HD1  LEU  66          1HD1      LEU  66  -1.707  11.287  -2.493
  550   2HD1  LEU  66          2HD1      LEU  66  -1.505  11.948  -0.870
  551   3HD1  LEU  66          3HD1      LEU  66  -0.150  11.157  -1.675
  552   1HD2  LEU  66          1HD2      LEU  66  -2.394   9.288   1.009
  553   2HD2  LEU  66          2HD2      LEU  66  -0.647   9.529   0.942
  554   3HD2  LEU  66          3HD2      LEU  66  -1.732  10.920   0.896
  555    HA   PRO  67           HA       PRO  67  -7.337  10.723  -3.730
  556   1HB   PRO  67          1HB       PRO  67  -6.406  10.968  -6.295
  557   2HB   PRO  67          2HB       PRO  67  -6.660  12.339  -5.203
  558   1HG   PRO  67          1HG       PRO  67  -4.125  11.055  -6.056
  559   2HG   PRO  67          2HG       PRO  67  -4.432  12.725  -5.556
  560   1HD   PRO  67          1HD       PRO  67  -3.263  10.709  -3.962
  561   2HD   PRO  67          2HD       PRO  67  -3.890  12.269  -3.379
  562    H    VAL  68           H        VAL  68  -5.150   9.329  -6.151
  563    HA   VAL  68           HA       VAL  68  -5.280   6.650  -5.431
  564    HB   VAL  68           HB       VAL  68  -7.826   7.356  -5.986
  565   1HG1  VAL  68          1HG1      VAL  68  -7.238   7.951  -8.368
  566   2HG1  VAL  68          2HG1      VAL  68  -6.872   6.247  -8.634
  567   3HG1  VAL  68          3HG1      VAL  68  -8.509   6.740  -8.204
  568   1HG2  VAL  68          1HG2      VAL  68  -6.786   5.163  -5.191
  569   2HG2  VAL  68          2HG2      VAL  68  -8.279   5.034  -6.121
  570   3HG2  VAL  68          3HG2      VAL  68  -6.729   4.698  -6.893
  571    H    THR  69           H        THR  69  -4.852   5.178  -7.386
  572    HA   THR  69           HA       THR  69  -3.646   6.575  -9.652
  573    HB   THR  69           HB       THR  69  -1.767   6.528  -8.148
  574    HG1  THR  69           HG1      THR  69  -0.404   5.407  -9.428
  575   1HG2  THR  69          1HG2      THR  69  -2.937   3.950  -7.392
  576   2HG2  THR  69          2HG2      THR  69  -1.192   3.869  -7.625
  577   3HG2  THR  69          3HG2      THR  69  -1.874   5.015  -6.472
  578    H    ALA  70           H        ALA  70  -3.902   5.464 -11.484
  579    HA   ALA  70           HA       ALA  70  -3.772   2.661 -11.757
  580   1HB   ALA  70          1HB       ALA  70  -6.197   2.224 -12.237
  581   2HB   ALA  70          2HB       ALA  70  -6.566   3.802 -11.542
  582   3HB   ALA  70          3HB       ALA  70  -5.851   2.541 -10.538
  583    H    ARG  71           H        ARG  71  -6.095   5.007 -13.093
  584    HA   ARG  71           HA       ARG  71  -6.393   5.822 -15.222
  585   1HB   ARG  71          1HB       ARG  71  -3.857   6.404 -14.689
  586   2HB   ARG  71          2HB       ARG  71  -3.564   5.216 -15.959
  587   1HG   ARG  71          1HG       ARG  71  -4.907   6.456 -17.533
  588   2HG   ARG  71          2HG       ARG  71  -5.464   7.554 -16.269
  589   1HD   ARG  71          1HD       ARG  71  -3.402   8.636 -16.112
  590   2HD   ARG  71          2HD       ARG  71  -2.523   7.272 -16.795
  591    HE   ARG  71           HE       ARG  71  -2.896   8.174 -18.892
  592   1HH1  ARG  71          1HH1      ARG  71  -5.224   9.506 -16.641
  593   2HH1  ARG  71          2HH1      ARG  71  -5.881  10.610 -17.799
  594   1HH2  ARG  71          1HH2      ARG  71  -3.781   9.629 -20.369
  595   2HH2  ARG  71          2HH2      ARG  71  -5.072  10.682 -19.892

  No H/Q in entry =         595
  Start of MODEL   22
    1    H1   LEU   1           H1       LEU   1 -19.350   6.519 -12.479
    2    H2   LEU   1           H2       LEU   1 -18.050   6.655 -11.398
    3    H3   LEU   1           H3       LEU   1 -17.867   5.773 -12.839
    4    HA   LEU   1           HA       LEU   1 -18.133   4.143 -11.210
    5   1HB   LEU   1          1HB       LEU   1 -19.060   5.988  -9.596
    6   2HB   LEU   1          2HB       LEU   1 -20.636   5.458 -10.185
    7    HG   LEU   1           HG       LEU   1 -19.929   3.086  -9.607
    8   1HD1  LEU   1          1HD1      LEU   1 -17.675   4.649  -8.325
    9   2HD1  LEU   1          2HD1      LEU   1 -18.101   3.008  -7.837
   10   3HD1  LEU   1          3HD1      LEU   1 -17.546   3.322  -9.481
   11   1HD2  LEU   1          1HD2      LEU   1 -21.242   4.890  -8.138
   12   2HD2  LEU   1          2HD2      LEU   1 -20.819   3.308  -7.483
   13   3HD2  LEU   1          3HD2      LEU   1 -19.826   4.715  -7.100
   14    H    GLY   2           H        GLY   2 -18.557   3.046 -13.161
   15   1HA   GLY   2          1HA       GLY   2 -20.836   3.102 -14.725
   16   2HA   GLY   2          2HA       GLY   2 -21.209   1.999 -13.402
   17    H    ALA   3           H        ALA   3 -19.780   2.322 -16.438
   18    HA   ALA   3           HA       ALA   3 -19.231  -0.432 -16.719
   19   1HB   ALA   3          1HB       ALA   3 -19.694   0.928 -18.672
   20   2HB   ALA   3          2HB       ALA   3 -18.078   0.240 -18.829
   21   3HB   ALA   3          3HB       ALA   3 -18.275   1.927 -18.356
   22    H    SER   4           H        SER   4 -17.653  -1.544 -15.798
   23    HA   SER   4           HA       SER   4 -15.197  -0.180 -14.959
   24   1HB   SER   4          1HB       SER   4 -16.328  -1.667 -13.342
   25   2HB   SER   4          2HB       SER   4 -16.125  -3.019 -14.453
   26    HG   SER   4           HG       SER   4 -14.335  -1.841 -12.758
   27    H    TRP   5           H        TRP   5 -13.159  -0.749 -15.658
   28    HA   TRP   5           HA       TRP   5 -12.978  -1.781 -18.330
   29   1HB   TRP   5          1HB       TRP   5 -11.460  -0.028 -17.086
   30   2HB   TRP   5          2HB       TRP   5 -10.576  -1.463 -16.570
   31    HD1  TRP   5           HD1      TRP   5 -11.230   0.732 -19.553
   32    HE1  TRP   5           HE1      TRP   5  -9.828  -0.090 -21.555
   33    HE3  TRP   5           HE3      TRP   5  -9.544  -3.712 -17.685
   34    HZ2  TRP   5           HZ2      TRP   5  -8.208  -2.337 -22.270
   35    HZ3  TRP   5           HZ3      TRP   5  -8.075  -5.172 -19.045
   36    HH2  TRP   5           HH2      TRP   5  -7.405  -4.490 -21.333
   37    H    HIS   6           H        HIS   6 -12.413  -3.033 -15.106
   38    HA   HIS   6           HA       HIS   6 -11.980  -5.154 -14.329
   39   1HB   HIS   6          1HB       HIS   6 -13.882  -5.547 -16.133
   40   2HB   HIS   6          2HB       HIS   6 -12.575  -6.351 -17.002
   41    HD1  HIS   6           HD1      HIS   6 -11.855  -8.634 -16.177
   42    HD2  HIS   6           HD2      HIS   6 -14.408  -6.714 -13.498
   43    HE1  HIS   6           HE1      HIS   6 -12.437 -10.338 -14.395
   44    H    ARG   7           H        ARG   7  -9.828  -5.216 -13.984
   45    HA   ARG   7           HA       ARG   7  -8.179  -6.439 -16.086
   46   1HB   ARG   7          1HB       ARG   7  -6.326  -4.840 -15.576
   47   2HB   ARG   7          2HB       ARG   7  -7.714  -4.074 -16.350
   48   1HG   ARG   7          1HG       ARG   7  -8.305  -2.912 -14.458
   49   2HG   ARG   7          2HG       ARG   7  -7.721  -4.176 -13.374
   50   1HD   ARG   7          1HD       ARG   7  -5.462  -3.496 -13.622
   51   2HD   ARG   7          2HD       ARG   7  -5.829  -2.512 -15.035
   52    HE   ARG   7           HE       ARG   7  -7.284  -1.536 -12.808
   53   1HH1  ARG   7          1HH1      ARG   7  -4.014  -1.730 -14.045
   54   2HH1  ARG   7          2HH1      ARG   7  -3.501  -0.292 -13.232
   55   1HH2  ARG   7          1HH2      ARG   7  -6.572   0.334 -11.766
   56   2HH2  ARG   7          2HH2      ARG   7  -4.935   0.868 -11.953
   57    HA   PRO   8           HA       PRO   8  -6.565  -8.626 -12.598
   58   1HB   PRO   8          1HB       PRO   8  -4.122  -9.392 -13.551
   59   2HB   PRO   8          2HB       PRO   8  -5.653 -10.094 -14.096
   60   1HG   PRO   8          1HG       PRO   8  -3.840  -8.225 -15.498
   61   2HG   PRO   8          2HG       PRO   8  -5.009  -9.374 -16.164
   62   1HD   PRO   8          1HD       PRO   8  -5.355  -6.560 -15.888
   63   2HD   PRO   8          2HD       PRO   8  -6.596  -7.746 -16.358
   64    H    ASP   9           H        ASP   9  -6.323  -6.967 -11.034
   65    HA   ASP   9           HA       ASP   9  -4.050  -5.226 -10.960
   66   1HB   ASP   9          1HB       ASP   9  -5.901  -5.978  -8.688
   67   2HB   ASP   9          2HB       ASP   9  -4.854  -4.561  -8.774
   68    H    LYS  10           H        LYS  10  -3.000  -5.256  -8.522
   69    HA   LYS  10           HA       LYS  10  -1.494  -7.776  -8.490
   70   1HB   LYS  10          1HB       LYS  10  -0.985  -5.002  -7.489
   71   2HB   LYS  10          2HB       LYS  10  -0.146  -6.352  -6.726
   72   1HG   LYS  10          1HG       LYS  10   0.750  -7.068  -8.878
   73   2HG   LYS  10          2HG       LYS  10  -0.170  -5.813  -9.710
   74   1HD   LYS  10          1HD       LYS  10   1.844  -4.707  -9.503
   75   2HD   LYS  10          2HD       LYS  10   1.113  -4.246  -7.965
   76   1HE   LYS  10          1HE       LYS  10   2.260  -6.105  -6.842
   77   2HE   LYS  10          2HE       LYS  10   2.964  -6.613  -8.378
   78   1HZ   LYS  10          1HZ       LYS  10   3.379  -3.936  -7.169
   79   2HZ   LYS  10          2HZ       LYS  10   4.456  -5.234  -6.985
   80   3HZ   LYS  10          3HZ       LYS  10   4.169  -4.582  -8.528
   81    H    CYS  11           H        CYS  11  -2.243  -9.316  -7.202
   82    HA   CYS  11           HA       CYS  11  -4.084  -8.949  -5.094
   83   1HB   CYS  11          1HB       CYS  11  -2.136 -11.245  -5.435
   84   2HB   CYS  11          2HB       CYS  11  -3.638 -11.268  -4.516
   85    H    CYS  12           H        CYS  12  -3.317 -10.166  -2.880
   86    HA   CYS  12           HA       CYS  12  -0.825  -8.912  -1.934
   87   1HB   CYS  12          1HB       CYS  12  -3.590  -8.433  -0.876
   88   2HB   CYS  12          2HB       CYS  12  -2.227  -8.435   0.240
   89    H    LEU  13           H        LEU  13  -0.069  -9.821   0.096
   90    HA   LEU  13           HA       LEU  13  -1.134 -12.535   0.621
   91   1HB   LEU  13          1HB       LEU  13   1.155 -12.297  -0.604
   92   2HB   LEU  13          2HB       LEU  13   1.759 -11.833   0.972
   93    HG   LEU  13           HG       LEU  13   0.332 -14.444   0.422
   94   1HD1  LEU  13          1HD1      LEU  13   2.691 -13.870  -0.691
   95   2HD1  LEU  13          2HD1      LEU  13   3.273 -14.266   0.926
   96   3HD1  LEU  13          3HD1      LEU  13   2.364 -15.460  -0.001
   97   1HD2  LEU  13          1HD2      LEU  13   1.829 -13.255   2.762
   98   2HD2  LEU  13          2HD2      LEU  13   0.206 -13.944   2.739
   99   3HD2  LEU  13          3HD2      LEU  13   1.613 -14.997   2.596
  100    H    GLY  14           H        GLY  14   0.806  -9.865   1.889
  101   1HA   GLY  14          1HA       GLY  14   1.337 -10.120   4.403
  102   2HA   GLY  14          2HA       GLY  14  -0.410 -10.295   4.542
  103    H    TYR  15           H        TYR  15  -0.639  -8.410   5.773
  104    HA   TYR  15           HA       TYR  15  -0.638  -5.959   4.180
  105   1HB   TYR  15          1HB       TYR  15  -1.744  -6.551   6.929
  106   2HB   TYR  15          2HB       TYR  15  -1.864  -4.993   6.121
  107    HD1  TYR  15           HD1      TYR  15  -2.963  -8.521   6.061
  108    HD2  TYR  15           HD2      TYR  15  -3.305  -4.664   4.217
  109    HE1  TYR  15           HE1      TYR  15  -4.964  -9.294   4.814
  110    HE2  TYR  15           HE2      TYR  15  -5.300  -5.424   2.974
  111    HH   TYR  15           HH       TYR  15  -7.119  -7.847   3.728
  112    H    GLN  16           H        GLN  16  -0.007  -3.926   5.287
  113    HA   GLN  16           HA       GLN  16   2.723  -4.124   6.172
  114   1HB   GLN  16          1HB       GLN  16   2.023  -2.237   4.785
  115   2HB   GLN  16          2HB       GLN  16   0.861  -1.738   5.999
  116   1HG   GLN  16          1HG       GLN  16   2.908  -0.375   6.131
  117   2HG   GLN  16          2HG       GLN  16   2.712  -1.343   7.590
  118   2HE2  GLN  16          2HE2      GLN  16   4.741  -0.803   4.791
  119   1HE2  GLN  16          1HE2      GLN  16   5.922  -1.958   5.182
  120    H    LYS  17           H        LYS  17   3.555  -3.834   8.179
  121    HA   LYS  17           HA       LYS  17   1.624  -3.865  10.406
  122   1HB   LYS  17          1HB       LYS  17   3.400  -5.716  10.077
  123   2HB   LYS  17          2HB       LYS  17   4.553  -4.511  10.652
  124   1HG   LYS  17          1HG       LYS  17   3.169  -4.192  12.692
  125   2HG   LYS  17          2HG       LYS  17   2.077  -5.457  12.127
  126   1HD   LYS  17          1HD       LYS  17   3.453  -6.771  13.414
  127   2HD   LYS  17          2HD       LYS  17   4.400  -6.796  11.926
  128   1HE   LYS  17          1HE       LYS  17   4.861  -4.524  13.804
  129   2HE   LYS  17          2HE       LYS  17   5.488  -6.104  14.272
  130   1HZ   LYS  17          1HZ       LYS  17   6.384  -6.147  11.876
  131   2HZ   LYS  17          2HZ       LYS  17   6.162  -4.463  11.921
  132   3HZ   LYS  17          3HZ       LYS  17   7.200  -5.217  13.035
  133    H    ARG  18           H        ARG  18   4.057  -1.922   8.902
  134    HA   ARG  18           HA       ARG  18   4.140  -0.179  11.292
  135   1HB   ARG  18          1HB       ARG  18   6.119  -0.458   9.019
  136   2HB   ARG  18          2HB       ARG  18   6.223   0.765  10.286
  137   1HG   ARG  18          1HG       ARG  18   6.045  -1.272  11.917
  138   2HG   ARG  18          2HG       ARG  18   6.542  -2.217  10.513
  139   1HD   ARG  18          1HD       ARG  18   8.598  -1.684  11.478
  140   2HD   ARG  18          2HD       ARG  18   8.415  -0.407  10.280
  141    HE   ARG  18           HE       ARG  18   7.311   0.371  12.803
  142   1HH1  ARG  18          1HH1      ARG  18  10.329  -0.027  11.075
  143   2HH1  ARG  18          2HH1      ARG  18  11.159   1.159  12.022
  144   1HH2  ARG  18          1HH2      ARG  18   8.430   1.911  14.013
  145   2HH2  ARG  18          2HH2      ARG  18  10.094   2.248  13.671
  146    HA   PRO  19           HA       PRO  19   1.996   2.763   8.741
  147   1HB   PRO  19          1HB       PRO  19   2.283   4.970  10.328
  148   2HB   PRO  19          2HB       PRO  19   1.161   3.648  10.674
  149   1HG   PRO  19          1HG       PRO  19   3.703   4.334  12.001
  150   2HG   PRO  19          2HG       PRO  19   2.317   3.427  12.621
  151   1HD   PRO  19          1HD       PRO  19   4.781   2.348  11.669
  152   2HD   PRO  19          2HD       PRO  19   3.317   1.442  12.121
  153    H    LEU  20           H        LEU  20   2.838   3.504   6.884
  154    HA   LEU  20           HA       LEU  20   5.493   4.657   6.776
  155   1HB   LEU  20          1HB       LEU  20   3.662   4.770   4.437
  156   2HB   LEU  20          2HB       LEU  20   5.379   4.440   4.495
  157    HG   LEU  20           HG       LEU  20   3.131   2.526   5.158
  158   1HD1  LEU  20          1HD1      LEU  20   4.033   3.173   2.721
  159   2HD1  LEU  20          2HD1      LEU  20   5.281   2.005   3.155
  160   3HD1  LEU  20          3HD1      LEU  20   3.586   1.518   3.135
  161   1HD2  LEU  20          1HD2      LEU  20   5.253   2.396   6.623
  162   2HD2  LEU  20          2HD2      LEU  20   4.762   0.922   5.791
  163   3HD2  LEU  20          3HD2      LEU  20   6.086   1.895   5.151
  164    HA   PRO  21           HA       PRO  21   3.974   8.835   7.034
  165   1HB   PRO  21          1HB       PRO  21   6.264  10.144   6.318
  166   2HB   PRO  21          2HB       PRO  21   6.025   9.377   7.897
  167   1HG   PRO  21          1HG       PRO  21   7.712   8.512   5.632
  168   2HG   PRO  21          2HG       PRO  21   7.857   8.134   7.354
  169   1HD   PRO  21          1HD       PRO  21   6.777   6.453   5.313
  170   2HD   PRO  21          2HD       PRO  21   6.774   6.150   7.066
  171    H    GLN  22           H        GLN  22   3.003  10.312   5.703
  172    HA   GLN  22           HA       GLN  22   2.860   9.813   2.900
  173   1HB   GLN  22          1HB       GLN  22   1.081  10.894   4.399
  174   2HB   GLN  22          2HB       GLN  22   2.020  12.378   4.239
  175   1HG   GLN  22          1HG       GLN  22   1.904  11.641   1.640
  176   2HG   GLN  22          2HG       GLN  22   0.390  10.940   2.211
  177   2HE2  GLN  22          2HE2      GLN  22   1.134  13.509   0.564
  178   1HE2  GLN  22          1HE2      GLN  22   0.211  14.718   1.319
  179    H    VAL  23           H        VAL  23   5.138  11.505   4.798
  180    HA   VAL  23           HA       VAL  23   5.870  13.687   3.262
  181    HB   VAL  23           HB       VAL  23   6.797  13.179   5.487
  182   1HG1  VAL  23          1HG1      VAL  23   7.171  10.658   4.610
  183   2HG1  VAL  23          2HG1      VAL  23   8.795  11.293   4.349
  184   3HG1  VAL  23          3HG1      VAL  23   8.078  11.339   5.960
  185   1HG2  VAL  23          1HG2      VAL  23   8.004  14.738   4.004
  186   2HG2  VAL  23          2HG2      VAL  23   9.132  13.824   5.007
  187   3HG2  VAL  23          3HG2      VAL  23   8.905  13.388   3.314
  188    H    LEU  24           H        LEU  24   6.417  10.284   2.645
  189    HA   LEU  24           HA       LEU  24   7.800  11.053   0.150
  190   1HB   LEU  24          1HB       LEU  24   9.379   9.369   0.323
  191   2HB   LEU  24          2HB       LEU  24   9.303  10.039   1.932
  192    HG   LEU  24           HG       LEU  24   9.458   7.736   2.287
  193   1HD1  LEU  24          1HD1      LEU  24   7.488   8.816   3.455
  194   2HD1  LEU  24          2HD1      LEU  24   6.459   8.112   2.208
  195   3HD1  LEU  24          3HD1      LEU  24   7.386   7.065   3.280
  196   1HD2  LEU  24          1HD2      LEU  24   8.753   7.421  -0.282
  197   2HD2  LEU  24          2HD2      LEU  24   8.710   6.088   0.871
  198   3HD2  LEU  24          3HD2      LEU  24   7.228   6.956   0.470
  199    H    LEU  25           H        LEU  25   5.029   9.696   1.349
  200    HA   LEU  25           HA       LEU  25   4.775   7.490  -0.485
  201   1HB   LEU  25          1HB       LEU  25   3.553   8.009   1.803
  202   2HB   LEU  25          2HB       LEU  25   2.425   8.835   0.752
  203    HG   LEU  25           HG       LEU  25   1.914   6.776  -0.410
  204   1HD1  LEU  25          1HD1      LEU  25   4.330   5.817   1.067
  205   2HD1  LEU  25          2HD1      LEU  25   3.029   4.659   0.787
  206   3HD1  LEU  25          3HD1      LEU  25   3.806   5.459  -0.579
  207   1HD2  LEU  25          1HD2      LEU  25   1.831   6.890   2.569
  208   2HD2  LEU  25          2HD2      LEU  25   0.504   6.828   1.408
  209   3HD2  LEU  25          3HD2      LEU  25   1.395   5.359   1.808
  210    H    SER  26           H        SER  26   2.861   7.464  -2.029
  211    HA   SER  26           HA       SER  26   2.608  10.090  -3.375
  212   1HB   SER  26          1HB       SER  26   4.029   8.088  -4.450
  213   2HB   SER  26          2HB       SER  26   2.428   7.611  -5.007
  214    HG   SER  26           HG       SER  26   2.316   9.364  -6.217
  215    H    SER  27           H        SER  27   1.164   6.823  -3.260
  216    HA   SER  27           HA       SER  27  -1.427   7.772  -2.593
  217   1HB   SER  27          1HB       SER  27  -2.603   7.544  -4.657
  218   2HB   SER  27          2HB       SER  27  -1.212   8.567  -4.999
  219    HG   SER  27           HG       SER  27  -1.577   5.814  -5.556
  220    H    TRP  28           H        TRP  28  -3.042   5.859  -3.684
  221    HA   TRP  28           HA       TRP  28  -1.780   3.253  -3.165
  222   1HB   TRP  28          1HB       TRP  28  -3.763   2.634  -1.720
  223   2HB   TRP  28          2HB       TRP  28  -2.650   3.790  -0.989
  224    HD1  TRP  28           HD1      TRP  28  -3.426   6.333  -0.830
  225    HE1  TRP  28           HE1      TRP  28  -5.762   7.422  -0.864
  226    HE3  TRP  28           HE3      TRP  28  -6.193   2.452  -2.693
  227    HZ2  TRP  28           HZ2      TRP  28  -8.441   6.738  -1.591
  228    HZ3  TRP  28           HZ3      TRP  28  -8.626   2.705  -3.046
  229    HH2  TRP  28           HH2      TRP  28  -9.756   4.842  -2.496
  230    H    TYR  29           H        TYR  29  -2.649   1.603  -4.349
  231    HA   TYR  29           HA       TYR  29  -5.019   2.287  -5.979
  232   1HB   TYR  29          1HB       TYR  29  -4.130   0.994  -7.817
  233   2HB   TYR  29          2HB       TYR  29  -2.937   2.190  -7.330
  234    HD1  TYR  29           HD1      TYR  29  -1.054   1.411  -5.708
  235    HD2  TYR  29           HD2      TYR  29  -3.585  -1.284  -7.898
  236    HE1  TYR  29           HE1      TYR  29   0.614  -0.389  -5.423
  237    HE2  TYR  29           HE2      TYR  29  -1.912  -3.088  -7.605
  238    HH   TYR  29           HH       TYR  29   1.183  -2.613  -6.815
  239    HA   PRO  30           HA       PRO  30  -6.723  -1.352  -4.117
  240   1HB   PRO  30          1HB       PRO  30  -8.955  -1.607  -5.669
  241   2HB   PRO  30          2HB       PRO  30  -8.770  -0.382  -4.406
  242   1HG   PRO  30          1HG       PRO  30  -8.696  -0.071  -7.345
  243   2HG   PRO  30          2HG       PRO  30  -9.107   1.113  -6.097
  244   1HD   PRO  30          1HD       PRO  30  -6.638   0.908  -7.497
  245   2HD   PRO  30          2HD       PRO  30  -6.982   1.943  -6.092
  246    H    THR  31           H        THR  31  -7.001  -3.574  -4.431
  247    HA   THR  31           HA       THR  31  -5.935  -4.610  -6.983
  248    HB   THR  31           HB       THR  31  -4.602  -5.229  -5.033
  249    HG1  THR  31           HG1      THR  31  -4.839  -6.783  -6.654
  250   1HG2  THR  31          1HG2      THR  31  -7.198  -6.386  -3.986
  251   2HG2  THR  31          2HG2      THR  31  -5.613  -6.656  -3.260
  252   3HG2  THR  31          3HG2      THR  31  -6.301  -5.034  -3.298
  253    H    SER  32           H        SER  32  -6.750  -7.095  -7.138
  254    HA   SER  32           HA       SER  32  -9.413  -6.974  -8.007
  255   1HB   SER  32          1HB       SER  32  -8.354  -9.615  -7.147
  256   2HB   SER  32          2HB       SER  32  -9.154  -9.155  -8.646
  257    HG   SER  32           HG       SER  32  -7.167  -9.194  -9.369
  258    H    GLN  33           H        GLN  33 -11.045  -8.741  -7.174
  259    HA   GLN  33           HA       GLN  33 -11.807  -7.907  -4.531
  260   1HB   GLN  33          1HB       GLN  33 -13.261  -8.675  -6.645
  261   2HB   GLN  33          2HB       GLN  33 -13.163 -10.223  -5.807
  262   1HG   GLN  33          1HG       GLN  33 -13.904  -9.011  -3.704
  263   2HG   GLN  33          2HG       GLN  33 -14.237  -7.609  -4.721
  264   2HE2  GLN  33          2HE2      GLN  33 -16.354  -7.521  -5.456
  265   1HE2  GLN  33          1HE2      GLN  33 -17.363  -8.866  -5.693
  266    H    LEU  34           H        LEU  34 -11.445 -11.199  -5.843
  267    HA   LEU  34           HA       LEU  34 -11.058 -12.311  -3.235
  268   1HB   LEU  34          1HB       LEU  34 -10.709 -13.489  -5.987
  269   2HB   LEU  34          2HB       LEU  34 -10.491 -14.402  -4.511
  270    HG   LEU  34           HG       LEU  34 -12.668 -14.923  -5.289
  271   1HD1  LEU  34          1HD1      LEU  34 -12.484 -14.294  -2.847
  272   2HD1  LEU  34          2HD1      LEU  34 -13.107 -12.701  -3.278
  273   3HD1  LEU  34          3HD1      LEU  34 -14.106 -14.134  -3.523
  274   1HD2  LEU  34          1HD2      LEU  34 -12.573 -12.615  -6.675
  275   2HD2  LEU  34          2HD2      LEU  34 -14.084 -13.473  -6.370
  276   3HD2  LEU  34          3HD2      LEU  34 -13.626 -12.104  -5.356
  277    H    CYS  35           H        CYS  35  -8.827 -12.962  -5.919
  278    HA   CYS  35           HA       CYS  35  -6.527 -13.049  -5.987
  279   1HB   CYS  35          1HB       CYS  35  -7.219 -10.526  -4.624
  280   2HB   CYS  35          2HB       CYS  35  -5.584 -11.090  -4.308
  281    H    SER  36           H        SER  36  -8.071 -14.438  -3.707
  282    HA   SER  36           HA       SER  36  -7.508 -15.847  -1.978
  283   1HB   SER  36          1HB       SER  36  -5.211 -15.814  -3.454
  284   2HB   SER  36          2HB       SER  36  -4.630 -15.182  -1.917
  285    HG   SER  36           HG       SER  36  -5.443 -17.695  -2.592
  286    H    LYS  37           H        LYS  37  -5.100 -13.260  -1.730
  287    HA   LYS  37           HA       LYS  37  -6.272 -12.473   0.871
  288   1HB   LYS  37          1HB       LYS  37  -3.487 -13.089   0.104
  289   2HB   LYS  37          2HB       LYS  37  -3.682 -11.584   1.001
  290   1HG   LYS  37          1HG       LYS  37  -3.589 -12.959   2.820
  291   2HG   LYS  37          2HG       LYS  37  -5.295 -13.224   2.452
  292   1HD   LYS  37          1HD       LYS  37  -4.238 -15.389   2.706
  293   2HD   LYS  37          2HD       LYS  37  -4.608 -15.159   0.996
  294   1HE   LYS  37          1HE       LYS  37  -2.399 -14.970   0.401
  295   2HE   LYS  37          2HE       LYS  37  -1.947 -14.202   1.923
  296   1HZ   LYS  37          1HZ       LYS  37  -2.298 -16.396   3.000
  297   2HZ   LYS  37          2HZ       LYS  37  -2.499 -17.080   1.461
  298   3HZ   LYS  37          3HZ       LYS  37  -1.015 -16.372   1.888
  299    HA   PRO  38           HA       PRO  38  -6.520  -8.839  -1.893
  300   1HB   PRO  38          1HB       PRO  38  -8.659  -7.676  -0.651
  301   2HB   PRO  38          2HB       PRO  38  -8.796  -8.946  -1.876
  302   1HG   PRO  38          1HG       PRO  38  -9.147  -9.123   1.067
  303   2HG   PRO  38          2HG       PRO  38  -9.903 -10.074  -0.220
  304   1HD   PRO  38          1HD       PRO  38  -7.763 -10.918   1.400
  305   2HD   PRO  38          2HD       PRO  38  -8.272 -11.677  -0.127
  306    H    GLY  39           H        GLY  39  -7.202  -6.378  -1.045
  307   1HA   GLY  39          1HA       GLY  39  -5.188  -5.774   1.035
  308   2HA   GLY  39          2HA       GLY  39  -6.748  -4.954   1.004
  309    H    VAL  40           H        VAL  40  -6.037  -2.880   0.569
  310    HA   VAL  40           HA       VAL  40  -5.268  -2.360  -2.171
  311    HB   VAL  40           HB       VAL  40  -5.518  -0.386   0.116
  312   1HG1  VAL  40          1HG1      VAL  40  -4.421   0.011  -2.349
  313   2HG1  VAL  40          2HG1      VAL  40  -6.111   0.377  -2.678
  314   3HG1  VAL  40          3HG1      VAL  40  -5.244   1.261  -1.423
  315   1HG2  VAL  40          1HG2      VAL  40  -7.533  -1.620  -1.746
  316   2HG2  VAL  40          2HG2      VAL  40  -7.662  -1.323  -0.011
  317   3HG2  VAL  40          3HG2      VAL  40  -7.771   0.022  -1.147
  318    H    ILE  41           H        ILE  41  -3.345  -1.653  -2.927
  319    HA   ILE  41           HA       ILE  41  -1.047  -1.873  -1.107
  320    HB   ILE  41           HB       ILE  41  -1.290  -1.942  -4.123
  321   1HG1  ILE  41          1HG1      ILE  41  -0.191  -4.227  -3.638
  322   2HG1  ILE  41          2HG1      ILE  41  -0.667  -3.945  -1.962
  323   1HG2  ILE  41          1HG2      ILE  41   0.795  -0.764  -3.499
  324   2HG2  ILE  41          2HG2      ILE  41   1.230  -2.106  -2.437
  325   3HG2  ILE  41          3HG2      ILE  41   1.141  -2.355  -4.181
  326   1HD1  ILE  41          1HD1      ILE  41  -2.695  -3.587  -4.145
  327   2HD1  ILE  41          2HD1      ILE  41  -2.309  -5.213  -3.581
  328   3HD1  ILE  41          3HD1      ILE  41  -2.942  -4.015  -2.453
  329    H    PHE  42           H        PHE  42   0.513  -0.253  -0.975
  330    HA   PHE  42           HA       PHE  42  -0.440   2.430  -1.729
  331   1HB   PHE  42          1HB       PHE  42   1.418   1.387   0.379
  332   2HB   PHE  42          2HB       PHE  42   1.671   3.019  -0.236
  333    HD1  PHE  42           HD1      PHE  42  -0.287   4.650  -0.220
  334    HD2  PHE  42           HD2      PHE  42  -0.324   0.925   1.921
  335    HE1  PHE  42           HE1      PHE  42  -2.144   5.484   1.197
  336    HE2  PHE  42           HE2      PHE  42  -2.182   1.760   3.338
  337    HZ   PHE  42           HZ       PHE  42  -3.090   4.040   2.976
  338    H    LEU  43           H        LEU  43   1.101   3.938  -2.644
  339    HA   LEU  43           HA       LEU  43   3.352   2.651  -4.060
  340   1HB   LEU  43          1HB       LEU  43   1.358   4.589  -5.233
  341   2HB   LEU  43          2HB       LEU  43   2.824   4.058  -6.029
  342    HG   LEU  43           HG       LEU  43   0.748   2.065  -5.151
  343   1HD1  LEU  43          1HD1      LEU  43   0.652   4.015  -7.404
  344   2HD1  LEU  43          2HD1      LEU  43   0.180   2.354  -7.763
  345   3HD1  LEU  43          3HD1      LEU  43  -0.670   3.263  -6.512
  346   1HD2  LEU  43          1HD2      LEU  43   3.203   1.634  -6.049
  347   2HD2  LEU  43          2HD2      LEU  43   1.864   0.627  -6.599
  348   3HD2  LEU  43          3HD2      LEU  43   2.453   1.942  -7.614
  349    H    THR  44           H        THR  44   5.000   3.567  -2.895
  350    HA   THR  44           HA       THR  44   4.943   6.301  -2.037
  351    HB   THR  44           HB       THR  44   7.259   5.939  -1.372
  352    HG1  THR  44           HG1      THR  44   6.990   3.510  -2.810
  353   1HG2  THR  44          1HG2      THR  44   5.159   3.917  -0.794
  354   2HG2  THR  44          2HG2      THR  44   6.798   3.518  -0.283
  355   3HG2  THR  44          3HG2      THR  44   6.024   4.988   0.308
  356    H    LYS  45           H        LYS  45   6.661   7.871  -2.710
  357    HA   LYS  45           HA       LYS  45   6.444   8.490  -5.438
  358   1HB   LYS  45          1HB       LYS  45   8.383   9.410  -3.315
  359   2HB   LYS  45          2HB       LYS  45   8.422  10.038  -4.963
  360   1HG   LYS  45          1HG       LYS  45   6.407  11.142  -4.742
  361   2HG   LYS  45          2HG       LYS  45   5.784   9.989  -3.561
  362   1HD   LYS  45          1HD       LYS  45   6.203  11.852  -2.217
  363   2HD   LYS  45          2HD       LYS  45   7.703  10.941  -2.037
  364   1HE   LYS  45          1HE       LYS  45   8.835  12.321  -3.641
  365   2HE   LYS  45          2HE       LYS  45   7.325  13.088  -4.137
  366   1HZ   LYS  45          1HZ       LYS  45   8.458  13.264  -1.400
  367   2HZ   LYS  45          2HZ       LYS  45   8.685  14.444  -2.600
  368   3HZ   LYS  45          3HZ       LYS  45   7.126  14.117  -2.010
  369    H    ARG  46           H        ARG  46   9.322   7.336  -3.677
  370    HA   ARG  46           HA       ARG  46  10.230   6.036  -6.174
  371   1HB   ARG  46          1HB       ARG  46  11.474   8.168  -5.661
  372   2HB   ARG  46          2HB       ARG  46  12.048   7.387  -4.185
  373   1HG   ARG  46          1HG       ARG  46  13.376   5.873  -5.333
  374   2HG   ARG  46          2HG       ARG  46  12.368   5.929  -6.780
  375   1HD   ARG  46          1HD       ARG  46  13.184   8.462  -6.816
  376   2HD   ARG  46          2HD       ARG  46  14.532   7.794  -5.901
  377    HE   ARG  46           HE       ARG  46  15.278   6.797  -7.852
  378   1HH1  ARG  46          1HH1      ARG  46  11.903   7.651  -8.214
  379   2HH1  ARG  46          2HH1      ARG  46  11.856   7.215  -9.887
  380   1HH2  ARG  46          1HH2      ARG  46  15.172   6.240 -10.035
  381   2HH2  ARG  46          2HH2      ARG  46  13.689   6.423 -10.911
  382    H    GLY  47           H        GLY  47   9.227   5.461  -3.085
  383   1HA   GLY  47          1HA       GLY  47   9.640   3.841  -1.500
  384   2HA   GLY  47          2HA       GLY  47  11.247   3.638  -2.191
  385    H    ARG  48           H        ARG  48   8.200   2.275  -1.812
  386    HA   ARG  48           HA       ARG  48   8.310   0.578  -4.181
  387   1HB   ARG  48          1HB       ARG  48   9.292  -0.285  -1.538
  388   2HB   ARG  48          2HB       ARG  48   8.128  -1.385  -2.270
  389   1HG   ARG  48          1HG       ARG  48   9.512  -1.895  -4.044
  390   2HG   ARG  48          2HG       ARG  48  10.300  -0.317  -4.017
  391   1HD   ARG  48          1HD       ARG  48  10.686  -2.457  -1.908
  392   2HD   ARG  48          2HD       ARG  48  11.791  -2.174  -3.249
  393    HE   ARG  48           HE       ARG  48  11.315   0.217  -1.734
  394   1HH1  ARG  48          1HH1      ARG  48  13.125  -2.779  -1.780
  395   2HH1  ARG  48          2HH1      ARG  48  14.405  -2.153  -0.800
  396   1HH2  ARG  48          1HH2      ARG  48  13.005   0.994  -0.459
  397   2HH2  ARG  48          2HH2      ARG  48  14.340  -0.036  -0.058
  398    H    GLN  49           H        GLN  49   6.630  -1.399  -3.544
  399    HA   GLN  49           HA       GLN  49   4.143   0.028  -2.891
  400   1HB   GLN  49          1HB       GLN  49   4.825  -2.318  -4.596
  401   2HB   GLN  49          2HB       GLN  49   3.243  -2.310  -3.815
  402   1HG   GLN  49          1HG       GLN  49   2.593  -0.305  -4.888
  403   2HG   GLN  49          2HG       GLN  49   4.253   0.096  -5.328
  404   2HE2  GLN  49          2HE2      GLN  49   4.121   0.065  -7.610
  405   1HE2  GLN  49          1HE2      GLN  49   3.627  -1.291  -8.505
  406    H    VAL  50           H        VAL  50   2.627  -0.879  -1.426
  407    HA   VAL  50           HA       VAL  50   3.453  -3.203   0.149
  408    HB   VAL  50           HB       VAL  50   2.961  -0.532   1.485
  409   1HG1  VAL  50          1HG1      VAL  50   2.338  -2.718   2.675
  410   2HG1  VAL  50          2HG1      VAL  50   4.065  -3.081   2.680
  411   3HG1  VAL  50          3HG1      VAL  50   3.459  -1.655   3.525
  412   1HG2  VAL  50          1HG2      VAL  50   5.511  -2.066   0.922
  413   2HG2  VAL  50          2HG2      VAL  50   5.111  -0.429   0.404
  414   3HG2  VAL  50          3HG2      VAL  50   5.404  -0.767   2.110
  415    H    CYS  51           H        CYS  51   1.756  -4.368   0.777
  416    HA   CYS  51           HA       CYS  51  -0.912  -3.619   0.063
  417   1HB   CYS  51          1HB       CYS  51   0.184  -5.878   1.754
  418   2HB   CYS  51          2HB       CYS  51  -1.527  -5.694   1.374
  419    H    ALA  52           H        ALA  52  -2.705  -3.299   1.548
  420    HA   ALA  52           HA       ALA  52  -2.254  -2.931   4.348
  421   1HB   ALA  52          1HB       ALA  52  -1.198  -0.865   3.056
  422   2HB   ALA  52          2HB       ALA  52  -2.876  -0.321   3.061
  423   3HB   ALA  52          3HB       ALA  52  -2.055  -0.660   4.583
  424    H    ASP  53           H        ASP  53  -4.110  -2.969   5.440
  425    HA   ASP  53           HA       ASP  53  -6.609  -3.084   3.932
  426   1HB   ASP  53          1HB       ASP  53  -5.675  -3.982   6.586
  427   2HB   ASP  53          2HB       ASP  53  -7.325  -3.361   6.569
  428    H    LYS  54           H        LYS  54  -8.076  -1.487   3.854
  429    HA   LYS  54           HA       LYS  54  -7.467   1.129   4.678
  430   1HB   LYS  54          1HB       LYS  54  -9.849   1.634   4.167
  431   2HB   LYS  54          2HB       LYS  54  -9.061   0.713   2.886
  432   1HG   LYS  54          1HG       LYS  54  -9.995  -1.331   4.381
  433   2HG   LYS  54          2HG       LYS  54 -11.215  -0.115   4.761
  434   1HD   LYS  54          1HD       LYS  54 -11.722   0.204   2.416
  435   2HD   LYS  54          2HD       LYS  54 -10.378  -0.835   1.939
  436   1HE   LYS  54          1HE       LYS  54 -12.401  -1.998   3.793
  437   2HE   LYS  54          2HE       LYS  54 -12.889  -1.760   2.116
  438   1HZ   LYS  54          1HZ       LYS  54 -10.364  -3.111   2.869
  439   2HZ   LYS  54          2HZ       LYS  54 -11.823  -3.953   2.651
  440   3HZ   LYS  54          3HZ       LYS  54 -11.129  -3.099   1.356
  441    H    SER  55           H        SER  55  -9.067  -1.495   6.332
  442    HA   SER  55           HA       SER  55 -10.459  -0.097   8.318
  443   1HB   SER  55          1HB       SER  55 -10.100  -2.729   7.748
  444   2HB   SER  55          2HB       SER  55  -9.116  -2.570   9.198
  445    HG   SER  55           HG       SER  55 -11.608  -2.927   9.226
  446    H    LYS  56           H        LYS  56  -7.044  -0.621   7.902
  447    HA   LYS  56           HA       LYS  56  -6.122  -0.331  10.531
  448   1HB   LYS  56          1HB       LYS  56  -4.961   0.191   7.830
  449   2HB   LYS  56          2HB       LYS  56  -4.118   0.837   9.238
  450   1HG   LYS  56          1HG       LYS  56  -3.187  -1.323   8.926
  451   2HG   LYS  56          2HG       LYS  56  -4.346  -1.524  10.240
  452   1HD   LYS  56          1HD       LYS  56  -6.049  -2.244   8.531
  453   2HD   LYS  56          2HD       LYS  56  -4.765  -2.219   7.321
  454   1HE   LYS  56          1HE       LYS  56  -4.446  -3.782   9.879
  455   2HE   LYS  56          2HE       LYS  56  -5.284  -4.477   8.492
  456   1HZ   LYS  56          1HZ       LYS  56  -3.237  -3.765   7.185
  457   2HZ   LYS  56          2HZ       LYS  56  -2.472  -3.594   8.692
  458   3HZ   LYS  56          3HZ       LYS  56  -3.078  -5.106   8.210
  459    H    ASP  57           H        ASP  57  -4.596   1.746  10.950
  460    HA   ASP  57           HA       ASP  57  -6.487   3.989  11.087
  461   1HB   ASP  57          1HB       ASP  57  -5.042   2.970  13.069
  462   2HB   ASP  57          2HB       ASP  57  -3.821   4.070  12.427
  463    H    TRP  58           H        TRP  58  -2.954   3.705  10.658
  464    HA   TRP  58           HA       TRP  58  -2.642   6.217   9.444
  465   1HB   TRP  58          1HB       TRP  58  -0.447   5.373   8.639
  466   2HB   TRP  58          2HB       TRP  58  -0.711   5.098  10.357
  467    HD1  TRP  58           HD1      TRP  58  -1.224   2.583  11.140
  468    HE1  TRP  58           HE1      TRP  58  -0.613   0.325  10.062
  469    HE3  TRP  58           HE3      TRP  58  -0.148   4.131   6.399
  470    HZ2  TRP  58           HZ2      TRP  58   0.222  -0.696   7.513
  471    HZ3  TRP  58           HZ3      TRP  58   0.554   2.503   4.669
  472    HH2  TRP  58           HH2      TRP  58   0.737   0.094   5.220
  473    H    VAL  59           H        VAL  59  -3.610   3.146   8.119
  474    HA   VAL  59           HA       VAL  59  -3.150   3.835   5.368
  475    HB   VAL  59           HB       VAL  59  -5.085   1.789   6.485
  476   1HG1  VAL  59          1HG1      VAL  59  -3.998   2.464   3.787
  477   2HG1  VAL  59          2HG1      VAL  59  -4.214   0.757   4.173
  478   3HG1  VAL  59          3HG1      VAL  59  -5.592   1.856   4.235
  479   1HG2  VAL  59          1HG2      VAL  59  -2.783   1.465   7.353
  480   2HG2  VAL  59          2HG2      VAL  59  -3.239   0.185   6.228
  481   3HG2  VAL  59          3HG2      VAL  59  -2.170   1.484   5.700
  482    H    LYS  60           H        LYS  60  -5.765   4.191   7.668
  483    HA   LYS  60           HA       LYS  60  -7.818   4.870   5.830
  484   1HB   LYS  60          1HB       LYS  60  -7.820   4.291   8.448
  485   2HB   LYS  60          2HB       LYS  60  -7.849   6.051   8.559
  486   1HG   LYS  60          1HG       LYS  60  -9.833   6.157   7.154
  487   2HG   LYS  60          2HG       LYS  60  -9.771   4.415   6.878
  488   1HD   LYS  60          1HD       LYS  60 -11.254   4.383   8.624
  489   2HD   LYS  60          2HD       LYS  60  -9.775   4.441   9.582
  490   1HE   LYS  60          1HE       LYS  60 -10.000   7.026   9.350
  491   2HE   LYS  60          2HE       LYS  60 -11.674   6.681   8.914
  492   1HZ   LYS  60          1HZ       LYS  60 -11.925   5.461  10.982
  493   2HZ   LYS  60          2HZ       LYS  60 -10.312   5.794  11.400
  494   3HZ   LYS  60          3HZ       LYS  60 -11.442   7.058  11.286
  495    H    LYS  61           H        LYS  61  -5.702   6.886   7.877
  496    HA   LYS  61           HA       LYS  61  -6.674   9.383   7.046
  497   1HB   LYS  61          1HB       LYS  61  -5.080   8.923   8.973
  498   2HB   LYS  61          2HB       LYS  61  -3.794   8.829   7.769
  499   1HG   LYS  61          1HG       LYS  61  -3.954  11.085   7.218
  500   2HG   LYS  61          2HG       LYS  61  -5.631  11.201   7.754
  501   1HD   LYS  61          1HD       LYS  61  -3.393  10.647   9.702
  502   2HD   LYS  61          2HD       LYS  61  -3.840  12.294   9.256
  503   1HE   LYS  61          1HE       LYS  61  -6.041  12.046  10.124
  504   2HE   LYS  61          2HE       LYS  61  -5.884  10.293  10.228
  505   1HZ   LYS  61          1HZ       LYS  61  -4.127  10.626  11.894
  506   2HZ   LYS  61          2HZ       LYS  61  -4.411  12.300  11.846
  507   3HZ   LYS  61          3HZ       LYS  61  -5.625  11.250  12.397
  508    H    LEU  62           H        LEU  62  -3.961   7.463   5.782
  509    HA   LEU  62           HA       LEU  62  -3.205   9.284   3.750
  510   1HB   LEU  62          1HB       LEU  62  -2.927   6.289   3.916
  511   2HB   LEU  62          2HB       LEU  62  -2.197   7.266   2.663
  512    HG   LEU  62           HG       LEU  62  -1.573   8.059   5.454
  513   1HD1  LEU  62          1HD1      LEU  62  -1.547   5.404   5.067
  514   2HD1  LEU  62          2HD1      LEU  62   0.018   5.793   4.353
  515   3HD1  LEU  62          3HD1      LEU  62  -0.317   6.223   6.031
  516   1HD2  LEU  62          1HD2      LEU  62  -0.340   8.046   2.746
  517   2HD2  LEU  62          2HD2      LEU  62  -0.289   9.285   3.999
  518   3HD2  LEU  62          3HD2      LEU  62   0.768   7.877   4.108
  519    H    MET  63           H        MET  63  -5.444   6.563   3.833
  520    HA   MET  63           HA       MET  63  -6.126   6.417   1.127
  521   1HB   MET  63          1HB       MET  63  -7.428   5.645   3.676
  522   2HB   MET  63          2HB       MET  63  -8.496   5.808   2.282
  523   1HG   MET  63          1HG       MET  63  -6.576   4.419   1.082
  524   2HG   MET  63          2HG       MET  63  -6.241   3.891   2.731
  525   1HE   MET  63          1HE       MET  63  -7.163   2.900  -0.057
  526   2HE   MET  63          2HE       MET  63  -8.242   1.527   0.223
  527   3HE   MET  63          3HE       MET  63  -8.892   3.058  -0.356
  528    H    GLN  64           H        GLN  64  -7.070   8.739   3.570
  529    HA   GLN  64           HA       GLN  64  -9.029   9.950   1.734
  530   1HB   GLN  64          1HB       GLN  64  -9.567   9.528   4.196
  531   2HB   GLN  64          2HB       GLN  64  -8.431  10.829   4.558
  532   1HG   GLN  64          1HG       GLN  64  -9.724  12.383   3.176
  533   2HG   GLN  64          2HG       GLN  64 -10.834  11.088   2.726
  534   2HE2  GLN  64          2HE2      GLN  64 -10.064  13.420   5.196
  535   1HE2  GLN  64          1HE2      GLN  64 -11.295  12.979   6.278
  536    H    GLN  65           H        GLN  65  -5.918  10.488   3.237
  537    HA   GLN  65           HA       GLN  65  -5.743  13.275   2.551
  538   1HB   GLN  65          1HB       GLN  65  -3.866  11.218   3.651
  539   2HB   GLN  65          2HB       GLN  65  -3.210  12.720   3.003
  540   1HG   GLN  65          1HG       GLN  65  -5.254  13.695   4.511
  541   2HG   GLN  65          2HG       GLN  65  -4.828  12.261   5.445
  542   2HE2  GLN  65          2HE2      GLN  65  -3.711  13.293   7.176
  543   1HE2  GLN  65          1HE2      GLN  65  -2.293  14.198   6.952
  544    H    LEU  66           H        LEU  66  -4.850  10.242   1.042
  545    HA   LEU  66           HA       LEU  66  -3.308  11.561  -1.051
  546   1HB   LEU  66          1HB       LEU  66  -3.931   8.735  -0.334
  547   2HB   LEU  66          2HB       LEU  66  -3.399   9.105  -1.956
  548    HG   LEU  66           HG       LEU  66  -1.497   8.430  -0.660
  549   1HD1  LEU  66          1HD1      LEU  66  -1.464  10.583  -2.183
  550   2HD1  LEU  66          2HD1      LEU  66  -1.176  11.405  -0.650
  551   3HD1  LEU  66          3HD1      LEU  66  -0.055  10.163  -1.211
  552   1HD2  LEU  66          1HD2      LEU  66  -2.464   8.919   1.569
  553   2HD2  LEU  66          2HD2      LEU  66  -0.844   9.595   1.401
  554   3HD2  LEU  66          3HD2      LEU  66  -2.255  10.644   1.264
  555    HA   PRO  67           HA       PRO  67  -6.633  11.765  -3.958
  556   1HB   PRO  67          1HB       PRO  67  -5.365  11.259  -6.327
  557   2HB   PRO  67          2HB       PRO  67  -5.204  12.764  -5.424
  558   1HG   PRO  67          1HG       PRO  67  -3.270  10.554  -5.727
  559   2HG   PRO  67          2HG       PRO  67  -2.979  12.270  -5.413
  560   1HD   PRO  67          1HD       PRO  67  -2.894  10.186  -3.507
  561   2HD   PRO  67          2HD       PRO  67  -2.906  11.929  -3.156
  562    H    VAL  68           H        VAL  68  -4.516   9.145  -4.993
  563    HA   VAL  68           HA       VAL  68  -5.032   6.809  -4.839
  564    HB   VAL  68           HB       VAL  68  -7.469   7.348  -4.153
  565   1HG1  VAL  68          1HG1      VAL  68  -7.875   8.419  -6.518
  566   2HG1  VAL  68          2HG1      VAL  68  -8.107   6.747  -7.031
  567   3HG1  VAL  68          3HG1      VAL  68  -9.146   7.439  -5.784
  568   1HG2  VAL  68          1HG2      VAL  68  -6.501   5.091  -4.278
  569   2HG2  VAL  68          2HG2      VAL  68  -8.178   5.090  -4.820
  570   3HG2  VAL  68          3HG2      VAL  68  -6.871   5.025  -6.000
  571    H    THR  69           H        THR  69  -4.987   5.316  -6.571
  572    HA   THR  69           HA       THR  69  -5.059   6.496  -9.264
  573    HB   THR  69           HB       THR  69  -2.719   6.610  -8.580
  574    HG1  THR  69           HG1      THR  69  -3.114   4.383 -10.282
  575   1HG2  THR  69          1HG2      THR  69  -3.287   4.329  -7.106
  576   2HG2  THR  69          2HG2      THR  69  -2.282   3.718  -8.420
  577   3HG2  THR  69          3HG2      THR  69  -1.679   5.002  -7.375
  578    H    ALA  70           H        ALA  70  -6.451   5.322 -10.385
  579    HA   ALA  70           HA       ALA  70  -6.147   2.454 -10.583
  580   1HB   ALA  70          1HB       ALA  70  -7.549   2.137  -8.784
  581   2HB   ALA  70          2HB       ALA  70  -8.384   3.670  -9.027
  582   3HB   ALA  70          3HB       ALA  70  -8.751   2.292 -10.065
  583    H    ARG  71           H        ARG  71  -6.043   2.454 -12.750
  584    HA   ARG  71           HA       ARG  71  -8.429   3.312 -14.224
  585   1HB   ARG  71          1HB       ARG  71  -5.623   4.257 -14.851
  586   2HB   ARG  71          2HB       ARG  71  -6.984   4.395 -15.965
  587   1HG   ARG  71          1HG       ARG  71  -8.183   5.542 -13.932
  588   2HG   ARG  71          2HG       ARG  71  -6.539   5.797 -13.345
  589   1HD   ARG  71          1HD       ARG  71  -5.960   6.884 -15.498
  590   2HD   ARG  71          2HD       ARG  71  -7.622   6.672 -16.037
  591    HE   ARG  71           HE       ARG  71  -8.203   8.507 -14.753
  592   1HH1  ARG  71          1HH1      ARG  71  -5.134   7.245 -13.635
  593   2HH1  ARG  71          2HH1      ARG  71  -4.880   8.542 -12.518
  594   1HH2  ARG  71          1HH2      ARG  71  -7.831  10.178 -13.284
  595   2HH2  ARG  71          2HH2      ARG  71  -6.392  10.188 -12.320

  No H/Q in entry =         595
  Start of MODEL   23
    1    H1   LEU   1           H1       LEU   1  13.529 -14.376  -1.928
    2    H2   LEU   1           H2       LEU   1  14.448 -13.210  -1.105
    3    H3   LEU   1           H3       LEU   1  14.887 -14.845  -1.021
    4    HA   LEU   1           HA       LEU   1  13.810 -14.184   1.022
    5   1HB   LEU   1          1HB       LEU   1  12.442 -12.394  -0.267
    6   2HB   LEU   1          2HB       LEU   1  11.311 -13.706  -0.598
    7    HG   LEU   1           HG       LEU   1  12.263 -13.190   2.211
    8   1HD1  LEU   1          1HD1      LEU   1  10.109 -11.739   0.665
    9   2HD1  LEU   1          2HD1      LEU   1  10.067 -11.869   2.424
   10   3HD1  LEU   1          3HD1      LEU   1  11.411 -11.046   1.633
   11   1HD2  LEU   1          1HD2      LEU   1   9.930 -14.552   0.867
   12   2HD2  LEU   1          2HD2      LEU   1  11.075 -15.224   2.028
   13   3HD2  LEU   1          3HD2      LEU   1   9.846 -14.076   2.562
   14    H    GLY   2           H        GLY   2  13.994 -16.300   1.554
   15   1HA   GLY   2          1HA       GLY   2  11.726 -18.017   1.223
   16   2HA   GLY   2          2HA       GLY   2  13.252 -18.446   1.990
   17    H    ALA   3           H        ALA   3  12.106 -20.357   0.516
   18    HA   ALA   3           HA       ALA   3  13.508 -20.316  -2.088
   19   1HB   ALA   3          1HB       ALA   3  13.355 -22.674  -0.194
   20   2HB   ALA   3          2HB       ALA   3  14.782 -21.665  -0.439
   21   3HB   ALA   3          3HB       ALA   3  14.156 -22.644  -1.766
   22    H    SER   4           H        SER   4  10.725 -19.772  -1.461
   23    HA   SER   4           HA       SER   4   9.292 -22.158  -2.374
   24   1HB   SER   4          1HB       SER   4   8.498 -20.424  -0.560
   25   2HB   SER   4          2HB       SER   4   7.979 -19.495  -1.963
   26    HG   SER   4           HG       SER   4   6.372 -20.823  -2.145
   27    H    TRP   5           H        TRP   5   7.317 -21.284  -3.905
   28    HA   TRP   5           HA       TRP   5   8.294 -19.551  -6.025
   29   1HB   TRP   5          1HB       TRP   5   7.959 -21.302  -7.783
   30   2HB   TRP   5          2HB       TRP   5   9.332 -21.621  -6.725
   31    HD1  TRP   5           HD1      TRP   5   9.180 -23.656  -5.068
   32    HE1  TRP   5           HE1      TRP   5   7.566 -25.660  -4.900
   33    HE3  TRP   5           HE3      TRP   5   5.443 -22.042  -8.152
   34    HZ2  TRP   5           HZ2      TRP   5   5.027 -26.472  -5.938
   35    HZ3  TRP   5           HZ3      TRP   5   3.441 -23.449  -8.545
   36    HH2  TRP   5           HH2      TRP   5   3.228 -25.659  -7.442
   37    H    HIS   6           H        HIS   6   6.662 -18.660  -7.197
   38    HA   HIS   6           HA       HIS   6   4.071 -19.768  -7.499
   39   1HB   HIS   6          1HB       HIS   6   2.831 -18.133  -6.064
   40   2HB   HIS   6          2HB       HIS   6   3.766 -19.311  -5.142
   41    HD1  HIS   6           HD1      HIS   6   3.101 -15.837  -5.158
   42    HD2  HIS   6           HD2      HIS   6   6.585 -18.073  -4.678
   43    HE1  HIS   6           HE1      HIS   6   4.776 -14.317  -4.018
   44    H    ARG   7           H        ARG   7   2.597 -18.303  -8.589
   45    HA   ARG   7           HA       ARG   7   3.775 -15.798  -9.565
   46   1HB   ARG   7          1HB       ARG   7   3.158 -16.419 -11.919
   47   2HB   ARG   7          2HB       ARG   7   4.486 -17.372 -11.254
   48   1HG   ARG   7          1HG       ARG   7   3.194 -19.290 -11.051
   49   2HG   ARG   7          2HG       ARG   7   1.685 -18.385 -10.922
   50   1HD   ARG   7          1HD       ARG   7   1.532 -19.239 -13.086
   51   2HD   ARG   7          2HD       ARG   7   2.227 -17.648 -13.376
   52    HE   ARG   7           HE       ARG   7   4.096 -18.721 -14.199
   53   1HH1  ARG   7          1HH1      ARG   7   2.429 -20.883 -12.008
   54   2HH1  ARG   7          2HH1      ARG   7   3.514 -22.198 -12.299
   55   1HH2  ARG   7          1HH2      ARG   7   5.487 -20.462 -14.549
   56   2HH2  ARG   7          2HH2      ARG   7   5.232 -21.964 -13.725
   57    HA   PRO   8           HA       PRO   8  -0.840 -15.671  -8.884
   58   1HB   PRO   8          1HB       PRO   8  -0.871 -13.983  -6.736
   59   2HB   PRO   8          2HB       PRO   8  -0.767 -15.744  -6.598
   60   1HG   PRO   8          1HG       PRO   8   1.325 -13.703  -6.156
   61   2HG   PRO   8          2HG       PRO   8   1.189 -15.340  -5.498
   62   1HD   PRO   8          1HD       PRO   8   2.856 -14.501  -7.652
   63   2HD   PRO   8          2HD       PRO   8   2.560 -16.173  -7.119
   64    H    ASP   9           H        ASP   9  -2.260 -13.621  -8.742
   65    HA   ASP   9           HA       ASP   9  -1.419 -11.791 -10.755
   66   1HB   ASP   9          1HB       ASP   9  -3.786 -11.832  -8.884
   67   2HB   ASP   9          2HB       ASP   9  -3.529 -10.537 -10.053
   68    H    LYS  10           H        LYS  10  -2.601 -10.842  -7.550
   69    HA   LYS  10           HA       LYS  10  -0.260  -9.577  -6.637
   70   1HB   LYS  10          1HB       LYS  10  -1.279  -8.159  -8.759
   71   2HB   LYS  10          2HB       LYS  10  -2.045  -7.353  -7.390
   72   1HG   LYS  10          1HG       LYS  10   0.915  -7.954  -7.420
   73   2HG   LYS  10          2HG       LYS  10   0.263  -6.472  -8.119
   74   1HD   LYS  10          1HD       LYS  10  -0.738  -5.854  -5.986
   75   2HD   LYS  10          2HD       LYS  10  -0.227  -7.382  -5.269
   76   1HE   LYS  10          1HE       LYS  10   1.292  -5.470  -4.701
   77   2HE   LYS  10          2HE       LYS  10   2.113  -6.785  -5.539
   78   1HZ   LYS  10          1HZ       LYS  10   0.950  -4.584  -7.100
   79   2HZ   LYS  10          2HZ       LYS  10   2.440  -4.348  -6.318
   80   3HZ   LYS  10          3HZ       LYS  10   2.275  -5.584  -7.467
   81    H    CYS  11           H        CYS  11  -2.390 -11.143  -5.600
   82    HA   CYS  11           HA       CYS  11  -4.327  -9.666  -4.182
   83   1HB   CYS  11          1HB       CYS  11  -3.051 -12.281  -3.345
   84   2HB   CYS  11          2HB       CYS  11  -4.611 -11.653  -2.817
   85    H    CYS  12           H        CYS  12  -1.084 -10.782  -3.267
   86    HA   CYS  12           HA       CYS  12   0.351 -10.114  -1.601
   87   1HB   CYS  12          1HB       CYS  12  -0.334  -7.836  -2.668
   88   2HB   CYS  12          2HB       CYS  12  -1.292  -7.630  -1.201
   89    H    LEU  13           H        LEU  13  -0.600 -11.876  -0.350
   90    HA   LEU  13           HA       LEU  13  -2.723 -11.521   1.479
   91   1HB   LEU  13          1HB       LEU  13  -1.606 -13.697   0.734
   92   2HB   LEU  13          2HB       LEU  13  -0.369 -13.340   1.920
   93    HG   LEU  13           HG       LEU  13  -3.245 -13.409   2.769
   94   1HD1  LEU  13          1HD1      LEU  13  -2.851 -15.481   1.462
   95   2HD1  LEU  13          2HD1      LEU  13  -1.434 -15.824   2.455
   96   3HD1  LEU  13          3HD1      LEU  13  -3.042 -15.821   3.182
   97   1HD2  LEU  13          1HD2      LEU  13  -0.578 -14.060   4.061
   98   2HD2  LEU  13          2HD2      LEU  13  -1.585 -12.647   4.380
   99   3HD2  LEU  13          3HD2      LEU  13  -2.139 -14.252   4.859
  100    H    GLY  14           H        GLY  14   0.770 -11.089   1.779
  101   1HA   GLY  14          1HA       GLY  14   2.057 -10.263   3.534
  102   2HA   GLY  14          2HA       GLY  14   0.634 -10.341   4.568
  103    H    TYR  15           H        TYR  15   1.106  -8.265   5.415
  104    HA   TYR  15           HA       TYR  15   0.698  -6.030   3.520
  105   1HB   TYR  15          1HB       TYR  15  -0.548  -6.411   6.251
  106   2HB   TYR  15          2HB       TYR  15  -0.559  -4.881   5.375
  107    HD1  TYR  15           HD1      TYR  15  -1.809  -4.633   3.277
  108    HD2  TYR  15           HD2      TYR  15  -1.883  -8.305   5.499
  109    HE1  TYR  15           HE1      TYR  15  -3.766  -5.386   1.960
  110    HE2  TYR  15           HE2      TYR  15  -3.842  -9.063   4.179
  111    HH   TYR  15           HH       TYR  15  -4.871  -7.455   1.332
  112    H    GLN  16           H        GLN  16   1.224  -3.880   4.717
  113    HA   GLN  16           HA       GLN  16   3.970  -3.850   5.291
  114   1HB   GLN  16          1HB       GLN  16   2.682  -1.861   4.530
  115   2HB   GLN  16          2HB       GLN  16   1.916  -1.782   6.110
  116   1HG   GLN  16          1HG       GLN  16   3.852  -0.214   5.882
  117   2HG   GLN  16          2HG       GLN  16   4.056  -1.375   7.187
  118   2HE2  GLN  16          2HE2      GLN  16   4.494  -2.302   3.776
  119   1HE2  GLN  16          1HE2      GLN  16   6.170  -2.529   3.885
  120    H    LYS  17           H        LYS  17   1.243  -3.354   7.503
  121    HA   LYS  17           HA       LYS  17   0.940  -4.089   9.686
  122   1HB   LYS  17          1HB       LYS  17   2.917  -5.786   9.105
  123   2HB   LYS  17          2HB       LYS  17   3.811  -4.709  10.177
  124   1HG   LYS  17          1HG       LYS  17   1.871  -4.960  11.823
  125   2HG   LYS  17          2HG       LYS  17   1.306  -6.283  10.800
  126   1HD   LYS  17          1HD       LYS  17   3.563  -7.357  11.053
  127   2HD   LYS  17          2HD       LYS  17   3.979  -6.098  12.216
  128   1HE   LYS  17          1HE       LYS  17   1.667  -6.858  13.309
  129   2HE   LYS  17          2HE       LYS  17   2.057  -8.368  12.486
  130   1HZ   LYS  17          1HZ       LYS  17   4.073  -6.977  14.128
  131   2HZ   LYS  17          2HZ       LYS  17   2.930  -8.009  14.848
  132   3HZ   LYS  17          3HZ       LYS  17   4.009  -8.613  13.681
  133    H    ARG  18           H        ARG  18   3.912  -2.312   8.916
  134    HA   ARG  18           HA       ARG  18   3.560  -0.710  11.354
  135   1HB   ARG  18          1HB       ARG  18   5.809   0.216  10.765
  136   2HB   ARG  18          2HB       ARG  18   5.820  -1.529  11.027
  137   1HG   ARG  18          1HG       ARG  18   5.890  -1.983   8.687
  138   2HG   ARG  18          2HG       ARG  18   5.486  -0.315   8.279
  139   1HD   ARG  18          1HD       ARG  18   7.617   0.456   8.711
  140   2HD   ARG  18          2HD       ARG  18   7.935  -0.785   9.919
  141    HE   ARG  18           HE       ARG  18   7.728  -2.109   7.481
  142   1HH1  ARG  18          1HH1      ARG  18   9.753   0.373   8.893
  143   2HH1  ARG  18          2HH1      ARG  18  11.134  -0.052   7.941
  144   1HH2  ARG  18          1HH2      ARG  18   9.552  -2.629   6.259
  145   2HH2  ARG  18          2HH2      ARG  18  11.022  -1.737   6.461
  146    HA   PRO  19           HA       PRO  19   1.985   2.593   8.857
  147   1HB   PRO  19          1HB       PRO  19   2.270   4.654  10.626
  148   2HB   PRO  19          2HB       PRO  19   1.032   3.399  10.768
  149   1HG   PRO  19          1HG       PRO  19   3.474   3.805  12.371
  150   2HG   PRO  19          2HG       PRO  19   1.983   2.946  12.784
  151   1HD   PRO  19          1HD       PRO  19   4.466   1.790  11.959
  152   2HD   PRO  19          2HD       PRO  19   2.925   0.947  12.238
  153    H    LEU  20           H        LEU  20   2.801   3.804   7.254
  154    HA   LEU  20           HA       LEU  20   5.574   4.790   7.500
  155   1HB   LEU  20          1HB       LEU  20   4.223   4.913   4.875
  156   2HB   LEU  20          2HB       LEU  20   5.866   4.467   5.272
  157    HG   LEU  20           HG       LEU  20   3.404   2.716   5.408
  158   1HD1  LEU  20          1HD1      LEU  20   5.799   2.974   3.629
  159   2HD1  LEU  20          2HD1      LEU  20   5.118   1.369   3.894
  160   3HD1  LEU  20          3HD1      LEU  20   4.119   2.648   3.203
  161   1HD2  LEU  20          1HD2      LEU  20   6.102   2.464   6.653
  162   2HD2  LEU  20          2HD2      LEU  20   4.549   1.835   7.203
  163   3HD2  LEU  20          3HD2      LEU  20   5.423   1.017   5.908
  164    HA   PRO  21           HA       PRO  21   4.112   8.958   7.303
  165   1HB   PRO  21          1HB       PRO  21   6.176  10.217   6.017
  166   2HB   PRO  21          2HB       PRO  21   6.259   9.635   7.691
  167   1HG   PRO  21          1HG       PRO  21   7.537   8.540   5.266
  168   2HG   PRO  21          2HG       PRO  21   7.998   8.356   6.962
  169   1HD   PRO  21          1HD       PRO  21   6.626   6.445   5.340
  170   2HD   PRO  21          2HD       PRO  21   6.946   6.336   7.087
  171    H    GLN  22           H        GLN  22   2.655  10.005   6.091
  172    HA   GLN  22           HA       GLN  22   2.046   9.303   3.428
  173   1HB   GLN  22          1HB       GLN  22   0.435  10.341   5.030
  174   2HB   GLN  22          2HB       GLN  22   1.302  11.867   4.862
  175   1HG   GLN  22          1HG       GLN  22   0.535  10.583   2.307
  176   2HG   GLN  22          2HG       GLN  22  -0.815  11.135   3.296
  177   2HE2  GLN  22          2HE2      GLN  22  -1.244  12.898   1.748
  178   1HE2  GLN  22          1HE2      GLN  22  -0.238  14.264   1.696
  179    H    VAL  23           H        VAL  23   4.127  11.752   4.808
  180    HA   VAL  23           HA       VAL  23   4.435  13.419   2.573
  181    HB   VAL  23           HB       VAL  23   5.230  14.140   4.736
  182   1HG1  VAL  23          1HG1      VAL  23   6.885  11.631   4.581
  183   2HG1  VAL  23          2HG1      VAL  23   7.362  12.969   5.625
  184   3HG1  VAL  23          3HG1      VAL  23   5.810  12.168   5.869
  185   1HG2  VAL  23          1HG2      VAL  23   6.604  14.623   2.514
  186   2HG2  VAL  23          2HG2      VAL  23   7.207  15.150   4.085
  187   3HG2  VAL  23          3HG2      VAL  23   7.839  13.678   3.347
  188    H    LEU  24           H        LEU  24   5.882  10.352   3.397
  189    HA   LEU  24           HA       LEU  24   7.812  10.448   1.234
  190   1HB   LEU  24          1HB       LEU  24   8.591   9.205   3.037
  191   2HB   LEU  24          2HB       LEU  24   7.027   8.509   3.368
  192    HG   LEU  24           HG       LEU  24   8.895   6.964   2.511
  193   1HD1  LEU  24          1HD1      LEU  24   6.221   6.761   2.470
  194   2HD1  LEU  24          2HD1      LEU  24   6.514   6.718   0.733
  195   3HD1  LEU  24          3HD1      LEU  24   7.263   5.516   1.783
  196   1HD2  LEU  24          1HD2      LEU  24   9.029   8.831   0.465
  197   2HD2  LEU  24          2HD2      LEU  24   9.699   7.201   0.402
  198   3HD2  LEU  24          3HD2      LEU  24   8.100   7.522  -0.265
  199    H    LEU  25           H        LEU  25   4.782   8.841   1.990
  200    HA   LEU  25           HA       LEU  25   4.589   7.290  -0.372
  201   1HB   LEU  25          1HB       LEU  25   3.235   7.350   1.955
  202   2HB   LEU  25          2HB       LEU  25   2.105   8.207   0.938
  203    HG   LEU  25           HG       LEU  25   1.825   6.303  -0.492
  204   1HD1  LEU  25          1HD1      LEU  25   4.335   5.411   0.842
  205   2HD1  LEU  25          2HD1      LEU  25   3.166   4.158   0.427
  206   3HD1  LEU  25          3HD1      LEU  25   3.818   5.207  -0.831
  207   1HD2  LEU  25          1HD2      LEU  25   1.790   5.788   2.471
  208   2HD2  LEU  25          2HD2      LEU  25   0.432   6.028   1.372
  209   3HD2  LEU  25          3HD2      LEU  25   1.323   4.507   1.352
  210    H    SER  26           H        SER  26   2.568   7.576  -1.837
  211    HA   SER  26           HA       SER  26   2.273  10.416  -2.605
  212   1HB   SER  26          1HB       SER  26   3.932   9.464  -4.110
  213   2HB   SER  26          2HB       SER  26   2.867   8.115  -4.479
  214    HG   SER  26           HG       SER  26   2.793   9.834  -6.037
  215    H    SER  27           H        SER  27   1.143   7.307  -3.937
  216    HA   SER  27           HA       SER  27  -1.638   8.100  -3.326
  217   1HB   SER  27          1HB       SER  27  -1.176   6.758  -5.925
  218   2HB   SER  27          2HB       SER  27  -2.362   7.980  -5.484
  219    HG   SER  27           HG       SER  27  -0.742   9.529  -5.590
  220    H    TRP  28           H        TRP  28  -2.943   5.984  -4.482
  221    HA   TRP  28           HA       TRP  28  -1.683   3.490  -3.659
  222   1HB   TRP  28          1HB       TRP  28  -3.604   2.910  -2.143
  223   2HB   TRP  28          2HB       TRP  28  -2.549   4.176  -1.520
  224    HD1  TRP  28           HD1      TRP  28  -3.444   6.695  -1.612
  225    HE1  TRP  28           HE1      TRP  28  -5.838   7.649  -1.678
  226    HE3  TRP  28           HE3      TRP  28  -6.030   2.500  -2.983
  227    HZ2  TRP  28           HZ2      TRP  28  -8.494   6.749  -2.246
  228    HZ3  TRP  28           HZ3      TRP  28  -8.485   2.583  -3.282
  229    HH2  TRP  28           HH2      TRP  28  -9.721   4.701  -2.914
  230    H    TYR  29           H        TYR  29  -2.514   1.745  -4.708
  231    HA   TYR  29           HA       TYR  29  -4.950   2.214  -6.318
  232   1HB   TYR  29          1HB       TYR  29  -4.040   0.900  -8.127
  233   2HB   TYR  29          2HB       TYR  29  -2.894   2.173  -7.729
  234    HD1  TYR  29           HD1      TYR  29  -0.913   1.570  -6.175
  235    HD2  TYR  29           HD2      TYR  29  -3.404  -1.362  -8.088
  236    HE1  TYR  29           HE1      TYR  29   0.848  -0.140  -5.852
  237    HE2  TYR  29           HE2      TYR  29  -1.640  -3.072  -7.762
  238    HH   TYR  29           HH       TYR  29   0.510  -3.140  -5.791
  239    HA   PRO  30           HA       PRO  30  -6.365  -1.430  -4.236
  240   1HB   PRO  30          1HB       PRO  30  -8.594  -1.933  -5.731
  241   2HB   PRO  30          2HB       PRO  30  -8.479  -0.625  -4.545
  242   1HG   PRO  30          1HG       PRO  30  -8.468  -0.486  -7.498
  243   2HG   PRO  30          2HG       PRO  30  -8.942   0.739  -6.314
  244   1HD   PRO  30          1HD       PRO  30  -6.486   0.622  -7.746
  245   2HD   PRO  30          2HD       PRO  30  -6.883   1.715  -6.400
  246    H    THR  31           H        THR  31  -6.416  -3.673  -4.393
  247    HA   THR  31           HA       THR  31  -5.305  -4.788  -6.886
  248    HB   THR  31           HB       THR  31  -3.972  -5.230  -4.894
  249    HG1  THR  31           HG1      THR  31  -4.135  -7.560  -4.943
  250   1HG2  THR  31          1HG2      THR  31  -6.638  -5.893  -3.780
  251   2HG2  THR  31          2HG2      THR  31  -5.301  -6.918  -3.258
  252   3HG2  THR  31          3HG2      THR  31  -5.233  -5.177  -2.991
  253    H    SER  32           H        SER  32  -5.974  -7.312  -6.929
  254    HA   SER  32           HA       SER  32  -8.637  -7.392  -7.820
  255   1HB   SER  32          1HB       SER  32  -7.095  -9.043  -8.628
  256   2HB   SER  32          2HB       SER  32  -6.758  -9.613  -6.996
  257    HG   SER  32           HG       SER  32  -9.183  -9.802  -8.461
  258    H    GLN  33           H        GLN  33 -10.536  -8.033  -6.917
  259    HA   GLN  33           HA       GLN  33 -10.640  -8.072  -3.997
  260   1HB   GLN  33          1HB       GLN  33 -12.227  -6.702  -5.436
  261   2HB   GLN  33          2HB       GLN  33 -12.974  -8.229  -5.907
  262   1HG   GLN  33          1HG       GLN  33 -13.867  -8.600  -3.818
  263   2HG   GLN  33          2HG       GLN  33 -12.555  -7.757  -2.992
  264   2HE2  GLN  33          2HE2      GLN  33 -13.730  -6.174  -1.831
  265   1HE2  GLN  33          1HE2      GLN  33 -14.739  -5.025  -2.569
  266    H    LEU  34           H        LEU  34 -11.040 -10.227  -6.719
  267    HA   LEU  34           HA       LEU  34 -12.518 -12.294  -5.562
  268   1HB   LEU  34          1HB       LEU  34 -10.339 -12.325  -7.635
  269   2HB   LEU  34          2HB       LEU  34 -11.173 -13.781  -7.142
  270    HG   LEU  34           HG       LEU  34 -12.217 -13.063  -9.149
  271   1HD1  LEU  34          1HD1      LEU  34 -13.713 -13.602  -7.106
  272   2HD1  LEU  34          2HD1      LEU  34 -14.033 -11.868  -7.058
  273   3HD1  LEU  34          3HD1      LEU  34 -14.468 -12.806  -8.487
  274   1HD2  LEU  34          1HD2      LEU  34 -11.248 -10.679  -8.862
  275   2HD2  LEU  34          2HD2      LEU  34 -12.810 -10.834  -9.666
  276   3HD2  LEU  34          3HD2      LEU  34 -12.734 -10.331  -7.978
  277    H    CYS  35           H        CYS  35  -9.212 -11.336  -5.036
  278    HA   CYS  35           HA       CYS  35  -8.125 -13.722  -4.037
  279   1HB   CYS  35          1HB       CYS  35  -7.522 -10.905  -3.105
  280   2HB   CYS  35          2HB       CYS  35  -6.486 -12.319  -2.901
  281    H    SER  36           H        SER  36  -8.049 -14.650  -2.023
  282    HA   SER  36           HA       SER  36 -10.301 -14.418  -0.353
  283   1HB   SER  36          1HB       SER  36  -8.539 -16.341  -0.571
  284   2HB   SER  36          2HB       SER  36  -7.690 -15.457   0.694
  285    HG   SER  36           HG       SER  36  -9.178 -16.028   2.075
  286    H    LYS  37           H        LYS  37  -7.069 -13.028  -0.128
  287    HA   LYS  37           HA       LYS  37  -8.027 -11.339   2.107
  288   1HB   LYS  37          1HB       LYS  37  -6.168 -13.075   2.596
  289   2HB   LYS  37          2HB       LYS  37  -5.124 -12.003   1.664
  290   1HG   LYS  37          1HG       LYS  37  -5.064 -10.431   3.304
  291   2HG   LYS  37          2HG       LYS  37  -6.781 -10.609   3.667
  292   1HD   LYS  37          1HD       LYS  37  -5.968 -11.538   5.597
  293   2HD   LYS  37          2HD       LYS  37  -5.886 -12.985   4.591
  294   1HE   LYS  37          1HE       LYS  37  -3.702 -13.003   5.260
  295   2HE   LYS  37          2HE       LYS  37  -3.510 -11.826   3.960
  296   1HZ   LYS  37          1HZ       LYS  37  -4.196 -10.160   5.812
  297   2HZ   LYS  37          2HZ       LYS  37  -3.669 -11.384   6.860
  298   3HZ   LYS  37          3HZ       LYS  37  -2.593 -10.719   5.725
  299    HA   PRO  38           HA       PRO  38  -6.782  -8.584  -1.381
  300   1HB   PRO  38          1HB       PRO  38  -9.086  -7.124  -1.478
  301   2HB   PRO  38          2HB       PRO  38  -8.847  -8.640  -2.359
  302   1HG   PRO  38          1HG       PRO  38 -10.492  -8.103   0.038
  303   2HG   PRO  38          2HG       PRO  38 -10.653  -9.379  -1.178
  304   1HD   PRO  38          1HD       PRO  38  -9.521  -9.631   1.430
  305   2HD   PRO  38          2HD       PRO  38  -9.519 -10.856   0.139
  306    H    GLY  39           H        GLY  39  -6.732  -6.145  -1.464
  307   1HA   GLY  39          1HA       GLY  39  -5.591  -5.053   0.854
  308   2HA   GLY  39          2HA       GLY  39  -7.269  -4.518   0.781
  309    H    VAL  40           H        VAL  40  -4.661  -3.054   0.444
  310    HA   VAL  40           HA       VAL  40  -4.817  -2.201  -2.357
  311    HB   VAL  40           HB       VAL  40  -5.055  -0.200  -0.101
  312   1HG1  VAL  40          1HG1      VAL  40  -4.064   0.191  -2.585
  313   2HG1  VAL  40          2HG1      VAL  40  -5.780   0.422  -2.908
  314   3HG1  VAL  40          3HG1      VAL  40  -4.966   1.419  -1.704
  315   1HG2  VAL  40          1HG2      VAL  40  -7.133  -1.419  -1.926
  316   2HG2  VAL  40          2HG2      VAL  40  -7.139  -1.371  -0.163
  317   3HG2  VAL  40          3HG2      VAL  40  -7.383   0.111  -1.086
  318    H    ILE  41           H        ILE  41  -2.935  -1.472  -3.159
  319    HA   ILE  41           HA       ILE  41  -0.598  -1.591  -1.387
  320    HB   ILE  41           HB       ILE  41  -0.938  -1.714  -4.391
  321   1HG1  ILE  41          1HG1      ILE  41   0.342  -3.884  -3.946
  322   2HG1  ILE  41          2HG1      ILE  41   0.040  -3.586  -2.234
  323   1HG2  ILE  41          1HG2      ILE  41   1.072  -0.343  -3.889
  324   2HG2  ILE  41          2HG2      ILE  41   1.672  -1.629  -2.840
  325   3HG2  ILE  41          3HG2      ILE  41   1.510  -1.908  -4.574
  326   1HD1  ILE  41          1HD1      ILE  41  -2.257  -3.466  -4.159
  327   2HD1  ILE  41          2HD1      ILE  41  -1.660  -5.039  -3.632
  328   3HD1  ILE  41          3HD1      ILE  41  -2.260  -3.880  -2.445
  329    H    PHE  42           H        PHE  42   1.022   0.071  -1.522
  330    HA   PHE  42           HA       PHE  42  -0.070   2.704  -2.325
  331   1HB   PHE  42          1HB       PHE  42   1.553   1.918   0.093
  332   2HB   PHE  42          2HB       PHE  42   1.481   3.585  -0.477
  333    HD1  PHE  42           HD1      PHE  42  -0.593   0.727   0.703
  334    HD2  PHE  42           HD2      PHE  42  -0.420   4.946  -0.077
  335    HE1  PHE  42           HE1      PHE  42  -2.771   1.028   1.848
  336    HE2  PHE  42           HE2      PHE  42  -2.599   5.246   1.068
  337    HZ   PHE  42           HZ       PHE  42  -3.772   3.290   2.034
  338    H    LEU  43           H        LEU  43   1.106   3.794  -3.758
  339    HA   LEU  43           HA       LEU  43   3.781   2.779  -4.441
  340   1HB   LEU  43          1HB       LEU  43   2.539   4.983  -5.992
  341   2HB   LEU  43          2HB       LEU  43   3.511   3.638  -6.541
  342    HG   LEU  43           HG       LEU  43   1.261   2.313  -5.801
  343   1HD1  LEU  43          1HD1      LEU  43   0.354   4.751  -5.328
  344   2HD1  LEU  43          2HD1      LEU  43   0.126   4.781  -7.075
  345   3HD1  LEU  43          3HD1      LEU  43  -0.685   3.555  -6.102
  346   1HD2  LEU  43          1HD2      LEU  43   2.316   3.474  -8.319
  347   2HD2  LEU  43          2HD2      LEU  43   1.865   1.810  -7.950
  348   3HD2  LEU  43          3HD2      LEU  43   0.622   2.988  -8.370
  349    H    THR  44           H        THR  44   5.268   3.682  -3.082
  350    HA   THR  44           HA       THR  44   5.040   6.285  -1.983
  351    HB   THR  44           HB       THR  44   7.361   6.001  -1.300
  352    HG1  THR  44           HG1      THR  44   7.282   3.837  -3.124
  353   1HG2  THR  44          1HG2      THR  44   5.444   3.723  -1.085
  354   2HG2  THR  44          2HG2      THR  44   7.090   3.469  -0.506
  355   3HG2  THR  44          3HG2      THR  44   6.104   4.759   0.180
  356    H    LYS  45           H        LYS  45   6.677   8.037  -2.393
  357    HA   LYS  45           HA       LYS  45   6.470   8.995  -5.024
  358   1HB   LYS  45          1HB       LYS  45   8.318   9.752  -2.759
  359   2HB   LYS  45          2HB       LYS  45   8.302  10.607  -4.302
  360   1HG   LYS  45          1HG       LYS  45   6.261  11.569  -3.905
  361   2HG   LYS  45          2HG       LYS  45   5.656  10.167  -3.022
  362   1HD   LYS  45          1HD       LYS  45   5.925  11.566  -1.226
  363   2HD   LYS  45          2HD       LYS  45   7.581  10.964  -1.307
  364   1HE   LYS  45          1HE       LYS  45   8.003  13.237  -1.320
  365   2HE   LYS  45          2HE       LYS  45   7.840  12.961  -3.054
  366   1HZ   LYS  45          1HZ       LYS  45   5.404  13.464  -2.714
  367   2HZ   LYS  45          2HZ       LYS  45   5.824  14.048  -1.179
  368   3HZ   LYS  45          3HZ       LYS  45   6.470  14.779  -2.570
  369    H    ARG  46           H        ARG  46   9.364   7.777  -3.337
  370    HA   ARG  46           HA       ARG  46  10.414   6.874  -5.950
  371   1HB   ARG  46          1HB       ARG  46  11.500   9.003  -5.146
  372   2HB   ARG  46          2HB       ARG  46  12.096   8.084  -3.762
  373   1HG   ARG  46          1HG       ARG  46  13.584   6.868  -5.029
  374   2HG   ARG  46          2HG       ARG  46  12.565   6.925  -6.469
  375   1HD   ARG  46          1HD       ARG  46  13.289   9.070  -7.057
  376   2HD   ARG  46          2HD       ARG  46  13.812   9.449  -5.419
  377    HE   ARG  46           HE       ARG  46  15.872   8.533  -5.941
  378   1HH1  ARG  46          1HH1      ARG  46  13.483   7.340  -8.203
  379   2HH1  ARG  46          2HH1      ARG  46  14.649   6.515  -9.175
  380   1HH2  ARG  46          1HH2      ARG  46  17.361   7.443  -7.237
  381   2HH2  ARG  46          2HH2      ARG  46  16.828   6.571  -8.635
  382    H    GLY  47           H        GLY  47   9.389   5.851  -2.988
  383   1HA   GLY  47          1HA       GLY  47   9.953   4.120  -1.559
  384   2HA   GLY  47          2HA       GLY  47  11.528   4.034  -2.337
  385    H    ARG  48           H        ARG  48   8.548   2.543  -1.958
  386    HA   ARG  48           HA       ARG  48   8.560   1.113  -4.495
  387   1HB   ARG  48          1HB       ARG  48   9.728   0.008  -2.024
  388   2HB   ARG  48          2HB       ARG  48   8.550  -1.046  -2.799
  389   1HG   ARG  48          1HG       ARG  48   9.816  -0.579  -4.989
  390   2HG   ARG  48          2HG       ARG  48  11.096   0.082  -3.969
  391   1HD   ARG  48          1HD       ARG  48  11.644  -2.221  -4.337
  392   2HD   ARG  48          2HD       ARG  48  11.050  -2.104  -2.683
  393    HE   ARG  48           HE       ARG  48   8.891  -2.712  -4.412
  394   1HH1  ARG  48          1HH1      ARG  48  11.784  -4.157  -3.072
  395   2HH1  ARG  48          2HH1      ARG  48  11.152  -5.764  -3.144
  396   1HH2  ARG  48          1HH2      ARG  48   8.104  -4.825  -4.488
  397   2HH2  ARG  48          2HH2      ARG  48   9.087  -6.142  -3.939
  398    H    GLN  49           H        GLN  49   6.966  -0.980  -3.955
  399    HA   GLN  49           HA       GLN  49   4.435   0.276  -3.400
  400   1HB   GLN  49          1HB       GLN  49   5.143  -2.587  -4.040
  401   2HB   GLN  49          2HB       GLN  49   3.508  -1.949  -3.924
  402   1HG   GLN  49          1HG       GLN  49   5.642  -1.033  -5.871
  403   2HG   GLN  49          2HG       GLN  49   4.220  -1.991  -6.259
  404   2HE2  GLN  49          2HE2      GLN  49   4.809   0.631  -7.409
  405   1HE2  GLN  49          1HE2      GLN  49   3.563   1.677  -6.923
  406    H    VAL  50           H        VAL  50   2.921  -0.482  -1.800
  407    HA   VAL  50           HA       VAL  50   3.992  -2.099   0.393
  408    HB   VAL  50           HB       VAL  50   2.972   0.724   0.796
  409   1HG1  VAL  50          1HG1      VAL  50   3.087  -1.567   2.573
  410   2HG1  VAL  50          2HG1      VAL  50   4.151  -0.286   3.157
  411   3HG1  VAL  50          3HG1      VAL  50   2.442   0.044   2.881
  412   1HG2  VAL  50          1HG2      VAL  50   5.703  -0.553   1.067
  413   2HG2  VAL  50          2HG2      VAL  50   5.242   0.770  -0.003
  414   3HG2  VAL  50          3HG2      VAL  50   5.302   1.027   1.740
  415    H    CYS  51           H        CYS  51   2.497  -3.574   0.767
  416    HA   CYS  51           HA       CYS  51  -0.274  -3.189   0.027
  417   1HB   CYS  51          1HB       CYS  51   1.050  -5.451   1.549
  418   2HB   CYS  51          2HB       CYS  51  -0.583  -5.472   0.888
  419    H    ALA  52           H        ALA  52  -1.898  -2.521   1.333
  420    HA   ALA  52           HA       ALA  52  -1.635  -2.789   4.226
  421   1HB   ALA  52          1HB       ALA  52  -0.724  -0.452   3.133
  422   2HB   ALA  52          2HB       ALA  52  -2.404  -0.048   3.482
  423   3HB   ALA  52          3HB       ALA  52  -1.347  -0.616   4.774
  424    H    ASP  53           H        ASP  53  -3.531  -3.206   5.132
  425    HA   ASP  53           HA       ASP  53  -5.929  -3.169   3.485
  426   1HB   ASP  53          1HB       ASP  53  -5.276  -4.211   6.236
  427   2HB   ASP  53          2HB       ASP  53  -6.945  -4.101   5.675
  428    H    LYS  54           H        LYS  54  -7.560  -1.738   3.625
  429    HA   LYS  54           HA       LYS  54  -7.218   0.773   4.810
  430   1HB   LYS  54          1HB       LYS  54  -8.823   0.216   2.953
  431   2HB   LYS  54          2HB       LYS  54  -9.883  -0.502   4.167
  432   1HG   LYS  54          1HG       LYS  54  -9.857   1.688   5.396
  433   2HG   LYS  54          2HG       LYS  54  -8.956   2.380   4.047
  434   1HD   LYS  54          1HD       LYS  54 -10.861   1.536   2.548
  435   2HD   LYS  54          2HD       LYS  54 -11.772   1.286   4.037
  436   1HE   LYS  54          1HE       LYS  54 -11.647   3.615   4.604
  437   2HE   LYS  54          2HE       LYS  54 -10.473   3.926   3.325
  438   1HZ   LYS  54          1HZ       LYS  54 -12.280   3.085   1.767
  439   2HZ   LYS  54          2HZ       LYS  54 -13.348   3.298   3.068
  440   3HZ   LYS  54          3HZ       LYS  54 -12.493   4.628   2.447
  441    H    SER  55           H        SER  55  -8.351  -2.204   6.189
  442    HA   SER  55           HA       SER  55  -9.961  -1.292   8.284
  443   1HB   SER  55          1HB       SER  55  -8.797  -3.390   9.463
  444   2HB   SER  55          2HB       SER  55 -10.005  -3.578   8.196
  445    HG   SER  55           HG       SER  55  -7.415  -4.284   8.199
  446    H    LYS  56           H        LYS  56  -6.492  -1.198   7.875
  447    HA   LYS  56           HA       LYS  56  -5.701  -0.837  10.554
  448   1HB   LYS  56          1HB       LYS  56  -4.439   0.364   8.077
  449   2HB   LYS  56          2HB       LYS  56  -3.662   0.149   9.647
  450   1HG   LYS  56          1HG       LYS  56  -4.892  -2.267   8.410
  451   2HG   LYS  56          2HG       LYS  56  -3.409  -1.657   7.674
  452   1HD   LYS  56          1HD       LYS  56  -2.127  -2.148   9.514
  453   2HD   LYS  56          2HD       LYS  56  -3.448  -1.845  10.644
  454   1HE   LYS  56          1HE       LYS  56  -4.470  -3.996   9.422
  455   2HE   LYS  56          2HE       LYS  56  -2.760  -4.337   9.155
  456   1HZ   LYS  56          1HZ       LYS  56  -2.475  -3.875  11.605
  457   2HZ   LYS  56          2HZ       LYS  56  -4.164  -3.953  11.732
  458   3HZ   LYS  56          3HZ       LYS  56  -3.291  -5.310  11.203
  459    H    ASP  57           H        ASP  57  -4.436   1.476  10.915
  460    HA   ASP  57           HA       ASP  57  -6.624   3.460  10.865
  461   1HB   ASP  57          1HB       ASP  57  -5.361   4.545  12.742
  462   2HB   ASP  57          2HB       ASP  57  -5.955   2.928  13.121
  463    H    TRP  58           H        TRP  58  -3.113   3.106  10.430
  464    HA   TRP  58           HA       TRP  58  -2.777   5.807   9.525
  465   1HB   TRP  58          1HB       TRP  58  -0.506   5.110   8.882
  466   2HB   TRP  58          2HB       TRP  58  -0.893   4.630  10.529
  467    HD1  TRP  58           HD1      TRP  58  -1.310   2.031  10.996
  468    HE1  TRP  58           HE1      TRP  58  -0.543  -0.068   9.714
  469    HE3  TRP  58           HE3      TRP  58  -0.055   4.138   6.525
  470    HZ2  TRP  58           HZ2      TRP  58   0.473  -0.765   7.117
  471    HZ3  TRP  58           HZ3      TRP  58   0.810   2.745   4.671
  472    HH2  TRP  58           HH2      TRP  58   1.074   0.301   4.962
  473    H    VAL  59           H        VAL  59  -3.573   2.775   8.013
  474    HA   VAL  59           HA       VAL  59  -2.966   3.608   5.331
  475    HB   VAL  59           HB       VAL  59  -4.792   1.389   6.284
  476   1HG1  VAL  59          1HG1      VAL  59  -3.427   1.941   3.630
  477   2HG1  VAL  59          2HG1      VAL  59  -4.263   0.441   4.028
  478   3HG1  VAL  59          3HG1      VAL  59  -5.164   1.955   3.937
  479   1HG2  VAL  59          1HG2      VAL  59  -2.465   1.229   7.153
  480   2HG2  VAL  59          2HG2      VAL  59  -2.826  -0.050   5.992
  481   3HG2  VAL  59          3HG2      VAL  59  -1.860   1.341   5.499
  482    H    LYS  60           H        LYS  60  -5.740   3.759   7.468
  483    HA   LYS  60           HA       LYS  60  -7.689   4.415   5.501
  484   1HB   LYS  60          1HB       LYS  60  -8.077   3.668   7.932
  485   2HB   LYS  60          2HB       LYS  60  -7.774   5.352   8.365
  486   1HG   LYS  60          1HG       LYS  60  -9.577   6.077   6.853
  487   2HG   LYS  60          2HG       LYS  60  -9.876   4.399   6.396
  488   1HD   LYS  60          1HD       LYS  60 -10.580   3.829   8.620
  489   2HD   LYS  60          2HD       LYS  60 -10.026   5.378   9.256
  490   1HE   LYS  60          1HE       LYS  60 -11.714   6.555   7.921
  491   2HE   LYS  60          2HE       LYS  60 -12.248   5.027   7.221
  492   1HZ   LYS  60          1HZ       LYS  60 -12.679   4.292   9.570
  493   2HZ   LYS  60          2HZ       LYS  60 -12.457   5.907  10.041
  494   3HZ   LYS  60          3HZ       LYS  60 -13.716   5.500   8.977
  495    H    LYS  61           H        LYS  61  -5.561   6.346   7.570
  496    HA   LYS  61           HA       LYS  61  -6.573   8.890   6.889
  497   1HB   LYS  61          1HB       LYS  61  -3.884   7.949   7.872
  498   2HB   LYS  61          2HB       LYS  61  -4.191   9.648   7.510
  499   1HG   LYS  61          1HG       LYS  61  -6.214   8.255   9.192
  500   2HG   LYS  61          2HG       LYS  61  -4.653   8.588   9.942
  501   1HD   LYS  61          1HD       LYS  61  -4.868  10.974   9.216
  502   2HD   LYS  61          2HD       LYS  61  -6.489  10.608   8.623
  503   1HE   LYS  61          1HE       LYS  61  -7.316  10.184  10.790
  504   2HE   LYS  61          2HE       LYS  61  -5.699   9.977  11.464
  505   1HZ   LYS  61          1HZ       LYS  61  -5.277  12.323  11.078
  506   2HZ   LYS  61          2HZ       LYS  61  -6.837  12.521  10.436
  507   3HZ   LYS  61          3HZ       LYS  61  -6.639  12.116  12.071
  508    H    LEU  62           H        LEU  62  -4.002   6.916   5.442
  509    HA   LEU  62           HA       LEU  62  -3.105   8.790   3.538
  510   1HB   LEU  62          1HB       LEU  62  -3.205   5.784   3.371
  511   2HB   LEU  62          2HB       LEU  62  -2.344   6.814   2.249
  512    HG   LEU  62           HG       LEU  62  -1.674   7.088   5.139
  513   1HD1  LEU  62          1HD1      LEU  62  -1.380   4.608   3.536
  514   2HD1  LEU  62          2HD1      LEU  62   0.064   5.138   4.397
  515   3HD1  LEU  62          3HD1      LEU  62  -1.425   4.823   5.284
  516   1HD2  LEU  62          1HD2      LEU  62  -0.432   7.467   2.458
  517   2HD2  LEU  62          2HD2      LEU  62  -0.291   8.454   3.912
  518   3HD2  LEU  62          3HD2      LEU  62   0.648   6.969   3.762
  519    H    MET  63           H        MET  63  -5.641   6.339   3.408
  520    HA   MET  63           HA       MET  63  -6.378   6.521   0.729
  521   1HB   MET  63          1HB       MET  63  -8.024   5.985   3.197
  522   2HB   MET  63          2HB       MET  63  -8.706   5.915   1.573
  523   1HG   MET  63          1HG       MET  63  -6.495   4.407   1.192
  524   2HG   MET  63          2HG       MET  63  -6.776   4.082   2.901
  525   1HE   MET  63          1HE       MET  63  -7.253   3.541  -0.438
  526   2HE   MET  63          2HE       MET  63  -7.390   1.842   0.006
  527   3HE   MET  63          3HE       MET  63  -8.747   2.654  -0.771
  528    H    GLN  64           H        GLN  64  -7.312   8.551   3.458
  529    HA   GLN  64           HA       GLN  64  -9.072  10.188   1.820
  530   1HB   GLN  64          1HB       GLN  64  -9.513   9.708   4.254
  531   2HB   GLN  64          2HB       GLN  64  -8.124  10.724   4.641
  532   1HG   GLN  64          1HG       GLN  64  -9.154  12.663   3.716
  533   2HG   GLN  64          2HG       GLN  64 -10.402  11.708   2.914
  534   2HE2  GLN  64          2HE2      GLN  64 -11.409  10.076   4.857
  535   1HE2  GLN  64          1HE2      GLN  64 -11.999  10.974   6.171
  536    H    GLN  65           H        GLN  65  -5.812  10.292   3.099
  537    HA   GLN  65           HA       GLN  65  -5.346  13.065   2.564
  538   1HB   GLN  65          1HB       GLN  65  -3.651  10.712   3.284
  539   2HB   GLN  65          2HB       GLN  65  -2.868  12.154   2.639
  540   1HG   GLN  65          1HG       GLN  65  -4.904  12.694   4.712
  541   2HG   GLN  65          2HG       GLN  65  -3.501  11.794   5.281
  542   2HE2  GLN  65          2HE2      GLN  65  -4.187  14.657   3.185
  543   1HE2  GLN  65          1HE2      GLN  65  -2.879  15.570   3.764
  544    H    LEU  66           H        LEU  66  -4.908  10.073   0.772
  545    HA   LEU  66           HA       LEU  66  -3.915  11.626  -1.543
  546   1HB   LEU  66          1HB       LEU  66  -3.770   8.648  -1.388
  547   2HB   LEU  66          2HB       LEU  66  -2.761   9.759  -2.286
  548    HG   LEU  66           HG       LEU  66  -2.693   9.477   0.726
  549   1HD1  LEU  66          1HD1      LEU  66  -0.991   8.217  -1.442
  550   2HD1  LEU  66          2HD1      LEU  66  -0.522   8.274   0.257
  551   3HD1  LEU  66          3HD1      LEU  66  -1.964   7.382  -0.232
  552   1HD2  LEU  66          1HD2      LEU  66  -1.315  11.156  -1.303
  553   2HD2  LEU  66          2HD2      LEU  66  -1.662  11.496   0.392
  554   3HD2  LEU  66          3HD2      LEU  66  -0.291  10.475  -0.040
  555    HA   PRO  67           HA       PRO  67  -7.759  10.573  -3.461
  556   1HB   PRO  67          1HB       PRO  67  -7.100  10.991  -6.088
  557   2HB   PRO  67          2HB       PRO  67  -7.400  12.293  -4.926
  558   1HG   PRO  67          1HG       PRO  67  -4.832  11.332  -6.053
  559   2HG   PRO  67          2HG       PRO  67  -5.271  12.939  -5.456
  560   1HD   PRO  67          1HD       PRO  67  -3.747  11.008  -4.062
  561   2HD   PRO  67          2HD       PRO  67  -4.470  12.477  -3.363
  562    H    VAL  68           H        VAL  68  -5.647   9.501  -6.106
  563    HA   VAL  68           HA       VAL  68  -5.397   6.812  -5.520
  564    HB   VAL  68           HB       VAL  68  -8.105   7.333  -5.878
  565   1HG1  VAL  68          1HG1      VAL  68  -7.643   7.624  -8.366
  566   2HG1  VAL  68          2HG1      VAL  68  -7.230   5.909  -8.394
  567   3HG1  VAL  68          3HG1      VAL  68  -8.858   6.418  -7.942
  568   1HG2  VAL  68          1HG2      VAL  68  -6.611   5.290  -5.035
  569   2HG2  VAL  68          2HG2      VAL  68  -8.322   5.099  -5.420
  570   3HG2  VAL  68          3HG2      VAL  68  -7.095   4.627  -6.596
  571    H    THR  69           H        THR  69  -4.179   5.802  -7.054
  572    HA   THR  69           HA       THR  69  -3.378   7.460  -9.332
  573    HB   THR  69           HB       THR  69  -1.558   6.600  -7.982
  574    HG1  THR  69           HG1      THR  69  -1.245   6.633 -10.236
  575   1HG2  THR  69          1HG2      THR  69  -3.135   4.092  -8.220
  576   2HG2  THR  69          2HG2      THR  69  -1.378   3.924  -8.234
  577   3HG2  THR  69          3HG2      THR  69  -2.180   4.698  -6.867
  578    H    ALA  70           H        ALA  70  -3.439   6.759 -11.455
  579    HA   ALA  70           HA       ALA  70  -4.174   4.176 -12.317
  580   1HB   ALA  70          1HB       ALA  70  -6.454   4.306 -12.778
  581   2HB   ALA  70          2HB       ALA  70  -6.353   5.104 -11.208
  582   3HB   ALA  70          3HB       ALA  70  -6.475   6.067 -12.681
  583    H    ARG  71           H        ARG  71  -4.753   4.151 -14.658
  584    HA   ARG  71           HA       ARG  71  -4.569   6.441 -16.298
  585   1HB   ARG  71          1HB       ARG  71  -2.145   6.092 -15.261
  586   2HB   ARG  71          2HB       ARG  71  -2.029   4.893 -16.550
  587   1HG   ARG  71          1HG       ARG  71  -2.101   6.472 -18.214
  588   2HG   ARG  71          2HG       ARG  71  -3.161   7.542 -17.296
  589   1HD   ARG  71          1HD       ARG  71  -1.153   7.950 -15.756
  590   2HD   ARG  71          2HD       ARG  71  -0.177   7.177 -17.000
  591    HE   ARG  71           HE       ARG  71  -0.383   9.100 -18.280
  592   1HH1  ARG  71          1HH1      ARG  71  -2.813   9.110 -15.761
  593   2HH1  ARG  71          2HH1      ARG  71  -3.329  10.724 -16.108
  594   1HH2  ARG  71          1HH2      ARG  71  -1.085  11.201 -18.699
  595   2HH2  ARG  71          2HH2      ARG  71  -2.360  11.900 -17.757

  No H/Q in entry =         595
  Start of MODEL   24
    1    H1   LEU   1           H1       LEU   1  20.763 -19.880  -1.427
    2    H2   LEU   1           H2       LEU   1  20.891 -20.809  -2.844
    3    H3   LEU   1           H3       LEU   1  22.111 -19.698  -2.440
    4    HA   LEU   1           HA       LEU   1  20.923 -18.587  -4.074
    5   1HB   LEU   1          1HB       LEU   1  19.049 -20.298  -3.998
    6   2HB   LEU   1          2HB       LEU   1  18.360 -19.371  -2.664
    7    HG   LEU   1           HG       LEU   1  18.506 -17.333  -4.222
    8   1HD1  LEU   1          1HD1      LEU   1  19.145 -19.602  -6.094
    9   2HD1  LEU   1          2HD1      LEU   1  18.298 -18.173  -6.689
   10   3HD1  LEU   1          3HD1      LEU   1  19.905 -18.015  -5.978
   11   1HD2  LEU   1          1HD2      LEU   1  16.466 -18.913  -3.661
   12   2HD2  LEU   1          2HD2      LEU   1  16.324 -17.723  -4.955
   13   3HD2  LEU   1          3HD2      LEU   1  16.649 -19.412  -5.343
   14    H    GLY   2           H        GLY   2  20.405 -16.407  -3.938
   15   1HA   GLY   2          1HA       GLY   2  20.756 -14.387  -2.778
   16   2HA   GLY   2          2HA       GLY   2  20.604 -15.259  -1.255
   17    H    ALA   3           H        ALA   3  18.239 -16.457  -1.326
   18    HA   ALA   3           HA       ALA   3  16.077 -14.990  -2.421
   19   1HB   ALA   3          1HB       ALA   3  16.149 -17.395  -1.378
   20   2HB   ALA   3          2HB       ALA   3  14.681 -16.426  -1.239
   21   3HB   ALA   3          3HB       ALA   3  15.792 -16.547   0.126
   22    H    SER   4           H        SER   4  15.221 -13.114  -1.837
   23    HA   SER   4           HA       SER   4  14.958 -12.269   0.879
   24   1HB   SER   4          1HB       SER   4  17.284 -11.698   0.769
   25   2HB   SER   4          2HB       SER   4  17.089 -10.955  -0.816
   26    HG   SER   4           HG       SER   4  16.495  -9.195   0.150
   27    H    TRP   5           H        TRP   5  12.839 -11.869   0.381
   28    HA   TRP   5           HA       TRP   5  11.022 -10.687  -0.361
   29   1HB   TRP   5          1HB       TRP   5  12.154  -8.738   0.535
   30   2HB   TRP   5          2HB       TRP   5  13.162  -8.612  -0.900
   31    HD1  TRP   5           HD1      TRP   5  12.387  -6.384  -1.882
   32    HE1  TRP   5           HE1      TRP   5  10.150  -5.452  -2.753
   33    HE3  TRP   5           HE3      TRP   5   9.202 -10.091  -0.348
   34    HZ2  TRP   5           HZ2      TRP   5   7.389  -6.170  -2.798
   35    HZ3  TRP   5           HZ3      TRP   5   6.782  -9.933  -0.822
   36    HH2  TRP   5           HH2      TRP   5   5.870  -7.980  -2.044
   37    H    HIS   6           H        HIS   6  10.122 -11.644  -2.065
   38    HA   HIS   6           HA       HIS   6  10.418 -10.651  -4.678
   39   1HB   HIS   6          1HB       HIS   6  12.595 -12.089  -4.268
   40   2HB   HIS   6          2HB       HIS   6  11.505 -13.438  -4.592
   41    HD1  HIS   6           HD1      HIS   6  11.565 -14.064  -6.995
   42    HD2  HIS   6           HD2      HIS   6  12.028  -9.953  -6.488
   43    HE1  HIS   6           HE1      HIS   6  11.774 -13.076  -9.317
   44    H    ARG   7           H        ARG   7   8.304 -10.774  -5.084
   45    HA   ARG   7           HA       ARG   7   7.062 -13.281  -5.613
   46   1HB   ARG   7          1HB       ARG   7   7.017 -12.865  -2.970
   47   2HB   ARG   7          2HB       ARG   7   5.606 -11.903  -3.412
   48   1HG   ARG   7          1HG       ARG   7   4.837 -13.937  -4.772
   49   2HG   ARG   7          2HG       ARG   7   6.083 -14.845  -3.914
   50   1HD   ARG   7          1HD       ARG   7   5.071 -14.419  -1.795
   51   2HD   ARG   7          2HD       ARG   7   4.002 -13.196  -2.474
   52    HE   ARG   7           HE       ARG   7   3.506 -15.662  -3.762
   53   1HH1  ARG   7          1HH1      ARG   7   3.106 -14.120  -0.645
   54   2HH1  ARG   7          2HH1      ARG   7   1.722 -15.068  -0.227
   55   1HH2  ARG   7          1HH2      ARG   7   1.698 -16.875  -3.178
   56   2HH2  ARG   7          2HH2      ARG   7   0.929 -16.615  -1.648
   57    HA   PRO   8           HA       PRO   8   5.106  -9.667  -7.654
   58   1HB   PRO   8          1HB       PRO   8   5.170 -10.698 -10.183
   59   2HB   PRO   8          2HB       PRO   8   6.516  -9.816  -9.448
   60   1HG   PRO   8          1HG       PRO   8   6.242 -12.711  -9.983
   61   2HG   PRO   8          2HG       PRO   8   7.704 -11.728  -9.822
   62   1HD   PRO   8          1HD       PRO   8   6.589 -13.452  -7.849
   63   2HD   PRO   8          2HD       PRO   8   7.925 -12.298  -7.624
   64    H    ASP   9           H        ASP   9   2.991  -9.772  -7.056
   65    HA   ASP   9           HA       ASP   9   1.176 -11.375  -8.642
   66   1HB   ASP   9          1HB       ASP   9   1.978 -12.834  -6.658
   67   2HB   ASP   9          2HB       ASP   9   0.998 -11.758  -5.662
   68    H    LYS  10           H        LYS  10  -0.876 -10.533  -8.680
   69    HA   LYS  10           HA       LYS  10  -1.216  -7.827  -7.955
   70   1HB   LYS  10          1HB       LYS  10  -2.995  -9.978  -9.005
   71   2HB   LYS  10          2HB       LYS  10  -3.755  -8.543  -8.312
   72   1HG   LYS  10          1HG       LYS  10  -1.876  -7.343  -9.826
   73   2HG   LYS  10          2HG       LYS  10  -2.109  -8.812 -10.776
   74   1HD   LYS  10          1HD       LYS  10  -4.688  -8.202 -10.304
   75   2HD   LYS  10          2HD       LYS  10  -4.002  -6.577 -10.248
   76   1HE   LYS  10          1HE       LYS  10  -2.780  -7.305 -12.450
   77   2HE   LYS  10          2HE       LYS  10  -4.045  -8.532 -12.532
   78   1HZ   LYS  10          1HZ       LYS  10  -4.740  -5.710 -12.045
   79   2HZ   LYS  10          2HZ       LYS  10  -4.441  -6.251 -13.625
   80   3HZ   LYS  10          3HZ       LYS  10  -5.692  -6.949 -12.713
   81    H    CYS  11           H        CYS  11  -2.504 -10.810  -6.534
   82    HA   CYS  11           HA       CYS  11  -4.006  -9.636  -4.464
   83   1HB   CYS  11          1HB       CYS  11  -2.552 -12.292  -4.352
   84   2HB   CYS  11          2HB       CYS  11  -3.941 -11.808  -3.383
   85    H    CYS  12           H        CYS  12  -3.256 -10.474  -2.065
   86    HA   CYS  12           HA       CYS  12  -0.555 -10.177  -1.330
   87   1HB   CYS  12          1HB       CYS  12  -1.284  -7.786  -2.190
   88   2HB   CYS  12          2HB       CYS  12  -2.019  -7.676  -0.590
   89    H    LEU  13           H        LEU  13  -1.167 -11.864   0.038
   90    HA   LEU  13           HA       LEU  13  -3.320 -11.676   1.901
   91   1HB   LEU  13          1HB       LEU  13  -0.861 -13.423   1.964
   92   2HB   LEU  13          2HB       LEU  13  -2.268 -13.623   2.984
   93    HG   LEU  13           HG       LEU  13  -2.582 -13.687   0.000
   94   1HD1  LEU  13          1HD1      LEU  13  -1.523 -15.885   1.792
   95   2HD1  LEU  13          2HD1      LEU  13  -2.283 -16.211   0.235
   96   3HD1  LEU  13          3HD1      LEU  13  -0.801 -15.257   0.310
   97   1HD2  LEU  13          1HD2      LEU  13  -4.491 -13.682   1.727
   98   2HD2  LEU  13          2HD2      LEU  13  -4.520 -14.969   0.522
   99   3HD2  LEU  13          3HD2      LEU  13  -3.952 -15.305   2.157
  100    H    GLY  14           H        GLY  14   0.129 -10.984   2.035
  101   1HA   GLY  14          1HA       GLY  14   1.439 -10.258   3.850
  102   2HA   GLY  14          2HA       GLY  14  -0.004 -10.255   4.862
  103    H    TYR  15           H        TYR  15   0.919  -8.135   5.535
  104    HA   TYR  15           HA       TYR  15   0.505  -5.978   3.578
  105   1HB   TYR  15          1HB       TYR  15  -0.861  -6.149   6.273
  106   2HB   TYR  15          2HB       TYR  15  -0.807  -4.696   5.274
  107    HD1  TYR  15           HD1      TYR  15  -1.955  -8.234   5.365
  108    HD2  TYR  15           HD2      TYR  15  -2.239  -4.433   3.387
  109    HE1  TYR  15           HE1      TYR  15  -3.885  -9.064   4.048
  110    HE2  TYR  15           HE2      TYR  15  -4.169  -5.263   2.069
  111    HH   TYR  15           HH       TYR  15  -4.985  -7.646   1.311
  112    H    GLN  16           H        GLN  16   0.978  -3.795   4.837
  113    HA   GLN  16           HA       GLN  16   3.717  -3.797   5.461
  114   1HB   GLN  16          1HB       GLN  16   2.408  -1.797   4.686
  115   2HB   GLN  16          2HB       GLN  16   1.699  -1.705   6.293
  116   1HG   GLN  16          1HG       GLN  16   3.600  -0.182   6.168
  117   2HG   GLN  16          2HG       GLN  16   3.989  -1.509   7.260
  118   2HE2  GLN  16          2HE2      GLN  16   5.491  -3.183   6.463
  119   1HE2  GLN  16          1HE2      GLN  16   6.516  -2.863   5.148
  120    H    LYS  17           H        LYS  17   0.901  -3.430   7.588
  121    HA   LYS  17           HA       LYS  17   0.598  -3.887   9.823
  122   1HB   LYS  17          1HB       LYS  17   1.883  -6.023   9.193
  123   2HB   LYS  17          2HB       LYS  17   3.297  -5.227   9.886
  124   1HG   LYS  17          1HG       LYS  17   2.441  -5.267  12.037
  125   2HG   LYS  17          2HG       LYS  17   0.766  -5.256  11.483
  126   1HD   LYS  17          1HD       LYS  17   0.943  -7.576  10.758
  127   2HD   LYS  17          2HD       LYS  17   2.660  -7.604  11.169
  128   1HE   LYS  17          1HE       LYS  17   0.438  -7.075  13.163
  129   2HE   LYS  17          2HE       LYS  17   1.212  -8.644  12.930
  130   1HZ   LYS  17          1HZ       LYS  17   3.370  -7.433  13.351
  131   2HZ   LYS  17          2HZ       LYS  17   2.430  -6.132  13.910
  132   3HZ   LYS  17          3HZ       LYS  17   2.348  -7.635  14.693
  133    H    ARG  18           H        ARG  18   2.546  -1.687   8.628
  134    HA   ARG  18           HA       ARG  18   3.258  -0.599  11.244
  135   1HB   ARG  18          1HB       ARG  18   5.191  -1.233   9.032
  136   2HB   ARG  18          2HB       ARG  18   5.475   0.167  10.067
  137   1HG   ARG  18          1HG       ARG  18   4.770  -2.362  11.455
  138   2HG   ARG  18          2HG       ARG  18   6.352  -2.316  10.682
  139   1HD   ARG  18          1HD       ARG  18   7.118  -0.595  12.035
  140   2HD   ARG  18          2HD       ARG  18   5.500   0.023  12.344
  141    HE   ARG  18           HE       ARG  18   5.744  -2.555  13.488
  142   1HH1  ARG  18          1HH1      ARG  18   6.901   0.720  13.921
  143   2HH1  ARG  18          2HH1      ARG  18   7.121   0.538  15.626
  144   1HH2  ARG  18          1HH2      ARG  18   6.044  -2.750  15.714
  145   2HH2  ARG  18          2HH2      ARG  18   6.640  -1.409  16.635
  146    HA   PRO  19           HA       PRO  19   1.768   2.953   9.030
  147   1HB   PRO  19          1HB       PRO  19   2.335   4.876  10.879
  148   2HB   PRO  19          2HB       PRO  19   1.003   3.721  11.029
  149   1HG   PRO  19          1HG       PRO  19   3.545   3.833  12.511
  150   2HG   PRO  19          2HG       PRO  19   2.021   3.048  12.947
  151   1HD   PRO  19          1HD       PRO  19   4.382   1.804  11.885
  152   2HD   PRO  19          2HD       PRO  19   2.817   1.036  12.247
  153    H    LEU  20           H        LEU  20   2.708   3.829   7.310
  154    HA   LEU  20           HA       LEU  20   5.493   4.769   7.477
  155   1HB   LEU  20          1HB       LEU  20   4.058   4.888   4.894
  156   2HB   LEU  20          2HB       LEU  20   5.698   4.393   5.245
  157    HG   LEU  20           HG       LEU  20   3.184   2.733   5.522
  158   1HD1  LEU  20          1HD1      LEU  20   4.533   3.203   3.277
  159   2HD1  LEU  20          2HD1      LEU  20   5.611   1.978   3.945
  160   3HD1  LEU  20          3HD1      LEU  20   3.916   1.593   3.645
  161   1HD2  LEU  20          1HD2      LEU  20   5.916   2.431   6.662
  162   2HD2  LEU  20          2HD2      LEU  20   4.373   1.828   7.266
  163   3HD2  LEU  20          3HD2      LEU  20   5.195   0.988   5.951
  164    HA   PRO  21           HA       PRO  21   4.106   8.972   7.326
  165   1HB   PRO  21          1HB       PRO  21   6.356  10.190   6.366
  166   2HB   PRO  21          2HB       PRO  21   6.212   9.549   8.012
  167   1HG   PRO  21          1HG       PRO  21   7.737   8.481   5.717
  168   2HG   PRO  21          2HG       PRO  21   7.997   8.244   7.451
  169   1HD   PRO  21          1HD       PRO  21   6.770   6.413   5.636
  170   2HD   PRO  21          2HD       PRO  21   6.869   6.261   7.406
  171    H    GLN  22           H        GLN  22   2.870  10.114   5.941
  172    HA   GLN  22           HA       GLN  22   2.821   9.507   3.137
  173   1HB   GLN  22          1HB       GLN  22   0.862  10.244   4.644
  174   2HB   GLN  22          2HB       GLN  22   1.473  11.880   4.403
  175   1HG   GLN  22          1HG       GLN  22   1.203  10.218   1.955
  176   2HG   GLN  22          2HG       GLN  22  -0.305  10.706   2.728
  177   2HE2  GLN  22          2HE2      GLN  22   1.655  11.686   0.310
  178   1HE2  GLN  22          1HE2      GLN  22   1.479  13.371   0.434
  179    H    VAL  23           H        VAL  23   4.801  11.533   4.975
  180    HA   VAL  23           HA       VAL  23   5.081  13.860   3.513
  181    HB   VAL  23           HB       VAL  23   6.168  13.423   5.682
  182   1HG1  VAL  23          1HG1      VAL  23   6.936  11.046   4.656
  183   2HG1  VAL  23          2HG1      VAL  23   8.418  11.966   4.398
  184   3HG1  VAL  23          3HG1      VAL  23   7.750  11.805   6.023
  185   1HG2  VAL  23          1HG2      VAL  23   7.036  15.115   3.916
  186   2HG2  VAL  23          2HG2      VAL  23   8.097  14.706   5.264
  187   3HG2  VAL  23          3HG2      VAL  23   8.356  13.968   3.683
  188    H    LEU  24           H        LEU  24   6.021  10.630   2.617
  189    HA   LEU  24           HA       LEU  24   7.289  11.754   0.197
  190   1HB   LEU  24          1HB       LEU  24   9.047  10.243   0.228
  191   2HB   LEU  24          2HB       LEU  24   8.917  10.781   1.883
  192    HG   LEU  24           HG       LEU  24   9.327   8.491   2.074
  193   1HD1  LEU  24          1HD1      LEU  24   7.259   9.239   3.321
  194   2HD1  LEU  24          2HD1      LEU  24   6.301   8.543   2.015
  195   3HD1  LEU  24          3HD1      LEU  24   7.339   7.509   2.995
  196   1HD2  LEU  24          1HD2      LEU  24   8.691   8.269  -0.504
  197   2HD2  LEU  24          2HD2      LEU  24   8.722   6.860   0.557
  198   3HD2  LEU  24          3HD2      LEU  24   7.188   7.639   0.169
  199    H    LEU  25           H        LEU  25   4.693  10.016   1.259
  200    HA   LEU  25           HA       LEU  25   4.668   7.884  -0.652
  201   1HB   LEU  25          1HB       LEU  25   3.245   8.368   1.567
  202   2HB   LEU  25          2HB       LEU  25   2.123   9.002   0.387
  203    HG   LEU  25           HG       LEU  25   1.940   6.846  -0.686
  204   1HD1  LEU  25          1HD1      LEU  25   4.361   6.272   0.961
  205   2HD1  LEU  25          2HD1      LEU  25   3.231   4.943   0.704
  206   3HD1  LEU  25          3HD1      LEU  25   3.969   5.753  -0.678
  207   1HD2  LEU  25          1HD2      LEU  25   1.714   6.958   2.308
  208   2HD2  LEU  25          2HD2      LEU  25   0.433   6.907   1.097
  209   3HD2  LEU  25          3HD2      LEU  25   1.355   5.449   1.469
  210    H    SER  26           H        SER  26   2.752   7.770  -2.254
  211    HA   SER  26           HA       SER  26   2.478  10.377  -3.629
  212   1HB   SER  26          1HB       SER  26   4.063   8.432  -4.603
  213   2HB   SER  26          2HB       SER  26   2.527   7.923  -5.298
  214    HG   SER  26           HG       SER  26   3.761  10.474  -5.507
  215    H    SER  27           H        SER  27   1.232   7.054  -4.060
  216    HA   SER  27           HA       SER  27  -1.487   7.911  -3.495
  217   1HB   SER  27          1HB       SER  27  -2.048   6.830  -5.897
  218   2HB   SER  27          2HB       SER  27  -1.802   8.557  -5.664
  219    HG   SER  27           HG       SER  27  -0.331   6.774  -7.062
  220    H    TRP  28           H        TRP  28  -2.965   5.921  -4.400
  221    HA   TRP  28           HA       TRP  28  -1.625   3.376  -3.771
  222   1HB   TRP  28          1HB       TRP  28  -3.601   2.774  -2.305
  223   2HB   TRP  28          2HB       TRP  28  -2.513   3.984  -1.628
  224    HD1  TRP  28           HD1      TRP  28  -3.350   6.505  -1.551
  225    HE1  TRP  28           HE1      TRP  28  -5.706   7.543  -1.642
  226    HE3  TRP  28           HE3      TRP  28  -6.012   2.510  -3.316
  227    HZ2  TRP  28           HZ2      TRP  28  -8.364   6.779  -2.378
  228    HZ3  TRP  28           HZ3      TRP  28  -8.448   2.699  -3.702
  229    HH2  TRP  28           HH2      TRP  28  -9.628   4.826  -3.234
  230    H    TYR  29           H        TYR  29  -2.426   1.648  -4.882
  231    HA   TYR  29           HA       TYR  29  -4.804   2.162  -6.560
  232   1HB   TYR  29          1HB       TYR  29  -3.852   0.904  -8.350
  233   2HB   TYR  29          2HB       TYR  29  -2.614   2.034  -7.820
  234    HD1  TYR  29           HD1      TYR  29  -0.708   1.204  -6.363
  235    HD2  TYR  29           HD2      TYR  29  -3.545  -1.452  -8.199
  236    HE1  TYR  29           HE1      TYR  29   0.842  -0.698  -6.015
  237    HE2  TYR  29           HE2      TYR  29  -1.992  -3.352  -7.847
  238    HH   TYR  29           HH       TYR  29   0.430  -3.383  -5.770
  239    HA   PRO  30           HA       PRO  30  -6.399  -1.442  -4.514
  240   1HB   PRO  30          1HB       PRO  30  -8.622  -1.834  -6.051
  241   2HB   PRO  30          2HB       PRO  30  -8.474  -0.544  -4.849
  242   1HG   PRO  30          1HG       PRO  30  -8.416  -0.374  -7.799
  243   2HG   PRO  30          2HG       PRO  30  -8.848   0.860  -6.607
  244   1HD   PRO  30          1HD       PRO  30  -6.377   0.632  -8.012
  245   2HD   PRO  30          2HD       PRO  30  -6.748   1.745  -6.674
  246    H    THR  31           H        THR  31  -6.374  -3.666  -4.681
  247    HA   THR  31           HA       THR  31  -5.389  -4.768  -7.231
  248    HB   THR  31           HB       THR  31  -3.959  -5.213  -5.307
  249    HG1  THR  31           HG1      THR  31  -4.113  -6.867  -6.806
  250   1HG2  THR  31          1HG2      THR  31  -6.547  -6.149  -4.104
  251   2HG2  THR  31          2HG2      THR  31  -5.017  -6.824  -3.543
  252   3HG2  THR  31          3HG2      THR  31  -5.318  -5.092  -3.411
  253    H    SER  32           H        SER  32  -6.051  -7.303  -7.237
  254    HA   SER  32           HA       SER  32  -8.737  -7.394  -8.030
  255   1HB   SER  32          1HB       SER  32  -6.629  -9.425  -7.493
  256   2HB   SER  32          2HB       SER  32  -8.295  -9.990  -7.572
  257    HG   SER  32           HG       SER  32  -7.589 -10.012  -9.641
  258    H    GLN  33           H        GLN  33 -10.570  -8.363  -7.110
  259    HA   GLN  33           HA       GLN  33 -10.700  -8.099  -4.205
  260   1HB   GLN  33          1HB       GLN  33 -12.453  -7.157  -5.804
  261   2HB   GLN  33          2HB       GLN  33 -12.972  -8.825  -6.055
  262   1HG   GLN  33          1HG       GLN  33 -13.462  -9.096  -3.701
  263   2HG   GLN  33          2HG       GLN  33 -12.757  -7.523  -3.326
  264   2HE2  GLN  33          2HE2      GLN  33 -13.891  -5.586  -4.346
  265   1HE2  GLN  33          1HE2      GLN  33 -15.566  -5.685  -4.602
  266    H    LEU  34           H        LEU  34 -10.798 -10.570  -6.678
  267    HA   LEU  34           HA       LEU  34 -11.647 -12.632  -4.806
  268   1HB   LEU  34          1HB       LEU  34 -10.731 -12.854  -7.674
  269   2HB   LEU  34          2HB       LEU  34 -11.401 -14.156  -6.719
  270    HG   LEU  34           HG       LEU  34 -13.139 -13.395  -8.156
  271   1HD1  LEU  34          1HD1      LEU  34 -13.744 -13.750  -5.731
  272   2HD1  LEU  34          2HD1      LEU  34 -13.621 -12.005  -5.507
  273   3HD1  LEU  34          3HD1      LEU  34 -14.837 -12.670  -6.598
  274   1HD2  LEU  34          1HD2      LEU  34 -11.894 -11.117  -8.465
  275   2HD2  LEU  34          2HD2      LEU  34 -13.651 -11.151  -8.607
  276   3HD2  LEU  34          3HD2      LEU  34 -12.898 -10.579  -7.119
  277    H    CYS  35           H        CYS  35  -9.561 -11.716  -3.608
  278    HA   CYS  35           HA       CYS  35  -7.336 -13.546  -4.303
  279   1HB   CYS  35          1HB       CYS  35  -7.265 -10.715  -3.274
  280   2HB   CYS  35          2HB       CYS  35  -5.894 -11.806  -3.090
  281    H    SER  36           H        SER  36  -9.746 -13.660  -2.363
  282    HA   SER  36           HA       SER  36 -10.146 -14.627  -0.333
  283   1HB   SER  36          1HB       SER  36  -8.594 -16.060   0.601
  284   2HB   SER  36          2HB       SER  36  -7.985 -15.943  -1.043
  285    HG   SER  36           HG       SER  36  -6.949 -14.980   1.339
  286    H    LYS  37           H        LYS  37  -7.092 -12.813   0.071
  287    HA   LYS  37           HA       LYS  37  -8.471 -11.127   2.064
  288   1HB   LYS  37          1HB       LYS  37  -7.019 -12.821   3.196
  289   2HB   LYS  37          2HB       LYS  37  -5.634 -12.157   2.330
  290   1HG   LYS  37          1HG       LYS  37  -5.599 -10.230   3.582
  291   2HG   LYS  37          2HG       LYS  37  -7.349 -10.220   3.805
  292   1HD   LYS  37          1HD       LYS  37  -6.376 -10.722   5.947
  293   2HD   LYS  37          2HD       LYS  37  -7.063 -12.225   5.330
  294   1HE   LYS  37          1HE       LYS  37  -5.008 -13.190   4.995
  295   2HE   LYS  37          2HE       LYS  37  -4.237 -11.655   4.595
  296   1HZ   LYS  37          1HZ       LYS  37  -4.367 -11.042   6.944
  297   2HZ   LYS  37          2HZ       LYS  37  -5.035 -12.562   7.308
  298   3HZ   LYS  37          3HZ       LYS  37  -3.451 -12.454   6.712
  299    HA   PRO  38           HA       PRO  38  -6.136  -8.628  -1.089
  300   1HB   PRO  38          1HB       PRO  38  -8.266  -7.283  -2.141
  301   2HB   PRO  38          2HB       PRO  38  -7.697  -8.847  -2.741
  302   1HG   PRO  38          1HG       PRO  38 -10.113  -8.212  -1.161
  303   2HG   PRO  38          2HG       PRO  38  -9.798  -9.578  -2.241
  304   1HD   PRO  38          1HD       PRO  38  -9.700  -9.596   0.607
  305   2HD   PRO  38          2HD       PRO  38  -9.199 -10.905  -0.487
  306    H    GLY  39           H        GLY  39  -6.529  -6.113  -1.542
  307   1HA   GLY  39          1HA       GLY  39  -6.007  -4.729   0.843
  308   2HA   GLY  39          2HA       GLY  39  -7.703  -4.476   0.431
  309    H    VAL  40           H        VAL  40  -4.791  -3.082   0.186
  310    HA   VAL  40           HA       VAL  40  -4.950  -2.198  -2.586
  311    HB   VAL  40           HB       VAL  40  -5.206  -0.170  -0.351
  312   1HG1  VAL  40          1HG1      VAL  40  -4.119   0.195  -2.793
  313   2HG1  VAL  40          2HG1      VAL  40  -5.819   0.447  -3.187
  314   3HG1  VAL  40          3HG1      VAL  40  -5.040   1.441  -1.955
  315   1HG2  VAL  40          1HG2      VAL  40  -7.252  -1.305  -2.270
  316   2HG2  VAL  40          2HG2      VAL  40  -7.305  -1.343  -0.507
  317   3HG2  VAL  40          3HG2      VAL  40  -7.494   0.188  -1.363
  318    H    ILE  41           H        ILE  41  -3.024  -1.529  -3.358
  319    HA   ILE  41           HA       ILE  41  -0.760  -1.578  -1.478
  320    HB   ILE  41           HB       ILE  41  -0.937  -2.042  -4.461
  321   1HG1  ILE  41          1HG1      ILE  41   0.225  -4.208  -3.615
  322   2HG1  ILE  41          2HG1      ILE  41  -0.345  -3.704  -2.024
  323   1HG2  ILE  41          1HG2      ILE  41   1.539  -1.844  -2.712
  324   2HG2  ILE  41          2HG2      ILE  41   1.525  -2.461  -4.365
  325   3HG2  ILE  41          3HG2      ILE  41   1.118  -0.773  -4.050
  326   1HD1  ILE  41          1HD1      ILE  41  -2.260  -3.752  -4.340
  327   2HD1  ILE  41          2HD1      ILE  41  -1.868  -5.251  -3.497
  328   3HD1  ILE  41          3HD1      ILE  41  -2.597  -3.909  -2.615
  329    H    PHE  42           H        PHE  42   0.554   0.144  -1.228
  330    HA   PHE  42           HA       PHE  42  -0.322   2.679  -2.405
  331   1HB   PHE  42          1HB       PHE  42   1.405   1.902  -0.083
  332   2HB   PHE  42          2HB       PHE  42   1.596   3.501  -0.802
  333    HD1  PHE  42           HD1      PHE  42  -0.772   1.213   0.889
  334    HD2  PHE  42           HD2      PHE  42  -0.106   5.193  -0.583
  335    HE1  PHE  42           HE1      PHE  42  -2.788   2.000   2.100
  336    HE2  PHE  42           HE2      PHE  42  -2.121   5.979   0.629
  337    HZ   PHE  42           HZ       PHE  42  -3.461   4.383   1.972
  338    H    LEU  43           H        LEU  43   1.377   4.213  -3.120
  339    HA   LEU  43           HA       LEU  43   3.738   2.897  -4.296
  340   1HB   LEU  43          1HB       LEU  43   2.238   4.925  -5.897
  341   2HB   LEU  43          2HB       LEU  43   3.370   3.705  -6.439
  342    HG   LEU  43           HG       LEU  43   0.615   3.035  -5.392
  343   1HD1  LEU  43          1HD1      LEU  43   1.562   3.575  -8.221
  344   2HD1  LEU  43          2HD1      LEU  43   0.036   2.785  -7.827
  345   3HD1  LEU  43          3HD1      LEU  43   0.316   4.454  -7.333
  346   1HD2  LEU  43          1HD2      LEU  43   2.925   1.561  -6.540
  347   2HD2  LEU  43          2HD2      LEU  43   1.682   1.009  -5.418
  348   3HD2  LEU  43          3HD2      LEU  43   1.338   1.087  -7.144
  349    H    THR  44           H        THR  44   5.177   3.923  -2.945
  350    HA   THR  44           HA       THR  44   5.009   6.635  -2.163
  351    HB   THR  44           HB       THR  44   7.354   6.394  -1.494
  352    HG1  THR  44           HG1      THR  44   7.163   3.966  -2.944
  353   1HG2  THR  44          1HG2      THR  44   5.344   4.266  -0.920
  354   2HG2  THR  44          2HG2      THR  44   6.990   4.012  -0.338
  355   3HG2  THR  44          3HG2      THR  44   6.084   5.437   0.172
  356    H    LYS  45           H        LYS  45   6.644   8.313  -2.763
  357    HA   LYS  45           HA       LYS  45   6.460   8.965  -5.490
  358   1HB   LYS  45          1HB       LYS  45   8.126  10.000  -3.216
  359   2HB   LYS  45          2HB       LYS  45   8.415  10.579  -4.856
  360   1HG   LYS  45          1HG       LYS  45   6.440  11.725  -4.946
  361   2HG   LYS  45          2HG       LYS  45   5.573  10.506  -4.009
  362   1HD   LYS  45          1HD       LYS  45   6.080  11.490  -2.004
  363   2HD   LYS  45          2HD       LYS  45   7.667  12.030  -2.552
  364   1HE   LYS  45          1HE       LYS  45   6.840  13.981  -3.476
  365   2HE   LYS  45          2HE       LYS  45   5.258  13.276  -3.808
  366   1HZ   LYS  45          1HZ       LYS  45   6.291  13.925  -1.100
  367   2HZ   LYS  45          2HZ       LYS  45   5.212  14.895  -1.984
  368   3HZ   LYS  45          3HZ       LYS  45   4.738  13.349  -1.477
  369    H    ARG  46           H        ARG  46   9.338   7.953  -3.640
  370    HA   ARG  46           HA       ARG  46  10.439   6.820  -6.139
  371   1HB   ARG  46          1HB       ARG  46  11.469   9.042  -5.242
  372   2HB   ARG  46          2HB       ARG  46  12.212   7.993  -4.034
  373   1HG   ARG  46          1HG       ARG  46  13.002   6.541  -5.983
  374   2HG   ARG  46          2HG       ARG  46  12.521   7.869  -7.038
  375   1HD   ARG  46          1HD       ARG  46  14.250   8.492  -4.680
  376   2HD   ARG  46          2HD       ARG  46  14.993   7.712  -6.072
  377    HE   ARG  46           HE       ARG  46  13.424   9.938  -6.906
  378   1HH1  ARG  46          1HH1      ARG  46  16.444   9.127  -5.334
  379   2HH1  ARG  46          2HH1      ARG  46  17.229  10.583  -5.840
  380   1HH2  ARG  46          1HH2      ARG  46  14.486  11.822  -7.546
  381   2HH2  ARG  46          2HH2      ARG  46  16.132  12.096  -7.082
  382    H    GLY  47           H        GLY  47   9.350   6.058  -3.100
  383   1HA   GLY  47          1HA       GLY  47   9.814   4.398  -1.567
  384   2HA   GLY  47          2HA       GLY  47  11.429   4.271  -2.255
  385    H    ARG  48           H        ARG  48   8.449   2.785  -1.926
  386    HA   ARG  48           HA       ARG  48   8.580   1.210  -4.376
  387   1HB   ARG  48          1HB       ARG  48   9.633   0.254  -1.791
  388   2HB   ARG  48          2HB       ARG  48   8.501  -0.852  -2.568
  389   1HG   ARG  48          1HG       ARG  48   9.871  -1.182  -4.407
  390   2HG   ARG  48          2HG       ARG  48  10.640   0.397  -4.249
  391   1HD   ARG  48          1HD       ARG  48  12.189  -1.428  -3.627
  392   2HD   ARG  48          2HD       ARG  48  11.855  -0.368  -2.262
  393    HE   ARG  48           HE       ARG  48  10.091  -2.650  -2.381
  394   1HH1  ARG  48          1HH1      ARG  48  13.222  -1.502  -1.316
  395   2HH1  ARG  48          2HH1      ARG  48  13.364  -2.700  -0.076
  396   1HH2  ARG  48          1HH2      ARG  48  10.318  -4.194  -0.753
  397   2HH2  ARG  48          2HH2      ARG  48  11.735  -4.212   0.242
  398    H    GLN  49           H        GLN  49   6.982  -0.853  -3.821
  399    HA   GLN  49           HA       GLN  49   4.425   0.438  -3.262
  400   1HB   GLN  49          1HB       GLN  49   5.290  -2.121  -4.542
  401   2HB   GLN  49          2HB       GLN  49   3.670  -2.033  -3.853
  402   1HG   GLN  49          1HG       GLN  49   2.933  -0.540  -5.422
  403   2HG   GLN  49          2HG       GLN  49   4.492   0.281  -5.520
  404   2HE2  GLN  49          2HE2      GLN  49   2.450  -1.955  -7.117
  405   1HE2  GLN  49          1HE2      GLN  49   3.583  -2.539  -8.239
  406    H    VAL  50           H        VAL  50   2.862  -0.554  -1.808
  407    HA   VAL  50           HA       VAL  50   3.861  -2.444   0.172
  408    HB   VAL  50           HB       VAL  50   3.034   0.355   0.986
  409   1HG1  VAL  50          1HG1      VAL  50   2.356  -1.517   2.540
  410   2HG1  VAL  50          2HG1      VAL  50   4.064  -1.927   2.697
  411   3HG1  VAL  50          3HG1      VAL  50   3.477  -0.359   3.253
  412   1HG2  VAL  50          1HG2      VAL  50   5.699  -1.079   0.967
  413   2HG2  VAL  50          2HG2      VAL  50   5.280   0.416   0.130
  414   3HG2  VAL  50          3HG2      VAL  50   5.403   0.394   1.890
  415    H    CYS  51           H        CYS  51   2.264  -3.740   0.788
  416    HA   CYS  51           HA       CYS  51  -0.454  -3.249  -0.066
  417   1HB   CYS  51          1HB       CYS  51   0.743  -5.447   1.645
  418   2HB   CYS  51          2HB       CYS  51  -0.924  -5.415   1.072
  419    H    ALA  52           H        ALA  52  -2.053  -2.339   1.118
  420    HA   ALA  52           HA       ALA  52  -1.597  -2.050   4.030
  421   1HB   ALA  52          1HB       ALA  52  -1.325   0.057   2.416
  422   2HB   ALA  52          2HB       ALA  52  -2.048   0.196   4.018
  423   3HB   ALA  52          3HB       ALA  52  -3.080   0.092   2.592
  424    H    ASP  53           H        ASP  53  -3.271  -2.467   5.317
  425    HA   ASP  53           HA       ASP  53  -5.782  -3.340   4.053
  426   1HB   ASP  53          1HB       ASP  53  -4.346  -4.016   6.569
  427   2HB   ASP  53          2HB       ASP  53  -6.107  -4.018   6.640
  428    H    LYS  54           H        LYS  54  -7.409  -1.944   4.010
  429    HA   LYS  54           HA       LYS  54  -7.423   0.580   5.188
  430   1HB   LYS  54          1HB       LYS  54  -8.919  -0.215   3.316
  431   2HB   LYS  54          2HB       LYS  54  -9.909  -1.015   4.539
  432   1HG   LYS  54          1HG       LYS  54 -10.920   1.121   4.185
  433   2HG   LYS  54          2HG       LYS  54 -10.048   1.250   5.712
  434   1HD   LYS  54          1HD       LYS  54  -8.467   2.674   4.851
  435   2HD   LYS  54          2HD       LYS  54  -8.526   1.936   3.249
  436   1HE   LYS  54          1HE       LYS  54 -10.857   3.525   4.318
  437   2HE   LYS  54          2HE       LYS  54  -9.506   4.318   3.505
  438   1HZ   LYS  54          1HZ       LYS  54 -10.888   2.012   2.284
  439   2HZ   LYS  54          2HZ       LYS  54 -11.487   3.588   2.098
  440   3HZ   LYS  54          3HZ       LYS  54  -9.932   3.199   1.531
  441    H    SER  55           H        SER  55  -8.259  -2.500   6.574
  442    HA   SER  55           HA       SER  55  -9.955  -1.699   8.661
  443   1HB   SER  55          1HB       SER  55  -8.640  -3.718   9.841
  444   2HB   SER  55          2HB       SER  55  -9.856  -3.983   8.595
  445    HG   SER  55           HG       SER  55  -7.202  -4.482   8.553
  446    H    LYS  56           H        LYS  56  -6.490  -1.437   8.260
  447    HA   LYS  56           HA       LYS  56  -5.754  -0.963  10.944
  448   1HB   LYS  56          1HB       LYS  56  -4.554  -0.394   8.275
  449   2HB   LYS  56          2HB       LYS  56  -3.916   0.490   9.660
  450   1HG   LYS  56          1HG       LYS  56  -2.587  -1.434   9.665
  451   2HG   LYS  56          2HG       LYS  56  -3.863  -1.869  10.803
  452   1HD   LYS  56          1HD       LYS  56  -5.098  -2.979   8.947
  453   2HD   LYS  56          2HD       LYS  56  -3.754  -2.614   7.866
  454   1HE   LYS  56          1HE       LYS  56  -2.361  -4.169   8.844
  455   2HE   LYS  56          2HE       LYS  56  -3.114  -4.000  10.430
  456   1HZ   LYS  56          1HZ       LYS  56  -5.145  -5.033   9.230
  457   2HZ   LYS  56          2HZ       LYS  56  -3.992  -5.591   8.119
  458   3HZ   LYS  56          3HZ       LYS  56  -3.880  -6.038   9.754
  459    H    ASP  57           H        ASP  57  -4.609   1.388  11.293
  460    HA   ASP  57           HA       ASP  57  -6.840   3.309  11.040
  461   1HB   ASP  57          1HB       ASP  57  -4.591   3.189  13.064
  462   2HB   ASP  57          2HB       ASP  57  -5.817   4.454  12.991
  463    H    TRP  58           H        TRP  58  -3.321   2.965  10.774
  464    HA   TRP  58           HA       TRP  58  -2.945   5.676   9.904
  465   1HB   TRP  58          1HB       TRP  58  -0.647   4.997   9.383
  466   2HB   TRP  58          2HB       TRP  58  -1.116   4.474  10.996
  467    HD1  TRP  58           HD1      TRP  58  -1.337   1.896  11.449
  468    HE1  TRP  58           HE1      TRP  58  -0.562  -0.177  10.130
  469    HE3  TRP  58           HE3      TRP  58  -0.364   4.041   6.923
  470    HZ2  TRP  58           HZ2      TRP  58   0.352  -0.843   7.482
  471    HZ3  TRP  58           HZ3      TRP  58   0.461   2.675   5.030
  472    HH2  TRP  58           HH2      TRP  58   0.814   0.242   5.304
  473    H    VAL  59           H        VAL  59  -3.710   2.664   8.350
  474    HA   VAL  59           HA       VAL  59  -2.946   3.476   5.706
  475    HB   VAL  59           HB       VAL  59  -4.952   1.356   6.512
  476   1HG1  VAL  59          1HG1      VAL  59  -3.281   1.769   4.013
  477   2HG1  VAL  59          2HG1      VAL  59  -4.324   0.382   4.319
  478   3HG1  VAL  59          3HG1      VAL  59  -5.026   1.990   4.135
  479   1HG2  VAL  59          1HG2      VAL  59  -2.588   1.215   7.526
  480   2HG2  VAL  59          2HG2      VAL  59  -3.150  -0.189   6.618
  481   3HG2  VAL  59          3HG2      VAL  59  -2.028   0.949   5.875
  482    H    LYS  60           H        LYS  60  -5.866   3.595   7.661
  483    HA   LYS  60           HA       LYS  60  -7.689   4.354   5.653
  484   1HB   LYS  60          1HB       LYS  60  -8.175   3.670   8.086
  485   2HB   LYS  60          2HB       LYS  60  -7.831   5.352   8.494
  486   1HG   LYS  60          1HG       LYS  60  -9.512   5.879   6.545
  487   2HG   LYS  60          2HG       LYS  60 -10.068   4.230   6.831
  488   1HD   LYS  60          1HD       LYS  60 -10.632   4.711   9.103
  489   2HD   LYS  60          2HD       LYS  60  -9.778   6.253   9.060
  490   1HE   LYS  60          1HE       LYS  60 -11.401   7.005   7.276
  491   2HE   LYS  60          2HE       LYS  60 -12.319   5.529   7.579
  492   1HZ   LYS  60          1HZ       LYS  60 -12.347   6.249   9.977
  493   2HZ   LYS  60          2HZ       LYS  60 -11.784   7.762   9.448
  494   3HZ   LYS  60          3HZ       LYS  60 -13.288   7.177   8.915
  495    H    LYS  61           H        LYS  61  -5.748   6.351   7.883
  496    HA   LYS  61           HA       LYS  61  -6.640   8.844   6.885
  497   1HB   LYS  61          1HB       LYS  61  -4.571   9.769   7.919
  498   2HB   LYS  61          2HB       LYS  61  -5.468   8.721   9.016
  499   1HG   LYS  61          1HG       LYS  61  -3.960   6.876   8.593
  500   2HG   LYS  61          2HG       LYS  61  -3.139   7.781   7.321
  501   1HD   LYS  61          1HD       LYS  61  -3.288   9.008  10.044
  502   2HD   LYS  61          2HD       LYS  61  -2.149   7.684   9.791
  503   1HE   LYS  61          1HE       LYS  61  -1.448   9.021   7.659
  504   2HE   LYS  61          2HE       LYS  61  -2.226  10.384   8.465
  505   1HZ   LYS  61          1HZ       LYS  61  -0.230   8.697   9.845
  506   2HZ   LYS  61          2HZ       LYS  61   0.234  10.029   8.898
  507   3HZ   LYS  61          3HZ       LYS  61  -0.759  10.259  10.254
  508    H    LEU  62           H        LEU  62  -4.172   6.603   5.821
  509    HA   LEU  62           HA       LEU  62  -2.818   8.342   4.022
  510   1HB   LEU  62          1HB       LEU  62  -3.098   5.367   4.242
  511   2HB   LEU  62          2HB       LEU  62  -2.316   6.082   2.852
  512    HG   LEU  62           HG       LEU  62  -1.430   6.524   5.706
  513   1HD1  LEU  62          1HD1      LEU  62  -1.262   4.148   4.900
  514   2HD1  LEU  62          2HD1      LEU  62  -0.251   4.723   3.575
  515   3HD1  LEU  62          3HD1      LEU  62   0.301   4.892   5.241
  516   1HD2  LEU  62          1HD2      LEU  62  -0.452   7.351   2.985
  517   2HD2  LEU  62          2HD2      LEU  62  -0.555   8.305   4.465
  518   3HD2  LEU  62          3HD2      LEU  62   0.716   7.097   4.282
  519    H    MET  63           H        MET  63  -5.252   5.812   3.497
  520    HA   MET  63           HA       MET  63  -5.715   6.162   0.782
  521   1HB   MET  63          1HB       MET  63  -7.719   5.470   2.940
  522   2HB   MET  63          2HB       MET  63  -8.003   5.283   1.213
  523   1HG   MET  63          1HG       MET  63  -5.733   3.959   2.722
  524   2HG   MET  63          2HG       MET  63  -7.251   3.164   2.317
  525   1HE   MET  63          1HE       MET  63  -7.995   2.374   0.454
  526   2HE   MET  63          2HE       MET  63  -8.003   3.662  -0.759
  527   3HE   MET  63          3HE       MET  63  -7.184   2.138  -1.091
  528    H    GLN  64           H        GLN  64  -7.179   7.881   3.502
  529    HA   GLN  64           HA       GLN  64  -8.845   9.535   1.831
  530   1HB   GLN  64          1HB       GLN  64  -9.092   8.896   4.385
  531   2HB   GLN  64          2HB       GLN  64  -8.099  10.335   4.614
  532   1HG   GLN  64          1HG       GLN  64  -9.748  11.551   3.087
  533   2HG   GLN  64          2HG       GLN  64 -10.796  10.142   3.261
  534   2HE2  GLN  64          2HE2      GLN  64 -12.404  11.355   4.491
  535   1HE2  GLN  64          1HE2      GLN  64 -12.104  11.846   6.088
  536    H    GLN  65           H        GLN  65  -5.662   9.751   3.277
  537    HA   GLN  65           HA       GLN  65  -5.264  12.542   2.861
  538   1HB   GLN  65          1HB       GLN  65  -3.525  10.205   3.512
  539   2HB   GLN  65          2HB       GLN  65  -2.756  11.678   2.923
  540   1HG   GLN  65          1HG       GLN  65  -4.827  12.117   4.987
  541   2HG   GLN  65          2HG       GLN  65  -3.413  11.226   5.543
  542   2HE2  GLN  65          2HE2      GLN  65  -1.817  12.586   6.337
  543   1HE2  GLN  65          1HE2      GLN  65  -1.506  14.158   5.780
  544    H    LEU  66           H        LEU  66  -4.572   9.646   0.968
  545    HA   LEU  66           HA       LEU  66  -3.491  11.291  -1.216
  546   1HB   LEU  66          1HB       LEU  66  -3.472   8.352  -0.644
  547   2HB   LEU  66          2HB       LEU  66  -3.092   8.976  -2.233
  548    HG   LEU  66           HG       LEU  66  -1.038   8.587  -1.065
  549   1HD1  LEU  66          1HD1      LEU  66  -1.498  10.840  -2.341
  550   2HD1  LEU  66          2HD1      LEU  66  -1.346  11.548  -0.732
  551   3HD1  LEU  66          3HD1      LEU  66  -0.004  10.639  -1.426
  552   1HD2  LEU  66          1HD2      LEU  66  -2.228   8.780   1.225
  553   2HD2  LEU  66          2HD2      LEU  66  -0.561   9.345   1.124
  554   3HD2  LEU  66          3HD2      LEU  66  -1.888  10.507   1.097
  555    HA   PRO  67           HA       PRO  67  -7.279  10.863  -3.440
  556   1HB   PRO  67          1HB       PRO  67  -6.388  11.241  -6.004
  557   2HB   PRO  67          2HB       PRO  67  -6.559  12.540  -4.815
  558   1HG   PRO  67          1HG       PRO  67  -4.102  11.236  -5.830
  559   2HG   PRO  67          2HG       PRO  67  -4.325  12.860  -5.165
  560   1HD   PRO  67          1HD       PRO  67  -3.228  10.625  -3.806
  561   2HD   PRO  67          2HD       PRO  67  -3.711  12.175  -3.075
  562    H    VAL  68           H        VAL  68  -5.095   9.521  -5.893
  563    HA   VAL  68           HA       VAL  68  -5.408   6.802  -5.477
  564    HB   VAL  68           HB       VAL  68  -7.815   8.062  -6.649
  565   1HG1  VAL  68          1HG1      VAL  68  -6.677   5.586  -7.988
  566   2HG1  VAL  68          2HG1      VAL  68  -8.310   6.210  -8.219
  567   3HG1  VAL  68          3HG1      VAL  68  -6.921   7.156  -8.755
  568   1HG2  VAL  68          1HG2      VAL  68  -7.043   5.812  -4.945
  569   2HG2  VAL  68          2HG2      VAL  68  -8.539   6.742  -4.969
  570   3HG2  VAL  68          3HG2      VAL  68  -8.327   5.386  -6.074
  571    H    THR  69           H        THR  69  -4.755   5.533  -7.394
  572    HA   THR  69           HA       THR  69  -2.589   6.740  -8.740
  573    HB   THR  69           HB       THR  69  -3.005   4.593 -10.283
  574    HG1  THR  69           HG1      THR  69  -4.741   3.640  -9.593
  575   1HG2  THR  69          1HG2      THR  69  -1.281   5.211  -8.345
  576   2HG2  THR  69          2HG2      THR  69  -2.204   3.987  -7.473
  577   3HG2  THR  69          3HG2      THR  69  -1.398   3.571  -8.985
  578    H    ALA  70           H        ALA  70  -2.460   7.877 -10.565
  579    HA   ALA  70           HA       ALA  70  -4.393   7.599 -12.696
  580   1HB   ALA  70          1HB       ALA  70  -4.850  10.149 -12.616
  581   2HB   ALA  70          2HB       ALA  70  -5.752   9.107 -11.516
  582   3HB   ALA  70          3HB       ALA  70  -4.370  10.031 -10.923
  583    H    ARG  71           H        ARG  71  -1.527   7.321 -12.316
  584    HA   ARG  71           HA       ARG  71  -0.240   9.596 -13.540
  585   1HB   ARG  71          1HB       ARG  71   0.806   7.800 -11.972
  586   2HB   ARG  71          2HB       ARG  71   0.954   6.840 -13.444
  587   1HG   ARG  71          1HG       ARG  71   2.003   9.025 -14.443
  588   2HG   ARG  71          2HG       ARG  71   2.267   9.454 -12.753
  589   1HD   ARG  71          1HD       ARG  71   3.591   7.495 -12.372
  590   2HD   ARG  71          2HD       ARG  71   3.126   6.800 -13.921
  591    HE   ARG  71           HE       ARG  71   4.442   9.315 -14.272
  592   1HH1  ARG  71          1HH1      ARG  71   5.021   5.938 -13.555
  593   2HH1  ARG  71          2HH1      ARG  71   6.629   5.962 -14.191
  594   1HH2  ARG  71          1HH2      ARG  71   6.543   9.301 -15.091
  595   2HH2  ARG  71          2HH2      ARG  71   7.486   7.849 -15.053

  No H/Q in entry =         595
  Start of MODEL   25
    1    H1   LEU   1           H1       LEU   1 -24.969 -13.425 -11.230
    2    H2   LEU   1           H2       LEU   1 -23.849 -13.127  -9.987
    3    H3   LEU   1           H3       LEU   1 -25.362 -12.363  -9.964
    4    HA   LEU   1           HA       LEU   1 -24.835 -10.911 -11.663
    5   1HB   LEU   1          1HB       LEU   1 -23.458 -10.664  -9.497
    6   2HB   LEU   1          2HB       LEU   1 -22.115 -11.341 -10.420
    7    HG   LEU   1           HG       LEU   1 -22.673  -9.529 -12.182
    8   1HD1  LEU   1          1HD1      LEU   1 -24.184  -8.534  -9.754
    9   2HD1  LEU   1          2HD1      LEU   1 -23.678  -7.474 -11.070
   10   3HD1  LEU   1          3HD1      LEU   1 -24.811  -8.790 -11.382
   11   1HD2  LEU   1          1HD2      LEU   1 -21.435  -9.073  -9.473
   12   2HD2  LEU   1          2HD2      LEU   1 -20.638  -9.256 -11.036
   13   3HD2  LEU   1          3HD2      LEU   1 -21.494  -7.763 -10.652
   14    H    GLY   2           H        GLY   2 -22.614 -13.656 -11.536
   15   1HA   GLY   2          1HA       GLY   2 -22.448 -13.688 -14.442
   16   2HA   GLY   2          2HA       GLY   2 -21.802 -14.902 -13.342
   17    H    ALA   3           H        ALA   3 -20.147 -13.552 -11.723
   18    HA   ALA   3           HA       ALA   3 -17.848 -13.117 -13.323
   19   1HB   ALA   3          1HB       ALA   3 -18.599 -10.575 -11.946
   20   2HB   ALA   3          2HB       ALA   3 -19.319 -10.920 -13.519
   21   3HB   ALA   3          3HB       ALA   3 -17.566 -10.827 -13.353
   22    H    SER   4           H        SER   4 -16.393 -14.031 -12.046
   23    HA   SER   4           HA       SER   4 -15.851 -12.983  -9.417
   24   1HB   SER   4          1HB       SER   4 -17.730 -14.540  -8.928
   25   2HB   SER   4          2HB       SER   4 -16.792 -15.854  -9.630
   26    HG   SER   4           HG       SER   4 -15.859 -16.004  -7.763
   27    H    TRP   5           H        TRP   5 -14.482 -13.363 -11.951
   28    HA   TRP   5           HA       TRP   5 -12.146 -14.811 -10.928
   29   1HB   TRP   5          1HB       TRP   5 -13.607 -16.318 -12.447
   30   2HB   TRP   5          2HB       TRP   5 -13.035 -15.291 -13.763
   31    HD1  TRP   5           HD1      TRP   5 -11.719 -17.653 -11.033
   32    HE1  TRP   5           HE1      TRP   5  -9.398 -18.514 -11.749
   33    HE3  TRP   5           HE3      TRP   5 -11.005 -14.867 -15.253
   34    HZ2  TRP   5           HZ2      TRP   5  -7.490 -18.080 -13.835
   35    HZ3  TRP   5           HZ3      TRP   5  -8.930 -15.111 -16.584
   36    HH2  TRP   5           HH2      TRP   5  -7.173 -16.712 -15.881
   37    H    HIS   6           H        HIS   6 -10.388 -13.617 -11.206
   38    HA   HIS   6           HA       HIS   6 -10.476 -11.418 -13.172
   39   1HB   HIS   6          1HB       HIS   6  -9.942 -11.182 -10.567
   40   2HB   HIS   6          2HB       HIS   6  -8.318 -11.588 -11.122
   41    HD1  HIS   6           HD1      HIS   6 -10.927  -9.486 -12.928
   42    HD2  HIS   6           HD2      HIS   6  -7.136  -9.074 -11.244
   43    HE1  HIS   6           HE1      HIS   6 -10.135  -7.151 -13.508
   44    H    ARG   7           H        ARG   7  -9.082 -11.342 -14.832
   45    HA   ARG   7           HA       ARG   7  -7.550 -13.660 -15.497
   46   1HB   ARG   7          1HB       ARG   7  -8.218 -11.088 -16.771
   47   2HB   ARG   7          2HB       ARG   7  -6.632 -11.721 -17.210
   48   1HG   ARG   7          1HG       ARG   7  -7.634 -13.858 -17.864
   49   2HG   ARG   7          2HG       ARG   7  -9.224 -13.288 -17.356
   50   1HD   ARG   7          1HD       ARG   7  -9.296 -11.645 -19.080
   51   2HD   ARG   7          2HD       ARG   7  -7.580 -11.832 -19.430
   52    HE   ARG   7           HE       ARG   7  -8.913 -14.302 -19.849
   53   1HH1  ARG   7          1HH1      ARG   7  -8.591 -11.105 -21.240
   54   2HH1  ARG   7          2HH1      ARG   7  -8.922 -11.648 -22.848
   55   1HH2  ARG   7          1HH2      ARG   7  -9.340 -14.967 -21.962
   56   2HH2  ARG   7          2HH2      ARG   7  -9.343 -13.815 -23.256
   57    HA   PRO   8           HA       PRO   8  -3.717 -11.011 -14.515
   58   1HB   PRO   8          1HB       PRO   8  -4.036  -8.534 -13.410
   59   2HB   PRO   8          2HB       PRO   8  -3.996  -8.833 -15.153
   60   1HG   PRO   8          1HG       PRO   8  -6.300  -8.183 -13.408
   61   2HG   PRO   8          2HG       PRO   8  -6.071  -7.877 -15.136
   62   1HD   PRO   8          1HD       PRO   8  -7.622  -9.955 -13.991
   63   2HD   PRO   8          2HD       PRO   8  -7.154  -9.804 -15.700
   64    H    ASP   9           H        ASP   9  -3.702 -12.674 -12.869
   65    HA   ASP   9           HA       ASP   9  -4.619 -12.070 -10.192
   66   1HB   ASP   9          1HB       ASP   9  -2.940 -14.350 -11.266
   67   2HB   ASP   9          2HB       ASP   9  -3.544 -14.238  -9.612
   68    H    LYS  10           H        LYS  10  -3.540 -10.844  -8.811
   69    HA   LYS  10           HA       LYS  10  -0.734 -11.165  -8.332
   70   1HB   LYS  10          1HB       LYS  10  -1.010  -9.629 -10.458
   71   2HB   LYS  10          2HB       LYS  10  -1.401  -8.397  -9.257
   72   1HG   LYS  10          1HG       LYS  10   0.786  -9.452  -8.089
   73   2HG   LYS  10          2HG       LYS  10   1.179  -9.784  -9.777
   74   1HD   LYS  10          1HD       LYS  10   1.052  -7.479 -10.366
   75   2HD   LYS  10          2HD       LYS  10   0.260  -7.058  -8.848
   76   1HE   LYS  10          1HE       LYS  10   2.224  -7.168  -7.630
   77   2HE   LYS  10          2HE       LYS  10   2.954  -8.350  -8.716
   78   1HZ   LYS  10          1HZ       LYS  10   2.422  -5.534  -9.480
   79   2HZ   LYS  10          2HZ       LYS  10   3.906  -6.066  -8.855
   80   3HZ   LYS  10          3HZ       LYS  10   3.340  -6.681 -10.333
   81    H    CYS  11           H        CYS  11  -3.229 -11.226  -6.873
   82    HA   CYS  11           HA       CYS  11  -3.657  -8.883  -5.351
   83   1HB   CYS  11          1HB       CYS  11  -4.093 -11.748  -4.472
   84   2HB   CYS  11          2HB       CYS  11  -4.854 -10.311  -3.792
   85    H    CYS  12           H        CYS  12  -3.436  -9.389  -2.740
   86    HA   CYS  12           HA       CYS  12  -0.541  -9.851  -2.310
   87   1HB   CYS  12          1HB       CYS  12  -1.510  -7.431  -2.094
   88   2HB   CYS  12          2HB       CYS  12  -2.144  -8.019  -0.556
   89    H    LEU  13           H        LEU  13   0.051 -10.601  -0.183
   90    HA   LEU  13           HA       LEU  13  -2.109 -12.147   1.123
   91   1HB   LEU  13          1HB       LEU  13   0.819 -12.841   0.926
   92   2HB   LEU  13          2HB       LEU  13  -0.400 -13.781   1.758
   93    HG   LEU  13           HG       LEU  13  -0.339 -13.259  -1.224
   94   1HD1  LEU  13          1HD1      LEU  13   1.493 -14.733  -0.426
   95   2HD1  LEU  13          2HD1      LEU  13   0.302 -15.762   0.368
   96   3HD1  LEU  13          3HD1      LEU  13   0.314 -15.620  -1.390
   97   1HD2  LEU  13          1HD2      LEU  13  -2.088 -15.036   0.509
   98   2HD2  LEU  13          2HD2      LEU  13  -2.610 -13.587  -0.348
   99   3HD2  LEU  13          3HD2      LEU  13  -2.104 -15.012  -1.256
  100    H    GLY  14           H        GLY  14   0.943 -10.430   1.596
  101   1HA   GLY  14          1HA       GLY  14   1.949  -9.948   3.724
  102   2HA   GLY  14          2HA       GLY  14   0.388 -10.236   4.487
  103    H    TYR  15           H        TYR  15   1.494  -8.009   5.301
  104    HA   TYR  15           HA       TYR  15   0.605  -5.791   3.590
  105   1HB   TYR  15          1HB       TYR  15  -0.356  -6.249   6.423
  106   2HB   TYR  15          2HB       TYR  15  -0.574  -4.750   5.524
  107    HD1  TYR  15           HD1      TYR  15  -1.390  -8.381   5.554
  108    HD2  TYR  15           HD2      TYR  15  -2.244  -4.537   3.854
  109    HE1  TYR  15           HE1      TYR  15  -3.405  -9.317   4.449
  110    HE2  TYR  15           HE2      TYR  15  -4.254  -5.461   2.751
  111    HH   TYR  15           HH       TYR  15  -5.543  -8.518   3.549
  112    H    GLN  16           H        GLN  16   1.053  -3.651   4.914
  113    HA   GLN  16           HA       GLN  16   3.834  -3.406   5.175
  114   1HB   GLN  16          1HB       GLN  16   2.333  -1.488   4.722
  115   2HB   GLN  16          2HB       GLN  16   1.694  -1.615   6.356
  116   1HG   GLN  16          1HG       GLN  16   3.432   0.144   6.191
  117   2HG   GLN  16          2HG       GLN  16   3.914  -1.147   7.288
  118   2HE2  GLN  16          2HE2      GLN  16   5.495  -2.770   6.419
  119   1HE2  GLN  16          1HE2      GLN  16   6.550  -2.313   5.172
  120    H    LYS  17           H        LYS  17   1.316  -3.822   7.616
  121    HA   LYS  17           HA       LYS  17   1.399  -4.505   9.807
  122   1HB   LYS  17          1HB       LYS  17   4.243  -5.336   9.190
  123   2HB   LYS  17          2HB       LYS  17   3.253  -5.885  10.543
  124   1HG   LYS  17          1HG       LYS  17   2.304  -6.238   7.706
  125   2HG   LYS  17          2HG       LYS  17   3.404  -7.406   8.438
  126   1HD   LYS  17          1HD       LYS  17   0.845  -6.553   9.799
  127   2HD   LYS  17          2HD       LYS  17   0.894  -7.902   8.663
  128   1HE   LYS  17          1HE       LYS  17   2.967  -7.882  10.798
  129   2HE   LYS  17          2HE       LYS  17   1.314  -8.227  11.303
  130   1HZ   LYS  17          1HZ       LYS  17   2.510  -9.594   8.977
  131   2HZ   LYS  17          2HZ       LYS  17   2.778 -10.164  10.552
  132   3HZ   LYS  17          3HZ       LYS  17   1.196 -10.080   9.938
  133    H    ARG  18           H        ARG  18   2.472  -1.799   8.855
  134    HA   ARG  18           HA       ARG  18   3.101  -0.773  11.413
  135   1HB   ARG  18          1HB       ARG  18   5.425  -0.024  10.980
  136   2HB   ARG  18          2HB       ARG  18   5.297  -1.781  11.062
  137   1HG   ARG  18          1HG       ARG  18   5.251  -1.912   8.610
  138   2HG   ARG  18          2HG       ARG  18   5.328  -0.153   8.502
  139   1HD   ARG  18          1HD       ARG  18   7.562  -1.066   8.179
  140   2HD   ARG  18          2HD       ARG  18   7.503  -0.209   9.716
  141    HE   ARG  18           HE       ARG  18   6.900  -2.944  10.142
  142   1HH1  ARG  18          1HH1      ARG  18   9.578  -0.849   9.310
  143   2HH1  ARG  18          2HH1      ARG  18  10.764  -1.905   9.994
  144   1HH2  ARG  18          1HH2      ARG  18   8.479  -4.292  11.021
  145   2HH2  ARG  18          2HH2      ARG  18  10.150  -3.838  10.955
  146    HA   PRO  19           HA       PRO  19   1.824   2.747   9.061
  147   1HB   PRO  19          1HB       PRO  19   2.193   4.691  10.943
  148   2HB   PRO  19          2HB       PRO  19   0.868   3.520  10.979
  149   1HG   PRO  19          1HG       PRO  19   3.271   3.672  12.678
  150   2HG   PRO  19          2HG       PRO  19   1.716   2.889  12.992
  151   1HD   PRO  19          1HD       PRO  19   4.153   1.626  12.178
  152   2HD   PRO  19          2HD       PRO  19   2.555   0.868  12.369
  153    H    LEU  20           H        LEU  20   2.738   3.982   7.550
  154    HA   LEU  20           HA       LEU  20   5.532   4.873   7.946
  155   1HB   LEU  20          1HB       LEU  20   4.380   4.904   5.223
  156   2HB   LEU  20          2HB       LEU  20   5.992   4.484   5.754
  157    HG   LEU  20           HG       LEU  20   3.533   2.723   5.774
  158   1HD1  LEU  20          1HD1      LEU  20   5.232   3.235   3.733
  159   2HD1  LEU  20          2HD1      LEU  20   6.120   1.940   4.535
  160   3HD1  LEU  20          3HD1      LEU  20   4.471   1.663   3.972
  161   1HD2  LEU  20          1HD2      LEU  20   6.121   2.545   7.241
  162   2HD2  LEU  20          2HD2      LEU  20   4.538   1.901   7.674
  163   3HD2  LEU  20          3HD2      LEU  20   5.534   1.064   6.484
  164    HA   PRO  21           HA       PRO  21   4.069   9.028   7.531
  165   1HB   PRO  21          1HB       PRO  21   6.316  10.278   6.600
  166   2HB   PRO  21          2HB       PRO  21   6.135   9.685   8.261
  167   1HG   PRO  21          1HG       PRO  21   7.768   8.597   6.053
  168   2HG   PRO  21          2HG       PRO  21   7.966   8.405   7.801
  169   1HD   PRO  21          1HD       PRO  21   6.845   6.510   5.977
  170   2HD   PRO  21          2HD       PRO  21   6.907   6.386   7.751
  171    H    GLN  22           H        GLN  22   2.883  10.152   6.078
  172    HA   GLN  22           HA       GLN  22   2.912   9.447   3.292
  173   1HB   GLN  22          1HB       GLN  22   0.896  10.207   4.701
  174   2HB   GLN  22          2HB       GLN  22   1.510  11.843   4.459
  175   1HG   GLN  22          1HG       GLN  22   1.629  10.939   1.913
  176   2HG   GLN  22          2HG       GLN  22   0.278   9.972   2.504
  177   2HE2  GLN  22          2HE2      GLN  22   0.913  12.860   1.002
  178   1HE2  GLN  22          1HE2      GLN  22  -0.427  13.756   1.532
  179    H    VAL  23           H        VAL  23   4.843  11.525   5.113
  180    HA   VAL  23           HA       VAL  23   5.142  13.824   3.610
  181    HB   VAL  23           HB       VAL  23   6.205  13.437   5.797
  182   1HG1  VAL  23          1HG1      VAL  23   6.960  11.029   4.860
  183   2HG1  VAL  23          2HG1      VAL  23   8.451  11.925   4.561
  184   3HG1  VAL  23          3HG1      VAL  23   7.791  11.829   6.194
  185   1HG2  VAL  23          1HG2      VAL  23   8.157  14.052   3.558
  186   2HG2  VAL  23          2HG2      VAL  23   7.107  15.212   4.371
  187   3HG2  VAL  23          3HG2      VAL  23   8.416  14.435   5.260
  188    H    LEU  24           H        LEU  24   6.105  10.577   2.794
  189    HA   LEU  24           HA       LEU  24   7.431  11.654   0.383
  190   1HB   LEU  24          1HB       LEU  24   9.132  10.086   0.452
  191   2HB   LEU  24          2HB       LEU  24   8.981  10.617   2.106
  192    HG   LEU  24           HG       LEU  24   9.309   8.311   2.282
  193   1HD1  LEU  24          1HD1      LEU  24   7.256   9.120   3.505
  194   2HD1  LEU  24          2HD1      LEU  24   6.291   8.483   2.174
  195   3HD1  LEU  24          3HD1      LEU  24   7.269   7.392   3.155
  196   1HD2  LEU  24          1HD2      LEU  24   8.642   8.168  -0.325
  197   2HD2  LEU  24          2HD2      LEU  24   8.743   6.744   0.711
  198   3HD2  LEU  24          3HD2      LEU  24   7.177   7.486   0.381
  199    H    LEU  25           H        LEU  25   4.753  10.013   1.399
  200    HA   LEU  25           HA       LEU  25   4.691   7.926  -0.581
  201   1HB   LEU  25          1HB       LEU  25   3.334   8.315   1.703
  202   2HB   LEU  25          2HB       LEU  25   2.180   8.993   0.579
  203    HG   LEU  25           HG       LEU  25   1.949   6.886  -0.561
  204   1HD1  LEU  25          1HD1      LEU  25   4.489   6.303   0.835
  205   2HD1  LEU  25          2HD1      LEU  25   3.343   4.962   0.801
  206   3HD1  LEU  25          3HD1      LEU  25   3.886   5.695  -0.706
  207   1HD2  LEU  25          1HD2      LEU  25   1.784   6.969   2.417
  208   2HD2  LEU  25          2HD2      LEU  25   0.500   6.764   1.226
  209   3HD2  LEU  25          3HD2      LEU  25   1.547   5.405   1.635
  210    H    SER  26           H        SER  26   2.692   7.896  -2.102
  211    HA   SER  26           HA       SER  26   2.371  10.562  -3.343
  212   1HB   SER  26          1HB       SER  26   3.940   8.684  -4.469
  213   2HB   SER  26          2HB       SER  26   2.386   8.200  -5.140
  214    HG   SER  26           HG       SER  26   3.847  10.020  -6.108
  215    H    SER  27           H        SER  27   1.151   7.250  -3.902
  216    HA   SER  27           HA       SER  27  -1.560   8.060  -3.219
  217   1HB   SER  27          1HB       SER  27  -0.668   8.209  -5.926
  218   2HB   SER  27          2HB       SER  27  -1.788   6.857  -5.806
  219    HG   SER  27           HG       SER  27  -3.117   8.537  -6.032
  220    H    TRP  28           H        TRP  28  -2.930   5.981  -4.423
  221    HA   TRP  28           HA       TRP  28  -1.568   3.482  -3.730
  222   1HB   TRP  28          1HB       TRP  28  -3.519   2.791  -2.292
  223   2HB   TRP  28          2HB       TRP  28  -2.503   4.046  -1.588
  224    HD1  TRP  28           HD1      TRP  28  -3.456   6.535  -1.543
  225    HE1  TRP  28           HE1      TRP  28  -5.863   7.451  -1.649
  226    HE3  TRP  28           HE3      TRP  28  -5.906   2.399  -3.288
  227    HZ2  TRP  28           HZ2      TRP  28  -8.475   6.547  -2.379
  228    HZ3  TRP  28           HZ3      TRP  28  -8.348   2.460  -3.680
  229    HH2  TRP  28           HH2      TRP  28  -9.637   4.527  -3.227
  230    H    TYR  29           H        TYR  29  -2.314   1.758  -4.886
  231    HA   TYR  29           HA       TYR  29  -4.651   2.278  -6.616
  232   1HB   TYR  29          1HB       TYR  29  -3.670   1.034  -8.375
  233   2HB   TYR  29          2HB       TYR  29  -2.385   2.067  -7.766
  234    HD1  TYR  29           HD1      TYR  29  -0.484   1.113  -6.511
  235    HD2  TYR  29           HD2      TYR  29  -3.644  -1.376  -8.019
  236    HE1  TYR  29           HE1      TYR  29   0.925  -0.894  -6.155
  237    HE2  TYR  29           HE2      TYR  29  -2.234  -3.382  -7.661
  238    HH   TYR  29           HH       TYR  29  -0.002  -3.755  -5.828
  239    HA   PRO  30           HA       PRO  30  -6.360  -1.230  -4.476
  240   1HB   PRO  30          1HB       PRO  30  -8.664  -1.480  -5.921
  241   2HB   PRO  30          2HB       PRO  30  -8.395  -0.219  -4.709
  242   1HG   PRO  30          1HG       PRO  30  -8.450  -0.007  -7.658
  243   2HG   PRO  30          2HG       PRO  30  -8.768   1.230  -6.432
  244   1HD   PRO  30          1HD       PRO  30  -6.373   0.900  -7.940
  245   2HD   PRO  30          2HD       PRO  30  -6.628   2.003  -6.568
  246    H    THR  31           H        THR  31  -6.921  -3.462  -4.778
  247    HA   THR  31           HA       THR  31  -6.053  -4.585  -7.376
  248    HB   THR  31           HB       THR  31  -4.393  -5.046  -5.628
  249    HG1  THR  31           HG1      THR  31  -4.204  -7.050  -6.258
  250   1HG2  THR  31          1HG2      THR  31  -6.038  -4.899  -3.724
  251   2HG2  THR  31          2HG2      THR  31  -6.608  -6.507  -4.172
  252   3HG2  THR  31          3HG2      THR  31  -4.945  -6.280  -3.631
  253    H    SER  32           H        SER  32  -6.761  -7.122  -7.222
  254    HA   SER  32           HA       SER  32  -9.550  -7.124  -7.628
  255   1HB   SER  32          1HB       SER  32  -7.437  -9.217  -7.440
  256   2HB   SER  32          2HB       SER  32  -9.115  -9.730  -7.295
  257    HG   SER  32           HG       SER  32  -9.105  -9.602  -9.392
  258    H    GLN  33           H        GLN  33 -11.254  -7.582  -6.341
  259    HA   GLN  33           HA       GLN  33 -10.715  -7.879  -3.472
  260   1HB   GLN  33          1HB       GLN  33 -13.119  -7.250  -3.241
  261   2HB   GLN  33          2HB       GLN  33 -12.150  -6.018  -4.042
  262   1HG   GLN  33          1HG       GLN  33 -13.096  -6.438  -6.123
  263   2HG   GLN  33          2HG       GLN  33 -13.515  -8.100  -5.712
  264   2HE2  GLN  33          2HE2      GLN  33 -14.320  -4.783  -4.521
  265   1HE2  GLN  33          1HE2      GLN  33 -15.972  -5.111  -4.305
  266    H    LEU  34           H        LEU  34 -10.305 -10.186  -5.013
  267    HA   LEU  34           HA       LEU  34 -12.253 -11.950  -3.760
  268   1HB   LEU  34          1HB       LEU  34 -12.458 -13.238  -5.973
  269   2HB   LEU  34          2HB       LEU  34 -13.452 -11.822  -5.732
  270    HG   LEU  34           HG       LEU  34 -12.452 -12.075  -8.030
  271   1HD1  LEU  34          1HD1      LEU  34 -12.989  -9.833  -6.592
  272   2HD1  LEU  34          2HD1      LEU  34 -11.297  -9.551  -7.001
  273   3HD1  LEU  34          3HD1      LEU  34 -12.481  -9.811  -8.281
  274   1HD2  LEU  34          1HD2      LEU  34  -9.897 -11.392  -6.542
  275   2HD2  LEU  34          2HD2      LEU  34 -10.242 -12.920  -7.350
  276   3HD2  LEU  34          3HD2      LEU  34 -10.075 -11.441  -8.296
  277    H    CYS  35           H        CYS  35  -9.681 -11.623  -3.022
  278    HA   CYS  35           HA       CYS  35  -8.375 -14.094  -4.004
  279   1HB   CYS  35          1HB       CYS  35  -7.240 -11.377  -3.473
  280   2HB   CYS  35          2HB       CYS  35  -6.238 -12.794  -3.160
  281    H    SER  36           H        SER  36 -10.227 -13.721  -1.760
  282    HA   SER  36           HA       SER  36 -10.437 -14.551   0.378
  283   1HB   SER  36          1HB       SER  36  -7.552 -15.174   0.701
  284   2HB   SER  36          2HB       SER  36  -8.967 -16.131   1.130
  285    HG   SER  36           HG       SER  36  -7.449 -16.444  -0.953
  286    H    LYS  37           H        LYS  37  -7.139 -13.208   0.253
  287    HA   LYS  37           HA       LYS  37  -7.946 -11.311   2.380
  288   1HB   LYS  37          1HB       LYS  37  -5.556 -11.330   3.091
  289   2HB   LYS  37          2HB       LYS  37  -6.344 -12.895   3.278
  290   1HG   LYS  37          1HG       LYS  37  -5.242 -12.755   0.627
  291   2HG   LYS  37          2HG       LYS  37  -3.993 -12.273   1.773
  292   1HD   LYS  37          1HD       LYS  37  -5.610 -14.646   2.533
  293   2HD   LYS  37          2HD       LYS  37  -4.512 -14.858   1.169
  294   1HE   LYS  37          1HE       LYS  37  -2.663 -13.925   2.573
  295   2HE   LYS  37          2HE       LYS  37  -3.775 -13.876   3.941
  296   1HZ   LYS  37          1HZ       LYS  37  -4.109 -16.274   3.673
  297   2HZ   LYS  37          2HZ       LYS  37  -2.964 -16.293   2.419
  298   3HZ   LYS  37          3HZ       LYS  37  -2.489 -15.892   4.000
  299    HA   PRO  38           HA       PRO  38  -6.568  -8.832  -1.259
  300   1HB   PRO  38          1HB       PRO  38  -8.716  -7.147  -1.321
  301   2HB   PRO  38          2HB       PRO  38  -8.670  -8.711  -2.148
  302   1HG   PRO  38          1HG       PRO  38 -10.133  -7.925   0.300
  303   2HG   PRO  38          2HG       PRO  38 -10.492  -9.208  -0.867
  304   1HD   PRO  38          1HD       PRO  38  -9.283  -9.528   1.690
  305   2HD   PRO  38          2HD       PRO  38  -9.442 -10.768   0.425
  306    H    GLY  39           H        GLY  39  -5.987  -6.554  -1.402
  307   1HA   GLY  39          1HA       GLY  39  -4.764  -5.491   0.844
  308   2HA   GLY  39          2HA       GLY  39  -6.353  -4.735   0.767
  309    H    VAL  40           H        VAL  40  -5.355  -2.691   0.368
  310    HA   VAL  40           HA       VAL  40  -4.756  -2.288  -2.465
  311    HB   VAL  40           HB       VAL  40  -4.984  -0.189  -0.299
  312   1HG1  VAL  40          1HG1      VAL  40  -3.981   0.069  -2.798
  313   2HG1  VAL  40          2HG1      VAL  40  -5.694   0.319  -3.131
  314   3HG1  VAL  40          3HG1      VAL  40  -4.859   1.352  -1.971
  315   1HG2  VAL  40          1HG2      VAL  40  -7.031  -1.709  -0.636
  316   2HG2  VAL  40          2HG2      VAL  40  -7.291   0.026  -0.823
  317   3HG2  VAL  40          3HG2      VAL  40  -7.141  -1.003  -2.248
  318    H    ILE  41           H        ILE  41  -2.848  -1.611  -3.271
  319    HA   ILE  41           HA       ILE  41  -0.553  -1.664  -1.432
  320    HB   ILE  41           HB       ILE  41  -0.788  -2.045  -4.423
  321   1HG1  ILE  41          1HG1      ILE  41   0.371  -4.240  -3.671
  322   2HG1  ILE  41          2HG1      ILE  41  -0.148  -3.781  -2.049
  323   1HG2  ILE  41          1HG2      ILE  41   1.673  -1.718  -2.694
  324   2HG2  ILE  41          2HG2      ILE  41   1.719  -2.583  -4.229
  325   3HG2  ILE  41          3HG2      ILE  41   1.278  -0.875  -4.193
  326   1HD1  ILE  41          1HD1      ILE  41  -2.142  -3.725  -4.290
  327   2HD1  ILE  41          2HD1      ILE  41  -1.719  -5.270  -3.553
  328   3HD1  ILE  41          3HD1      ILE  41  -2.410  -3.981  -2.566
  329    H    PHE  42           H        PHE  42   0.681   0.082  -1.087
  330    HA   PHE  42           HA       PHE  42  -0.190   2.629  -2.229
  331   1HB   PHE  42          1HB       PHE  42   1.554   1.819   0.073
  332   2HB   PHE  42          2HB       PHE  42   1.718   3.436  -0.610
  333    HD1  PHE  42           HD1      PHE  42  -0.139   5.039  -0.529
  334    HD2  PHE  42           HD2      PHE  42  -0.474   1.133   1.225
  335    HE1  PHE  42           HE1      PHE  42  -2.161   5.769   0.709
  336    HE2  PHE  42           HE2      PHE  42  -2.496   1.863   2.461
  337    HZ   PHE  42           HZ       PHE  42  -3.339   4.180   2.204
  338    H    LEU  43           H        LEU  43   1.427   4.169  -3.008
  339    HA   LEU  43           HA       LEU  43   3.822   2.900  -4.176
  340   1HB   LEU  43          1HB       LEU  43   2.213   4.919  -5.707
  341   2HB   LEU  43          2HB       LEU  43   3.474   3.862  -6.294
  342    HG   LEU  43           HG       LEU  43   1.450   3.028  -7.189
  343   1HD1  LEU  43          1HD1      LEU  43   2.994   1.481  -5.449
  344   2HD1  LEU  43          2HD1      LEU  43   1.333   1.111  -4.991
  345   3HD1  LEU  43          3HD1      LEU  43   1.862   0.877  -6.656
  346   1HD2  LEU  43          1HD2      LEU  43   0.199   4.305  -5.167
  347   2HD2  LEU  43          2HD2      LEU  43  -0.590   3.067  -6.143
  348   3HD2  LEU  43          3HD2      LEU  43   0.091   2.649  -4.570
  349    H    THR  44           H        THR  44   5.278   3.904  -2.844
  350    HA   THR  44           HA       THR  44   5.087   6.601  -1.993
  351    HB   THR  44           HB       THR  44   7.500   6.343  -1.429
  352    HG1  THR  44           HG1      THR  44   7.848   4.903  -3.307
  353   1HG2  THR  44          1HG2      THR  44   5.388   4.398  -0.647
  354   2HG2  THR  44          2HG2      THR  44   7.036   4.049  -0.126
  355   3HG2  THR  44          3HG2      THR  44   6.266   5.564   0.342
  356    H    LYS  45           H        LYS  45   6.784   8.270  -2.565
  357    HA   LYS  45           HA       LYS  45   6.557   8.982  -5.283
  358   1HB   LYS  45          1HB       LYS  45   8.233   9.965  -2.998
  359   2HB   LYS  45          2HB       LYS  45   8.554  10.552  -4.630
  360   1HG   LYS  45          1HG       LYS  45   6.601  11.734  -4.737
  361   2HG   LYS  45          2HG       LYS  45   5.702  10.532  -3.811
  362   1HD   LYS  45          1HD       LYS  45   6.222  11.494  -1.797
  363   2HD   LYS  45          2HD       LYS  45   7.818  12.015  -2.340
  364   1HE   LYS  45          1HE       LYS  45   7.026  13.989  -3.224
  365   2HE   LYS  45          2HE       LYS  45   5.451  13.301  -3.622
  366   1HZ   LYS  45          1HZ       LYS  45   6.334  13.751  -0.831
  367   2HZ   LYS  45          2HZ       LYS  45   5.504  14.934  -1.726
  368   3HZ   LYS  45          3HZ       LYS  45   4.761  13.446  -1.398
  369    H    ARG  46           H        ARG  46   9.432   7.913  -3.470
  370    HA   ARG  46           HA       ARG  46  10.502   6.785  -5.984
  371   1HB   ARG  46          1HB       ARG  46  11.571   8.985  -5.081
  372   2HB   ARG  46          2HB       ARG  46  12.304   7.920  -3.880
  373   1HG   ARG  46          1HG       ARG  46  13.006   6.457  -5.892
  374   2HG   ARG  46          2HG       ARG  46  12.635   7.873  -6.877
  375   1HD   ARG  46          1HD       ARG  46  14.421   8.098  -4.462
  376   2HD   ARG  46          2HD       ARG  46  15.069   7.580  -6.015
  377    HE   ARG  46           HE       ARG  46  14.234  10.252  -5.299
  378   1HH1  ARG  46          1HH1      ARG  46  14.708   7.999  -7.938
  379   2HH1  ARG  46          2HH1      ARG  46  14.911   9.248  -9.117
  380   1HH2  ARG  46          1HH2      ARG  46  14.505  11.848  -6.870
  381   2HH2  ARG  46          2HH2      ARG  46  14.797  11.409  -8.520
  382    H    GLY  47           H        GLY  47   9.425   6.026  -2.935
  383   1HA   GLY  47          1HA       GLY  47   9.834   4.334  -1.436
  384   2HA   GLY  47          2HA       GLY  47  11.468   4.223  -2.081
  385    H    ARG  48           H        ARG  48   8.521   2.700  -1.814
  386    HA   ARG  48           HA       ARG  48   8.688   1.151  -4.278
  387   1HB   ARG  48          1HB       ARG  48   9.749   0.191  -1.701
  388   2HB   ARG  48          2HB       ARG  48   8.632  -0.926  -2.481
  389   1HG   ARG  48          1HG       ARG  48   9.960  -0.734  -4.582
  390   2HG   ARG  48          2HG       ARG  48  11.111   0.296  -3.730
  391   1HD   ARG  48          1HD       ARG  48  11.219  -1.670  -2.016
  392   2HD   ARG  48          2HD       ARG  48  10.536  -2.629  -3.325
  393    HE   ARG  48           HE       ARG  48  13.234  -1.610  -3.159
  394   1HH1  ARG  48          1HH1      ARG  48  10.684  -2.643  -5.324
  395   2HH1  ARG  48          2HH1      ARG  48  11.777  -3.047  -6.601
  396   1HH2  ARG  48          1HH2      ARG  48  14.624  -2.150  -4.850
  397   2HH2  ARG  48          2HH2      ARG  48  13.990  -2.771  -6.338
  398    H    GLN  49           H        GLN  49   7.119  -0.948  -3.726
  399    HA   GLN  49           HA       GLN  49   4.540   0.306  -3.174
  400   1HB   GLN  49          1HB       GLN  49   5.454  -2.201  -4.505
  401   2HB   GLN  49          2HB       GLN  49   3.850  -2.202  -3.771
  402   1HG   GLN  49          1HG       GLN  49   3.006  -0.717  -5.289
  403   2HG   GLN  49          2HG       GLN  49   4.516   0.186  -5.402
  404   2HE2  GLN  49          2HE2      GLN  49   5.120   0.088  -7.577
  405   1HE2  GLN  49          1HE2      GLN  49   5.174  -1.336  -8.499
  406    H    VAL  50           H        VAL  50   3.010  -0.632  -1.690
  407    HA   VAL  50           HA       VAL  50   4.021  -2.556   0.263
  408    HB   VAL  50           HB       VAL  50   3.095   0.188   1.144
  409   1HG1  VAL  50          1HG1      VAL  50   2.774  -2.007   2.576
  410   2HG1  VAL  50          2HG1      VAL  50   4.506  -1.834   2.856
  411   3HG1  VAL  50          3HG1      VAL  50   3.403  -0.544   3.333
  412   1HG2  VAL  50          1HG2      VAL  50   5.852  -1.050   0.979
  413   2HG2  VAL  50          2HG2      VAL  50   5.290   0.414   0.173
  414   3HG2  VAL  50          3HG2      VAL  50   5.488   0.392   1.926
  415    H    CYS  51           H        CYS  51   2.449  -3.897   0.812
  416    HA   CYS  51           HA       CYS  51  -0.282  -3.431  -0.004
  417   1HB   CYS  51          1HB       CYS  51   1.051  -5.640   1.581
  418   2HB   CYS  51          2HB       CYS  51  -0.674  -5.620   1.218
  419    H    ALA  52           H        ALA  52  -1.963  -2.720   1.256
  420    HA   ALA  52           HA       ALA  52  -1.625  -2.645   4.162
  421   1HB   ALA  52          1HB       ALA  52  -0.699  -0.488   3.071
  422   2HB   ALA  52          2HB       ALA  52  -2.393  -0.098   2.773
  423   3HB   ALA  52          3HB       ALA  52  -1.820  -0.331   4.424
  424    H    ASP  53           H        ASP  53  -3.450  -3.173   5.127
  425    HA   ASP  53           HA       ASP  53  -5.909  -3.402   3.611
  426   1HB   ASP  53          1HB       ASP  53  -4.918  -4.292   6.247
  427   2HB   ASP  53          2HB       ASP  53  -6.629  -3.869   6.216
  428    H    LYS  54           H        LYS  54  -7.352  -1.826   3.384
  429    HA   LYS  54           HA       LYS  54  -7.095   0.737   4.472
  430   1HB   LYS  54          1HB       LYS  54  -9.489   1.049   3.769
  431   2HB   LYS  54          2HB       LYS  54  -8.437   0.425   2.500
  432   1HG   LYS  54          1HG       LYS  54  -9.664  -1.681   4.156
  433   2HG   LYS  54          2HG       LYS  54 -10.834  -0.710   3.264
  434   1HD   LYS  54          1HD       LYS  54  -8.435  -1.551   1.733
  435   2HD   LYS  54          2HD       LYS  54  -9.544  -2.844   2.190
  436   1HE   LYS  54          1HE       LYS  54 -11.424  -1.405   1.260
  437   2HE   LYS  54          2HE       LYS  54 -10.177  -0.355   0.590
  438   1HZ   LYS  54          1HZ       LYS  54  -9.268  -2.253  -0.600
  439   2HZ   LYS  54          2HZ       LYS  54 -10.478  -3.257   0.038
  440   3HZ   LYS  54          3HZ       LYS  54 -10.895  -1.997  -1.023
  441    H    SER  55           H        SER  55  -8.572  -2.128   5.791
  442    HA   SER  55           HA       SER  55 -10.330  -1.013   7.664
  443   1HB   SER  55          1HB       SER  55  -9.514  -3.179   9.005
  444   2HB   SER  55          2HB       SER  55 -10.584  -3.287   7.612
  445    HG   SER  55           HG       SER  55  -8.341  -4.482   7.841
  446    H    LYS  56           H        LYS  56  -6.849  -1.167   7.625
  447    HA   LYS  56           HA       LYS  56  -6.280  -0.888  10.359
  448   1HB   LYS  56          1HB       LYS  56  -4.766   0.316   8.028
  449   2HB   LYS  56          2HB       LYS  56  -4.132   0.040   9.652
  450   1HG   LYS  56          1HG       LYS  56  -5.349  -2.307   8.286
  451   2HG   LYS  56          2HG       LYS  56  -3.805  -1.737   7.652
  452   1HD   LYS  56          1HD       LYS  56  -2.685  -2.118   9.681
  453   2HD   LYS  56          2HD       LYS  56  -4.182  -2.129  10.613
  454   1HE   LYS  56          1HE       LYS  56  -3.832  -4.401  10.509
  455   2HE   LYS  56          2HE       LYS  56  -4.705  -4.201   8.989
  456   1HZ   LYS  56          1HZ       LYS  56  -1.781  -3.875   9.050
  457   2HZ   LYS  56          2HZ       LYS  56  -2.449  -5.435   9.015
  458   3HZ   LYS  56          3HZ       LYS  56  -2.786  -4.339   7.760
  459    H    ASP  57           H        ASP  57  -4.954   1.351  10.902
  460    HA   ASP  57           HA       ASP  57  -7.053   3.422  10.777
  461   1HB   ASP  57          1HB       ASP  57  -4.766   3.037  12.722
  462   2HB   ASP  57          2HB       ASP  57  -5.879   4.405  12.746
  463    H    TRP  58           H        TRP  58  -3.486   3.159  10.799
  464    HA   TRP  58           HA       TRP  58  -3.068   5.803   9.877
  465   1HB   TRP  58          1HB       TRP  58  -0.765   5.083   9.379
  466   2HB   TRP  58          2HB       TRP  58  -1.277   4.575  10.984
  467    HD1  TRP  58           HD1      TRP  58  -1.786   1.972  11.353
  468    HE1  TRP  58           HE1      TRP  58  -0.955  -0.111  10.083
  469    HE3  TRP  58           HE3      TRP  58  -0.145   4.160   7.050
  470    HZ2  TRP  58           HZ2      TRP  58   0.251  -0.765   7.552
  471    HZ3  TRP  58           HZ3      TRP  58   0.841   2.797   5.232
  472    HH2  TRP  58           HH2      TRP  58   1.038   0.341   5.480
  473    H    VAL  59           H        VAL  59  -3.738   2.799   8.240
  474    HA   VAL  59           HA       VAL  59  -2.957   3.698   5.629
  475    HB   VAL  59           HB       VAL  59  -4.865   1.477   6.405
  476   1HG1  VAL  59          1HG1      VAL  59  -3.775   2.488   3.843
  477   2HG1  VAL  59          2HG1      VAL  59  -3.669   0.741   4.062
  478   3HG1  VAL  59          3HG1      VAL  59  -5.234   1.549   4.152
  479   1HG2  VAL  59          1HG2      VAL  59  -1.879   1.479   5.869
  480   2HG2  VAL  59          2HG2      VAL  59  -2.657   1.170   7.420
  481   3HG2  VAL  59          3HG2      VAL  59  -2.861   0.030   6.090
  482    H    LYS  60           H        LYS  60  -5.989   3.486   7.430
  483    HA   LYS  60           HA       LYS  60  -7.771   4.303   5.441
  484   1HB   LYS  60          1HB       LYS  60  -8.244   3.496   7.857
  485   2HB   LYS  60          2HB       LYS  60  -8.062   5.193   8.301
  486   1HG   LYS  60          1HG       LYS  60  -9.721   5.584   6.284
  487   2HG   LYS  60          2HG       LYS  60 -10.154   3.901   6.584
  488   1HD   LYS  60          1HD       LYS  60 -10.576   4.459   8.971
  489   2HD   LYS  60          2HD       LYS  60 -10.214   6.149   8.619
  490   1HE   LYS  60          1HE       LYS  60 -12.049   6.103   6.891
  491   2HE   LYS  60          2HE       LYS  60 -12.475   4.493   7.470
  492   1HZ   LYS  60          1HZ       LYS  60 -12.234   6.713   9.384
  493   2HZ   LYS  60          2HZ       LYS  60 -13.649   6.559   8.455
  494   3HZ   LYS  60          3HZ       LYS  60 -13.172   5.301   9.487
  495    H    LYS  61           H        LYS  61  -5.625   6.187   7.493
  496    HA   LYS  61           HA       LYS  61  -6.736   8.735   6.795
  497   1HB   LYS  61          1HB       LYS  61  -4.177   7.840   8.099
  498   2HB   LYS  61          2HB       LYS  61  -4.395   9.524   7.618
  499   1HG   LYS  61          1HG       LYS  61  -6.606   9.461   8.893
  500   2HG   LYS  61          2HG       LYS  61  -6.066   7.923   9.565
  501   1HD   LYS  61          1HD       LYS  61  -3.988   9.062  10.373
  502   2HD   LYS  61          2HD       LYS  61  -4.656  10.596   9.814
  503   1HE   LYS  61          1HE       LYS  61  -6.316   8.877  11.621
  504   2HE   LYS  61          2HE       LYS  61  -5.005   9.826  12.321
  505   1HZ   LYS  61          1HZ       LYS  61  -5.950  11.792  11.204
  506   2HZ   LYS  61          2HZ       LYS  61  -7.269  10.849  10.696
  507   3HZ   LYS  61          3HZ       LYS  61  -7.005  11.113  12.350
  508    H    LEU  62           H        LEU  62  -4.056   6.762   5.594
  509    HA   LEU  62           HA       LEU  62  -3.059   8.679   3.744
  510   1HB   LEU  62          1HB       LEU  62  -2.886   5.672   3.743
  511   2HB   LEU  62          2HB       LEU  62  -2.017   6.709   2.632
  512    HG   LEU  62           HG       LEU  62  -1.644   7.205   5.548
  513   1HD1  LEU  62          1HD1      LEU  62  -0.745   4.762   4.040
  514   2HD1  LEU  62          2HD1      LEU  62   0.262   5.430   5.326
  515   3HD1  LEU  62          3HD1      LEU  62  -1.376   4.883   5.681
  516   1HD2  LEU  62          1HD2      LEU  62  -0.202   7.560   2.967
  517   2HD2  LEU  62          2HD2      LEU  62  -0.289   8.634   4.362
  518   3HD2  LEU  62          3HD2      LEU  62   0.794   7.242   4.388
  519    H    MET  63           H        MET  63  -5.342   5.990   3.479
  520    HA   MET  63           HA       MET  63  -5.822   6.121   0.714
  521   1HB   MET  63          1HB       MET  63  -7.705   5.344   2.952
  522   2HB   MET  63          2HB       MET  63  -8.021   5.073   1.244
  523   1HG   MET  63          1HG       MET  63  -5.616   3.986   2.735
  524   2HG   MET  63          2HG       MET  63  -7.071   3.059   2.381
  525   1HE   MET  63          1HE       MET  63  -7.825   2.224   0.512
  526   2HE   MET  63          2HE       MET  63  -7.899   3.489  -0.713
  527   3HE   MET  63          3HE       MET  63  -7.006   1.996  -1.031
  528    H    GLN  64           H        GLN  64  -7.331   7.832   3.408
  529    HA   GLN  64           HA       GLN  64  -9.168   9.275   1.703
  530   1HB   GLN  64          1HB       GLN  64  -8.551   9.195   4.613
  531   2HB   GLN  64          2HB       GLN  64  -9.271  10.677   3.983
  532   1HG   GLN  64          1HG       GLN  64 -10.491   8.120   3.074
  533   2HG   GLN  64          2HG       GLN  64 -10.754   8.563   4.760
  534   2HE2  GLN  64          2HE2      GLN  64 -12.260   8.815   1.872
  535   1HE2  GLN  64          1HE2      GLN  64 -13.039  10.311   2.061
  536    H    GLN  65           H        GLN  65  -6.023   9.821   3.152
  537    HA   GLN  65           HA       GLN  65  -5.907  12.631   2.648
  538   1HB   GLN  65          1HB       GLN  65  -3.948  10.518   3.430
  539   2HB   GLN  65          2HB       GLN  65  -3.326  12.040   2.795
  540   1HG   GLN  65          1HG       GLN  65  -5.220  12.949   4.544
  541   2HG   GLN  65          2HG       GLN  65  -4.682  11.484   5.364
  542   2HE2  GLN  65          2HE2      GLN  65  -3.353  14.442   3.800
  543   1HE2  GLN  65          1HE2      GLN  65  -1.992  14.540   4.809
  544    H    LEU  66           H        LEU  66  -4.888   9.751   0.883
  545    HA   LEU  66           HA       LEU  66  -3.967  11.435  -1.355
  546   1HB   LEU  66          1HB       LEU  66  -3.723   8.448  -1.063
  547   2HB   LEU  66          2HB       LEU  66  -2.901   9.473  -2.220
  548    HG   LEU  66           HG       LEU  66  -2.452   9.582   0.772
  549   1HD1  LEU  66          1HD1      LEU  66  -1.763   7.418  -0.350
  550   2HD1  LEU  66          2HD1      LEU  66  -0.676   8.369  -1.362
  551   3HD1  LEU  66          3HD1      LEU  66  -0.437   8.318   0.385
  552   1HD2  LEU  66          1HD2      LEU  66  -1.956  11.533  -1.025
  553   2HD2  LEU  66          2HD2      LEU  66  -0.898  11.223   0.351
  554   3HD2  LEU  66          3HD2      LEU  66  -0.492  10.575  -1.238
  555    HA   PRO  67           HA       PRO  67  -7.658  10.395  -3.541
  556   1HB   PRO  67          1HB       PRO  67  -6.837  10.845  -6.117
  557   2HB   PRO  67          2HB       PRO  67  -7.209  12.133  -4.959
  558   1HG   PRO  67          1HG       PRO  67  -4.574  11.180  -5.931
  559   2HG   PRO  67          2HG       PRO  67  -5.049  12.782  -5.349
  560   1HD   PRO  67          1HD       PRO  67  -3.615  10.843  -3.878
  561   2HD   PRO  67          2HD       PRO  67  -4.392  12.298  -3.212
  562    H    VAL  68           H        VAL  68  -5.428   9.349  -6.095
  563    HA   VAL  68           HA       VAL  68  -5.197   6.655  -5.521
  564    HB   VAL  68           HB       VAL  68  -7.889   7.181  -5.985
  565   1HG1  VAL  68          1HG1      VAL  68  -6.755   5.962  -8.516
  566   2HG1  VAL  68          2HG1      VAL  68  -8.465   6.032  -8.091
  567   3HG1  VAL  68          3HG1      VAL  68  -7.570   7.521  -8.391
  568   1HG2  VAL  68          1HG2      VAL  68  -6.597   5.183  -4.969
  569   2HG2  VAL  68          2HG2      VAL  68  -8.153   4.865  -5.736
  570   3HG2  VAL  68          3HG2      VAL  68  -6.656   4.507  -6.598
  571    H    THR  69           H        THR  69  -3.914   5.662  -7.007
  572    HA   THR  69           HA       THR  69  -3.061   7.326  -9.268
  573    HB   THR  69           HB       THR  69  -1.262   6.567  -7.839
  574    HG1  THR  69           HG1      THR  69  -0.114   5.302  -9.421
  575   1HG2  THR  69          1HG2      THR  69  -2.749   4.007  -8.042
  576   2HG2  THR  69          2HG2      THR  69  -0.991   3.883  -8.032
  577   3HG2  THR  69          3HG2      THR  69  -1.826   4.670  -6.693
  578    H    ALA  70           H        ALA  70  -2.900   6.512 -11.376
  579    HA   ALA  70           HA       ALA  70  -5.005   4.751 -12.159
  580   1HB   ALA  70          1HB       ALA  70  -3.755   6.687 -13.476
  581   2HB   ALA  70          2HB       ALA  70  -2.741   5.348 -14.012
  582   3HB   ALA  70          3HB       ALA  70  -4.475   5.322 -14.329
  583    H    ARG  71           H        ARG  71  -4.113   3.113 -14.066
  584    HA   ARG  71           HA       ARG  71  -2.471   1.173 -12.563
  585   1HB   ARG  71          1HB       ARG  71  -4.322   0.702 -14.915
  586   2HB   ARG  71          2HB       ARG  71  -3.473  -0.539 -13.992
  587   1HG   ARG  71          1HG       ARG  71  -4.879  -0.357 -12.187
  588   2HG   ARG  71          2HG       ARG  71  -5.140   1.369 -12.433
  589   1HD   ARG  71          1HD       ARG  71  -6.197  -0.521 -14.492
  590   2HD   ARG  71          2HD       ARG  71  -7.055  -0.404 -12.960
  591    HE   ARG  71           HE       ARG  71  -6.488   2.170 -14.137
  592   1HH1  ARG  71          1HH1      ARG  71  -8.700  -0.544 -14.112
  593   2HH1  ARG  71          2HH1      ARG  71 -10.034   0.395 -14.688
  594   1HH2  ARG  71          1HH2      ARG  71  -8.253   3.355 -14.886
  595   2HH2  ARG  71          2HH2      ARG  71  -9.785   2.583 -15.123

  No H/Q in entry =         595
  Start of MODEL   26
    1    H1   LEU   1           H1       LEU   1   9.728  -5.877 -11.304
    2    H2   LEU   1           H2       LEU   1  10.071  -7.323 -10.481
    3    H3   LEU   1           H3       LEU   1   9.765  -5.897  -9.610
    4    HA   LEU   1           HA       LEU   1  11.802  -4.977 -10.082
    5   1HB   LEU   1          1HB       LEU   1  11.906  -7.942  -9.715
    6   2HB   LEU   1          2HB       LEU   1  13.415  -7.102 -10.074
    7    HG   LEU   1           HG       LEU   1  12.526  -5.442  -8.193
    8   1HD1  LEU   1          1HD1      LEU   1  11.041  -8.027  -7.775
    9   2HD1  LEU   1          2HD1      LEU   1  11.513  -7.042  -6.390
   10   3HD1  LEU   1          3HD1      LEU   1  10.448  -6.373  -7.627
   11   1HD2  LEU   1          1HD2      LEU   1  14.595  -7.012  -8.288
   12   2HD2  LEU   1          2HD2      LEU   1  14.022  -6.499  -6.702
   13   3HD2  LEU   1          3HD2      LEU   1  13.625  -8.108  -7.304
   14    H    GLY   2           H        GLY   2  11.004  -7.584 -12.331
   15   1HA   GLY   2          1HA       GLY   2  12.562  -8.021 -14.245
   16   2HA   GLY   2          2HA       GLY   2  12.716  -6.270 -14.361
   17    H    ALA   3           H        ALA   3  11.734  -8.276 -16.315
   18    HA   ALA   3           HA       ALA   3   9.276  -6.871 -17.048
   19   1HB   ALA   3          1HB       ALA   3  10.912  -8.918 -18.568
   20   2HB   ALA   3          2HB       ALA   3   9.523  -8.039 -19.208
   21   3HB   ALA   3          3HB       ALA   3  10.994  -7.169 -18.774
   22    H    SER   4           H        SER   4   7.329  -7.924 -17.540
   23    HA   SER   4           HA       SER   4   6.881 -10.702 -17.322
   24   1HB   SER   4          1HB       SER   4   7.408  -9.856 -14.858
   25   2HB   SER   4          2HB       SER   4   5.718  -9.362 -14.921
   26    HG   SER   4           HG       SER   4   5.883 -11.489 -14.180
   27    H    TRP   5           H        TRP   5   5.216 -10.901 -18.651
   28    HA   TRP   5           HA       TRP   5   2.956  -9.014 -18.381
   29   1HB   TRP   5          1HB       TRP   5   2.641  -9.188 -20.849
   30   2HB   TRP   5          2HB       TRP   5   4.142  -8.386 -20.393
   31    HD1  TRP   5           HD1      TRP   5   6.396  -9.989 -20.434
   32    HE1  TRP   5           HE1      TRP   5   6.993 -11.895 -22.066
   33    HE3  TRP   5           HE3      TRP   5   1.768 -11.010 -22.307
   34    HZ2  TRP   5           HZ2      TRP   5   5.671 -13.626 -23.927
   35    HZ3  TRP   5           HZ3      TRP   5   1.458 -12.788 -24.009
   36    HH2  TRP   5           HH2      TRP   5   3.403 -14.097 -24.821
   37    H    HIS   6           H        HIS   6   2.134 -10.733 -16.982
   38    HA   HIS   6           HA       HIS   6   0.236 -12.354 -18.295
   39   1HB   HIS   6          1HB       HIS   6   2.589 -13.563 -18.624
   40   2HB   HIS   6          2HB       HIS   6   2.238 -14.143 -16.996
   41    HD1  HIS   6           HD1      HIS   6   1.256 -16.425 -17.220
   42    HD2  HIS   6           HD2      HIS   6  -0.235 -13.824 -20.118
   43    HE1  HIS   6           HE1      HIS   6  -0.492 -17.721 -18.516
   44    H    ARG   7           H        ARG   7  -0.741 -13.993 -16.705
   45    HA   ARG   7           HA       ARG   7  -1.790 -14.364 -14.692
   46   1HB   ARG   7          1HB       ARG   7   0.791 -14.535 -14.088
   47   2HB   ARG   7          2HB       ARG   7   0.432 -13.066 -13.179
   48   1HG   ARG   7          1HG       ARG   7  -1.214 -14.156 -11.856
   49   2HG   ARG   7          2HG       ARG   7  -1.282 -15.542 -12.945
   50   1HD   ARG   7          1HD       ARG   7   0.088 -16.452 -11.348
   51   2HD   ARG   7          2HD       ARG   7   1.322 -15.652 -12.315
   52    HE   ARG   7           HE       ARG   7   1.661 -14.164 -10.563
   53   1HH1  ARG   7          1HH1      ARG   7  -1.352 -15.881 -10.084
   54   2HH1  ARG   7          2HH1      ARG   7  -1.586 -15.253  -8.489
   55   1HH2  ARG   7          1HH2      ARG   7   1.316 -13.370  -8.481
   56   2HH2  ARG   7          2HH2      ARG   7  -0.090 -13.844  -7.588
   57    HA   PRO   8           HA       PRO   8  -3.132  -9.993 -14.317
   58   1HB   PRO   8          1HB       PRO   8  -5.790 -10.476 -14.715
   59   2HB   PRO   8          2HB       PRO   8  -4.630 -10.225 -16.028
   60   1HG   PRO   8          1HG       PRO   8  -5.934 -12.723 -15.130
   61   2HG   PRO   8          2HG       PRO   8  -5.278 -12.301 -16.718
   62   1HD   PRO   8          1HD       PRO   8  -4.037 -13.937 -14.749
   63   2HD   PRO   8          2HD       PRO   8  -3.295 -13.324 -16.245
   64    H    ASP   9           H        ASP   9  -4.700  -8.962 -12.805
   65    HA   ASP   9           HA       ASP   9  -5.574  -8.676 -10.697
   66   1HB   ASP   9          1HB       ASP   9  -6.215 -11.618 -11.018
   67   2HB   ASP   9          2HB       ASP   9  -6.827 -10.594  -9.720
   68    H    LYS  10           H        LYS  10  -3.447  -8.250  -9.896
   69    HA   LYS  10           HA       LYS  10  -1.987 -10.443  -8.641
   70   1HB   LYS  10          1HB       LYS  10  -0.809  -8.579  -9.834
   71   2HB   LYS  10          2HB       LYS  10  -1.369  -7.482  -8.572
   72   1HG   LYS  10          1HG       LYS  10  -0.312  -9.422  -7.023
   73   2HG   LYS  10          2HG       LYS  10   0.706  -9.610  -8.451
   74   1HD   LYS  10          1HD       LYS  10   1.245  -7.198  -8.382
   75   2HD   LYS  10          2HD       LYS  10   0.245  -7.022  -6.939
   76   1HE   LYS  10          1HE       LYS  10   2.375  -9.117  -6.909
   77   2HE   LYS  10          2HE       LYS  10   2.873  -7.432  -6.755
   78   1HZ   LYS  10          1HZ       LYS  10   1.036  -7.306  -5.003
   79   2HZ   LYS  10          2HZ       LYS  10   1.105  -9.004  -4.991
   80   3HZ   LYS  10          3HZ       LYS  10   2.480  -8.092  -4.584
   81    H    CYS  11           H        CYS  11  -3.123 -11.150  -6.903
   82    HA   CYS  11           HA       CYS  11  -4.355  -9.352  -5.012
   83   1HB   CYS  11          1HB       CYS  11  -3.756 -12.297  -4.646
   84   2HB   CYS  11          2HB       CYS  11  -4.940 -11.332  -3.769
   85    H    CYS  12           H        CYS  12  -3.748 -10.292  -2.557
   86    HA   CYS  12           HA       CYS  12  -0.829 -10.140  -2.250
   87   1HB   CYS  12          1HB       CYS  12  -2.156  -7.842  -2.014
   88   2HB   CYS  12          2HB       CYS  12  -2.471  -8.475  -0.399
   89    H    LEU  13           H        LEU  13  -0.088 -10.795  -0.138
   90    HA   LEU  13           HA       LEU  13  -2.074 -12.352   1.405
   91   1HB   LEU  13          1HB       LEU  13   0.557 -13.220   0.290
   92   2HB   LEU  13          2HB       LEU  13  -0.022 -13.923   1.784
   93    HG   LEU  13           HG       LEU  13  -0.605 -15.372  -0.063
   94   1HD1  LEU  13          1HD1      LEU  13  -2.264 -14.877   1.848
   95   2HD1  LEU  13          2HD1      LEU  13  -3.150 -13.916   0.664
   96   3HD1  LEU  13          3HD1      LEU  13  -2.915 -15.644   0.400
   97   1HD2  LEU  13          1HD2      LEU  13  -0.721 -13.141  -1.587
   98   2HD2  LEU  13          2HD2      LEU  13  -1.493 -14.655  -2.057
   99   3HD2  LEU  13          3HD2      LEU  13  -2.444 -13.381  -1.295
  100    H    GLY  14           H        GLY  14  -0.363  -9.714   1.669
  101   1HA   GLY  14          1HA       GLY  14   1.546  -9.728   3.568
  102   2HA   GLY  14          2HA       GLY  14   0.096 -10.051   4.516
  103    H    TYR  15           H        TYR  15   1.412  -7.825   5.160
  104    HA   TYR  15           HA       TYR  15   0.408  -5.539   3.670
  105   1HB   TYR  15          1HB       TYR  15  -0.570  -6.136   6.474
  106   2HB   TYR  15          2HB       TYR  15  -0.783  -4.595   5.644
  107    HD1  TYR  15           HD1      TYR  15  -1.860  -4.720   3.260
  108    HD2  TYR  15           HD2      TYR  15  -2.197  -7.806   6.220
  109    HE1  TYR  15           HE1      TYR  15  -3.865  -5.596   2.107
  110    HE2  TYR  15           HE2      TYR  15  -4.207  -8.692   5.066
  111    HH   TYR  15           HH       TYR  15  -5.891  -6.963   2.727
  112    H    GLN  16           H        GLN  16   0.998  -3.462   4.877
  113    HA   GLN  16           HA       GLN  16   3.771  -3.409   5.331
  114   1HB   GLN  16          1HB       GLN  16   2.427  -1.425   4.651
  115   2HB   GLN  16          2HB       GLN  16   1.721  -1.386   6.259
  116   1HG   GLN  16          1HG       GLN  16   3.575   0.209   6.125
  117   2HG   GLN  16          2HG       GLN  16   3.985  -1.098   7.235
  118   2HE2  GLN  16          2HE2      GLN  16   5.494  -2.788   6.416
  119   1HE2  GLN  16          1HE2      GLN  16   6.550  -2.427   5.137
  120    H    LYS  17           H        LYS  17   1.051  -3.375   7.597
  121    HA   LYS  17           HA       LYS  17   0.925  -3.814   9.851
  122   1HB   LYS  17          1HB       LYS  17   2.274  -5.872   8.942
  123   2HB   LYS  17          2HB       LYS  17   3.628  -5.108   9.775
  124   1HG   LYS  17          1HG       LYS  17   2.336  -5.068  11.869
  125   2HG   LYS  17          2HG       LYS  17   0.965  -5.811  11.044
  126   1HD   LYS  17          1HD       LYS  17   2.335  -7.794  10.534
  127   2HD   LYS  17          2HD       LYS  17   3.715  -7.055  11.345
  128   1HE   LYS  17          1HE       LYS  17   2.666  -8.570  12.911
  129   2HE   LYS  17          2HE       LYS  17   2.317  -6.923  13.438
  130   1HZ   LYS  17          1HZ       LYS  17   0.472  -8.426  11.682
  131   2HZ   LYS  17          2HZ       LYS  17   0.392  -8.545  13.376
  132   3HZ   LYS  17          3HZ       LYS  17   0.150  -7.046  12.614
  133    H    ARG  18           H        ARG  18   2.496  -1.441   8.728
  134    HA   ARG  18           HA       ARG  18   3.422  -0.472  11.281
  135   1HB   ARG  18          1HB       ARG  18   5.350  -1.082   9.052
  136   2HB   ARG  18          2HB       ARG  18   5.675   0.218  10.200
  137   1HG   ARG  18          1HG       ARG  18   5.142  -1.578  12.016
  138   2HG   ARG  18          2HG       ARG  18   5.434  -2.737  10.719
  139   1HD   ARG  18          1HD       ARG  18   7.654  -1.723  10.323
  140   2HD   ARG  18          2HD       ARG  18   7.364  -0.588  11.637
  141    HE   ARG  18           HE       ARG  18   7.865  -2.282  13.142
  142   1HH1  ARG  18          1HH1      ARG  18   7.236  -3.665   9.988
  143   2HH1  ARG  18          2HH1      ARG  18   7.728  -5.254  10.462
  144   1HH2  ARG  18          1HH2      ARG  18   8.498  -4.369  13.718
  145   2HH2  ARG  18          2HH2      ARG  18   8.436  -5.651  12.554
  146    HA   PRO  19           HA       PRO  19   1.982   3.121   9.051
  147   1HB   PRO  19          1HB       PRO  19   2.328   4.966  11.034
  148   2HB   PRO  19          2HB       PRO  19   1.007   3.788  11.003
  149   1HG   PRO  19          1HG       PRO  19   3.399   3.865  12.725
  150   2HG   PRO  19          2HG       PRO  19   1.845   3.063  12.990
  151   1HD   PRO  19          1HD       PRO  19   4.292   1.852  12.126
  152   2HD   PRO  19          2HD       PRO  19   2.697   1.077  12.277
  153    H    LEU  20           H        LEU  20   3.024   4.251   7.537
  154    HA   LEU  20           HA       LEU  20   5.768   5.206   8.096
  155   1HB   LEU  20          1HB       LEU  20   4.815   5.304   5.313
  156   2HB   LEU  20          2HB       LEU  20   6.352   4.776   5.956
  157    HG   LEU  20           HG       LEU  20   3.802   3.149   5.801
  158   1HD1  LEU  20          1HD1      LEU  20   5.162   3.552   3.691
  159   2HD1  LEU  20          2HD1      LEU  20   6.489   2.699   4.479
  160   3HD1  LEU  20          3HD1      LEU  20   4.975   1.859   4.149
  161   1HD2  LEU  20          1HD2      LEU  20   5.548   2.873   7.804
  162   2HD2  LEU  20          2HD2      LEU  20   4.826   1.471   7.019
  163   3HD2  LEU  20          3HD2      LEU  20   6.450   1.992   6.573
  164    HA   PRO  21           HA       PRO  21   4.444   9.381   7.504
  165   1HB   PRO  21          1HB       PRO  21   6.427  10.511   5.990
  166   2HB   PRO  21          2HB       PRO  21   6.620  10.054   7.692
  167   1HG   PRO  21          1HG       PRO  21   7.710   8.759   5.271
  168   2HG   PRO  21          2HG       PRO  21   8.296   8.704   6.938
  169   1HD   PRO  21          1HD       PRO  21   6.801   6.685   5.584
  170   2HD   PRO  21          2HD       PRO  21   7.234   6.719   7.309
  171    H    GLN  22           H        GLN  22   2.920  10.360   6.310
  172    HA   GLN  22           HA       GLN  22   2.129   9.462   3.757
  173   1HB   GLN  22          1HB       GLN  22   0.658  10.679   5.387
  174   2HB   GLN  22          2HB       GLN  22   1.520  12.164   4.980
  175   1HG   GLN  22          1HG       GLN  22   0.538  10.602   2.662
  176   2HG   GLN  22          2HG       GLN  22  -0.718  11.311   3.677
  177   2HE2  GLN  22          2HE2      GLN  22  -1.180  12.814   1.836
  178   1HE2  GLN  22          1HE2      GLN  22  -0.178  14.161   1.588
  179    H    VAL  23           H        VAL  23   4.313  11.983   4.804
  180    HA   VAL  23           HA       VAL  23   4.526  13.432   2.402
  181    HB   VAL  23           HB       VAL  23   5.413  14.347   4.458
  182   1HG1  VAL  23          1HG1      VAL  23   7.102  11.848   4.454
  183   2HG1  VAL  23          2HG1      VAL  23   7.550  13.269   5.395
  184   3HG1  VAL  23          3HG1      VAL  23   6.026  12.443   5.718
  185   1HG2  VAL  23          1HG2      VAL  23   6.640  14.744   2.204
  186   2HG2  VAL  23          2HG2      VAL  23   7.471  15.196   3.692
  187   3HG2  VAL  23          3HG2      VAL  23   7.889  13.692   2.870
  188    H    LEU  24           H        LEU  24   5.987  10.446   3.487
  189    HA   LEU  24           HA       LEU  24   7.915  10.278   1.362
  190   1HB   LEU  24          1HB       LEU  24   8.506   9.041   3.241
  191   2HB   LEU  24          2HB       LEU  24   6.880   8.466   3.503
  192    HG   LEU  24           HG       LEU  24   8.680   6.774   2.780
  193   1HD1  LEU  24          1HD1      LEU  24   6.009   6.743   2.628
  194   2HD1  LEU  24          2HD1      LEU  24   6.365   6.648   0.902
  195   3HD1  LEU  24          3HD1      LEU  24   6.992   5.419   2.000
  196   1HD2  LEU  24          1HD2      LEU  24   9.056   8.559   0.703
  197   2HD2  LEU  24          2HD2      LEU  24   9.578   6.875   0.692
  198   3HD2  LEU  24          3HD2      LEU  24   8.041   7.324  -0.045
  199    H    LEU  25           H        LEU  25   4.753   8.862   2.027
  200    HA   LEU  25           HA       LEU  25   4.585   7.320  -0.350
  201   1HB   LEU  25          1HB       LEU  25   3.163   7.408   1.936
  202   2HB   LEU  25          2HB       LEU  25   2.092   8.312   0.891
  203    HG   LEU  25           HG       LEU  25   1.813   6.425  -0.574
  204   1HD1  LEU  25          1HD1      LEU  25   4.257   5.485   0.816
  205   2HD1  LEU  25          2HD1      LEU  25   3.059   4.239   0.462
  206   3HD1  LEU  25          3HD1      LEU  25   3.731   5.213  -0.845
  207   1HD2  LEU  25          1HD2      LEU  25   1.563   6.002   2.377
  208   2HD2  LEU  25          2HD2      LEU  25   0.300   6.114   1.150
  209   3HD2  LEU  25          3HD2      LEU  25   1.242   4.632   1.314
  210    H    SER  26           H        SER  26   2.635   7.681  -1.873
  211    HA   SER  26           HA       SER  26   2.411  10.528  -2.618
  212   1HB   SER  26          1HB       SER  26   4.126   8.982  -3.973
  213   2HB   SER  26          2HB       SER  26   2.647   8.546  -4.825
  214    HG   SER  26           HG       SER  26   2.772  10.404  -5.779
  215    H    SER  27           H        SER  27   1.335   7.365  -3.891
  216    HA   SER  27           HA       SER  27  -1.463   8.159  -3.438
  217   1HB   SER  27          1HB       SER  27  -2.068   7.471  -5.745
  218   2HB   SER  27          2HB       SER  27  -1.010   8.878  -5.725
  219    HG   SER  27           HG       SER  27   0.619   7.682  -6.462
  220    H    TRP  28           H        TRP  28  -2.838   6.162  -4.464
  221    HA   TRP  28           HA       TRP  28  -1.555   3.609  -3.800
  222   1HB   TRP  28          1HB       TRP  28  -3.479   2.989  -2.319
  223   2HB   TRP  28          2HB       TRP  28  -2.456   4.261  -1.654
  224    HD1  TRP  28           HD1      TRP  28  -3.401   6.768  -1.715
  225    HE1  TRP  28           HE1      TRP  28  -5.814   7.673  -1.803
  226    HE3  TRP  28           HE3      TRP  28  -5.879   2.553  -3.212
  227    HZ2  TRP  28           HZ2      TRP  28  -8.441   6.731  -2.427
  228    HZ3  TRP  28           HZ3      TRP  28  -8.329   2.591  -3.548
  229    HH2  TRP  28           HH2      TRP  28  -9.614   4.673  -3.157
  230    H    TYR  29           H        TYR  29  -2.541   1.816  -4.736
  231    HA   TYR  29           HA       TYR  29  -4.855   2.400  -6.473
  232   1HB   TYR  29          1HB       TYR  29  -3.942   1.230  -8.302
  233   2HB   TYR  29          2HB       TYR  29  -2.608   2.202  -7.700
  234    HD1  TYR  29           HD1      TYR  29  -4.040  -1.210  -7.831
  235    HD2  TYR  29           HD2      TYR  29  -0.629   1.168  -6.755
  236    HE1  TYR  29           HE1      TYR  29  -2.680  -3.270  -7.589
  237    HE2  TYR  29           HE2      TYR  29   0.729  -0.890  -6.512
  238    HH   TYR  29           HH       TYR  29  -0.050  -3.551  -5.963
  239    HA   PRO  30           HA       PRO  30  -6.490  -1.161  -4.381
  240   1HB   PRO  30          1HB       PRO  30  -8.760  -1.496  -5.862
  241   2HB   PRO  30          2HB       PRO  30  -8.550  -0.210  -4.663
  242   1HG   PRO  30          1HG       PRO  30  -8.561  -0.040  -7.614
  243   2HG   PRO  30          2HG       PRO  30  -8.931   1.204  -6.412
  244   1HD   PRO  30          1HD       PRO  30  -6.503   0.914  -7.877
  245   2HD   PRO  30          2HD       PRO  30  -6.812   2.036  -6.530
  246    H    THR  31           H        THR  31  -6.730  -3.407  -4.586
  247    HA   THR  31           HA       THR  31  -5.849  -4.531  -7.177
  248    HB   THR  31           HB       THR  31  -4.253  -4.908  -5.333
  249    HG1  THR  31           HG1      THR  31  -4.445  -6.513  -6.888
  250   1HG2  THR  31          1HG2      THR  31  -6.713  -5.585  -3.905
  251   2HG2  THR  31          2HG2      THR  31  -5.471  -6.825  -3.730
  252   3HG2  THR  31          3HG2      THR  31  -5.125  -5.159  -3.267
  253    H    SER  32           H        SER  32  -6.480  -7.151  -6.850
  254    HA   SER  32           HA       SER  32  -9.221  -7.251  -7.490
  255   1HB   SER  32          1HB       SER  32  -7.107  -9.272  -6.921
  256   2HB   SER  32          2HB       SER  32  -8.784  -9.805  -6.869
  257    HG   SER  32           HG       SER  32  -7.424  -8.518  -9.002
  258    H    GLN  33           H        GLN  33 -10.908  -8.446  -6.348
  259    HA   GLN  33           HA       GLN  33 -10.745  -7.985  -3.431
  260   1HB   GLN  33          1HB       GLN  33 -12.532  -6.845  -5.019
  261   2HB   GLN  33          2HB       GLN  33 -13.355  -8.394  -4.828
  262   1HG   GLN  33          1HG       GLN  33 -12.984  -8.102  -2.306
  263   2HG   GLN  33          2HG       GLN  33 -12.565  -6.428  -2.673
  264   2HE2  GLN  33          2HE2      GLN  33 -15.012  -7.650  -1.269
  265   1HE2  GLN  33          1HE2      GLN  33 -16.336  -6.984  -2.100
  266    H    LEU  34           H        LEU  34 -11.494 -10.313  -5.935
  267    HA   LEU  34           HA       LEU  34 -12.451 -12.297  -4.035
  268   1HB   LEU  34          1HB       LEU  34 -11.865 -12.532  -6.987
  269   2HB   LEU  34          2HB       LEU  34 -12.621 -13.765  -6.003
  270    HG   LEU  34           HG       LEU  34 -14.364 -12.704  -7.225
  271   1HD1  LEU  34          1HD1      LEU  34 -14.653 -13.021  -4.683
  272   2HD1  LEU  34          2HD1      LEU  34 -14.454 -11.273  -4.567
  273   3HD1  LEU  34          3HD1      LEU  34 -15.794 -11.949  -5.492
  274   1HD2  LEU  34          1HD2      LEU  34 -12.801 -10.602  -7.553
  275   2HD2  LEU  34          2HD2      LEU  34 -14.553 -10.415  -7.615
  276   3HD2  LEU  34          3HD2      LEU  34 -13.672  -9.990  -6.147
  277    H    CYS  35           H        CYS  35 -10.143 -11.758  -3.032
  278    HA   CYS  35           HA       CYS  35  -8.345 -13.927  -3.941
  279   1HB   CYS  35          1HB       CYS  35  -7.432 -11.305  -2.735
  280   2HB   CYS  35          2HB       CYS  35  -6.412 -12.597  -3.367
  281    H    SER  36           H        SER  36  -6.782 -14.553  -2.147
  282    HA   SER  36           HA       SER  36  -8.246 -15.421   0.108
  283   1HB   SER  36          1HB       SER  36  -6.070 -16.401  -0.875
  284   2HB   SER  36          2HB       SER  36  -5.245 -15.170   0.076
  285    HG   SER  36           HG       SER  36  -5.934 -17.459   0.944
  286    H    LYS  37           H        LYS  37  -5.977 -12.763  -0.377
  287    HA   LYS  37           HA       LYS  37  -7.062 -11.431   1.998
  288   1HB   LYS  37          1HB       LYS  37  -4.169 -12.180   1.606
  289   2HB   LYS  37          2HB       LYS  37  -4.630 -10.791   2.591
  290   1HG   LYS  37          1HG       LYS  37  -5.867 -13.511   3.024
  291   2HG   LYS  37          2HG       LYS  37  -4.355 -13.047   3.808
  292   1HD   LYS  37          1HD       LYS  37  -6.750 -11.232   3.962
  293   2HD   LYS  37          2HD       LYS  37  -6.608 -12.607   5.059
  294   1HE   LYS  37          1HE       LYS  37  -4.611 -11.780   6.023
  295   2HE   LYS  37          2HE       LYS  37  -4.339 -10.652   4.695
  296   1HZ   LYS  37          1HZ       LYS  37  -6.609 -10.500   6.602
  297   2HZ   LYS  37          2HZ       LYS  37  -5.192  -9.569   6.710
  298   3HZ   LYS  37          3HZ       LYS  37  -6.234  -9.377   5.384
  299    HA   PRO  38           HA       PRO  38  -6.309  -8.570  -1.543
  300   1HB   PRO  38          1HB       PRO  38  -8.823  -7.509  -1.631
  301   2HB   PRO  38          2HB       PRO  38  -8.347  -8.981  -2.489
  302   1HG   PRO  38          1HG       PRO  38 -10.022  -8.678  -0.070
  303   2HG   PRO  38          2HG       PRO  38 -10.000  -9.978  -1.271
  304   1HD   PRO  38          1HD       PRO  38  -8.809 -10.031   1.314
  305   2HD   PRO  38          2HD       PRO  38  -8.607 -11.238   0.023
  306    H    GLY  39           H        GLY  39  -6.523  -6.182  -1.658
  307   1HA   GLY  39          1HA       GLY  39  -5.693  -4.918   0.732
  308   2HA   GLY  39          2HA       GLY  39  -7.386  -4.531   0.432
  309    H    VAL  40           H        VAL  40  -4.783  -2.945   0.296
  310    HA   VAL  40           HA       VAL  40  -4.867  -2.113  -2.528
  311    HB   VAL  40           HB       VAL  40  -5.009  -0.137  -0.242
  312   1HG1  VAL  40          1HG1      VAL  40  -4.003   0.269  -2.697
  313   2HG1  VAL  40          2HG1      VAL  40  -5.712   0.519  -3.050
  314   3HG1  VAL  40          3HG1      VAL  40  -4.910   1.503  -1.826
  315   1HG2  VAL  40          1HG2      VAL  40  -7.098  -1.560  -0.606
  316   2HG2  VAL  40          2HG2      VAL  40  -7.317   0.181  -0.767
  317   3HG2  VAL  40          3HG2      VAL  40  -7.197  -0.829  -2.207
  318    H    ILE  41           H        ILE  41  -2.963  -1.471  -3.347
  319    HA   ILE  41           HA       ILE  41  -0.624  -1.658  -1.575
  320    HB   ILE  41           HB       ILE  41  -0.946  -1.871  -4.575
  321   1HG1  ILE  41          1HG1      ILE  41   0.175  -4.122  -4.003
  322   2HG1  ILE  41          2HG1      ILE  41  -0.228  -3.744  -2.327
  323   1HG2  ILE  41          1HG2      ILE  41   1.517  -1.481  -2.905
  324   2HG2  ILE  41          2HG2      ILE  41   1.601  -2.545  -4.309
  325   3HG2  ILE  41          3HG2      ILE  41   1.149  -0.851  -4.511
  326   1HD1  ILE  41          1HD1      ILE  41  -2.379  -3.486  -4.392
  327   2HD1  ILE  41          2HD1      ILE  41  -1.923  -5.103  -3.857
  328   3HD1  ILE  41          3HD1      ILE  41  -2.509  -3.919  -2.689
  329    H    PHE  42           H        PHE  42   0.614   0.059  -1.139
  330    HA   PHE  42           HA       PHE  42  -0.210   2.657  -2.224
  331   1HB   PHE  42          1HB       PHE  42   1.482   1.824   0.130
  332   2HB   PHE  42          2HB       PHE  42   1.446   3.491  -0.445
  333    HD1  PHE  42           HD1      PHE  42  -0.553   0.759   1.032
  334    HD2  PHE  42           HD2      PHE  42  -0.517   4.874  -0.188
  335    HE1  PHE  42           HE1      PHE  42  -2.679   1.138   2.250
  336    HE2  PHE  42           HE2      PHE  42  -2.644   5.255   1.026
  337    HZ   PHE  42           HZ       PHE  42  -3.723   3.388   2.250
  338    H    LEU  43           H        LEU  43   1.062   3.909  -3.479
  339    HA   LEU  43           HA       LEU  43   3.643   2.750  -4.336
  340   1HB   LEU  43          1HB       LEU  43   2.152   4.901  -5.805
  341   2HB   LEU  43          2HB       LEU  43   3.392   3.829  -6.411
  342    HG   LEU  43           HG       LEU  43   1.367   3.111  -7.401
  343   1HD1  LEU  43          1HD1      LEU  43   2.845   1.415  -5.860
  344   2HD1  LEU  43          2HD1      LEU  43   1.238   1.160  -5.180
  345   3HD1  LEU  43          3HD1      LEU  43   1.521   0.896  -6.901
  346   1HD2  LEU  43          1HD2      LEU  43   0.076   4.352  -5.410
  347   2HD2  LEU  43          2HD2      LEU  43  -0.707   3.115  -6.392
  348   3HD2  LEU  43          3HD2      LEU  43  -0.055   2.700  -4.807
  349    H    THR  44           H        THR  44   5.153   3.639  -2.998
  350    HA   THR  44           HA       THR  44   5.006   6.269  -1.950
  351    HB   THR  44           HB       THR  44   7.326   5.933  -1.285
  352    HG1  THR  44           HG1      THR  44   7.160   3.723  -3.051
  353   1HG2  THR  44          1HG2      THR  44   5.359   3.697  -1.012
  354   2HG2  THR  44          2HG2      THR  44   6.998   3.444  -0.413
  355   3HG2  THR  44          3HG2      THR  44   6.020   4.765   0.225
  356    H    LYS  45           H        LYS  45   6.639   7.984  -2.415
  357    HA   LYS  45           HA       LYS  45   6.449   8.875  -5.069
  358   1HB   LYS  45          1HB       LYS  45   8.382   9.677  -2.883
  359   2HB   LYS  45          2HB       LYS  45   8.201  10.538  -4.412
  360   1HG   LYS  45          1HG       LYS  45   6.164  11.415  -3.836
  361   2HG   LYS  45          2HG       LYS  45   5.694   9.987  -2.913
  362   1HD   LYS  45          1HD       LYS  45   6.039  11.466  -1.171
  363   2HD   LYS  45          2HD       LYS  45   7.670  10.811  -1.324
  364   1HE   LYS  45          1HE       LYS  45   8.097  13.103  -1.351
  365   2HE   LYS  45          2HE       LYS  45   7.973  12.755  -3.075
  366   1HZ   LYS  45          1HZ       LYS  45   5.521  13.290  -2.789
  367   2HZ   LYS  45          2HZ       LYS  45   5.956  13.983  -1.300
  368   3HZ   LYS  45          3HZ       LYS  45   6.608  14.596  -2.740
  369    H    ARG  46           H        ARG  46   9.321   7.651  -3.345
  370    HA   ARG  46           HA       ARG  46  10.380   6.717  -5.944
  371   1HB   ARG  46          1HB       ARG  46  11.491   8.829  -5.130
  372   2HB   ARG  46          2HB       ARG  46  12.060   7.902  -3.741
  373   1HG   ARG  46          1HG       ARG  46  13.429   6.521  -5.059
  374   2HG   ARG  46          2HG       ARG  46  12.544   6.899  -6.538
  375   1HD   ARG  46          1HD       ARG  46  13.522   9.033  -6.722
  376   2HD   ARG  46          2HD       ARG  46  14.021   9.049  -5.034
  377    HE   ARG  46           HE       ARG  46  15.943   7.900  -5.645
  378   1HH1  ARG  46          1HH1      ARG  46  13.588   7.702  -8.228
  379   2HH1  ARG  46          2HH1      ARG  46  14.696   6.967  -9.335
  380   1HH2  ARG  46          1HH2      ARG  46  17.355   6.941  -7.119
  381   2HH2  ARG  46          2HH2      ARG  46  16.810   6.539  -8.713
  382    H    GLY  47           H        GLY  47   9.312   5.720  -2.986
  383   1HA   GLY  47          1HA       GLY  47   9.816   3.969  -1.563
  384   2HA   GLY  47          2HA       GLY  47  11.412   3.876  -2.298
  385    H    ARG  48           H        ARG  48   8.418   2.395  -2.001
  386    HA   ARG  48           HA       ARG  48   8.486   0.989  -4.554
  387   1HB   ARG  48          1HB       ARG  48   9.603  -0.141  -2.071
  388   2HB   ARG  48          2HB       ARG  48   8.442  -1.190  -2.882
  389   1HG   ARG  48          1HG       ARG  48   9.705  -0.937  -4.998
  390   2HG   ARG  48          2HG       ARG  48  10.879   0.081  -4.165
  391   1HD   ARG  48          1HD       ARG  48  11.740  -2.188  -4.287
  392   2HD   ARG  48          2HD       ARG  48  11.368  -1.806  -2.614
  393    HE   ARG  48           HE       ARG  48   9.966  -3.713  -4.330
  394   1HH1  ARG  48          1HH1      ARG  48   9.993  -1.940  -1.302
  395   2HH1  ARG  48          2HH1      ARG  48   8.881  -3.017  -0.540
  396   1HH2  ARG  48          1HH2      ARG  48   8.520  -5.081  -3.287
  397   2HH2  ARG  48          2HH2      ARG  48   8.053  -4.777  -1.648
  398    H    GLN  49           H        GLN  49   6.898  -1.109  -4.090
  399    HA   GLN  49           HA       GLN  49   4.352   0.141  -3.414
  400   1HB   GLN  49          1HB       GLN  49   5.200  -2.356  -4.820
  401   2HB   GLN  49          2HB       GLN  49   3.592  -2.301  -4.100
  402   1HG   GLN  49          1HG       GLN  49   2.835  -0.716  -5.573
  403   2HG   GLN  49          2HG       GLN  49   4.407   0.074  -5.692
  404   2HE2  GLN  49          2HE2      GLN  49   6.102  -1.894  -6.573
  405   1HE2  GLN  49          1HE2      GLN  49   5.573  -2.532  -8.055
  406    H    VAL  50           H        VAL  50   2.941  -0.621  -1.807
  407    HA   VAL  50           HA       VAL  50   3.940  -2.701   0.015
  408    HB   VAL  50           HB       VAL  50   3.078   0.028   0.996
  409   1HG1  VAL  50          1HG1      VAL  50   2.721  -2.122   2.410
  410   2HG1  VAL  50          2HG1      VAL  50   4.477  -2.137   2.561
  411   3HG1  VAL  50          3HG1      VAL  50   3.552  -0.763   3.164
  412   1HG2  VAL  50          1HG2      VAL  50   5.829  -1.229   0.798
  413   2HG2  VAL  50          2HG2      VAL  50   5.259   0.183  -0.092
  414   3HG2  VAL  50          3HG2      VAL  50   5.468   0.267   1.657
  415    H    CYS  51           H        CYS  51   2.360  -4.039   0.553
  416    HA   CYS  51           HA       CYS  51  -0.381  -3.512  -0.169
  417   1HB   CYS  51          1HB       CYS  51   1.126  -5.783   1.054
  418   2HB   CYS  51          2HB       CYS  51  -0.615  -5.713   1.320
  419    H    ALA  52           H        ALA  52  -2.009  -2.772   1.137
  420    HA   ALA  52           HA       ALA  52  -1.732  -2.869   4.026
  421   1HB   ALA  52          1HB       ALA  52  -0.586  -0.875   3.971
  422   2HB   ALA  52          2HB       ALA  52  -2.243  -0.274   4.007
  423   3HB   ALA  52          3HB       ALA  52  -1.364  -0.346   2.480
  424    H    ASP  53           H        ASP  53  -3.651  -3.223   4.879
  425    HA   ASP  53           HA       ASP  53  -6.042  -3.011   3.263
  426   1HB   ASP  53          1HB       ASP  53  -5.312  -4.173   5.889
  427   2HB   ASP  53          2HB       ASP  53  -6.967  -3.583   5.760
  428    H    LYS  54           H        LYS  54  -7.246  -1.243   3.092
  429    HA   LYS  54           HA       LYS  54  -6.726   1.176   4.396
  430   1HB   LYS  54          1HB       LYS  54  -8.998   1.864   3.588
  431   2HB   LYS  54          2HB       LYS  54  -7.978   1.162   2.332
  432   1HG   LYS  54          1HG       LYS  54  -9.209  -0.802   2.234
  433   2HG   LYS  54          2HG       LYS  54  -9.772  -0.654   3.899
  434   1HD   LYS  54          1HD       LYS  54 -10.960   1.523   2.942
  435   2HD   LYS  54          2HD       LYS  54 -10.830   0.643   1.419
  436   1HE   LYS  54          1HE       LYS  54 -12.304  -0.991   2.077
  437   2HE   LYS  54          2HE       LYS  54 -11.816  -0.895   3.769
  438   1HZ   LYS  54          1HZ       LYS  54 -13.241   1.354   2.511
  439   2HZ   LYS  54          2HZ       LYS  54 -14.109   0.009   3.070
  440   3HZ   LYS  54          3HZ       LYS  54 -13.162   0.917   4.151
  441    H    SER  55           H        SER  55  -8.628  -1.560   5.412
  442    HA   SER  55           HA       SER  55 -10.348  -0.368   7.268
  443   1HB   SER  55          1HB       SER  55  -9.859  -2.700   8.494
  444   2HB   SER  55          2HB       SER  55 -10.867  -2.582   7.056
  445    HG   SER  55           HG       SER  55  -8.485  -3.807   7.399
  446    H    LYS  56           H        LYS  56  -6.912  -0.888   7.393
  447    HA   LYS  56           HA       LYS  56  -6.461  -0.884  10.160
  448   1HB   LYS  56          1HB       LYS  56  -4.869  -0.260   7.741
  449   2HB   LYS  56          2HB       LYS  56  -4.285   0.457   9.242
  450   1HG   LYS  56          1HG       LYS  56  -5.100  -2.387   9.430
  451   2HG   LYS  56          2HG       LYS  56  -3.675  -2.074   8.440
  452   1HD   LYS  56          1HD       LYS  56  -2.574  -2.151  10.436
  453   2HD   LYS  56          2HD       LYS  56  -3.142  -0.490  10.594
  454   1HE   LYS  56          1HE       LYS  56  -4.014  -1.274  12.559
  455   2HE   LYS  56          2HE       LYS  56  -5.323  -1.814  11.509
  456   1HZ   LYS  56          1HZ       LYS  56  -4.169  -3.945  11.273
  457   2HZ   LYS  56          2HZ       LYS  56  -2.975  -3.420  12.360
  458   3HZ   LYS  56          3HZ       LYS  56  -4.573  -3.619  12.891
  459    H    ASP  57           H        ASP  57  -4.975   1.170  10.961
  460    HA   ASP  57           HA       ASP  57  -6.920   3.363  11.072
  461   1HB   ASP  57          1HB       ASP  57  -4.534   2.633  12.767
  462   2HB   ASP  57          2HB       ASP  57  -5.360   4.184  12.922
  463    H    TRP  58           H        TRP  58  -3.350   3.176  10.978
  464    HA   TRP  58           HA       TRP  58  -3.041   5.809  10.004
  465   1HB   TRP  58          1HB       TRP  58  -0.718   5.181   9.512
  466   2HB   TRP  58          2HB       TRP  58  -1.204   4.634  11.112
  467    HD1  TRP  58           HD1      TRP  58  -1.624   2.004  11.444
  468    HE1  TRP  58           HE1      TRP  58  -0.714  -0.029  10.144
  469    HE3  TRP  58           HE3      TRP  58  -0.052   4.317   7.177
  470    HZ2  TRP  58           HZ2      TRP  58   0.523  -0.598   7.609
  471    HZ3  TRP  58           HZ3      TRP  58   0.989   3.016   5.347
  472    HH2  TRP  58           HH2      TRP  58   1.277   0.569   5.557
  473    H    VAL  59           H        VAL  59  -3.618   2.767   8.404
  474    HA   VAL  59           HA       VAL  59  -2.893   3.680   5.779
  475    HB   VAL  59           HB       VAL  59  -4.654   1.351   6.582
  476   1HG1  VAL  59          1HG1      VAL  59  -4.862   2.041   4.206
  477   2HG1  VAL  59          2HG1      VAL  59  -3.110   1.928   4.034
  478   3HG1  VAL  59          3HG1      VAL  59  -4.060   0.477   4.358
  479   1HG2  VAL  59          1HG2      VAL  59  -1.670   1.634   6.154
  480   2HG2  VAL  59          2HG2      VAL  59  -2.498   1.087   7.613
  481   3HG2  VAL  59          3HG2      VAL  59  -2.493   0.075   6.167
  482    H    LYS  60           H        LYS  60  -5.792   3.677   7.748
  483    HA   LYS  60           HA       LYS  60  -7.655   4.235   5.682
  484   1HB   LYS  60          1HB       LYS  60  -8.253   3.510   8.018
  485   2HB   LYS  60          2HB       LYS  60  -7.826   5.131   8.569
  486   1HG   LYS  60          1HG       LYS  60  -9.647   6.114   7.542
  487   2HG   LYS  60          2HG       LYS  60  -9.716   4.898   6.266
  488   1HD   LYS  60          1HD       LYS  60 -10.675   3.271   7.769
  489   2HD   LYS  60          2HD       LYS  60 -10.413   4.326   9.159
  490   1HE   LYS  60          1HE       LYS  60 -11.950   6.004   8.112
  491   2HE   LYS  60          2HE       LYS  60 -12.289   4.837   6.832
  492   1HZ   LYS  60          1HZ       LYS  60 -12.651   4.191   9.698
  493   2HZ   LYS  60          2HZ       LYS  60 -13.886   4.887   8.768
  494   3HZ   LYS  60          3HZ       LYS  60 -13.264   3.363   8.348
  495    H    LYS  61           H        LYS  61  -5.770   6.315   7.852
  496    HA   LYS  61           HA       LYS  61  -6.801   8.778   6.892
  497   1HB   LYS  61          1HB       LYS  61  -5.218   8.161   8.970
  498   2HB   LYS  61          2HB       LYS  61  -3.976   8.666   7.823
  499   1HG   LYS  61          1HG       LYS  61  -4.490  10.726   8.723
  500   2HG   LYS  61          2HG       LYS  61  -5.694  10.678   7.434
  501   1HD   LYS  61          1HD       LYS  61  -7.441  10.345   8.885
  502   2HD   LYS  61          2HD       LYS  61  -6.459   9.415  10.017
  503   1HE   LYS  61          1HE       LYS  61  -7.131  11.642  10.929
  504   2HE   LYS  61          2HE       LYS  61  -5.381  11.448  10.821
  505   1HZ   LYS  61          1HZ       LYS  61  -6.945  12.685   8.639
  506   2HZ   LYS  61          2HZ       LYS  61  -6.369  13.599   9.946
  507   3HZ   LYS  61          3HZ       LYS  61  -5.274  12.786   8.932
  508    H    LEU  62           H        LEU  62  -4.256   6.633   5.800
  509    HA   LEU  62           HA       LEU  62  -2.956   8.390   4.001
  510   1HB   LEU  62          1HB       LEU  62  -3.249   5.412   4.139
  511   2HB   LEU  62          2HB       LEU  62  -2.466   6.166   2.772
  512    HG   LEU  62           HG       LEU  62  -1.566   6.540   5.631
  513   1HD1  LEU  62          1HD1      LEU  62  -1.031   4.436   3.582
  514   2HD1  LEU  62          2HD1      LEU  62   0.336   5.004   4.540
  515   3HD1  LEU  62          3HD1      LEU  62  -1.070   4.308   5.339
  516   1HD2  LEU  62          1HD2      LEU  62  -0.531   7.309   2.905
  517   2HD2  LEU  62          2HD2      LEU  62  -0.692   8.313   4.346
  518   3HD2  LEU  62          3HD2      LEU  62   0.585   7.099   4.254
  519    H    MET  63           H        MET  63  -5.407   5.884   3.443
  520    HA   MET  63           HA       MET  63  -5.883   6.272   0.741
  521   1HB   MET  63          1HB       MET  63  -7.903   5.597   2.890
  522   2HB   MET  63          2HB       MET  63  -8.163   5.394   1.160
  523   1HG   MET  63          1HG       MET  63  -5.928   4.074   2.728
  524   2HG   MET  63          2HG       MET  63  -7.437   3.281   2.282
  525   1HE   MET  63          1HE       MET  63  -8.031   2.327   0.463
  526   2HE   MET  63          2HE       MET  63  -8.135   3.603  -0.758
  527   3HE   MET  63          3HE       MET  63  -7.205   2.143  -1.082
  528    H    GLN  64           H        GLN  64  -7.350   7.978   3.472
  529    HA   GLN  64           HA       GLN  64  -8.968   9.672   1.787
  530   1HB   GLN  64          1HB       GLN  64  -8.253   9.904   4.721
  531   2HB   GLN  64          2HB       GLN  64  -9.451  10.894   3.887
  532   1HG   GLN  64          1HG       GLN  64 -10.776   8.915   3.355
  533   2HG   GLN  64          2HG       GLN  64  -9.549   7.869   4.068
  534   2HE2  GLN  64          2HE2      GLN  64 -11.276  10.865   5.128
  535   1HE2  GLN  64          1HE2      GLN  64 -11.669  10.261   6.664
  536    H    GLN  65           H        GLN  65  -5.787   9.802   3.226
  537    HA   GLN  65           HA       GLN  65  -5.396  12.622   2.890
  538   1HB   GLN  65          1HB       GLN  65  -3.674  10.287   3.601
  539   2HB   GLN  65          2HB       GLN  65  -2.896  11.779   3.078
  540   1HG   GLN  65          1HG       GLN  65  -5.072  12.176   5.031
  541   2HG   GLN  65          2HG       GLN  65  -3.702  11.262   5.654
  542   2HE2  GLN  65          2HE2      GLN  65  -4.749  14.289   5.774
  543   1HE2  GLN  65          1HE2      GLN  65  -3.299  15.157   5.606
  544    H    LEU  66           H        LEU  66  -4.828   9.763   0.931
  545    HA   LEU  66           HA       LEU  66  -3.604  11.451  -1.166
  546   1HB   LEU  66          1HB       LEU  66  -3.518   8.486  -0.647
  547   2HB   LEU  66          2HB       LEU  66  -3.037   9.180  -2.178
  548    HG   LEU  66           HG       LEU  66  -1.219  10.385  -1.115
  549   1HD1  LEU  66          1HD1      LEU  66  -2.470   9.331   1.427
  550   2HD1  LEU  66          2HD1      LEU  66  -0.803   9.900   1.366
  551   3HD1  LEU  66          3HD1      LEU  66  -2.126  11.007   1.000
  552   1HD2  LEU  66          1HD2      LEU  66  -1.283   7.712  -1.508
  553   2HD2  LEU  66          2HD2      LEU  66   0.145   8.550  -0.900
  554   3HD2  LEU  66          3HD2      LEU  66  -0.948   7.740   0.223
  555    HA   PRO  67           HA       PRO  67  -7.296  10.892  -3.511
  556   1HB   PRO  67          1HB       PRO  67  -6.337  11.264  -6.052
  557   2HB   PRO  67          2HB       PRO  67  -6.588  12.575  -4.890
  558   1HG   PRO  67          1HG       PRO  67  -4.057  11.307  -5.782
  559   2HG   PRO  67          2HG       PRO  67  -4.352  12.955  -5.205
  560   1HD   PRO  67          1HD       PRO  67  -3.217  10.856  -3.699
  561   2HD   PRO  67          2HD       PRO  67  -3.850  12.385  -3.045
  562    H    VAL  68           H        VAL  68  -5.207   9.612  -6.068
  563    HA   VAL  68           HA       VAL  68  -5.297   6.902  -5.474
  564    HB   VAL  68           HB       VAL  68  -7.878   7.659  -5.879
  565   1HG1  VAL  68          1HG1      VAL  68  -6.943   6.678  -8.588
  566   2HG1  VAL  68          2HG1      VAL  68  -8.622   6.900  -8.095
  567   3HG1  VAL  68          3HG1      VAL  68  -7.552   8.296  -8.235
  568   1HG2  VAL  68          1HG2      VAL  68  -6.875   5.463  -5.117
  569   2HG2  VAL  68          2HG2      VAL  68  -8.359   5.330  -6.059
  570   3HG2  VAL  68          3HG2      VAL  68  -6.801   4.999  -6.816
  571    H    THR  69           H        THR  69  -4.741   5.533  -7.351
  572    HA   THR  69           HA       THR  69  -3.674   7.067  -9.627
  573    HB   THR  69           HB       THR  69  -1.780   6.728  -8.148
  574    HG1  THR  69           HG1      THR  69  -0.555   5.322  -9.559
  575   1HG2  THR  69          1HG2      THR  69  -3.081   4.139  -7.746
  576   2HG2  THR  69          2HG2      THR  69  -1.353   3.984  -8.067
  577   3HG2  THR  69          3HG2      THR  69  -1.915   4.981  -6.725
  578    H    ALA  70           H        ALA  70  -3.705   6.019 -11.578
  579    HA   ALA  70           HA       ALA  70  -5.542   3.852 -11.868
  580   1HB   ALA  70          1HB       ALA  70  -5.399   5.406 -13.677
  581   2HB   ALA  70          2HB       ALA  70  -4.732   3.887 -14.273
  582   3HB   ALA  70          3HB       ALA  70  -3.651   5.198 -13.803
  583    H    ARG  71           H        ARG  71  -2.174   3.985 -13.018
  584    HA   ARG  71           HA       ARG  71  -1.673   1.336 -11.857
  585   1HB   ARG  71          1HB       ARG  71  -2.500   1.316 -14.378
  586   2HB   ARG  71          2HB       ARG  71  -0.819   1.752 -14.688
  587   1HG   ARG  71          1HG       ARG  71  -0.008  -0.266 -13.930
  588   2HG   ARG  71          2HG       ARG  71  -1.320  -0.477 -12.771
  589   1HD   ARG  71          1HD       ARG  71  -2.759  -0.613 -15.026
  590   2HD   ARG  71          2HD       ARG  71  -1.218  -1.170 -15.668
  591    HE   ARG  71           HE       ARG  71  -2.951  -2.604 -13.857
  592   1HH1  ARG  71          1HH1      ARG  71   0.345  -2.202 -14.961
  593   2HH1  ARG  71          2HH1      ARG  71   0.818  -3.798 -14.487
  594   1HH2  ARG  71          1HH2      ARG  71  -2.294  -4.676 -13.256
  595   2HH2  ARG  71          2HH2      ARG  71  -0.662  -5.188 -13.531

  No H/Q in entry =         595
  Start of MODEL   27
    1    H1   LEU   1           H1       LEU   1  -7.221 -20.681 -27.601
    2    H2   LEU   1           H2       LEU   1  -8.575 -21.641 -27.253
    3    H3   LEU   1           H3       LEU   1  -8.498 -20.044 -26.679
    4    HA   LEU   1           HA       LEU   1  -7.972 -21.294 -24.812
    5   1HB   LEU   1          1HB       LEU   1  -6.600 -23.023 -26.841
    6   2HB   LEU   1          2HB       LEU   1  -6.030 -23.058 -25.172
    7    HG   LEU   1           HG       LEU   1  -8.972 -23.277 -25.711
    8   1HD1  LEU   1          1HD1      LEU   1  -7.529 -24.921 -27.154
    9   2HD1  LEU   1          2HD1      LEU   1  -7.233 -25.730 -25.614
   10   3HD1  LEU   1          3HD1      LEU   1  -8.881 -25.562 -26.219
   11   1HD2  LEU   1          1HD2      LEU   1  -7.067 -24.389 -23.626
   12   2HD2  LEU   1          2HD2      LEU   1  -8.202 -23.057 -23.402
   13   3HD2  LEU   1          3HD2      LEU   1  -8.803 -24.696 -23.657
   14    H    GLY   2           H        GLY   2  -7.029 -19.524 -23.939
   15   1HA   GLY   2          1HA       GLY   2  -4.138 -19.303 -24.099
   16   2HA   GLY   2          2HA       GLY   2  -5.203 -18.378 -23.044
   17    H    ALA   3           H        ALA   3  -6.774 -16.917 -24.416
   18    HA   ALA   3           HA       ALA   3  -5.079 -15.093 -25.875
   19   1HB   ALA   3          1HB       ALA   3  -5.748 -16.786 -27.621
   20   2HB   ALA   3          2HB       ALA   3  -6.247 -15.132 -27.975
   21   3HB   ALA   3          3HB       ALA   3  -7.422 -16.296 -27.362
   22    H    SER   4           H        SER   4  -5.681 -13.155 -25.203
   23    HA   SER   4           HA       SER   4  -6.960 -11.402 -24.440
   24   1HB   SER   4          1HB       SER   4  -9.158 -12.907 -25.878
   25   2HB   SER   4          2HB       SER   4  -9.304 -11.268 -25.248
   26    HG   SER   4           HG       SER   4  -7.325 -12.126 -27.098
   27    H    TRP   5           H        TRP   5  -6.602 -12.094 -22.267
   28    HA   TRP   5           HA       TRP   5  -9.009 -12.453 -20.781
   29   1HB   TRP   5          1HB       TRP   5  -8.222 -14.836 -21.712
   30   2HB   TRP   5          2HB       TRP   5  -7.175 -14.750 -20.296
   31    HD1  TRP   5           HD1      TRP   5 -10.604 -15.632 -21.305
   32    HE1  TRP   5           HE1      TRP   5 -12.113 -15.939 -19.238
   33    HE3  TRP   5           HE3      TRP   5  -7.597 -13.609 -17.707
   34    HZ2  TRP   5           HZ2      TRP   5 -12.053 -15.400 -16.429
   35    HZ3  TRP   5           HZ3      TRP   5  -8.347 -13.519 -15.346
   36    HH2  TRP   5           HH2      TRP   5 -10.570 -14.411 -14.703
   37    H    HIS   6           H        HIS   6  -8.188 -10.604 -19.763
   38    HA   HIS   6           HA       HIS   6  -5.617 -10.379 -18.620
   39   1HB   HIS   6          1HB       HIS   6  -8.177  -9.048 -17.699
   40   2HB   HIS   6          2HB       HIS   6  -6.534  -8.520 -17.334
   41    HD1  HIS   6           HD1      HIS   6  -5.039  -7.902 -19.538
   42    HD2  HIS   6           HD2      HIS   6  -9.172  -8.015 -20.073
   43    HE1  HIS   6           HE1      HIS   6  -5.517  -6.660 -21.693
   44    H    ARG   7           H        ARG   7  -4.745 -11.337 -16.916
   45    HA   ARG   7           HA       ARG   7  -6.397 -12.086 -14.625
   46   1HB   ARG   7          1HB       ARG   7  -6.406 -14.070 -16.168
   47   2HB   ARG   7          2HB       ARG   7  -4.652 -14.145 -15.994
   48   1HG   ARG   7          1HG       ARG   7  -4.844 -14.495 -13.602
   49   2HG   ARG   7          2HG       ARG   7  -6.588 -14.236 -13.665
   50   1HD   ARG   7          1HD       ARG   7  -5.425 -16.360 -15.413
   51   2HD   ARG   7          2HD       ARG   7  -5.551 -16.691 -13.688
   52    HE   ARG   7           HE       ARG   7  -7.707 -16.640 -15.557
   53   1HH1  ARG   7          1HH1      ARG   7  -6.875 -15.816 -12.258
   54   2HH1  ARG   7          2HH1      ARG   7  -8.497 -15.997 -11.684
   55   1HH2  ARG   7          1HH2      ARG   7  -9.808 -16.865 -14.767
   56   2HH2  ARG   7          2HH2      ARG   7 -10.144 -16.586 -13.090
   57    HA   PRO   8           HA       PRO   8  -2.184 -10.640 -13.455
   58   1HB   PRO   8          1HB       PRO   8  -3.002  -8.758 -11.652
   59   2HB   PRO   8          2HB       PRO   8  -2.829  -8.448 -13.386
   60   1HG   PRO   8          1HG       PRO   8  -5.287  -8.758 -11.772
   61   2HG   PRO   8          2HG       PRO   8  -5.043  -7.904 -13.303
   62   1HD   PRO   8          1HD       PRO   8  -6.217 -10.479 -12.953
   63   2HD   PRO   8          2HD       PRO   8  -5.784  -9.703 -14.495
   64    H    ASP   9           H        ASP   9  -1.175 -10.477 -11.218
   65    HA   ASP   9           HA       ASP   9  -2.602 -11.880  -9.091
   66   1HB   ASP   9          1HB       ASP   9  -1.543 -13.661 -10.523
   67   2HB   ASP   9          2HB       ASP   9   0.027 -12.963 -10.123
   68    H    LYS  10           H        LYS  10  -2.344  -9.817  -8.081
   69    HA   LYS  10           HA       LYS  10   0.176  -9.601  -6.645
   70   1HB   LYS  10          1HB       LYS  10  -0.674  -7.647  -8.730
   71   2HB   LYS  10          2HB       LYS  10   0.024  -7.002  -7.243
   72   1HG   LYS  10          1HG       LYS  10   1.970  -8.542  -7.539
   73   2HG   LYS  10          2HG       LYS  10   1.293  -9.047  -9.087
   74   1HD   LYS  10          1HD       LYS  10   1.566  -6.116  -8.653
   75   2HD   LYS  10          2HD       LYS  10   3.061  -7.024  -8.876
   76   1HE   LYS  10          1HE       LYS  10   2.430  -7.776 -11.019
   77   2HE   LYS  10          2HE       LYS  10   0.726  -7.414 -10.741
   78   1HZ   LYS  10          1HZ       LYS  10   1.480  -5.016 -10.547
   79   2HZ   LYS  10          2HZ       LYS  10   2.946  -5.524 -11.233
   80   3HZ   LYS  10          3HZ       LYS  10   1.497  -5.701 -12.102
   81    H    CYS  11           H        CYS  11  -2.602 -10.204  -6.008
   82    HA   CYS  11           HA       CYS  11  -3.851  -7.941  -4.809
   83   1HB   CYS  11          1HB       CYS  11  -4.223 -10.908  -4.613
   84   2HB   CYS  11          2HB       CYS  11  -5.037  -9.848  -3.461
   85    H    CYS  12           H        CYS  12  -1.399 -10.193  -3.759
   86    HA   CYS  12           HA       CYS  12  -0.069 -10.241  -1.885
   87   1HB   CYS  12          1HB       CYS  12   0.070  -7.762  -2.334
   88   2HB   CYS  12          2HB       CYS  12  -1.262  -7.549  -1.199
   89    H    LEU  13           H        LEU  13  -0.245 -11.126   0.109
   90    HA   LEU  13           HA       LEU  13  -2.964 -11.255   1.255
   91   1HB   LEU  13          1HB       LEU  13  -0.644 -13.088   1.823
   92   2HB   LEU  13          2HB       LEU  13  -2.314 -13.317   2.293
   93    HG   LEU  13           HG       LEU  13  -1.650 -13.137  -0.620
   94   1HD1  LEU  13          1HD1      LEU  13  -0.991 -15.389   1.262
   95   2HD1  LEU  13          2HD1      LEU  13  -1.467 -15.742  -0.399
   96   3HD1  LEU  13          3HD1      LEU  13  -0.042 -14.753  -0.081
   97   1HD2  LEU  13          1HD2      LEU  13  -3.778 -14.249   1.160
   98   2HD2  LEU  13          2HD2      LEU  13  -3.936 -13.378  -0.365
   99   3HD2  LEU  13          3HD2      LEU  13  -3.472 -15.080  -0.364
  100    H    GLY  14           H        GLY  14   0.446 -10.795   2.051
  101   1HA   GLY  14          1HA       GLY  14   1.481 -10.004   3.969
  102   2HA   GLY  14          2HA       GLY  14  -0.016 -10.309   4.848
  103    H    TYR  15           H        TYR  15   1.101  -8.115   5.662
  104    HA   TYR  15           HA       TYR  15   0.344  -5.815   4.053
  105   1HB   TYR  15          1HB       TYR  15  -1.052  -6.427   6.664
  106   2HB   TYR  15          2HB       TYR  15  -1.128  -4.878   5.827
  107    HD1  TYR  15           HD1      TYR  15  -2.088  -4.759   3.515
  108    HD2  TYR  15           HD2      TYR  15  -2.356  -8.300   5.924
  109    HE1  TYR  15           HE1      TYR  15  -3.892  -5.608   2.051
  110    HE2  TYR  15           HE2      TYR  15  -4.163  -9.159   4.457
  111    HH   TYR  15           HH       TYR  15  -4.813  -7.948   1.444
  112    H    GLN  16           H        GLN  16   0.778  -3.756   5.269
  113    HA   GLN  16           HA       GLN  16   3.429  -3.853   6.339
  114   1HB   GLN  16          1HB       GLN  16   2.706  -1.928   5.024
  115   2HB   GLN  16          2HB       GLN  16   1.434  -1.575   6.181
  116   1HG   GLN  16          1HG       GLN  16   3.368  -0.096   6.529
  117   2HG   GLN  16          2HG       GLN  16   3.150  -1.160   7.915
  118   2HE2  GLN  16          2HE2      GLN  16   5.324  -0.277   5.338
  119   1HE2  GLN  16          1HE2      GLN  16   6.547  -1.391   5.716
  120    H    LYS  17           H        LYS  17   4.140  -3.347   8.399
  121    HA   LYS  17           HA       LYS  17   2.128  -3.720  10.532
  122   1HB   LYS  17          1HB       LYS  17   5.044  -4.468  10.357
  123   2HB   LYS  17          2HB       LYS  17   4.201  -4.369  11.904
  124   1HG   LYS  17          1HG       LYS  17   2.413  -5.882  10.747
  125   2HG   LYS  17          2HG       LYS  17   3.706  -6.246   9.606
  126   1HD   LYS  17          1HD       LYS  17   5.123  -7.095  11.351
  127   2HD   LYS  17          2HD       LYS  17   4.032  -6.500  12.604
  128   1HE   LYS  17          1HE       LYS  17   2.445  -8.159  12.203
  129   2HE   LYS  17          2HE       LYS  17   2.989  -8.418  10.545
  130   1HZ   LYS  17          1HZ       LYS  17   4.760  -9.021  12.826
  131   2HZ   LYS  17          2HZ       LYS  17   3.596 -10.148  12.314
  132   3HZ   LYS  17          3HZ       LYS  17   4.813  -9.635  11.245
  133    H    ARG  18           H        ARG  18   4.541  -1.586   9.234
  134    HA   ARG  18           HA       ARG  18   4.342   0.106  11.654
  135   1HB   ARG  18          1HB       ARG  18   6.416   1.212  10.791
  136   2HB   ARG  18          2HB       ARG  18   6.643  -0.489  11.199
  137   1HG   ARG  18          1HG       ARG  18   6.454  -1.130   8.864
  138   2HG   ARG  18          2HG       ARG  18   6.048   0.524   8.405
  139   1HD   ARG  18          1HD       ARG  18   8.403   0.110   7.929
  140   2HD   ARG  18          2HD       ARG  18   8.262   1.276   9.242
  141    HE   ARG  18           HE       ARG  18   9.285  -0.264  10.640
  142   1HH1  ARG  18          1HH1      ARG  18   8.096  -1.902   7.783
  143   2HH1  ARG  18          2HH1      ARG  18   8.841  -3.407   8.199
  144   1HH2  ARG  18          1HH2      ARG  18  10.239  -2.245  11.143
  145   2HH2  ARG  18          2HH2      ARG  18  10.044  -3.601  10.083
  146    HA   PRO  19           HA       PRO  19   2.199   2.995   9.058
  147   1HB   PRO  19          1HB       PRO  19   2.339   5.200  10.666
  148   2HB   PRO  19          2HB       PRO  19   1.268   3.827  10.970
  149   1HG   PRO  19          1HG       PRO  19   3.736   4.618  12.378
  150   2HG   PRO  19          2HG       PRO  19   2.376   3.640  12.948
  151   1HD   PRO  19          1HD       PRO  19   4.917   2.690  12.056
  152   2HD   PRO  19          2HD       PRO  19   3.490   1.711  12.468
  153    H    LEU  20           H        LEU  20   2.795   4.157   7.322
  154    HA   LEU  20           HA       LEU  20   5.453   5.436   7.331
  155   1HB   LEU  20          1HB       LEU  20   3.937   5.227   4.801
  156   2HB   LEU  20          2HB       LEU  20   5.643   4.999   5.108
  157    HG   LEU  20           HG       LEU  20   3.427   2.993   5.593
  158   1HD1  LEU  20          1HD1      LEU  20   4.483   3.546   3.234
  159   2HD1  LEU  20          2HD1      LEU  20   5.834   2.593   3.847
  160   3HD1  LEU  20          3HD1      LEU  20   4.230   1.870   3.720
  161   1HD2  LEU  20          1HD2      LEU  20   5.420   3.087   7.269
  162   2HD2  LEU  20          2HD2      LEU  20   5.021   1.536   6.533
  163   3HD2  LEU  20          3HD2      LEU  20   6.380   2.479   5.921
  164    HA   PRO  21           HA       PRO  21   3.435   9.383   7.114
  165   1HB   PRO  21          1HB       PRO  21   5.543  10.908   6.269
  166   2HB   PRO  21          2HB       PRO  21   5.391  10.266   7.914
  167   1HG   PRO  21          1HG       PRO  21   7.192   9.413   5.732
  168   2HG   PRO  21          2HG       PRO  21   7.375   9.229   7.481
  169   1HD   PRO  21          1HD       PRO  21   6.541   7.225   5.628
  170   2HD   PRO  21          2HD       PRO  21   6.553   7.103   7.402
  171    H    GLN  22           H        GLN  22   2.230  10.492   5.645
  172    HA   GLN  22           HA       GLN  22   2.218   9.734   2.903
  173   1HB   GLN  22          1HB       GLN  22   0.259  10.642   4.261
  174   2HB   GLN  22          2HB       GLN  22   0.964  12.241   4.019
  175   1HG   GLN  22          1HG       GLN  22   0.695  10.544   1.593
  176   2HG   GLN  22          2HG       GLN  22  -0.806  11.149   2.292
  177   2HE2  GLN  22          2HE2      GLN  22   1.279  11.941  -0.075
  178   1HE2  GLN  22          1HE2      GLN  22   1.228  13.635   0.013
  179    H    VAL  23           H        VAL  23   4.156  11.969   4.626
  180    HA   VAL  23           HA       VAL  23   4.537  14.030   2.805
  181    HB   VAL  23           HB       VAL  23   5.424  14.028   5.111
  182   1HG1  VAL  23          1HG1      VAL  23   6.343  11.532   4.574
  183   2HG1  VAL  23          2HG1      VAL  23   7.821  12.461   4.336
  184   3HG1  VAL  23          3HG1      VAL  23   6.972  12.536   5.880
  185   1HG2  VAL  23          1HG2      VAL  23   7.418  14.411   2.867
  186   2HG2  VAL  23          2HG2      VAL  23   6.400  15.638   3.623
  187   3HG2  VAL  23          3HG2      VAL  23   7.728  14.914   4.529
  188    H    LEU  24           H        LEU  24   5.828  10.795   2.822
  189    HA   LEU  24           HA       LEU  24   7.431  11.385   0.413
  190   1HB   LEU  24          1HB       LEU  24   8.509   9.237   0.822
  191   2HB   LEU  24          2HB       LEU  24   8.644  10.285   2.217
  192    HG   LEU  24           HG       LEU  24   6.563   8.986   3.094
  193   1HD1  LEU  24          1HD1      LEU  24   7.105   7.617   0.599
  194   2HD1  LEU  24          2HD1      LEU  24   7.281   6.502   1.953
  195   3HD1  LEU  24          3HD1      LEU  24   5.771   7.382   1.726
  196   1HD2  LEU  24          1HD2      LEU  24   9.390   7.964   2.892
  197   2HD2  LEU  24          2HD2      LEU  24   8.602   8.759   4.255
  198   3HD2  LEU  24          3HD2      LEU  24   8.172   7.102   3.831
  199    H    LEU  25           H        LEU  25   4.791   9.506   1.702
  200    HA   LEU  25           HA       LEU  25   4.460   7.651  -0.373
  201   1HB   LEU  25          1HB       LEU  25   3.230   8.032   1.971
  202   2HB   LEU  25          2HB       LEU  25   2.034   8.757   0.922
  203    HG   LEU  25           HG       LEU  25   1.738   6.672  -0.273
  204   1HD1  LEU  25          1HD1      LEU  25   4.209   5.927   1.241
  205   2HD1  LEU  25          2HD1      LEU  25   3.046   4.655   0.870
  206   3HD1  LEU  25          3HD1      LEU  25   3.778   5.588  -0.434
  207   1HD2  LEU  25          1HD2      LEU  25   1.650   6.673   2.720
  208   2HD2  LEU  25          2HD2      LEU  25   0.321   6.598   1.562
  209   3HD2  LEU  25          3HD2      LEU  25   1.300   5.165   1.876
  210    H    SER  26           H        SER  26   3.108   7.583  -2.152
  211    HA   SER  26           HA       SER  26   2.467  10.241  -3.283
  212   1HB   SER  26          1HB       SER  26   4.079   8.396  -4.390
  213   2HB   SER  26          2HB       SER  26   2.538   7.850  -5.043
  214    HG   SER  26           HG       SER  26   2.347   9.669  -6.148
  215    H    SER  27           H        SER  27   1.318   6.896  -3.789
  216    HA   SER  27           HA       SER  27  -1.411   7.668  -3.131
  217   1HB   SER  27          1HB       SER  27  -0.473   7.564  -5.881
  218   2HB   SER  27          2HB       SER  27  -1.779   6.419  -5.607
  219    HG   SER  27           HG       SER  27  -3.113   8.028  -5.190
  220    H    TRP  28           H        TRP  28  -2.792   5.571  -4.132
  221    HA   TRP  28           HA       TRP  28  -1.376   3.087  -3.523
  222   1HB   TRP  28          1HB       TRP  28  -3.147   2.413  -1.873
  223   2HB   TRP  28          2HB       TRP  28  -2.094   3.706  -1.303
  224    HD1  TRP  28           HD1      TRP  28  -3.099   6.167  -1.180
  225    HE1  TRP  28           HE1      TRP  28  -5.526   7.032  -1.073
  226    HE3  TRP  28           HE3      TRP  28  -5.599   1.960  -2.655
  227    HZ2  TRP  28           HZ2      TRP  28  -8.178   6.057  -1.566
  228    HZ3  TRP  28           HZ3      TRP  28  -8.066   1.959  -2.829
  229    HH2  TRP  28           HH2      TRP  28  -9.359   4.000  -2.282
  230    H    TYR  29           H        TYR  29  -2.254   1.338  -4.546
  231    HA   TYR  29           HA       TYR  29  -4.723   1.868  -6.079
  232   1HB   TYR  29          1HB       TYR  29  -3.932   0.529  -7.869
  233   2HB   TYR  29          2HB       TYR  29  -2.590   1.571  -7.420
  234    HD1  TYR  29           HD1      TYR  29  -0.660   0.626  -6.092
  235    HD2  TYR  29           HD2      TYR  29  -3.819  -1.845  -7.639
  236    HE1  TYR  29           HE1      TYR  29   0.761  -1.379  -5.801
  237    HE2  TYR  29           HE2      TYR  29  -2.393  -3.850  -7.343
  238    HH   TYR  29           HH       TYR  29  -0.376  -4.455  -5.780
  239    HA   PRO  30           HA       PRO  30  -6.314  -1.520  -3.657
  240   1HB   PRO  30          1HB       PRO  30  -8.806  -1.628  -4.763
  241   2HB   PRO  30          2HB       PRO  30  -8.295  -0.387  -3.609
  242   1HG   PRO  30          1HG       PRO  30  -8.755  -0.164  -6.519
  243   2HG   PRO  30          2HG       PRO  30  -8.812   1.086  -5.270
  244   1HD   PRO  30          1HD       PRO  30  -6.684   0.598  -7.103
  245   2HD   PRO  30          2HD       PRO  30  -6.674   1.726  -5.726
  246    H    THR  31           H        THR  31  -7.388  -3.641  -3.933
  247    HA   THR  31           HA       THR  31  -6.224  -5.087  -6.178
  248    HB   THR  31           HB       THR  31  -7.306  -7.075  -4.938
  249    HG1  THR  31           HG1      THR  31  -7.386  -5.242  -2.794
  250   1HG2  THR  31          1HG2      THR  31  -4.875  -6.225  -4.848
  251   2HG2  THR  31          2HG2      THR  31  -5.316  -5.511  -3.298
  252   3HG2  THR  31          3HG2      THR  31  -5.419  -7.257  -3.525
  253    H    SER  32           H        SER  32  -7.827  -7.054  -6.845
  254    HA   SER  32           HA       SER  32 -10.023  -5.704  -8.193
  255   1HB   SER  32          1HB       SER  32  -8.807  -7.144  -9.626
  256   2HB   SER  32          2HB       SER  32  -8.816  -8.455  -8.450
  257    HG   SER  32           HG       SER  32 -10.390  -8.554 -10.245
  258    H    GLN  33           H        GLN  33 -10.270  -9.066  -7.103
  259    HA   GLN  33           HA       GLN  33 -11.865  -8.720  -4.836
  260   1HB   GLN  33          1HB       GLN  33 -13.293  -7.731  -6.912
  261   2HB   GLN  33          2HB       GLN  33 -13.761  -9.426  -7.007
  262   1HG   GLN  33          1HG       GLN  33 -13.996  -9.087  -4.352
  263   2HG   GLN  33          2HG       GLN  33 -14.307  -7.428  -4.867
  264   2HE2  GLN  33          2HE2      GLN  33 -15.715 -10.554  -4.559
  265   1HE2  GLN  33          1HE2      GLN  33 -17.152 -10.232  -5.405
  266    H    LEU  34           H        LEU  34 -11.391 -10.563  -7.801
  267    HA   LEU  34           HA       LEU  34 -12.428 -13.032  -7.041
  268   1HB   LEU  34          1HB       LEU  34  -9.955 -12.587  -8.702
  269   2HB   LEU  34          2HB       LEU  34 -10.969 -14.013  -8.701
  270    HG   LEU  34           HG       LEU  34 -12.043 -11.311  -9.501
  271   1HD1  LEU  34          1HD1      LEU  34 -10.341 -13.243 -11.016
  272   2HD1  LEU  34          2HD1      LEU  34 -11.678 -12.473 -11.870
  273   3HD1  LEU  34          3HD1      LEU  34 -10.419 -11.484 -11.132
  274   1HD2  LEU  34          1HD2      LEU  34 -13.475 -13.408  -8.921
  275   2HD2  LEU  34          2HD2      LEU  34 -13.824 -12.544 -10.418
  276   3HD2  LEU  34          3HD2      LEU  34 -12.889 -14.038 -10.461
  277    H    CYS  35           H        CYS  35  -9.430 -11.494  -6.114
  278    HA   CYS  35           HA       CYS  35  -8.018 -13.754  -5.197
  279   1HB   CYS  35          1HB       CYS  35  -7.922 -10.946  -4.068
  280   2HB   CYS  35          2HB       CYS  35  -6.689 -12.194  -3.882
  281    H    SER  36           H        SER  36  -7.960 -14.828  -3.273
  282    HA   SER  36           HA       SER  36 -10.309 -15.007  -1.734
  283   1HB   SER  36          1HB       SER  36  -8.492 -16.766  -1.951
  284   2HB   SER  36          2HB       SER  36  -7.558 -15.824  -0.792
  285    HG   SER  36           HG       SER  36  -8.719 -17.261   0.397
  286    H    LYS  37           H        LYS  37  -7.132 -13.726  -0.780
  287    HA   LYS  37           HA       LYS  37  -8.512 -12.032   1.219
  288   1HB   LYS  37          1HB       LYS  37  -6.978 -13.779   2.168
  289   2HB   LYS  37          2HB       LYS  37  -5.643 -12.995   1.323
  290   1HG   LYS  37          1HG       LYS  37  -5.651 -11.166   2.718
  291   2HG   LYS  37          2HG       LYS  37  -7.390 -11.257   2.998
  292   1HD   LYS  37          1HD       LYS  37  -6.491 -11.931   5.064
  293   2HD   LYS  37          2HD       LYS  37  -6.838 -13.465   4.264
  294   1HE   LYS  37          1HE       LYS  37  -4.539 -13.739   3.615
  295   2HE   LYS  37          2HE       LYS  37  -4.142 -12.097   4.120
  296   1HZ   LYS  37          1HZ       LYS  37  -5.178 -14.157   5.982
  297   2HZ   LYS  37          2HZ       LYS  37  -3.519 -13.895   5.722
  298   3HZ   LYS  37          3HZ       LYS  37  -4.480 -12.658   6.373
  299    HA   PRO  38           HA       PRO  38  -6.467  -9.174  -1.756
  300   1HB   PRO  38          1HB       PRO  38  -8.615  -7.536  -2.141
  301   2HB   PRO  38          2HB       PRO  38  -8.329  -9.016  -3.069
  302   1HG   PRO  38          1HG       PRO  38 -10.326  -8.484  -0.959
  303   2HG   PRO  38          2HG       PRO  38 -10.356  -9.679  -2.264
  304   1HD   PRO  38          1HD       PRO  38  -9.714 -10.150   0.478
  305   2HD   PRO  38          2HD       PRO  38  -9.576 -11.304  -0.869
  306    H    GLY  39           H        GLY  39  -6.479  -6.659  -1.715
  307   1HA   GLY  39          1HA       GLY  39  -5.502  -5.747   0.747
  308   2HA   GLY  39          2HA       GLY  39  -7.182  -5.223   0.616
  309    H    VAL  40           H        VAL  40  -4.415  -3.849   0.438
  310    HA   VAL  40           HA       VAL  40  -4.535  -2.732  -2.259
  311    HB   VAL  40           HB       VAL  40  -4.751  -0.899   0.136
  312   1HG1  VAL  40          1HG1      VAL  40  -3.725  -0.371  -2.309
  313   2HG1  VAL  40          2HG1      VAL  40  -5.432  -0.071  -2.627
  314   3HG1  VAL  40          3HG1      VAL  40  -4.603   0.821  -1.352
  315   1HG2  VAL  40          1HG2      VAL  40  -6.843  -1.949  -1.779
  316   2HG2  VAL  40          2HG2      VAL  40  -6.872  -1.991  -0.015
  317   3HG2  VAL  40          3HG2      VAL  40  -7.062  -0.457  -0.864
  318    H    ILE  41           H        ILE  41  -2.626  -2.030  -2.983
  319    HA   ILE  41           HA       ILE  41  -0.342  -2.157  -1.117
  320    HB   ILE  41           HB       ILE  41  -0.609  -2.704  -4.073
  321   1HG1  ILE  41          1HG1      ILE  41   0.820  -4.718  -3.165
  322   2HG1  ILE  41          2HG1      ILE  41   0.181  -4.204  -1.604
  323   1HG2  ILE  41          1HG2      ILE  41   1.956  -2.217  -2.527
  324   2HG2  ILE  41          2HG2      ILE  41   1.886  -2.975  -4.119
  325   3HG2  ILE  41          3HG2      ILE  41   1.372  -1.298  -3.917
  326   1HD1  ILE  41          1HD1      ILE  41  -1.756  -4.434  -3.858
  327   2HD1  ILE  41          2HD1      ILE  41  -1.139  -5.934  -3.170
  328   3HD1  ILE  41          3HD1      ILE  41  -1.983  -4.775  -2.143
  329    H    PHE  42           H        PHE  42   0.676  -0.326  -0.648
  330    HA   PHE  42           HA       PHE  42  -0.174   2.171  -1.799
  331   1HB   PHE  42          1HB       PHE  42   1.723   1.336   0.356
  332   2HB   PHE  42          2HB       PHE  42   1.915   2.942  -0.347
  333    HD1  PHE  42           HD1      PHE  42   0.077   4.599  -0.226
  334    HD2  PHE  42           HD2      PHE  42  -0.183   0.780   1.722
  335    HE1  PHE  42           HE1      PHE  42  -1.816   5.428   1.143
  336    HE2  PHE  42           HE2      PHE  42  -2.076   1.610   3.092
  337    HZ   PHE  42           HZ       PHE  42  -2.893   3.933   2.803
  338    H    LEU  43           H        LEU  43   1.361   3.756  -2.643
  339    HA   LEU  43           HA       LEU  43   3.698   2.616  -4.021
  340   1HB   LEU  43          1HB       LEU  43   1.708   4.409  -5.402
  341   2HB   LEU  43          2HB       LEU  43   3.106   3.630  -6.110
  342    HG   LEU  43           HG       LEU  43   0.993   1.883  -4.930
  343   1HD1  LEU  43          1HD1      LEU  43   0.687   3.654  -7.329
  344   2HD1  LEU  43          2HD1      LEU  43   0.008   2.028  -7.383
  345   3HD1  LEU  43          3HD1      LEU  43  -0.521   3.162  -6.141
  346   1HD2  LEU  43          1HD2      LEU  43   3.318   1.403  -6.240
  347   2HD2  LEU  43          2HD2      LEU  43   1.936   0.310  -6.305
  348   3HD2  LEU  43          3HD2      LEU  43   2.209   1.464  -7.610
  349    H    THR  44           H        THR  44   5.075   3.760  -2.656
  350    HA   THR  44           HA       THR  44   4.738   6.462  -1.925
  351    HB   THR  44           HB       THR  44   7.131   6.385  -1.324
  352    HG1  THR  44           HG1      THR  44   7.627   4.994  -3.220
  353   1HG2  THR  44          1HG2      THR  44   5.221   4.220  -0.596
  354   2HG2  THR  44          2HG2      THR  44   6.887   4.051  -0.049
  355   3HG2  THR  44          3HG2      THR  44   5.947   5.466   0.417
  356    H    LYS  45           H        LYS  45   6.303   8.222  -2.560
  357    HA   LYS  45           HA       LYS  45   6.006   8.828  -5.300
  358   1HB   LYS  45          1HB       LYS  45   7.731  10.014  -3.125
  359   2HB   LYS  45          2HB       LYS  45   7.744  10.638  -4.775
  360   1HG   LYS  45          1HG       LYS  45   5.584  11.447  -4.637
  361   2HG   LYS  45          2HG       LYS  45   5.091  10.228  -3.462
  362   1HD   LYS  45          1HD       LYS  45   5.244  11.980  -1.999
  363   2HD   LYS  45          2HD       LYS  45   6.954  11.547  -2.001
  364   1HE   LYS  45          1HE       LYS  45   7.201  13.150  -3.988
  365   2HE   LYS  45          2HE       LYS  45   5.589  13.736  -3.577
  366   1HZ   LYS  45          1HZ       LYS  45   7.782  13.588  -1.594
  367   2HZ   LYS  45          2HZ       LYS  45   7.513  14.962  -2.551
  368   3HZ   LYS  45          3HZ       LYS  45   6.314  14.432  -1.471
  369    H    ARG  46           H        ARG  46   8.965   8.063  -3.462
  370    HA   ARG  46           HA       ARG  46  10.119   6.952  -5.948
  371   1HB   ARG  46          1HB       ARG  46  11.018   9.246  -5.111
  372   2HB   ARG  46          2HB       ARG  46  11.822   8.282  -3.871
  373   1HG   ARG  46          1HG       ARG  46  12.565   6.801  -5.914
  374   2HG   ARG  46          2HG       ARG  46  12.229   8.261  -6.844
  375   1HD   ARG  46          1HD       ARG  46  14.145   7.993  -4.515
  376   2HD   ARG  46          2HD       ARG  46  14.566   8.289  -6.198
  377    HE   ARG  46           HE       ARG  46  13.638  10.243  -4.281
  378   1HH1  ARG  46          1HH1      ARG  46  13.857   9.430  -7.680
  379   2HH1  ARG  46          2HH1      ARG  46  13.753  11.077  -8.196
  380   1HH2  ARG  46          1HH2      ARG  46  13.506  12.377  -4.998
  381   2HH2  ARG  46          2HH2      ARG  46  13.557  12.733  -6.693
  382    H    GLY  47           H        GLY  47   9.127   6.206  -2.853
  383   1HA   GLY  47          1HA       GLY  47   9.671   4.579  -1.322
  384   2HA   GLY  47          2HA       GLY  47  11.299   4.561  -1.991
  385    H    ARG  48           H        ARG  48   8.444   2.865  -1.657
  386    HA   ARG  48           HA       ARG  48   8.696   1.263  -4.080
  387   1HB   ARG  48          1HB       ARG  48   9.811   0.431  -1.478
  388   2HB   ARG  48          2HB       ARG  48   8.758  -0.765  -2.230
  389   1HG   ARG  48          1HG       ARG  48  10.105  -0.336  -4.386
  390   2HG   ARG  48          2HG       ARG  48  11.280   0.466  -3.343
  391   1HD   ARG  48          1HD       ARG  48  12.133  -1.662  -3.229
  392   2HD   ARG  48          2HD       ARG  48  10.959  -1.782  -1.923
  393    HE   ARG  48           HE       ARG  48   9.633  -2.502  -4.273
  394   1HH1  ARG  48          1HH1      ARG  48  12.319  -3.650  -2.343
  395   2HH1  ARG  48          2HH1      ARG  48  12.089  -5.301  -2.800
  396   1HH2  ARG  48          1HH2      ARG  48   9.368  -4.668  -4.841
  397   2HH2  ARG  48          2HH2      ARG  48  10.432  -5.875  -4.202
  398    H    GLN  49           H        GLN  49   7.241  -0.898  -3.477
  399    HA   GLN  49           HA       GLN  49   4.618   0.246  -2.817
  400   1HB   GLN  49          1HB       GLN  49   5.570  -2.072  -4.426
  401   2HB   GLN  49          2HB       GLN  49   4.009  -2.238  -3.621
  402   1HG   GLN  49          1HG       GLN  49   3.019  -0.607  -4.898
  403   2HG   GLN  49          2HG       GLN  49   4.510   0.321  -5.057
  404   2HE2  GLN  49          2HE2      GLN  49   6.289  -1.448  -6.186
  405   1HE2  GLN  49          1HE2      GLN  49   5.711  -2.013  -7.679
  406    H    VAL  50           H        VAL  50   3.244  -0.694  -1.274
  407    HA   VAL  50           HA       VAL  50   4.339  -2.826   0.421
  408    HB   VAL  50           HB       VAL  50   3.421  -0.177   1.567
  409   1HG1  VAL  50          1HG1      VAL  50   4.553  -2.697   2.823
  410   2HG1  VAL  50          2HG1      VAL  50   4.323  -1.174   3.684
  411   3HG1  VAL  50          3HG1      VAL  50   2.929  -2.045   3.046
  412   1HG2  VAL  50          1HG2      VAL  50   6.184  -1.392   1.275
  413   2HG2  VAL  50          2HG2      VAL  50   5.601   0.093   0.523
  414   3HG2  VAL  50          3HG2      VAL  50   5.819   0.017   2.271
  415    H    CYS  51           H        CYS  51   2.813  -4.139   1.230
  416    HA   CYS  51           HA       CYS  51   0.086  -3.829   0.350
  417   1HB   CYS  51          1HB       CYS  51   1.254  -5.839   2.294
  418   2HB   CYS  51          2HB       CYS  51  -0.302  -5.959   1.474
  419    H    ALA  52           H        ALA  52  -1.626  -3.048   1.500
  420    HA   ALA  52           HA       ALA  52  -1.343  -2.691   4.397
  421   1HB   ALA  52          1HB       ALA  52  -0.517  -0.606   3.143
  422   2HB   ALA  52          2HB       ALA  52  -2.207  -0.358   2.708
  423   3HB   ALA  52          3HB       ALA  52  -1.726  -0.370   4.404
  424    H    ASP  53           H        ASP  53  -3.237  -2.635   5.509
  425    HA   ASP  53           HA       ASP  53  -5.679  -3.192   3.941
  426   1HB   ASP  53          1HB       ASP  53  -4.666  -4.126   6.586
  427   2HB   ASP  53          2HB       ASP  53  -6.407  -3.898   6.421
  428    H    LYS  54           H        LYS  54  -7.344  -1.807   4.034
  429    HA   LYS  54           HA       LYS  54  -7.086   0.775   5.088
  430   1HB   LYS  54          1HB       LYS  54  -9.546   0.962   4.711
  431   2HB   LYS  54          2HB       LYS  54  -8.676   0.318   3.318
  432   1HG   LYS  54          1HG       LYS  54  -9.333  -1.940   3.860
  433   2HG   LYS  54          2HG       LYS  54 -10.013  -1.424   5.403
  434   1HD   LYS  54          1HD       LYS  54 -11.684  -0.050   4.206
  435   2HD   LYS  54          2HD       LYS  54 -11.016  -0.590   2.665
  436   1HE   LYS  54          1HE       LYS  54 -12.865  -2.026   3.045
  437   2HE   LYS  54          2HE       LYS  54 -11.458  -2.982   3.512
  438   1HZ   LYS  54          1HZ       LYS  54 -12.828  -1.329   5.521
  439   2HZ   LYS  54          2HZ       LYS  54 -13.486  -2.834   5.088
  440   3HZ   LYS  54          3HZ       LYS  54 -11.921  -2.750   5.734
  441    H    SER  55           H        SER  55  -8.070  -2.177   6.627
  442    HA   SER  55           HA       SER  55  -9.672  -1.225   8.711
  443   1HB   SER  55          1HB       SER  55  -7.725  -3.355   9.372
  444   2HB   SER  55          2HB       SER  55  -9.464  -3.302   9.626
  445    HG   SER  55           HG       SER  55  -8.022  -4.300   7.540
  446    H    LYS  56           H        LYS  56  -6.215  -1.045   8.237
  447    HA   LYS  56           HA       LYS  56  -5.391  -0.539  10.881
  448   1HB   LYS  56          1HB       LYS  56  -4.223   0.555   8.309
  449   2HB   LYS  56          2HB       LYS  56  -3.414   0.518   9.876
  450   1HG   LYS  56          1HG       LYS  56  -3.929  -2.040   9.808
  451   2HG   LYS  56          2HG       LYS  56  -4.142  -1.782   8.077
  452   1HD   LYS  56          1HD       LYS  56  -1.851  -0.562   8.200
  453   2HD   LYS  56          2HD       LYS  56  -1.662  -1.396   9.744
  454   1HE   LYS  56          1HE       LYS  56  -2.510  -2.976   7.342
  455   2HE   LYS  56          2HE       LYS  56  -0.812  -2.528   7.512
  456   1HZ   LYS  56          1HZ       LYS  56  -2.428  -3.956   9.554
  457   2HZ   LYS  56          2HZ       LYS  56  -1.281  -4.674   8.526
  458   3HZ   LYS  56          3HZ       LYS  56  -0.789  -3.544   9.695
  459    H    ASP  57           H        ASP  57  -4.219   1.798  11.182
  460    HA   ASP  57           HA       ASP  57  -6.449   3.730  11.057
  461   1HB   ASP  57          1HB       ASP  57  -5.205   4.911  12.893
  462   2HB   ASP  57          2HB       ASP  57  -5.772   3.301  13.331
  463    H    TRP  58           H        TRP  58  -2.928   3.452  10.639
  464    HA   TRP  58           HA       TRP  58  -2.674   6.123   9.618
  465   1HB   TRP  58          1HB       TRP  58  -0.378   5.451   8.989
  466   2HB   TRP  58          2HB       TRP  58  -0.748   5.091  10.672
  467    HD1  TRP  58           HD1      TRP  58  -1.029   2.541  11.362
  468    HE1  TRP  58           HE1      TRP  58  -0.225   0.365  10.241
  469    HE3  TRP  58           HE3      TRP  58   0.013   4.293   6.687
  470    HZ2  TRP  58           HZ2      TRP  58   0.736  -0.519   7.683
  471    HZ3  TRP  58           HZ3      TRP  58   0.875   2.773   4.931
  472    HH2  TRP  58           HH2      TRP  58   1.234   0.371   5.423
  473    H    VAL  59           H        VAL  59  -3.417   3.015   8.254
  474    HA   VAL  59           HA       VAL  59  -2.800   3.697   5.535
  475    HB   VAL  59           HB       VAL  59  -4.673   1.568   6.605
  476   1HG1  VAL  59          1HG1      VAL  59  -3.733   2.355   3.910
  477   2HG1  VAL  59          2HG1      VAL  59  -3.619   0.631   4.264
  478   3HG1  VAL  59          3HG1      VAL  59  -5.174   1.455   4.381
  479   1HG2  VAL  59          1HG2      VAL  59  -1.725   1.480   5.892
  480   2HG2  VAL  59          2HG2      VAL  59  -2.407   1.324   7.511
  481   3HG2  VAL  59          3HG2      VAL  59  -2.707   0.074   6.303
  482    H    LYS  60           H        LYS  60  -5.577   3.972   7.658
  483    HA   LYS  60           HA       LYS  60  -7.513   4.582   5.663
  484   1HB   LYS  60          1HB       LYS  60  -7.895   3.922   8.133
  485   2HB   LYS  60          2HB       LYS  60  -7.610   5.627   8.487
  486   1HG   LYS  60          1HG       LYS  60  -9.481   6.326   7.223
  487   2HG   LYS  60          2HG       LYS  60  -9.592   4.782   6.375
  488   1HD   LYS  60          1HD       LYS  60 -10.012   3.767   8.729
  489   2HD   LYS  60          2HD       LYS  60 -10.365   5.425   9.216
  490   1HE   LYS  60          1HE       LYS  60 -12.481   4.801   8.551
  491   2HE   LYS  60          2HE       LYS  60 -11.858   5.344   6.993
  492   1HZ   LYS  60          1HZ       LYS  60 -11.610   2.545   7.928
  493   2HZ   LYS  60          2HZ       LYS  60 -12.940   3.092   7.025
  494   3HZ   LYS  60          3HZ       LYS  60 -11.378   3.145   6.358
  495    H    LYS  61           H        LYS  61  -5.390   6.563   7.695
  496    HA   LYS  61           HA       LYS  61  -6.369   9.089   6.899
  497   1HB   LYS  61          1HB       LYS  61  -3.626   8.246   7.860
  498   2HB   LYS  61          2HB       LYS  61  -4.108   9.925   7.617
  499   1HG   LYS  61          1HG       LYS  61  -5.936   9.656   9.234
  500   2HG   LYS  61          2HG       LYS  61  -5.505   7.959   9.457
  501   1HD   LYS  61          1HD       LYS  61  -4.317   8.835  11.218
  502   2HD   LYS  61          2HD       LYS  61  -3.106   9.062   9.956
  503   1HE   LYS  61          1HE       LYS  61  -3.254  11.174  11.034
  504   2HE   LYS  61          2HE       LYS  61  -4.197  11.356   9.555
  505   1HZ   LYS  61          1HZ       LYS  61  -5.492  10.473  12.050
  506   2HZ   LYS  61          2HZ       LYS  61  -5.206  12.124  11.774
  507   3HZ   LYS  61          3HZ       LYS  61  -6.180  11.244  10.702
  508    H    LEU  62           H        LEU  62  -3.735   7.077   5.618
  509    HA   LEU  62           HA       LEU  62  -2.850   8.863   3.619
  510   1HB   LEU  62          1HB       LEU  62  -2.849   5.849   3.587
  511   2HB   LEU  62          2HB       LEU  62  -1.931   6.874   2.508
  512    HG   LEU  62           HG       LEU  62  -1.541   7.032   5.487
  513   1HD1  LEU  62          1HD1      LEU  62  -0.497   5.002   3.520
  514   2HD1  LEU  62          2HD1      LEU  62   0.444   5.448   4.943
  515   3HD1  LEU  62          3HD1      LEU  62  -1.157   4.736   5.133
  516   1HD2  LEU  62          1HD2      LEU  62  -0.147   7.914   2.994
  517   2HD2  LEU  62          2HD2      LEU  62  -0.336   8.759   4.530
  518   3HD2  LEU  62          3HD2      LEU  62   0.857   7.469   4.375
  519    H    MET  63           H        MET  63  -5.232   6.263   3.586
  520    HA   MET  63           HA       MET  63  -5.957   6.245   0.904
  521   1HB   MET  63          1HB       MET  63  -7.443   5.660   3.439
  522   2HB   MET  63          2HB       MET  63  -8.318   5.684   1.908
  523   1HG   MET  63          1HG       MET  63  -6.248   4.191   1.127
  524   2HG   MET  63          2HG       MET  63  -6.187   3.812   2.848
  525   1HE   MET  63          1HE       MET  63  -6.737   2.650  -0.015
  526   2HE   MET  63          2HE       MET  63  -7.202   1.131   0.744
  527   3HE   MET  63          3HE       MET  63  -8.335   1.978  -0.318
  528    H    GLN  64           H        GLN  64  -6.854   8.494   3.444
  529    HA   GLN  64           HA       GLN  64  -8.724   9.897   1.678
  530   1HB   GLN  64          1HB       GLN  64  -8.885   9.463   4.319
  531   2HB   GLN  64          2HB       GLN  64  -8.016  10.998   4.348
  532   1HG   GLN  64          1HG       GLN  64 -10.136  11.859   4.228
  533   2HG   GLN  64          2HG       GLN  64  -9.897  11.591   2.502
  534   2HE2  GLN  64          2HE2      GLN  64 -11.950  10.854   5.111
  535   1HE2  GLN  64          1HE2      GLN  64 -12.780   9.552   4.403
  536    H    GLN  65           H        GLN  65  -5.523  10.219   3.062
  537    HA   GLN  65           HA       GLN  65  -5.171  12.983   2.408
  538   1HB   GLN  65          1HB       GLN  65  -3.392  10.756   3.303
  539   2HB   GLN  65          2HB       GLN  65  -2.656  12.203   2.617
  540   1HG   GLN  65          1HG       GLN  65  -4.795  12.737   4.586
  541   2HG   GLN  65          2HG       GLN  65  -3.372  11.935   5.249
  542   2HE2  GLN  65          2HE2      GLN  65  -3.614  14.368   2.606
  543   1HE2  GLN  65          1HE2      GLN  65  -2.586  15.495   3.350
  544    H    LEU  66           H        LEU  66  -4.583   9.938   0.756
  545    HA   LEU  66           HA       LEU  66  -3.420  11.399  -1.532
  546   1HB   LEU  66          1HB       LEU  66  -3.516   8.421  -1.092
  547   2HB   LEU  66          2HB       LEU  66  -2.596   9.283  -2.306
  548    HG   LEU  66           HG       LEU  66  -2.118   9.443   0.681
  549   1HD1  LEU  66          1HD1      LEU  66  -1.582   7.233  -0.442
  550   2HD1  LEU  66          2HD1      LEU  66  -0.432   8.109  -1.453
  551   3HD1  LEU  66          3HD1      LEU  66  -0.199   8.043   0.293
  552   1HD2  LEU  66          1HD2      LEU  66  -1.027  10.849  -1.708
  553   2HD2  LEU  66          2HD2      LEU  66  -1.193  11.419  -0.047
  554   3HD2  LEU  66          3HD2      LEU  66   0.140  10.350  -0.483
  555    HA   PRO  67           HA       PRO  67  -7.119  10.676  -3.812
  556   1HB   PRO  67          1HB       PRO  67  -6.165  10.615  -6.378
  557   2HB   PRO  67          2HB       PRO  67  -6.316  12.092  -5.412
  558   1HG   PRO  67          1HG       PRO  67  -3.884  10.560  -6.136
  559   2HG   PRO  67          2HG       PRO  67  -4.065  12.281  -5.764
  560   1HD   PRO  67          1HD       PRO  67  -3.066  10.289  -4.016
  561   2HD   PRO  67          2HD       PRO  67  -3.537  11.945  -3.565
  562    H    VAL  68           H        VAL  68  -4.993   8.904  -6.029
  563    HA   VAL  68           HA       VAL  68  -5.139   6.307  -5.291
  564    HB   VAL  68           HB       VAL  68  -7.836   7.223  -6.113
  565   1HG1  VAL  68          1HG1      VAL  68  -6.725   4.649  -7.276
  566   2HG1  VAL  68          2HG1      VAL  68  -8.438   5.062  -7.205
  567   3HG1  VAL  68          3HG1      VAL  68  -7.337   6.029  -8.187
  568   1HG2  VAL  68          1HG2      VAL  68  -6.801   5.915  -4.009
  569   2HG2  VAL  68          2HG2      VAL  68  -8.485   5.737  -4.498
  570   3HG2  VAL  68          3HG2      VAL  68  -7.293   4.528  -4.980
  571    H    THR  69           H        THR  69  -4.640   4.826  -7.029
  572    HA   THR  69           HA       THR  69  -2.972   5.952  -9.000
  573    HB   THR  69           HB       THR  69  -3.395   3.512 -10.032
  574    HG1  THR  69           HG1      THR  69  -4.845   2.598  -8.810
  575   1HG2  THR  69          1HG2      THR  69  -1.314   4.464  -8.979
  576   2HG2  THR  69          2HG2      THR  69  -1.932   3.932  -7.416
  577   3HG2  THR  69          3HG2      THR  69  -1.560   2.746  -8.667
  578    H    ALA  70           H        ALA  70  -3.910   7.386 -10.376
  579    HA   ALA  70           HA       ALA  70  -5.600   6.294 -12.465
  580   1HB   ALA  70          1HB       ALA  70  -7.278   8.187 -12.189
  581   2HB   ALA  70          2HB       ALA  70  -7.378   6.894 -10.994
  582   3HB   ALA  70          3HB       ALA  70  -6.607   8.425 -10.576
  583    H    ARG  71           H        ARG  71  -6.098   8.051 -14.116
  584    HA   ARG  71           HA       ARG  71  -4.441  10.397 -14.144
  585   1HB   ARG  71          1HB       ARG  71  -2.824   8.488 -14.663
  586   2HB   ARG  71          2HB       ARG  71  -3.716   8.283 -16.171
  587   1HG   ARG  71          1HG       ARG  71  -2.875  11.054 -15.488
  588   2HG   ARG  71          2HG       ARG  71  -1.599   9.934 -15.966
  589   1HD   ARG  71          1HD       ARG  71  -3.023   9.340 -17.977
  590   2HD   ARG  71          2HD       ARG  71  -4.072  10.683 -17.540
  591    HE   ARG  71           HE       ARG  71  -2.494  12.108 -18.445
  592   1HH1  ARG  71          1HH1      ARG  71  -0.956   9.065 -17.649
  593   2HH1  ARG  71          2HH1      ARG  71   0.562   9.522 -18.337
  594   1HH2  ARG  71          1HH2      ARG  71  -0.495  12.663 -19.332
  595   2HH2  ARG  71          2HH2      ARG  71   0.823  11.541 -19.283

  No H/Q in entry =         595
  Start of MODEL   28
    1    H1   LEU   1           H1       LEU   1  14.838 -11.351 -23.004
    2    H2   LEU   1           H2       LEU   1  16.313 -12.177 -22.834
    3    H3   LEU   1           H3       LEU   1  16.034 -11.203 -24.199
    4    HA   LEU   1           HA       LEU   1  14.301 -12.682 -24.961
    5   1HB   LEU   1          1HB       LEU   1  16.987 -13.886 -24.273
    6   2HB   LEU   1          2HB       LEU   1  15.789 -14.764 -25.225
    7    HG   LEU   1           HG       LEU   1  16.571 -11.958 -25.980
    8   1HD1  LEU   1          1HD1      LEU   1  18.631 -13.422 -25.746
    9   2HD1  LEU   1          2HD1      LEU   1  17.940 -14.465 -26.990
   10   3HD1  LEU   1          3HD1      LEU   1  18.350 -12.792 -27.369
   11   1HD2  LEU   1          1HD2      LEU   1  14.584 -13.343 -26.939
   12   2HD2  LEU   1          2HD2      LEU   1  15.663 -12.537 -28.077
   13   3HD2  LEU   1          3HD2      LEU   1  15.833 -14.266 -27.775
   14    H    GLY   2           H        GLY   2  12.543 -13.220 -23.759
   15   1HA   GLY   2          1HA       GLY   2  12.445 -15.725 -22.454
   16   2HA   GLY   2          2HA       GLY   2  11.181 -14.500 -22.411
   17    H    ALA   3           H        ALA   3  12.520 -12.405 -21.195
   18    HA   ALA   3           HA       ALA   3  13.228 -13.520 -18.544
   19   1HB   ALA   3          1HB       ALA   3  15.098 -12.302 -19.567
   20   2HB   ALA   3          2HB       ALA   3  14.069 -10.885 -19.778
   21   3HB   ALA   3          3HB       ALA   3  14.489 -11.437 -18.157
   22    H    SER   4           H        SER   4  11.567 -10.898 -20.249
   23    HA   SER   4           HA       SER   4   9.850  -9.500 -19.642
   24   1HB   SER   4          1HB       SER   4   8.015 -10.487 -18.544
   25   2HB   SER   4          2HB       SER   4   8.815 -11.836 -19.342
   26    HG   SER   4           HG       SER   4   8.534 -12.512 -17.291
   27    H    TRP   5           H        TRP   5   8.700  -8.512 -17.615
   28    HA   TRP   5           HA       TRP   5  10.540  -8.256 -15.343
   29   1HB   TRP   5          1HB       TRP   5  10.883  -6.446 -17.240
   30   2HB   TRP   5          2HB       TRP   5   9.448  -5.729 -16.508
   31    HD1  TRP   5           HD1      TRP   5  13.040  -6.772 -15.644
   32    HE1  TRP   5           HE1      TRP   5  13.795  -5.456 -13.560
   33    HE3  TRP   5           HE3      TRP   5   8.665  -4.422 -14.452
   34    HZ2  TRP   5           HZ2      TRP   5  12.689  -3.646 -11.639
   35    HZ3  TRP   5           HZ3      TRP   5   8.544  -2.909 -12.492
   36    HH2  TRP   5           HH2      TRP   5  10.549  -2.519 -11.086
   37    H    HIS   6           H        HIS   6   8.904  -9.343 -14.176
   38    HA   HIS   6           HA       HIS   6   7.050  -7.662 -12.865
   39   1HB   HIS   6          1HB       HIS   6   4.939  -8.747 -13.661
   40   2HB   HIS   6          2HB       HIS   6   5.726  -7.754 -14.888
   41    HD1  HIS   6           HD1      HIS   6   5.802  -8.886 -17.096
   42    HD2  HIS   6           HD2      HIS   6   6.035 -11.638 -13.972
   43    HE1  HIS   6           HE1      HIS   6   5.966 -11.174 -18.168
   44    H    ARG   7           H        ARG   7   5.876  -8.758 -11.203
   45    HA   ARG   7           HA       ARG   7   6.923 -11.472 -10.645
   46   1HB   ARG   7          1HB       ARG   7   6.380  -9.134  -8.829
   47   2HB   ARG   7          2HB       ARG   7   6.400 -10.783  -8.203
   48   1HG   ARG   7          1HG       ARG   7   8.631 -10.153  -7.929
   49   2HG   ARG   7          2HG       ARG   7   8.677 -10.953  -9.501
   50   1HD   ARG   7          1HD       ARG   7   8.550  -8.822 -10.651
   51   2HD   ARG   7          2HD       ARG   7   8.305  -7.969  -9.131
   52    HE   ARG   7           HE       ARG   7  10.704  -9.265  -8.799
   53   1HH1  ARG   7          1HH1      ARG   7   9.406  -7.042 -11.172
   54   2HH1  ARG   7          2HH1      ARG   7  10.949  -6.351 -11.535
   55   1HH2  ARG   7          1HH2      ARG   7  12.696  -8.336  -9.303
   56   2HH2  ARG   7          2HH2      ARG   7  12.797  -7.075 -10.487
   57    HA   PRO   8           HA       PRO   8   2.699 -12.755 -10.395
   58   1HB   PRO   8          1HB       PRO   8   2.939 -14.948  -8.783
   59   2HB   PRO   8          2HB       PRO   8   3.482 -14.903 -10.467
   60   1HG   PRO   8          1HG       PRO   8   5.080 -14.873  -7.980
   61   2HG   PRO   8          2HG       PRO   8   5.532 -15.408  -9.604
   62   1HD   PRO   8          1HD       PRO   8   6.223 -12.935  -8.372
   63   2HD   PRO   8          2HD       PRO   8   6.491 -13.391 -10.070
   64    H    ASP   9           H        ASP   9   1.142 -13.813  -8.546
   65    HA   ASP   9           HA       ASP   9  -0.147 -13.374  -6.692
   66   1HB   ASP   9          1HB       ASP   9   2.630 -12.854  -5.730
   67   2HB   ASP   9          2HB       ASP   9   1.287 -12.320  -4.717
   68    H    LYS  10           H        LYS  10  -1.560 -11.813  -7.215
   69    HA   LYS  10           HA       LYS  10  -0.641  -9.006  -7.167
   70   1HB   LYS  10          1HB       LYS  10  -2.805 -10.449  -8.628
   71   2HB   LYS  10          2HB       LYS  10  -3.094  -8.767  -8.179
   72   1HG   LYS  10          1HG       LYS  10  -0.592  -8.525  -9.150
   73   2HG   LYS  10          2HG       LYS  10  -1.135  -9.902 -10.110
   74   1HD   LYS  10          1HD       LYS  10  -3.190  -8.577 -10.714
   75   2HD   LYS  10          2HD       LYS  10  -2.463  -7.185  -9.908
   76   1HE   LYS  10          1HE       LYS  10  -2.020  -7.135 -12.338
   77   2HE   LYS  10          2HE       LYS  10  -0.524  -7.310 -11.423
   78   1HZ   LYS  10          1HZ       LYS  10  -2.005  -9.658 -12.439
   79   2HZ   LYS  10          2HZ       LYS  10  -0.865  -8.842 -13.400
   80   3HZ   LYS  10          3HZ       LYS  10  -0.382  -9.563 -11.943
   81    H    CYS  11           H        CYS  11  -2.913 -11.290  -5.785
   82    HA   CYS  11           HA       CYS  11  -4.581  -9.499  -4.398
   83   1HB   CYS  11          1HB       CYS  11  -3.752 -12.283  -3.545
   84   2HB   CYS  11          2HB       CYS  11  -5.173 -11.397  -2.991
   85    H    CYS  12           H        CYS  12  -1.395 -10.769  -3.682
   86    HA   CYS  12           HA       CYS  12   0.143 -10.246  -2.054
   87   1HB   CYS  12          1HB       CYS  12  -0.711  -7.878  -2.828
   88   2HB   CYS  12          2HB       CYS  12  -1.468  -7.857  -1.235
   89    H    LEU  13           H        LEU  13  -0.062 -11.816  -0.551
   90    HA   LEU  13           HA       LEU  13  -2.285 -11.871   1.307
   91   1HB   LEU  13          1HB       LEU  13   0.241 -13.510   1.146
   92   2HB   LEU  13          2HB       LEU  13  -1.032 -13.776   2.317
   93    HG   LEU  13           HG       LEU  13  -2.597 -14.168   0.360
   94   1HD1  LEU  13          1HD1      LEU  13   0.046 -13.904  -1.066
   95   2HD1  LEU  13          2HD1      LEU  13  -1.242 -14.908  -1.732
   96   3HD1  LEU  13          3HD1      LEU  13  -1.508 -13.183  -1.482
   97   1HD2  LEU  13          1HD2      LEU  13  -0.222 -15.901   1.015
   98   2HD2  LEU  13          2HD2      LEU  13  -1.912 -16.121   1.471
   99   3HD2  LEU  13          3HD2      LEU  13  -1.398 -16.431  -0.188
  100    H    GLY  14           H        GLY  14   1.086 -10.898   1.299
  101   1HA   GLY  14          1HA       GLY  14   2.439 -10.191   3.098
  102   2HA   GLY  14          2HA       GLY  14   1.050 -10.334   4.171
  103    H    TYR  15           H        TYR  15   1.462  -8.254   5.027
  104    HA   TYR  15           HA       TYR  15   0.976  -6.004   3.174
  105   1HB   TYR  15          1HB       TYR  15  -0.321  -6.472   5.867
  106   2HB   TYR  15          2HB       TYR  15  -0.388  -4.942   4.991
  107    HD1  TYR  15           HD1      TYR  15  -1.153  -8.587   4.646
  108    HD2  TYR  15           HD2      TYR  15  -1.991  -4.596   3.304
  109    HE1  TYR  15           HE1      TYR  15  -3.042  -9.441   3.285
  110    HE2  TYR  15           HE2      TYR  15  -3.879  -5.446   1.942
  111    HH   TYR  15           HH       TYR  15  -5.445  -7.599   2.118
  112    H    GLN  16           H        GLN  16   1.416  -3.857   4.405
  113    HA   GLN  16           HA       GLN  16   4.144  -3.814   5.109
  114   1HB   GLN  16          1HB       GLN  16   2.310  -1.888   4.449
  115   2HB   GLN  16          2HB       GLN  16   2.519  -1.591   6.173
  116   1HG   GLN  16          1HG       GLN  16   4.786  -1.815   4.167
  117   2HG   GLN  16          2HG       GLN  16   4.140  -0.298   4.793
  118   2HE2  GLN  16          2HE2      GLN  16   5.942  -3.231   5.713
  119   1HE2  GLN  16          1HE2      GLN  16   6.554  -2.596   7.162
  120    H    LYS  17           H        LYS  17   1.216  -3.641   7.084
  121    HA   LYS  17           HA       LYS  17   0.815  -4.166   9.283
  122   1HB   LYS  17          1HB       LYS  17   2.416  -6.114   8.673
  123   2HB   LYS  17          2HB       LYS  17   3.617  -5.203   9.589
  124   1HG   LYS  17          1HG       LYS  17   1.571  -5.076  11.334
  125   2HG   LYS  17          2HG       LYS  17   1.166  -6.598  10.541
  126   1HD   LYS  17          1HD       LYS  17   3.691  -7.170  10.901
  127   2HD   LYS  17          2HD       LYS  17   3.632  -5.888  12.111
  128   1HE   LYS  17          1HE       LYS  17   3.048  -7.718  13.414
  129   2HE   LYS  17          2HE       LYS  17   1.453  -7.169  12.898
  130   1HZ   LYS  17          1HZ       LYS  17   3.035  -9.217  11.449
  131   2HZ   LYS  17          2HZ       LYS  17   1.853  -9.589  12.612
  132   3HZ   LYS  17          3HZ       LYS  17   1.416  -8.787  11.179
  133    H    ARG  18           H        ARG  18   2.717  -1.761   8.305
  134    HA   ARG  18           HA       ARG  18   2.976  -0.689  11.003
  135   1HB   ARG  18          1HB       ARG  18   5.260  -1.263   9.167
  136   2HB   ARG  18          2HB       ARG  18   5.318   0.209  10.133
  137   1HG   ARG  18          1HG       ARG  18   4.444  -2.068  11.728
  138   2HG   ARG  18          2HG       ARG  18   6.004  -2.378  10.974
  139   1HD   ARG  18          1HD       ARG  18   5.694   0.316  12.152
  140   2HD   ARG  18          2HD       ARG  18   5.689  -1.010  13.309
  141    HE   ARG  18           HE       ARG  18   7.840  -1.440  11.573
  142   1HH1  ARG  18          1HH1      ARG  18   6.820   0.936  13.932
  143   2HH1  ARG  18          2HH1      ARG  18   8.438   1.380  14.353
  144   1HH2  ARG  18          1HH2      ARG  18   9.934  -0.833  12.151
  145   2HH2  ARG  18          2HH2      ARG  18  10.187   0.388  13.354
  146    HA   PRO  19           HA       PRO  19   1.688   2.892   8.724
  147   1HB   PRO  19          1HB       PRO  19   2.050   4.785  10.658
  148   2HB   PRO  19          2HB       PRO  19   0.731   3.606  10.670
  149   1HG   PRO  19          1HG       PRO  19   3.140   3.730  12.364
  150   2HG   PRO  19          2HG       PRO  19   1.591   2.930  12.665
  151   1HD   PRO  19          1HD       PRO  19   4.034   1.707  11.806
  152   2HD   PRO  19          2HD       PRO  19   2.444   0.931  11.994
  153    H    LEU  20           H        LEU  20   2.714   4.004   7.172
  154    HA   LEU  20           HA       LEU  20   5.484   4.913   7.655
  155   1HB   LEU  20          1HB       LEU  20   4.412   5.196   4.934
  156   2HB   LEU  20          2HB       LEU  20   5.948   4.564   5.476
  157    HG   LEU  20           HG       LEU  20   3.321   3.068   5.330
  158   1HD1  LEU  20          1HD1      LEU  20   5.023   3.632   3.304
  159   2HD1  LEU  20          2HD1      LEU  20   5.791   2.177   3.937
  160   3HD1  LEU  20          3HD1      LEU  20   4.113   2.126   3.400
  161   1HD2  LEU  20          1HD2      LEU  20   5.240   2.618   7.210
  162   2HD2  LEU  20          2HD2      LEU  20   4.243   1.345   6.510
  163   3HD2  LEU  20          3HD2      LEU  20   5.864   1.641   5.881
  164    HA   PRO  21           HA       PRO  21   4.200   9.136   7.383
  165   1HB   PRO  21          1HB       PRO  21   6.261  10.328   6.034
  166   2HB   PRO  21          2HB       PRO  21   6.376   9.752   7.708
  167   1HG   PRO  21          1HG       PRO  21   7.555   8.610   5.256
  168   2HG   PRO  21          2HG       PRO  21   8.055   8.417   6.940
  169   1HD   PRO  21          1HD       PRO  21   6.583   6.542   5.363
  170   2HD   PRO  21          2HD       PRO  21   6.949   6.429   7.101
  171    H    GLN  22           H        GLN  22   2.726  10.188   6.202
  172    HA   GLN  22           HA       GLN  22   2.041   9.491   3.559
  173   1HB   GLN  22          1HB       GLN  22   0.485  10.561   5.189
  174   2HB   GLN  22          2HB       GLN  22   1.380  12.068   5.007
  175   1HG   GLN  22          1HG       GLN  22   0.470  10.755   2.496
  176   2HG   GLN  22          2HG       GLN  22  -0.781  11.478   3.506
  177   2HE2  GLN  22          2HE2      GLN  22  -0.847  12.971   1.456
  178   1HE2  GLN  22          1HE2      GLN  22   0.172  14.328   1.484
  179    H    VAL  23           H        VAL  23   4.194  11.908   4.878
  180    HA   VAL  23           HA       VAL  23   4.480  13.560   2.631
  181    HB   VAL  23           HB       VAL  23   5.331  14.269   4.779
  182   1HG1  VAL  23          1HG1      VAL  23   6.954  11.742   4.579
  183   2HG1  VAL  23          2HG1      VAL  23   7.465  13.069   5.620
  184   3HG1  VAL  23          3HG1      VAL  23   5.911  12.284   5.893
  185   1HG2  VAL  23          1HG2      VAL  23   6.577  15.025   2.726
  186   2HG2  VAL  23          2HG2      VAL  23   7.554  15.020   4.195
  187   3HG2  VAL  23          3HG2      VAL  23   7.732  13.723   3.014
  188    H    LEU  24           H        LEU  24   5.879  10.465   3.423
  189    HA   LEU  24           HA       LEU  24   7.773  10.538   1.225
  190   1HB   LEU  24          1HB       LEU  24   8.568   9.295   3.023
  191   2HB   LEU  24          2HB       LEU  24   7.004   8.604   3.371
  192    HG   LEU  24           HG       LEU  24   8.858   7.056   2.485
  193   1HD1  LEU  24          1HD1      LEU  24   6.183   6.862   2.486
  194   2HD1  LEU  24          2HD1      LEU  24   6.448   6.819   0.744
  195   3HD1  LEU  24          3HD1      LEU  24   7.211   5.613   1.782
  196   1HD2  LEU  24          1HD2      LEU  24   8.961   8.926   0.439
  197   2HD2  LEU  24          2HD2      LEU  24   9.633   7.298   0.366
  198   3HD2  LEU  24          3HD2      LEU  24   8.023   7.618  -0.277
  199    H    LEU  25           H        LEU  25   4.742   8.956   2.043
  200    HA   LEU  25           HA       LEU  25   4.488   7.345  -0.241
  201   1HB   LEU  25          1HB       LEU  25   3.080   7.604   2.033
  202   2HB   LEU  25          2HB       LEU  25   2.019   8.459   0.939
  203    HG   LEU  25           HG       LEU  25   1.705   6.491  -0.408
  204   1HD1  LEU  25          1HD1      LEU  25   4.117   5.571   1.070
  205   2HD1  LEU  25          2HD1      LEU  25   2.901   4.342   0.719
  206   3HD1  LEU  25          3HD1      LEU  25   3.632   5.260  -0.596
  207   1HD2  LEU  25          1HD2      LEU  25   1.499   6.173   2.575
  208   2HD2  LEU  25          2HD2      LEU  25   0.212   6.381   1.387
  209   3HD2  LEU  25          3HD2      LEU  25   1.042   4.832   1.524
  210    H    SER  26           H        SER  26   2.930   7.560  -2.007
  211    HA   SER  26           HA       SER  26   2.656  10.379  -2.887
  212   1HB   SER  26          1HB       SER  26   4.305   8.668  -4.099
  213   2HB   SER  26          2HB       SER  26   2.812   8.199  -4.909
  214    HG   SER  26           HG       SER  26   3.839   9.896  -6.013
  215    H    SER  27           H        SER  27   1.427   7.157  -3.833
  216    HA   SER  27           HA       SER  27  -1.328   8.045  -3.413
  217   1HB   SER  27          1HB       SER  27  -0.869   6.834  -6.075
  218   2HB   SER  27          2HB       SER  27  -2.026   8.063  -5.583
  219    HG   SER  27           HG       SER  27  -0.648   9.346  -6.536
  220    H    TRP  28           H        TRP  28  -2.588   5.949  -4.792
  221    HA   TRP  28           HA       TRP  28  -1.341   3.441  -4.046
  222   1HB   TRP  28          1HB       TRP  28  -3.355   2.792  -2.609
  223   2HB   TRP  28          2HB       TRP  28  -2.163   3.857  -1.881
  224    HD1  TRP  28           HD1      TRP  28  -2.790   6.539  -1.888
  225    HE1  TRP  28           HE1      TRP  28  -5.093   7.677  -1.648
  226    HE3  TRP  28           HE3      TRP  28  -5.842   2.607  -3.051
  227    HZ2  TRP  28           HZ2      TRP  28  -7.860   6.999  -1.926
  228    HZ3  TRP  28           HZ3      TRP  28  -8.299   2.883  -3.053
  229    HH2  TRP  28           HH2      TRP  28  -9.311   5.070  -2.489
  230    H    TYR  29           H        TYR  29  -2.427   1.610  -4.808
  231    HA   TYR  29           HA       TYR  29  -4.745   2.143  -6.548
  232   1HB   TYR  29          1HB       TYR  29  -3.850   0.791  -8.330
  233   2HB   TYR  29          2HB       TYR  29  -2.657   2.018  -7.927
  234    HD1  TYR  29           HD1      TYR  29  -0.701   1.356  -6.388
  235    HD2  TYR  29           HD2      TYR  29  -3.331  -1.506  -8.219
  236    HE1  TYR  29           HE1      TYR  29   0.984  -0.424  -6.031
  237    HE2  TYR  29           HE2      TYR  29  -1.643  -3.286  -7.859
  238    HH   TYR  29           HH       TYR  29   0.837  -3.429  -7.550
  239    HA   PRO  30           HA       PRO  30  -6.250  -1.394  -4.343
  240   1HB   PRO  30          1HB       PRO  30  -8.492  -1.896  -5.823
  241   2HB   PRO  30          2HB       PRO  30  -8.348  -0.557  -4.674
  242   1HG   PRO  30          1HG       PRO  30  -8.323  -0.503  -7.633
  243   2HG   PRO  30          2HG       PRO  30  -8.798   0.758  -6.487
  244   1HD   PRO  30          1HD       PRO  30  -6.339   0.603  -7.895
  245   2HD   PRO  30          2HD       PRO  30  -6.721   1.703  -6.551
  246    H    THR  31           H        THR  31  -6.345  -3.639  -4.433
  247    HA   THR  31           HA       THR  31  -5.278  -4.851  -6.901
  248    HB   THR  31           HB       THR  31  -3.913  -5.198  -4.898
  249    HG1  THR  31           HG1      THR  31  -3.849  -6.920  -6.232
  250   1HG2  THR  31          1HG2      THR  31  -6.508  -6.245  -3.769
  251   2HG2  THR  31          2HG2      THR  31  -4.946  -6.673  -3.073
  252   3HG2  THR  31          3HG2      THR  31  -5.461  -4.986  -3.113
  253    H    SER  32           H        SER  32  -5.965  -7.428  -6.681
  254    HA   SER  32           HA       SER  32  -8.607  -7.544  -7.617
  255   1HB   SER  32          1HB       SER  32  -6.583  -9.555  -6.766
  256   2HB   SER  32          2HB       SER  32  -8.255 -10.089  -6.897
  257    HG   SER  32           HG       SER  32  -7.949 -10.114  -8.966
  258    H    GLN  33           H        GLN  33 -10.538  -8.130  -6.700
  259    HA   GLN  33           HA       GLN  33 -10.688  -7.849  -3.784
  260   1HB   GLN  33          1HB       GLN  33 -12.176  -6.549  -5.430
  261   2HB   GLN  33          2HB       GLN  33 -13.035  -8.073  -5.658
  262   1HG   GLN  33          1HG       GLN  33 -14.222  -6.998  -3.916
  263   2HG   GLN  33          2HG       GLN  33 -13.185  -8.155  -3.081
  264   2HE2  GLN  33          2HE2      GLN  33 -13.238  -4.708  -4.119
  265   1HE2  GLN  33          1HE2      GLN  33 -12.293  -4.151  -2.824
  266    H    LEU  34           H        LEU  34 -11.154 -10.203  -6.320
  267    HA   LEU  34           HA       LEU  34 -12.523 -12.085  -4.582
  268   1HB   LEU  34          1HB       LEU  34 -11.419 -12.430  -7.369
  269   2HB   LEU  34          2HB       LEU  34 -12.387 -13.608  -6.514
  270    HG   LEU  34           HG       LEU  34 -13.838 -12.524  -8.054
  271   1HD1  LEU  34          1HD1      LEU  34 -14.511 -12.702  -5.521
  272   2HD1  LEU  34          2HD1      LEU  34 -14.422 -10.941  -5.567
  273   3HD1  LEU  34          3HD1      LEU  34 -15.540 -11.796  -6.630
  274   1HD2  LEU  34          1HD2      LEU  34 -12.132 -10.465  -8.060
  275   2HD2  LEU  34          2HD2      LEU  34 -13.807 -10.276  -8.581
  276   3HD2  LEU  34          3HD2      LEU  34 -13.329  -9.794  -6.952
  277    H    CYS  35           H        CYS  35 -10.426 -11.619  -3.176
  278    HA   CYS  35           HA       CYS  35  -8.621 -13.911  -3.654
  279   1HB   CYS  35          1HB       CYS  35  -7.790 -11.216  -2.549
  280   2HB   CYS  35          2HB       CYS  35  -6.742 -12.615  -2.792
  281    H    SER  36           H        SER  36  -7.508 -14.622  -1.647
  282    HA   SER  36           HA       SER  36  -9.363 -15.152   0.409
  283   1HB   SER  36          1HB       SER  36  -7.252 -16.473  -0.173
  284   2HB   SER  36          2HB       SER  36  -6.367 -15.264   0.752
  285    HG   SER  36           HG       SER  36  -6.981 -16.302   2.461
  286    H    LYS  37           H        LYS  37  -6.926 -12.663   0.012
  287    HA   LYS  37           HA       LYS  37  -8.109 -11.144   2.197
  288   1HB   LYS  37          1HB       LYS  37  -5.878 -10.745   3.265
  289   2HB   LYS  37          2HB       LYS  37  -6.463 -12.399   3.442
  290   1HG   LYS  37          1HG       LYS  37  -5.081 -12.562   1.073
  291   2HG   LYS  37          2HG       LYS  37  -4.121 -11.380   1.962
  292   1HD   LYS  37          1HD       LYS  37  -4.964 -14.075   3.067
  293   2HD   LYS  37          2HD       LYS  37  -3.382 -13.736   2.367
  294   1HE   LYS  37          1HE       LYS  37  -2.694 -12.513   4.174
  295   2HE   LYS  37          2HE       LYS  37  -4.302 -11.852   4.470
  296   1HZ   LYS  37          1HZ       LYS  37  -3.577 -14.677   5.000
  297   2HZ   LYS  37          2HZ       LYS  37  -3.488 -13.458   6.177
  298   3HZ   LYS  37          3HZ       LYS  37  -4.987 -13.862   5.483
  299    HA   PRO  38           HA       PRO  38  -6.633  -8.497  -1.244
  300   1HB   PRO  38          1HB       PRO  38  -8.902  -6.989  -1.439
  301   2HB   PRO  38          2HB       PRO  38  -8.680  -8.542  -2.260
  302   1HG   PRO  38          1HG       PRO  38 -10.351  -7.886   0.089
  303   2HG   PRO  38          2HG       PRO  38 -10.528  -9.191  -1.092
  304   1HD   PRO  38          1HD       PRO  38  -9.457  -9.410   1.537
  305   2HD   PRO  38          2HD       PRO  38  -9.442 -10.661   0.272
  306    H    GLY  39           H        GLY  39  -6.988  -5.922  -1.412
  307   1HA   GLY  39          1HA       GLY  39  -5.704  -4.807   0.889
  308   2HA   GLY  39          2HA       GLY  39  -7.382  -4.283   0.777
  309    H    VAL  40           H        VAL  40  -4.572  -3.034   0.312
  310    HA   VAL  40           HA       VAL  40  -4.811  -2.136  -2.458
  311    HB   VAL  40           HB       VAL  40  -4.856  -0.107  -0.220
  312   1HG1  VAL  40          1HG1      VAL  40  -4.004   0.179  -2.784
  313   2HG1  VAL  40          2HG1      VAL  40  -5.717   0.536  -2.975
  314   3HG1  VAL  40          3HG1      VAL  40  -4.740   1.476  -1.849
  315   1HG2  VAL  40          1HG2      VAL  40  -7.098  -1.191  -1.939
  316   2HG2  VAL  40          2HG2      VAL  40  -6.989  -1.231  -0.179
  317   3HG2  VAL  40          3HG2      VAL  40  -7.213   0.306  -1.013
  318    H    ILE  41           H        ILE  41  -2.918  -1.412  -3.297
  319    HA   ILE  41           HA       ILE  41  -0.560  -1.650  -1.555
  320    HB   ILE  41           HB       ILE  41  -0.931  -1.865  -4.548
  321   1HG1  ILE  41          1HG1      ILE  41   0.192  -4.112  -4.003
  322   2HG1  ILE  41          2HG1      ILE  41  -0.128  -3.725  -2.312
  323   1HG2  ILE  41          1HG2      ILE  41   1.182  -0.636  -4.073
  324   2HG2  ILE  41          2HG2      ILE  41   1.674  -1.941  -2.992
  325   3HG2  ILE  41          3HG2      ILE  41   1.494  -2.248  -4.719
  326   1HD1  ILE  41          1HD1      ILE  41  -2.407  -3.415  -4.197
  327   2HD1  ILE  41          2HD1      ILE  41  -1.893  -5.065  -3.844
  328   3HD1  ILE  41          3HD1      ILE  41  -2.394  -3.998  -2.533
  329    H    PHE  42           H        PHE  42   0.018   0.243  -0.710
  330    HA   PHE  42           HA       PHE  42  -0.502   2.757  -2.055
  331   1HB   PHE  42          1HB       PHE  42   0.604   1.922   0.593
  332   2HB   PHE  42          2HB       PHE  42   1.046   3.517  -0.014
  333    HD1  PHE  42           HD1      PHE  42  -1.807   1.323   0.898
  334    HD2  PHE  42           HD2      PHE  42  -0.548   5.303  -0.115
  335    HE1  PHE  42           HE1      PHE  42  -4.028   2.200   1.579
  336    HE2  PHE  42           HE2      PHE  42  -2.766   6.178   0.562
  337    HZ   PHE  42           HZ       PHE  42  -4.509   4.629   1.414
  338    H    LEU  43           H        LEU  43   0.829   3.706  -3.466
  339    HA   LEU  43           HA       LEU  43   3.546   2.641  -3.785
  340   1HB   LEU  43          1HB       LEU  43   3.524   4.234  -5.789
  341   2HB   LEU  43          2HB       LEU  43   2.541   2.789  -5.868
  342    HG   LEU  43           HG       LEU  43   1.216   5.261  -4.874
  343   1HD1  LEU  43          1HD1      LEU  43   2.566   6.084  -6.777
  344   2HD1  LEU  43          2HD1      LEU  43   1.908   4.802  -7.793
  345   3HD1  LEU  43          3HD1      LEU  43   0.848   6.068  -7.174
  346   1HD2  LEU  43          1HD2      LEU  43   0.189   2.925  -5.224
  347   2HD2  LEU  43          2HD2      LEU  43  -0.684   4.288  -5.924
  348   3HD2  LEU  43          3HD2      LEU  43   0.314   3.259  -6.951
  349    H    THR  44           H        THR  44   5.282   3.667  -3.027
  350    HA   THR  44           HA       THR  44   4.957   6.232  -1.726
  351    HB   THR  44           HB       THR  44   7.233   5.945  -0.984
  352    HG1  THR  44           HG1      THR  44   7.275   3.892  -2.932
  353   1HG2  THR  44          1HG2      THR  44   5.591   3.412  -0.999
  354   2HG2  THR  44          2HG2      THR  44   7.098   3.549  -0.094
  355   3HG2  THR  44          3HG2      THR  44   5.740   4.604   0.292
  356    H    LYS  45           H        LYS  45   6.625   7.962  -2.137
  357    HA   LYS  45           HA       LYS  45   6.391   8.941  -4.755
  358   1HB   LYS  45          1HB       LYS  45   8.183   9.660  -2.448
  359   2HB   LYS  45          2HB       LYS  45   8.360  10.457  -4.012
  360   1HG   LYS  45          1HG       LYS  45   6.322  11.523  -3.858
  361   2HG   LYS  45          2HG       LYS  45   5.605  10.237  -2.886
  362   1HD   LYS  45          1HD       LYS  45   5.869  11.764  -1.200
  363   2HD   LYS  45          2HD       LYS  45   7.502  11.098  -1.162
  364   1HE   LYS  45          1HE       LYS  45   6.968  13.306  -3.097
  365   2HE   LYS  45          2HE       LYS  45   7.063  13.730  -1.388
  366   1HZ   LYS  45          1HZ       LYS  45   9.119  12.175  -2.860
  367   2HZ   LYS  45          2HZ       LYS  45   9.224  13.833  -2.520
  368   3HZ   LYS  45          3HZ       LYS  45   9.215  12.705  -1.249
  369    H    ARG  46           H        ARG  46   9.352   7.761  -3.147
  370    HA   ARG  46           HA       ARG  46  10.322   6.871  -5.798
  371   1HB   ARG  46          1HB       ARG  46  11.455   8.958  -4.957
  372   2HB   ARG  46          2HB       ARG  46  12.065   7.996  -3.609
  373   1HG   ARG  46          1HG       ARG  46  13.471   6.741  -4.959
  374   2HG   ARG  46          2HG       ARG  46  12.463   6.961  -6.390
  375   1HD   ARG  46          1HD       ARG  46  14.213   9.068  -5.092
  376   2HD   ARG  46          2HD       ARG  46  14.526   8.255  -6.622
  377    HE   ARG  46           HE       ARG  46  12.061   9.388  -6.981
  378   1HH1  ARG  46          1HH1      ARG  46  15.184  10.605  -5.966
  379   2HH1  ARG  46          2HH1      ARG  46  14.905  12.185  -6.612
  380   1HH2  ARG  46          1HH2      ARG  46  11.740  11.462  -7.809
  381   2HH2  ARG  46          2HH2      ARG  46  12.973  12.667  -7.647
  382    H    GLY  47           H        GLY  47   9.379   5.812  -2.798
  383   1HA   GLY  47          1HA       GLY  47   9.937   4.012  -1.454
  384   2HA   GLY  47          2HA       GLY  47  11.484   3.912  -2.290
  385    H    ARG  48           H        ARG  48   8.475   2.492  -1.863
  386    HA   ARG  48           HA       ARG  48   8.374   1.155  -4.451
  387   1HB   ARG  48          1HB       ARG  48   9.486  -0.102  -2.009
  388   2HB   ARG  48          2HB       ARG  48   8.320  -1.075  -2.903
  389   1HG   ARG  48          1HG       ARG  48  10.151  -1.660  -4.135
  390   2HG   ARG  48          2HG       ARG  48   9.831  -0.133  -4.957
  391   1HD   ARG  48          1HD       ARG  48  11.289   0.779  -2.876
  392   2HD   ARG  48          2HD       ARG  48  11.978  -0.833  -3.026
  393    HE   ARG  48           HE       ARG  48  11.795   0.563  -5.547
  394   1HH1  ARG  48          1HH1      ARG  48  13.724   0.086  -2.665
  395   2HH1  ARG  48          2HH1      ARG  48  15.200   0.550  -3.439
  396   1HH2  ARG  48          1HH2      ARG  48  13.742   1.159  -6.517
  397   2HH2  ARG  48          2HH2      ARG  48  15.212   1.152  -5.601
  398    H    GLN  49           H        GLN  49   6.709  -0.855  -4.023
  399    HA   GLN  49           HA       GLN  49   4.219   0.431  -3.393
  400   1HB   GLN  49          1HB       GLN  49   5.088  -2.204  -4.448
  401   2HB   GLN  49          2HB       GLN  49   3.541  -2.179  -3.603
  402   1HG   GLN  49          1HG       GLN  49   3.032  -1.713  -5.888
  403   2HG   GLN  49          2HG       GLN  49   2.940  -0.162  -5.055
  404   2HE2  GLN  49          2HE2      GLN  49   4.725  -2.009  -7.445
  405   1HE2  GLN  49          1HE2      GLN  49   5.784  -0.760  -7.894
  406    H    VAL  50           H        VAL  50   2.629  -0.609  -1.873
  407    HA   VAL  50           HA       VAL  50   3.805  -2.012   0.402
  408    HB   VAL  50           HB       VAL  50   2.551   0.731   0.682
  409   1HG1  VAL  50          1HG1      VAL  50   3.350  -1.364   2.710
  410   2HG1  VAL  50          2HG1      VAL  50   3.259   0.345   3.132
  411   3HG1  VAL  50          3HG1      VAL  50   1.816  -0.503   2.577
  412   1HG2  VAL  50          1HG2      VAL  50   5.343  -0.347   1.143
  413   2HG2  VAL  50          2HG2      VAL  50   4.855   0.893  -0.012
  414   3HG2  VAL  50          3HG2      VAL  50   4.800   1.230   1.719
  415    H    CYS  51           H        CYS  51   2.436  -3.687   0.451
  416    HA   CYS  51           HA       CYS  51  -0.354  -3.507  -0.189
  417   1HB   CYS  51          1HB       CYS  51   1.247  -5.646   1.243
  418   2HB   CYS  51          2HB       CYS  51  -0.450  -5.814   0.794
  419    H    ALA  52           H        ALA  52  -1.605  -2.228   1.080
  420    HA   ALA  52           HA       ALA  52  -1.345  -2.570   4.015
  421   1HB   ALA  52          1HB       ALA  52  -0.858  -0.260   2.793
  422   2HB   ALA  52          2HB       ALA  52  -2.615  -0.125   2.874
  423   3HB   ALA  52          3HB       ALA  52  -1.676  -0.321   4.354
  424    H    ASP  53           H        ASP  53  -3.126  -3.008   5.183
  425    HA   ASP  53           HA       ASP  53  -5.547  -3.738   3.728
  426   1HB   ASP  53          1HB       ASP  53  -5.012  -3.926   6.702
  427   2HB   ASP  53          2HB       ASP  53  -6.281  -4.748   5.793
  428    H    LYS  54           H        LYS  54  -7.269  -2.457   3.552
  429    HA   LYS  54           HA       LYS  54  -7.336   0.193   4.460
  430   1HB   LYS  54          1HB       LYS  54  -9.766   0.120   3.887
  431   2HB   LYS  54          2HB       LYS  54  -8.730  -0.510   2.605
  432   1HG   LYS  54          1HG       LYS  54  -9.267  -2.764   3.128
  433   2HG   LYS  54          2HG       LYS  54  -9.961  -2.319   4.688
  434   1HD   LYS  54          1HD       LYS  54 -11.621  -0.892   3.255
  435   2HD   LYS  54          2HD       LYS  54 -11.113  -1.947   1.935
  436   1HE   LYS  54          1HE       LYS  54 -12.291  -2.840   4.583
  437   2HE   LYS  54          2HE       LYS  54 -13.100  -2.882   3.017
  438   1HZ   LYS  54          1HZ       LYS  54 -11.170  -4.311   2.274
  439   2HZ   LYS  54          2HZ       LYS  54 -10.772  -4.470   3.914
  440   3HZ   LYS  54          3HZ       LYS  54 -12.273  -5.029   3.349
  441    H    SER  55           H        SER  55  -8.290  -2.772   6.028
  442    HA   SER  55           HA       SER  55 -10.054  -1.788   7.974
  443   1HB   SER  55          1HB       SER  55  -8.881  -3.761   9.343
  444   2HB   SER  55          2HB       SER  55 -10.014  -4.079   8.033
  445    HG   SER  55           HG       SER  55  -7.364  -4.615   8.208
  446    H    LYS  56           H        LYS  56  -6.585  -1.546   7.691
  447    HA   LYS  56           HA       LYS  56  -5.877  -1.035  10.357
  448   1HB   LYS  56          1HB       LYS  56  -4.711  -0.285   7.702
  449   2HB   LYS  56          2HB       LYS  56  -4.071   0.469   9.163
  450   1HG   LYS  56          1HG       LYS  56  -4.434  -2.518   9.008
  451   2HG   LYS  56          2HG       LYS  56  -2.985  -1.751   8.359
  452   1HD   LYS  56          1HD       LYS  56  -2.753  -0.590  10.624
  453   2HD   LYS  56          2HD       LYS  56  -3.988  -1.704  11.211
  454   1HE   LYS  56          1HE       LYS  56  -2.500  -3.578  10.255
  455   2HE   LYS  56          2HE       LYS  56  -1.233  -2.354  10.160
  456   1HZ   LYS  56          1HZ       LYS  56  -2.752  -2.813  12.652
  457   2HZ   LYS  56          2HZ       LYS  56  -1.378  -3.737  12.271
  458   3HZ   LYS  56          3HZ       LYS  56  -1.249  -2.053  12.454
  459    H    ASP  57           H        ASP  57  -4.843   1.324  10.791
  460    HA   ASP  57           HA       ASP  57  -7.120   3.193  10.533
  461   1HB   ASP  57          1HB       ASP  57  -6.160   4.299  12.560
  462   2HB   ASP  57          2HB       ASP  57  -6.677   2.636  12.847
  463    H    TRP  58           H        TRP  58  -3.584   2.941  10.396
  464    HA   TRP  58           HA       TRP  58  -3.223   5.692   9.675
  465   1HB   TRP  58          1HB       TRP  58  -0.905   5.049   9.148
  466   2HB   TRP  58          2HB       TRP  58  -1.402   4.469  10.734
  467    HD1  TRP  58           HD1      TRP  58  -1.737   1.857  11.053
  468    HE1  TRP  58           HE1      TRP  58  -0.890  -0.161   9.689
  469    HE3  TRP  58           HE3      TRP  58  -0.420   4.209   6.725
  470    HZ2  TRP  58           HZ2      TRP  58   0.206  -0.705   7.086
  471    HZ3  TRP  58           HZ3      TRP  58   0.523   2.931   4.827
  472    HH2  TRP  58           HH2      TRP  58   0.836   0.483   5.003
  473    H    VAL  59           H        VAL  59  -3.808   2.731   7.923
  474    HA   VAL  59           HA       VAL  59  -3.032   3.706   5.351
  475    HB   VAL  59           HB       VAL  59  -5.015   1.513   6.008
  476   1HG1  VAL  59          1HG1      VAL  59  -4.981   2.389   3.646
  477   2HG1  VAL  59          2HG1      VAL  59  -3.278   1.944   3.559
  478   3HG1  VAL  59          3HG1      VAL  59  -4.505   0.697   3.781
  479   1HG2  VAL  59          1HG2      VAL  59  -2.765   1.244   7.090
  480   2HG2  VAL  59          2HG2      VAL  59  -3.115  -0.001   5.891
  481   3HG2  VAL  59          3HG2      VAL  59  -2.032   1.331   5.488
  482    H    LYS  60           H        LYS  60  -5.969   3.784   7.268
  483    HA   LYS  60           HA       LYS  60  -7.730   4.661   5.210
  484   1HB   LYS  60          1HB       LYS  60  -8.284   3.760   7.594
  485   2HB   LYS  60          2HB       LYS  60  -8.068   5.438   8.095
  486   1HG   LYS  60          1HG       LYS  60  -9.772   6.178   6.525
  487   2HG   LYS  60          2HG       LYS  60  -9.923   4.549   5.868
  488   1HD   LYS  60          1HD       LYS  60 -10.359   3.996   8.466
  489   2HD   LYS  60          2HD       LYS  60 -10.946   5.659   8.434
  490   1HE   LYS  60          1HE       LYS  60 -11.837   3.463   6.542
  491   2HE   LYS  60          2HE       LYS  60 -12.756   4.036   7.934
  492   1HZ   LYS  60          1HZ       LYS  60 -12.752   6.259   6.944
  493   2HZ   LYS  60          2HZ       LYS  60 -11.943   5.651   5.579
  494   3HZ   LYS  60          3HZ       LYS  60 -13.514   5.121   5.939
  495    H    LYS  61           H        LYS  61  -5.697   6.313   7.583
  496    HA   LYS  61           HA       LYS  61  -6.524   8.956   7.091
  497   1HB   LYS  61          1HB       LYS  61  -4.885   7.980   8.897
  498   2HB   LYS  61          2HB       LYS  61  -3.652   8.334   7.687
  499   1HG   LYS  61          1HG       LYS  61  -4.097  10.641   7.722
  500   2HG   LYS  61          2HG       LYS  61  -5.696  10.415   8.432
  501   1HD   LYS  61          1HD       LYS  61  -3.349   9.461  10.008
  502   2HD   LYS  61          2HD       LYS  61  -3.608  11.203   9.907
  503   1HE   LYS  61          1HE       LYS  61  -4.970  10.784  11.707
  504   2HE   LYS  61          2HE       LYS  61  -6.133  10.431  10.430
  505   1HZ   LYS  61          1HZ       LYS  61  -4.343   8.325  11.455
  506   2HZ   LYS  61          2HZ       LYS  61  -5.777   8.711  12.278
  507   3HZ   LYS  61          3HZ       LYS  61  -5.843   8.165  10.674
  508    H    LEU  62           H        LEU  62  -4.216   6.871   5.440
  509    HA   LEU  62           HA       LEU  62  -3.040   8.831   3.764
  510   1HB   LEU  62          1HB       LEU  62  -3.531   5.919   3.161
  511   2HB   LEU  62          2HB       LEU  62  -2.443   6.978   2.300
  512    HG   LEU  62           HG       LEU  62  -2.054   6.453   5.230
  513   1HD1  LEU  62          1HD1      LEU  62  -2.251   4.348   3.631
  514   2HD1  LEU  62          2HD1      LEU  62  -0.639   4.854   3.124
  515   3HD1  LEU  62          3HD1      LEU  62  -0.947   4.450   4.812
  516   1HD2  LEU  62          1HD2      LEU  62  -0.477   7.496   2.897
  517   2HD2  LEU  62          2HD2      LEU  62  -0.602   8.144   4.533
  518   3HD2  LEU  62          3HD2      LEU  62   0.381   6.712   4.224
  519    H    MET  63           H        MET  63  -5.794   6.652   3.339
  520    HA   MET  63           HA       MET  63  -6.545   7.181   0.747
  521   1HB   MET  63          1HB       MET  63  -7.853   6.202   3.163
  522   2HB   MET  63          2HB       MET  63  -8.973   7.080   2.120
  523   1HG   MET  63          1HG       MET  63  -9.114   5.003   1.143
  524   2HG   MET  63          2HG       MET  63  -7.753   5.642   0.238
  525   1HE   MET  63          1HE       MET  63  -7.737   3.282  -0.349
  526   2HE   MET  63          2HE       MET  63  -6.010   3.620  -0.285
  527   3HE   MET  63          3HE       MET  63  -6.635   2.126   0.409
  528    H    GLN  64           H        GLN  64  -7.248   9.092   3.636
  529    HA   GLN  64           HA       GLN  64  -8.810  11.053   2.204
  530   1HB   GLN  64          1HB       GLN  64  -8.690  10.418   4.811
  531   2HB   GLN  64          2HB       GLN  64  -7.543  11.759   4.800
  532   1HG   GLN  64          1HG       GLN  64  -9.454  12.999   5.057
  533   2HG   GLN  64          2HG       GLN  64  -9.507  12.849   3.301
  534   2HE2  GLN  64          2HE2      GLN  64 -11.100  11.420   2.370
  535   1HE2  GLN  64          1HE2      GLN  64 -12.334  10.719   3.299
  536    H    GLN  65           H        GLN  65  -5.450  10.579   3.010
  537    HA   GLN  65           HA       GLN  65  -4.628  13.285   2.499
  538   1HB   GLN  65          1HB       GLN  65  -3.272  10.696   3.087
  539   2HB   GLN  65          2HB       GLN  65  -2.323  11.986   2.353
  540   1HG   GLN  65          1HG       GLN  65  -4.031  12.904   4.569
  541   2HG   GLN  65          2HG       GLN  65  -2.819  11.723   5.057
  542   2HE2  GLN  65          2HE2      GLN  65  -1.095  12.906   5.904
  543   1HE2  GLN  65          1HE2      GLN  65  -0.393  14.259   5.157
  544    H    LEU  66           H        LEU  66  -4.109  10.207   0.770
  545    HA   LEU  66           HA       LEU  66  -3.382  11.714  -1.648
  546   1HB   LEU  66          1HB       LEU  66  -3.357   8.733  -1.456
  547   2HB   LEU  66          2HB       LEU  66  -2.363   9.785  -2.439
  548    HG   LEU  66           HG       LEU  66  -2.112   9.583   0.569
  549   1HD1  LEU  66          1HD1      LEU  66  -1.619   7.412  -0.507
  550   2HD1  LEU  66          2HD1      LEU  66  -0.496   8.214  -1.605
  551   3HD1  LEU  66          3HD1      LEU  66  -0.151   8.158   0.122
  552   1HD2  LEU  66          1HD2      LEU  66  -0.790  11.114  -1.604
  553   2HD2  LEU  66          2HD2      LEU  66  -0.972  11.512   0.104
  554   3HD2  LEU  66          3HD2      LEU  66   0.293  10.397  -0.410
  555    HA   PRO  67           HA       PRO  67  -7.322  10.816  -3.425
  556   1HB   PRO  67          1HB       PRO  67  -6.707  11.014  -6.089
  557   2HB   PRO  67          2HB       PRO  67  -6.886  12.407  -5.013
  558   1HG   PRO  67          1HG       PRO  67  -4.418  11.189  -6.121
  559   2HG   PRO  67          2HG       PRO  67  -4.732  12.862  -5.637
  560   1HD   PRO  67          1HD       PRO  67  -3.302  10.951  -4.134
  561   2HD   PRO  67          2HD       PRO  67  -3.932  12.499  -3.524
  562    H    VAL  68           H        VAL  68  -5.331   9.424  -6.014
  563    HA   VAL  68           HA       VAL  68  -5.269   6.773  -5.235
  564    HB   VAL  68           HB       VAL  68  -7.923   7.413  -5.589
  565   1HG1  VAL  68          1HG1      VAL  68  -7.695   7.704  -8.027
  566   2HG1  VAL  68          2HG1      VAL  68  -7.053   6.066  -8.158
  567   3HG1  VAL  68          3HG1      VAL  68  -8.717   6.321  -7.633
  568   1HG2  VAL  68          1HG2      VAL  68  -6.646   5.346  -4.652
  569   2HG2  VAL  68          2HG2      VAL  68  -8.295   5.137  -5.240
  570   3HG2  VAL  68          3HG2      VAL  68  -6.930   4.659  -6.251
  571    H    THR  69           H        THR  69  -5.034   5.264  -7.208
  572    HA   THR  69           HA       THR  69  -3.153   6.531  -8.995
  573    HB   THR  69           HB       THR  69  -3.326   4.082 -10.028
  574    HG1  THR  69           HG1      THR  69  -4.743   2.998  -8.932
  575   1HG2  THR  69          1HG2      THR  69  -1.568   5.368  -8.443
  576   2HG2  THR  69          2HG2      THR  69  -2.105   4.122  -7.318
  577   3HG2  THR  69          3HG2      THR  69  -1.394   3.666  -8.866
  578    H    ALA  70           H        ALA  70  -6.145   4.652  -9.503
  579    HA   ALA  70           HA       ALA  70  -6.348   5.439 -12.261
  580   1HB   ALA  70          1HB       ALA  70  -8.110   3.977 -12.390
  581   2HB   ALA  70          2HB       ALA  70  -8.740   4.428 -10.806
  582   3HB   ALA  70          3HB       ALA  70  -7.353   3.346 -10.928
  583    H    ARG  71           H        ARG  71  -8.881   6.117 -12.747
  584    HA   ARG  71           HA       ARG  71  -8.980   8.879 -12.169
  585   1HB   ARG  71          1HB       ARG  71 -11.051   6.959 -13.237
  586   2HB   ARG  71          2HB       ARG  71 -11.364   8.685 -13.046
  587   1HG   ARG  71          1HG       ARG  71  -9.031   8.858 -14.348
  588   2HG   ARG  71          2HG       ARG  71  -9.549   7.288 -14.959
  589   1HD   ARG  71          1HD       ARG  71 -11.778   9.121 -15.011
  590   2HD   ARG  71          2HD       ARG  71 -10.400   9.845 -15.830
  591    HE   ARG  71           HE       ARG  71 -10.619   8.255 -17.509
  592   1HH1  ARG  71          1HH1      ARG  71 -12.480   7.278 -14.709
  593   2HH1  ARG  71          2HH1      ARG  71 -13.241   5.963 -15.533
  594   1HH2  ARG  71          1HH2      ARG  71 -11.635   6.531 -18.545
  595   2HH2  ARG  71          2HH2      ARG  71 -12.769   5.541 -17.687

  No H/Q in entry =         595
  Start of MODEL   29
    1    H1   LEU   1           H1       LEU   1  13.786 -22.419  -8.579
    2    H2   LEU   1           H2       LEU   1  12.506 -23.512  -8.347
    3    H3   LEU   1           H3       LEU   1  14.078 -23.935  -7.871
    4    HA   LEU   1           HA       LEU   1  14.815 -24.246 -10.026
    5   1HB   LEU   1          1HB       LEU   1  11.971 -25.141  -9.627
    6   2HB   LEU   1          2HB       LEU   1  12.791 -25.473 -11.153
    7    HG   LEU   1           HG       LEU   1  14.728 -26.302  -9.528
    8   1HD1  LEU   1          1HD1      LEU   1  12.960 -25.590  -7.622
    9   2HD1  LEU   1          2HD1      LEU   1  12.432 -27.251  -7.886
   10   3HD1  LEU   1          3HD1      LEU   1  14.097 -26.921  -7.407
   11   1HD2  LEU   1          1HD2      LEU   1  13.295 -27.578 -11.251
   12   2HD2  LEU   1          2HD2      LEU   1  13.986 -28.524  -9.933
   13   3HD2  LEU   1          3HD2      LEU   1  12.287 -28.051  -9.882
   14    H    GLY   2           H        GLY   2  15.159 -22.089 -10.825
   15   1HA   GLY   2          1HA       GLY   2  13.760 -21.525 -13.228
   16   2HA   GLY   2          2HA       GLY   2  14.945 -20.474 -12.456
   17    H    ALA   3           H        ALA   3  14.130 -18.533 -12.043
   18    HA   ALA   3           HA       ALA   3  11.376 -17.908 -12.036
   19   1HB   ALA   3          1HB       ALA   3  11.230 -17.241  -9.588
   20   2HB   ALA   3          2HB       ALA   3  12.664 -18.233  -9.323
   21   3HB   ALA   3          3HB       ALA   3  11.175 -18.974  -9.910
   22    H    SER   4           H        SER   4  11.334 -15.881 -12.719
   23    HA   SER   4           HA       SER   4  13.643 -14.211 -12.722
   24   1HB   SER   4          1HB       SER   4  12.269 -12.578 -13.800
   25   2HB   SER   4          2HB       SER   4  11.750 -14.147 -14.407
   26    HG   SER   4           HG       SER   4  10.104 -14.074 -12.757
   27    H    TRP   5           H        TRP   5  13.619 -11.959 -11.851
   28    HA   TRP   5           HA       TRP   5  13.465 -11.967  -9.069
   29   1HB   TRP   5          1HB       TRP   5  14.286  -9.823  -9.147
   30   2HB   TRP   5          2HB       TRP   5  14.681 -10.346 -10.775
   31    HD1  TRP   5           HD1      TRP   5  13.403  -7.476  -9.125
   32    HE1  TRP   5           HE1      TRP   5  11.896  -6.031 -10.634
   33    HE3  TRP   5           HE3      TRP   5  12.424 -10.810 -12.877
   34    HZ2  TRP   5           HZ2      TRP   5  10.469  -6.251 -13.096
   35    HZ3  TRP   5           HZ3      TRP   5  10.992 -10.162 -14.788
   36    HH2  TRP   5           HH2      TRP   5  10.012  -7.889 -14.903
   37    H    HIS   6           H        HIS   6  10.948 -11.450 -11.379
   38    HA   HIS   6           HA       HIS   6   9.172  -9.882  -9.860
   39   1HB   HIS   6          1HB       HIS   6   9.052 -10.696 -12.357
   40   2HB   HIS   6          2HB       HIS   6   8.154 -12.046 -11.663
   41    HD1  HIS   6           HD1      HIS   6   7.073  -9.485 -13.432
   42    HD2  HIS   6           HD2      HIS   6   6.506 -10.214  -9.367
   43    HE1  HIS   6           HE1      HIS   6   5.010  -8.183 -12.751
   44    H    ARG   7           H        ARG   7   8.168 -10.319  -8.017
   45    HA   ARG   7           HA       ARG   7   8.167 -13.025  -6.955
   46   1HB   ARG   7          1HB       ARG   7   7.485 -10.315  -5.875
   47   2HB   ARG   7          2HB       ARG   7   6.876 -11.750  -5.051
   48   1HG   ARG   7          1HG       ARG   7   9.230 -12.638  -5.005
   49   2HG   ARG   7          2HG       ARG   7   9.772 -11.084  -5.639
   50   1HD   ARG   7          1HD       ARG   7   8.007 -11.081  -3.229
   51   2HD   ARG   7          2HD       ARG   7   9.689 -11.555  -3.019
   52    HE   ARG   7           HE       ARG   7   9.497  -9.134  -4.522
   53   1HH1  ARG   7          1HH1      ARG   7   9.236 -10.416  -1.275
   54   2HH1  ARG   7          2HH1      ARG   7   9.680  -8.921  -0.527
   55   1HH2  ARG   7          1HH2      ARG   7  10.071  -7.204  -3.506
   56   2HH2  ARG   7          2HH2      ARG   7  10.148  -7.116  -1.778
   57    HA   PRO   8           HA       PRO   8   3.983 -13.816  -8.199
   58   1HB   PRO   8          1HB       PRO   8   3.442 -15.943  -6.574
   59   2HB   PRO   8          2HB       PRO   8   4.492 -16.036  -7.996
   60   1HG   PRO   8          1HG       PRO   8   5.211 -16.069  -5.130
   61   2HG   PRO   8          2HG       PRO   8   6.095 -16.712  -6.521
   62   1HD   PRO   8          1HD       PRO   8   6.619 -14.271  -5.141
   63   2HD   PRO   8          2HD       PRO   8   7.378 -14.833  -6.649
   64    H    ASP   9           H        ASP   9   1.742 -14.232  -7.229
   65    HA   ASP   9           HA       ASP   9  -0.020 -13.508  -5.942
   66   1HB   ASP   9          1HB       ASP   9   1.582 -14.715  -4.189
   67   2HB   ASP   9          2HB       ASP   9   1.732 -13.071  -3.569
   68    H    LYS  10           H        LYS  10  -0.759 -11.575  -6.509
   69    HA   LYS  10           HA       LYS  10   0.848  -9.178  -5.921
   70   1HB   LYS  10          1HB       LYS  10  -1.374  -9.781  -7.845
   71   2HB   LYS  10          2HB       LYS  10  -1.071  -8.114  -7.351
   72   1HG   LYS  10          1HG       LYS  10   1.458  -8.855  -7.890
   73   2HG   LYS  10          2HG       LYS  10   0.614  -9.939  -8.995
   74   1HD   LYS  10          1HD       LYS  10  -0.248  -7.078  -8.922
   75   2HD   LYS  10          2HD       LYS  10   1.277  -7.460  -9.726
   76   1HE   LYS  10          1HE       LYS  10  -0.160  -7.775 -11.503
   77   2HE   LYS  10          2HE       LYS  10  -0.213  -9.396 -10.809
   78   1HZ   LYS  10          1HZ       LYS  10  -2.174  -8.710  -9.531
   79   2HZ   LYS  10          2HZ       LYS  10  -2.144  -7.198 -10.306
   80   3HZ   LYS  10          3HZ       LYS  10  -2.433  -8.611 -11.204
   81    H    CYS  11           H        CYS  11  -2.215 -10.739  -5.244
   82    HA   CYS  11           HA       CYS  11  -3.527  -8.588  -3.975
   83   1HB   CYS  11          1HB       CYS  11  -3.799 -11.577  -3.778
   84   2HB   CYS  11          2HB       CYS  11  -4.761 -10.503  -2.760
   85    H    CYS  12           H        CYS  12  -0.857 -10.504  -2.965
   86    HA   CYS  12           HA       CYS  12   0.155 -10.910  -0.933
   87   1HB   CYS  12          1HB       CYS  12   0.833  -8.804   0.199
   88   2HB   CYS  12          2HB       CYS  12   1.110  -8.787  -1.539
   89    H    LEU  13           H        LEU  13  -1.065 -12.175   0.352
   90    HA   LEU  13           HA       LEU  13  -3.406 -11.438   1.721
   91   1HB   LEU  13          1HB       LEU  13  -1.331 -13.548   2.224
   92   2HB   LEU  13          2HB       LEU  13  -2.688 -13.333   3.308
   93    HG   LEU  13           HG       LEU  13  -3.175 -15.121   1.751
   94   1HD1  LEU  13          1HD1      LEU  13  -4.872 -13.152   2.344
   95   2HD1  LEU  13          2HD1      LEU  13  -4.785 -12.877   0.604
   96   3HD1  LEU  13          3HD1      LEU  13  -5.320 -14.439   1.224
   97   1HD2  LEU  13          1HD2      LEU  13  -1.578 -14.077  -0.016
   98   2HD2  LEU  13          2HD2      LEU  13  -3.019 -14.912  -0.597
   99   3HD2  LEU  13          3HD2      LEU  13  -2.989 -13.150  -0.528
  100    H    GLY  14           H        GLY  14  -0.021 -10.996   2.497
  101   1HA   GLY  14          1HA       GLY  14   0.973 -10.270   4.511
  102   2HA   GLY  14          2HA       GLY  14  -0.633 -10.070   5.207
  103    H    TYR  15           H        TYR  15   0.162  -7.982   5.944
  104    HA   TYR  15           HA       TYR  15   0.373  -5.946   3.817
  105   1HB   TYR  15          1HB       TYR  15  -1.388  -5.776   6.274
  106   2HB   TYR  15          2HB       TYR  15  -1.084  -4.449   5.151
  107    HD1  TYR  15           HD1      TYR  15  -2.324  -7.980   5.271
  108    HD2  TYR  15           HD2      TYR  15  -2.404  -4.206   3.224
  109    HE1  TYR  15           HE1      TYR  15  -4.118  -8.825   3.781
  110    HE2  TYR  15           HE2      TYR  15  -4.197  -5.050   1.734
  111    HH   TYR  15           HH       TYR  15  -5.943  -7.874   2.381
  112    H    GLN  16           H        GLN  16   0.933  -3.743   4.932
  113    HA   GLN  16           HA       GLN  16   3.481  -4.017   6.107
  114   1HB   GLN  16          1HB       GLN  16   2.469  -1.968   4.883
  115   2HB   GLN  16          2HB       GLN  16   1.800  -1.549   6.453
  116   1HG   GLN  16          1HG       GLN  16   3.914  -0.421   6.280
  117   2HG   GLN  16          2HG       GLN  16   4.134  -1.759   7.405
  118   2HE2  GLN  16          2HE2      GLN  16   5.373  -3.636   6.657
  119   1HE2  GLN  16          1HE2      GLN  16   6.358  -3.538   5.278
  120    H    LYS  17           H        LYS  17   4.163  -4.179   8.153
  121    HA   LYS  17           HA       LYS  17   2.113  -4.212  10.271
  122   1HB   LYS  17          1HB       LYS  17   3.907  -6.127   9.756
  123   2HB   LYS  17          2HB       LYS  17   4.905  -5.112  10.796
  124   1HG   LYS  17          1HG       LYS  17   2.721  -5.106  12.310
  125   2HG   LYS  17          2HG       LYS  17   2.404  -6.615  11.454
  126   1HD   LYS  17          1HD       LYS  17   5.157  -6.217  12.524
  127   2HD   LYS  17          2HD       LYS  17   3.878  -6.539  13.695
  128   1HE   LYS  17          1HE       LYS  17   3.252  -8.426  11.895
  129   2HE   LYS  17          2HE       LYS  17   4.979  -8.303  11.558
  130   1HZ   LYS  17          1HZ       LYS  17   3.822  -8.696  14.263
  131   2HZ   LYS  17          2HZ       LYS  17   4.432  -9.948  13.290
  132   3HZ   LYS  17          3HZ       LYS  17   5.469  -8.727  13.846
  133    H    ARG  18           H        ARG  18   3.171  -1.762   9.150
  134    HA   ARG  18           HA       ARG  18   3.819  -0.402  11.584
  135   1HB   ARG  18          1HB       ARG  18   6.002   0.514  10.796
  136   2HB   ARG  18          2HB       ARG  18   6.063  -1.218  11.122
  137   1HG   ARG  18          1HG       ARG  18   5.306  -0.447   8.356
  138   2HG   ARG  18          2HG       ARG  18   6.974  -0.113   8.820
  139   1HD   ARG  18          1HD       ARG  18   5.559  -2.787   8.994
  140   2HD   ARG  18          2HD       ARG  18   6.835  -2.351   7.863
  141    HE   ARG  18           HE       ARG  18   7.183  -3.178  10.588
  142   1HH1  ARG  18          1HH1      ARG  18   8.517  -1.150   8.067
  143   2HH1  ARG  18          2HH1      ARG  18  10.118  -1.197   8.719
  144   1HH2  ARG  18          1HH2      ARG  18   9.285  -3.214  11.404
  145   2HH2  ARG  18          2HH2      ARG  18  10.551  -2.356  10.592
  146    HA   PRO  19           HA       PRO  19   1.993   2.726   9.041
  147   1HB   PRO  19          1HB       PRO  19   2.392   4.895  10.652
  148   2HB   PRO  19          2HB       PRO  19   1.186   3.640  10.967
  149   1HG   PRO  19          1HG       PRO  19   3.738   4.162  12.345
  150   2HG   PRO  19          2HG       PRO  19   2.296   3.316  12.924
  151   1HD   PRO  19          1HD       PRO  19   4.723   2.134  11.978
  152   2HD   PRO  19          2HD       PRO  19   3.218   1.296  12.421
  153    H    LEU  20           H        LEU  20   2.730   3.678   7.253
  154    HA   LEU  20           HA       LEU  20   5.484   4.698   7.179
  155   1HB   LEU  20          1HB       LEU  20   3.790   4.753   4.746
  156   2HB   LEU  20          2HB       LEU  20   5.482   4.348   4.924
  157    HG   LEU  20           HG       LEU  20   3.101   2.563   5.470
  158   1HD1  LEU  20          1HD1      LEU  20   4.256   3.086   3.105
  159   2HD1  LEU  20          2HD1      LEU  20   5.380   1.856   3.681
  160   3HD1  LEU  20          3HD1      LEU  20   3.665   1.478   3.520
  161   1HD2  LEU  20          1HD2      LEU  20   5.935   2.427   6.361
  162   2HD2  LEU  20          2HD2      LEU  20   4.493   1.720   7.088
  163   3HD2  LEU  20          3HD2      LEU  20   5.257   0.938   5.704
  164    HA   PRO  21           HA       PRO  21   3.979   8.870   7.192
  165   1HB   PRO  21          1HB       PRO  21   6.206  10.149   6.260
  166   2HB   PRO  21          2HB       PRO  21   6.072   9.472   7.892
  167   1HG   PRO  21          1HG       PRO  21   7.621   8.483   5.578
  168   2HG   PRO  21          2HG       PRO  21   7.879   8.209   7.307
  169   1HD   PRO  21          1HD       PRO  21   6.688   6.401   5.443
  170   2HD   PRO  21          2HD       PRO  21   6.792   6.206   7.209
  171    H    GLN  22           H        GLN  22   2.721  10.014   5.836
  172    HA   GLN  22           HA       GLN  22   2.672   9.484   3.018
  173   1HB   GLN  22          1HB       GLN  22   0.706  10.153   4.540
  174   2HB   GLN  22          2HB       GLN  22   1.303  11.803   4.365
  175   1HG   GLN  22          1HG       GLN  22   1.046  10.237   1.853
  176   2HG   GLN  22          2HG       GLN  22  -0.464  10.684   2.646
  177   2HE2  GLN  22          2HE2      GLN  22  -0.004  13.192   3.652
  178   1HE2  GLN  22          1HE2      GLN  22   0.436  14.272   2.419
  179    H    VAL  23           H        VAL  23   4.614  11.505   4.911
  180    HA   VAL  23           HA       VAL  23   4.863  13.866   3.498
  181    HB   VAL  23           HB       VAL  23   5.952  13.397   5.660
  182   1HG1  VAL  23          1HG1      VAL  23   6.771  11.061   4.576
  183   2HG1  VAL  23          2HG1      VAL  23   8.235  12.019   4.351
  184   3HG1  VAL  23          3HG1      VAL  23   7.563  11.801   5.967
  185   1HG2  VAL  23          1HG2      VAL  23   6.777  15.178   4.011
  186   2HG2  VAL  23          2HG2      VAL  23   7.915  14.678   5.263
  187   3HG2  VAL  23          3HG2      VAL  23   8.081  14.055   3.620
  188    H    LEU  24           H        LEU  24   5.864  10.674   2.535
  189    HA   LEU  24           HA       LEU  24   7.101  11.870   0.136
  190   1HB   LEU  24          1HB       LEU  24   8.909  10.419   0.146
  191   2HB   LEU  24          2HB       LEU  24   8.767  10.943   1.804
  192    HG   LEU  24           HG       LEU  24   9.254   8.668   1.985
  193   1HD1  LEU  24          1HD1      LEU  24   7.161   9.333   3.236
  194   2HD1  LEU  24          2HD1      LEU  24   6.228   8.615   1.922
  195   3HD1  LEU  24          3HD1      LEU  24   7.300   7.609   2.895
  196   1HD2  LEU  24          1HD2      LEU  24   8.626   8.442  -0.596
  197   2HD2  LEU  24          2HD2      LEU  24   8.714   7.028   0.455
  198   3HD2  LEU  24          3HD2      LEU  24   7.150   7.748   0.075
  199    H    LEU  25           H        LEU  25   4.566  10.034   1.169
  200    HA   LEU  25           HA       LEU  25   4.621   7.914  -0.754
  201   1HB   LEU  25          1HB       LEU  25   3.170   8.342   1.460
  202   2HB   LEU  25          2HB       LEU  25   2.034   8.942   0.274
  203    HG   LEU  25           HG       LEU  25   1.932   6.787  -0.809
  204   1HD1  LEU  25          1HD1      LEU  25   4.375   6.306   0.819
  205   2HD1  LEU  25          2HD1      LEU  25   3.284   4.934   0.619
  206   3HD1  LEU  25          3HD1      LEU  25   3.970   5.730  -0.797
  207   1HD2  LEU  25          1HD2      LEU  25   1.736   6.788   2.202
  208   2HD2  LEU  25          2HD2      LEU  25   0.433   6.881   1.017
  209   3HD2  LEU  25          3HD2      LEU  25   1.297   5.363   1.261
  210    H    SER  26           H        SER  26   2.725   7.739  -2.365
  211    HA   SER  26           HA       SER  26   2.420  10.329  -3.769
  212   1HB   SER  26          1HB       SER  26   3.948   8.344  -4.734
  213   2HB   SER  26          2HB       SER  26   2.388   7.824  -5.364
  214    HG   SER  26           HG       SER  26   3.497   9.279  -6.768
  215    H    SER  27           H        SER  27   1.103   7.020  -4.070
  216    HA   SER  27           HA       SER  27  -1.583   7.924  -3.454
  217   1HB   SER  27          1HB       SER  27  -1.424   6.669  -6.131
  218   2HB   SER  27          2HB       SER  27  -2.544   7.880  -5.520
  219    HG   SER  27           HG       SER  27  -0.864   8.542  -7.121
  220    H    TRP  28           H        TRP  28  -3.077   5.914  -4.436
  221    HA   TRP  28           HA       TRP  28  -1.771   3.372  -3.765
  222   1HB   TRP  28          1HB       TRP  28  -3.712   2.788  -2.261
  223   2HB   TRP  28          2HB       TRP  28  -2.621   4.011  -1.614
  224    HD1  TRP  28           HD1      TRP  28  -3.472   6.533  -1.558
  225    HE1  TRP  28           HE1      TRP  28  -5.840   7.549  -1.622
  226    HE3  TRP  28           HE3      TRP  28  -6.125   2.491  -3.222
  227    HZ2  TRP  28           HZ2      TRP  28  -8.504   6.748  -2.302
  228    HZ3  TRP  28           HZ3      TRP  28  -8.570   2.649  -3.568
  229    HH2  TRP  28           HH2      TRP  28  -9.764   4.771  -3.107
  230    H    TYR  29           H        TYR  29  -2.572   1.671  -4.884
  231    HA   TYR  29           HA       TYR  29  -4.967   2.198  -6.537
  232   1HB   TYR  29          1HB       TYR  29  -4.063   0.861  -8.295
  233   2HB   TYR  29          2HB       TYR  29  -2.787   1.965  -7.801
  234    HD1  TYR  29           HD1      TYR  29  -0.865   1.123  -6.411
  235    HD2  TYR  29           HD2      TYR  29  -3.864  -1.510  -8.006
  236    HE1  TYR  29           HE1      TYR  29   0.630  -0.813  -6.030
  237    HE2  TYR  29           HE2      TYR  29  -2.365  -3.446  -7.622
  238    HH   TYR  29           HH       TYR  29   0.731  -3.332  -7.275
  239    HA   PRO  30           HA       PRO  30  -6.737  -1.244  -4.406
  240   1HB   PRO  30          1HB       PRO  30  -8.838  -1.771  -6.074
  241   2HB   PRO  30          2HB       PRO  30  -8.778  -0.390  -4.968
  242   1HG   PRO  30          1HG       PRO  30  -8.463  -0.454  -7.912
  243   2HG   PRO  30          2HG       PRO  30  -9.032   0.855  -6.867
  244   1HD   PRO  30          1HD       PRO  30  -6.452   0.630  -8.017
  245   2HD   PRO  30          2HD       PRO  30  -6.943   1.774  -6.746
  246    H    THR  31           H        THR  31  -6.991  -3.504  -4.462
  247    HA   THR  31           HA       THR  31  -5.487  -4.838  -6.598
  248    HB   THR  31           HB       THR  31  -5.900  -6.834  -4.919
  249    HG1  THR  31           HG1      THR  31  -7.354  -5.503  -3.667
  250   1HG2  THR  31          1HG2      THR  31  -3.984  -4.555  -4.860
  251   2HG2  THR  31          2HG2      THR  31  -3.971  -5.650  -3.478
  252   3HG2  THR  31          3HG2      THR  31  -3.679  -6.275  -5.101
  253    H    SER  32           H        SER  32  -6.388  -7.271  -6.803
  254    HA   SER  32           HA       SER  32  -8.996  -6.963  -8.057
  255   1HB   SER  32          1HB       SER  32  -6.811  -8.978  -8.130
  256   2HB   SER  32          2HB       SER  32  -8.444  -9.558  -8.444
  257    HG   SER  32           HG       SER  32  -8.617  -7.940 -10.049
  258    H    GLN  33           H        GLN  33 -10.817  -8.245  -7.578
  259    HA   GLN  33           HA       GLN  33 -10.933  -9.092  -4.762
  260   1HB   GLN  33          1HB       GLN  33 -12.603  -7.434  -5.870
  261   2HB   GLN  33          2HB       GLN  33 -13.319  -8.884  -6.574
  262   1HG   GLN  33          1HG       GLN  33 -13.662  -9.848  -4.367
  263   2HG   GLN  33          2HG       GLN  33 -12.818  -8.495  -3.610
  264   2HE2  GLN  33          2HE2      GLN  33 -13.954  -6.470  -3.407
  265   1HE2  GLN  33          1HE2      GLN  33 -15.607  -6.321  -3.764
  266    H    LEU  34           H        LEU  34  -9.718 -10.729  -6.922
  267    HA   LEU  34           HA       LEU  34 -11.489 -13.086  -6.672
  268   1HB   LEU  34          1HB       LEU  34  -9.582 -12.662  -8.958
  269   2HB   LEU  34          2HB       LEU  34 -10.854 -13.852  -8.821
  270    HG   LEU  34           HG       LEU  34 -11.632 -12.263 -10.386
  271   1HD1  LEU  34          1HD1      LEU  34 -13.030 -12.733  -8.090
  272   2HD1  LEU  34          2HD1      LEU  34 -12.984 -10.971  -8.094
  273   3HD1  LEU  34          3HD1      LEU  34 -13.672 -11.838  -9.466
  274   1HD2  LEU  34          1HD2      LEU  34  -9.855 -10.548  -9.446
  275   2HD2  LEU  34          2HD2      LEU  34 -11.290  -9.964 -10.287
  276   3HD2  LEU  34          3HD2      LEU  34 -11.233  -9.946  -8.525
  277    H    CYS  35           H        CYS  35  -9.582 -12.429  -4.755
  278    HA   CYS  35           HA       CYS  35  -7.477 -14.451  -5.252
  279   1HB   CYS  35          1HB       CYS  35  -7.387 -11.887  -3.663
  280   2HB   CYS  35          2HB       CYS  35  -6.201 -13.174  -3.442
  281    H    SER  36           H        SER  36  -8.652 -12.813  -2.333
  282    HA   SER  36           HA       SER  36 -10.112 -14.959  -1.249
  283   1HB   SER  36          1HB       SER  36  -7.599 -15.798  -1.282
  284   2HB   SER  36          2HB       SER  36  -7.485 -14.803   0.167
  285    HG   SER  36           HG       SER  36  -8.176 -16.728   0.903
  286    H    LYS  37           H        LYS  37  -7.790 -12.420  -0.409
  287    HA   LYS  37           HA       LYS  37  -9.763 -10.883   0.979
  288   1HB   LYS  37          1HB       LYS  37  -8.672 -11.000   3.226
  289   2HB   LYS  37          2HB       LYS  37  -9.440 -12.514   2.745
  290   1HG   LYS  37          1HG       LYS  37  -7.431 -13.605   2.459
  291   2HG   LYS  37          2HG       LYS  37  -6.578 -12.134   1.991
  292   1HD   LYS  37          1HD       LYS  37  -7.613 -12.230   4.777
  293   2HD   LYS  37          2HD       LYS  37  -6.257 -13.295   4.407
  294   1HE   LYS  37          1HE       LYS  37  -4.970 -11.391   3.543
  295   2HE   LYS  37          2HE       LYS  37  -6.332 -10.314   3.850
  296   1HZ   LYS  37          1HZ       LYS  37  -5.082 -11.942   5.983
  297   2HZ   LYS  37          2HZ       LYS  37  -4.542 -10.381   5.601
  298   3HZ   LYS  37          3HZ       LYS  37  -6.131 -10.617   6.154
  299    HA   PRO  38           HA       PRO  38  -5.833  -8.729  -0.325
  300   1HB   PRO  38          1HB       PRO  38  -6.800  -7.405  -2.508
  301   2HB   PRO  38          2HB       PRO  38  -6.095  -9.026  -2.577
  302   1HG   PRO  38          1HG       PRO  38  -8.922  -8.201  -2.814
  303   2HG   PRO  38          2HG       PRO  38  -8.117  -9.655  -3.422
  304   1HD   PRO  38          1HD       PRO  38  -9.757  -9.450  -1.094
  305   2HD   PRO  38          2HD       PRO  38  -8.800 -10.858  -1.613
  306    H    GLY  39           H        GLY  39  -5.714  -6.214  -0.993
  307   1HA   GLY  39          1HA       GLY  39  -6.220  -4.571   1.024
  308   2HA   GLY  39          2HA       GLY  39  -7.825  -4.646   0.299
  309    H    VAL  40           H        VAL  40  -4.858  -3.075   0.280
  310    HA   VAL  40           HA       VAL  40  -4.990  -2.191  -2.498
  311    HB   VAL  40           HB       VAL  40  -5.265  -0.179  -0.255
  312   1HG1  VAL  40          1HG1      VAL  40  -4.155   0.225  -2.661
  313   2HG1  VAL  40          2HG1      VAL  40  -5.850   0.421  -3.105
  314   3HG1  VAL  40          3HG1      VAL  40  -5.140   1.446  -1.857
  315   1HG2  VAL  40          1HG2      VAL  40  -7.304  -1.279  -2.203
  316   2HG2  VAL  40          2HG2      VAL  40  -7.349  -1.402  -0.444
  317   3HG2  VAL  40          3HG2      VAL  40  -7.553   0.166  -1.225
  318    H    ILE  41           H        ILE  41  -3.064  -1.526  -3.256
  319    HA   ILE  41           HA       ILE  41  -0.808  -1.567  -1.362
  320    HB   ILE  41           HB       ILE  41  -1.000  -2.078  -4.334
  321   1HG1  ILE  41          1HG1      ILE  41   0.270  -4.176  -3.453
  322   2HG1  ILE  41          2HG1      ILE  41  -0.319  -3.659  -1.872
  323   1HG2  ILE  41          1HG2      ILE  41   1.491  -1.677  -2.648
  324   2HG2  ILE  41          2HG2      ILE  41   1.497  -2.459  -4.229
  325   3HG2  ILE  41          3HG2      ILE  41   1.020  -0.766  -4.084
  326   1HD1  ILE  41          1HD1      ILE  41  -2.175  -3.935  -4.236
  327   2HD1  ILE  41          2HD1      ILE  41  -1.802  -5.304  -3.188
  328   3HD1  ILE  41          3HD1      ILE  41  -2.589  -3.872  -2.522
  329    H    PHE  42           H        PHE  42   0.647   0.102  -1.267
  330    HA   PHE  42           HA       PHE  42  -0.273   2.653  -2.410
  331   1HB   PHE  42          1HB       PHE  42   1.427   1.892  -0.062
  332   2HB   PHE  42          2HB       PHE  42   1.648   3.477  -0.801
  333    HD1  PHE  42           HD1      PHE  42  -0.133   5.151  -0.765
  334    HD2  PHE  42           HD2      PHE  42  -0.667   1.291   1.044
  335    HE1  PHE  42           HE1      PHE  42  -2.149   5.984   0.416
  336    HE2  PHE  42           HE2      PHE  42  -2.683   2.126   2.224
  337    HZ   PHE  42           HZ       PHE  42  -3.423   4.470   1.911
  338    H    LEU  43           H        LEU  43   1.448   4.166  -3.136
  339    HA   LEU  43           HA       LEU  43   3.823   2.837  -4.250
  340   1HB   LEU  43          1HB       LEU  43   2.311   4.761  -5.957
  341   2HB   LEU  43          2HB       LEU  43   3.452   3.523  -6.429
  342    HG   LEU  43           HG       LEU  43   1.635   1.840  -5.706
  343   1HD1  LEU  43          1HD1      LEU  43   0.221   4.467  -5.524
  344   2HD1  LEU  43          2HD1      LEU  43  -0.669   3.098  -6.191
  345   3HD1  LEU  43          3HD1      LEU  43   0.001   3.005  -4.563
  346   1HD2  LEU  43          1HD2      LEU  43   1.260   3.703  -8.067
  347   2HD2  LEU  43          2HD2      LEU  43   2.219   2.223  -8.038
  348   3HD2  LEU  43          3HD2      LEU  43   0.463   2.139  -7.897
  349    H    THR  44           H        THR  44   5.242   3.953  -2.951
  350    HA   THR  44           HA       THR  44   5.014   6.692  -2.283
  351    HB   THR  44           HB       THR  44   7.354   6.529  -1.593
  352    HG1  THR  44           HG1      THR  44   7.237   4.070  -2.995
  353   1HG2  THR  44          1HG2      THR  44   5.415   4.351  -0.964
  354   2HG2  THR  44          2HG2      THR  44   7.064   4.181  -0.361
  355   3HG2  THR  44          3HG2      THR  44   6.099   5.585   0.094
  356    H    LYS  45           H        LYS  45   6.674   8.353  -2.944
  357    HA   LYS  45           HA       LYS  45   6.463   8.899  -5.697
  358   1HB   LYS  45          1HB       LYS  45   8.455  10.013  -3.707
  359   2HB   LYS  45          2HB       LYS  45   8.077  10.709  -5.283
  360   1HG   LYS  45          1HG       LYS  45   6.000  11.458  -4.611
  361   2HG   LYS  45          2HG       LYS  45   5.801  10.166  -3.426
  362   1HD   LYS  45          1HD       LYS  45   6.156  12.099  -2.110
  363   2HD   LYS  45          2HD       LYS  45   7.733  11.307  -2.142
  364   1HE   LYS  45          1HE       LYS  45   8.409  13.424  -2.736
  365   2HE   LYS  45          2HE       LYS  45   7.997  12.823  -4.341
  366   1HZ   LYS  45          1HZ       LYS  45   6.054  14.219  -2.594
  367   2HZ   LYS  45          2HZ       LYS  45   7.018  15.029  -3.730
  368   3HZ   LYS  45          3HZ       LYS  45   5.898  13.861  -4.248
  369    H    ARG  46           H        ARG  46   9.364   8.014  -3.822
  370    HA   ARG  46           HA       ARG  46  10.457   6.755  -6.265
  371   1HB   ARG  46          1HB       ARG  46  11.474   9.030  -5.499
  372   2HB   ARG  46          2HB       ARG  46  12.230   8.058  -4.235
  373   1HG   ARG  46          1HG       ARG  46  12.933   6.487  -6.191
  374   2HG   ARG  46          2HG       ARG  46  12.593   7.880  -7.218
  375   1HD   ARG  46          1HD       ARG  46  14.555   7.756  -4.915
  376   2HD   ARG  46          2HD       ARG  46  14.941   7.928  -6.625
  377    HE   ARG  46           HE       ARG  46  13.319  10.077  -6.066
  378   1HH1  ARG  46          1HH1      ARG  46  16.309   8.816  -4.751
  379   2HH1  ARG  46          2HH1      ARG  46  16.889  10.375  -4.276
  380   1HH2  ARG  46          1HH2      ARG  46  14.114  12.090  -5.430
  381   2HH2  ARG  46          2HH2      ARG  46  15.658  12.214  -4.656
  382    H    GLY  47           H        GLY  47   9.400   6.153  -3.177
  383   1HA   GLY  47          1HA       GLY  47   9.886   4.578  -1.563
  384   2HA   GLY  47          2HA       GLY  47  11.497   4.426  -2.255
  385    H    ARG  48           H        ARG  48   8.514   2.953  -1.843
  386    HA   ARG  48           HA       ARG  48   8.667   1.234  -4.195
  387   1HB   ARG  48          1HB       ARG  48   9.611   0.414  -1.508
  388   2HB   ARG  48          2HB       ARG  48   8.559  -0.735  -2.333
  389   1HG   ARG  48          1HG       ARG  48  10.161  -0.134  -4.391
  390   2HG   ARG  48          2HG       ARG  48  11.289   0.212  -3.079
  391   1HD   ARG  48          1HD       ARG  48   9.710  -2.339  -3.031
  392   2HD   ARG  48          2HD       ARG  48  11.133  -2.224  -4.061
  393    HE   ARG  48           HE       ARG  48  11.667  -1.346  -1.378
  394   1HH1  ARG  48          1HH1      ARG  48  11.327  -4.174  -3.412
  395   2HH1  ARG  48          2HH1      ARG  48  12.341  -5.156  -2.411
  396   1HH2  ARG  48          1HH2      ARG  48  12.981  -2.660  -0.102
  397   2HH2  ARG  48          2HH2      ARG  48  13.270  -4.308  -0.552
  398    H    GLN  49           H        GLN  49   7.029  -0.763  -3.576
  399    HA   GLN  49           HA       GLN  49   4.506   0.607  -2.988
  400   1HB   GLN  49          1HB       GLN  49   5.261  -1.901  -4.433
  401   2HB   GLN  49          2HB       GLN  49   3.647  -1.774  -3.738
  402   1HG   GLN  49          1HG       GLN  49   3.182  -0.784  -5.753
  403   2HG   GLN  49          2HG       GLN  49   3.805   0.645  -4.928
  404   2HE2  GLN  49          2HE2      GLN  49   4.497  -1.738  -7.418
  405   1HE2  GLN  49          1HE2      GLN  49   5.928  -1.014  -7.974
  406    H    VAL  50           H        VAL  50   2.908  -0.453  -1.614
  407    HA   VAL  50           HA       VAL  50   3.860  -2.480   0.250
  408    HB   VAL  50           HB       VAL  50   3.101   0.290   1.219
  409   1HG1  VAL  50          1HG1      VAL  50   2.303  -1.532   2.700
  410   2HG1  VAL  50          2HG1      VAL  50   3.940  -2.185   2.763
  411   3HG1  VAL  50          3HG1      VAL  50   3.595  -0.600   3.456
  412   1HG2  VAL  50          1HG2      VAL  50   5.717  -1.230   1.143
  413   2HG2  VAL  50          2HG2      VAL  50   5.359   0.328   0.400
  414   3HG2  VAL  50          3HG2      VAL  50   5.460   0.191   2.155
  415    H    CYS  51           H        CYS  51   2.235  -3.700   1.002
  416    HA   CYS  51           HA       CYS  51  -0.461  -3.187   0.062
  417   1HB   CYS  51          1HB       CYS  51   0.653  -5.397   1.814
  418   2HB   CYS  51          2HB       CYS  51  -0.985  -5.345   1.164
  419    H    ALA  52           H        ALA  52  -2.076  -2.272   1.224
  420    HA   ALA  52           HA       ALA  52  -1.688  -2.019   4.144
  421   1HB   ALA  52          1HB       ALA  52  -1.255   0.097   2.559
  422   2HB   ALA  52          2HB       ALA  52  -3.006   0.233   2.722
  423   3HB   ALA  52          3HB       ALA  52  -1.983   0.248   4.159
  424    H    ASP  53           H        ASP  53  -3.443  -2.322   5.368
  425    HA   ASP  53           HA       ASP  53  -5.964  -2.974   3.978
  426   1HB   ASP  53          1HB       ASP  53  -4.652  -3.953   6.469
  427   2HB   ASP  53          2HB       ASP  53  -6.413  -3.864   6.466
  428    H    LYS  54           H        LYS  54  -7.610  -1.600   4.149
  429    HA   LYS  54           HA       LYS  54  -7.465   0.872   5.435
  430   1HB   LYS  54          1HB       LYS  54  -9.933  -0.705   4.663
  431   2HB   LYS  54          2HB       LYS  54  -9.916   1.008   5.085
  432   1HG   LYS  54          1HG       LYS  54  -8.837   1.622   3.133
  433   2HG   LYS  54          2HG       LYS  54  -8.026   0.064   2.968
  434   1HD   LYS  54          1HD       LYS  54  -9.652  -0.002   1.268
  435   2HD   LYS  54          2HD       LYS  54 -10.418  -0.886   2.587
  436   1HE   LYS  54          1HE       LYS  54 -11.499   1.287   3.295
  437   2HE   LYS  54          2HE       LYS  54 -10.886   2.001   1.802
  438   1HZ   LYS  54          1HZ       LYS  54 -12.062   0.244   0.573
  439   2HZ   LYS  54          2HZ       LYS  54 -12.724  -0.319   2.029
  440   3HZ   LYS  54          3HZ       LYS  54 -13.117   1.234   1.464
  441    H    SER  55           H        SER  55  -8.280  -2.244   6.732
  442    HA   SER  55           HA       SER  55  -9.874  -1.541   8.923
  443   1HB   SER  55          1HB       SER  55  -8.125  -3.808   8.219
  444   2HB   SER  55          2HB       SER  55  -8.397  -3.582   9.943
  445    HG   SER  55           HG       SER  55 -10.245  -4.067   7.871
  446    H    LYS  56           H        LYS  56  -6.425  -1.253   8.398
  447    HA   LYS  56           HA       LYS  56  -5.628  -0.814  11.083
  448   1HB   LYS  56          1HB       LYS  56  -4.369   0.296   8.560
  449   2HB   LYS  56          2HB       LYS  56  -3.594   0.139  10.137
  450   1HG   LYS  56          1HG       LYS  56  -4.805  -2.310   8.921
  451   2HG   LYS  56          2HG       LYS  56  -3.277  -1.724   8.261
  452   1HD   LYS  56          1HD       LYS  56  -2.525  -3.129   9.961
  453   2HD   LYS  56          2HD       LYS  56  -2.577  -1.576  10.796
  454   1HE   LYS  56          1HE       LYS  56  -4.459  -2.136  12.019
  455   2HE   LYS  56          2HE       LYS  56  -5.054  -3.251  10.790
  456   1HZ   LYS  56          1HZ       LYS  56  -3.236  -4.763  11.369
  457   2HZ   LYS  56          2HZ       LYS  56  -2.745  -3.702  12.602
  458   3HZ   LYS  56          3HZ       LYS  56  -4.259  -4.470  12.689
  459    H    ASP  57           H        ASP  57  -4.378   1.547  11.298
  460    HA   ASP  57           HA       ASP  57  -6.595   3.496  11.128
  461   1HB   ASP  57          1HB       ASP  57  -4.293   3.280  13.078
  462   2HB   ASP  57          2HB       ASP  57  -5.368   4.676  12.989
  463    H    TRP  58           H        TRP  58  -3.074   3.143  10.801
  464    HA   TRP  58           HA       TRP  58  -2.717   5.810   9.816
  465   1HB   TRP  58          1HB       TRP  58  -0.442   5.080   9.210
  466   2HB   TRP  58          2HB       TRP  58  -0.847   4.674  10.873
  467    HD1  TRP  58           HD1      TRP  58  -1.068   2.141  11.514
  468    HE1  TRP  58           HE1      TRP  58  -0.366  -0.028  10.315
  469    HE3  TRP  58           HE3      TRP  58  -0.272   3.951   6.812
  470    HZ2  TRP  58           HZ2      TRP  58   0.428  -0.890   7.687
  471    HZ3  TRP  58           HZ3      TRP  58   0.459   2.446   4.985
  472    HH2  TRP  58           HH2      TRP  58   0.804   0.031   5.417
  473    H    VAL  59           H        VAL  59  -3.530   2.746   8.385
  474    HA   VAL  59           HA       VAL  59  -2.848   3.433   5.693
  475    HB   VAL  59           HB       VAL  59  -4.922   1.441   6.643
  476   1HG1  VAL  59          1HG1      VAL  59  -3.367   1.798   4.066
  477   2HG1  VAL  59          2HG1      VAL  59  -4.276   0.339   4.459
  478   3HG1  VAL  59          3HG1      VAL  59  -5.117   1.878   4.276
  479   1HG2  VAL  59          1HG2      VAL  59  -2.658   1.105   7.664
  480   2HG2  VAL  59          2HG2      VAL  59  -3.134  -0.209   6.589
  481   3HG2  VAL  59          3HG2      VAL  59  -1.982   1.009   6.039
  482    H    LYS  60           H        LYS  60  -5.741   3.650   7.693
  483    HA   LYS  60           HA       LYS  60  -7.570   4.457   5.717
  484   1HB   LYS  60          1HB       LYS  60  -7.992   3.805   8.185
  485   2HB   LYS  60          2HB       LYS  60  -7.651   5.498   8.541
  486   1HG   LYS  60          1HG       LYS  60  -9.549   6.254   7.464
  487   2HG   LYS  60          2HG       LYS  60  -9.571   4.904   6.329
  488   1HD   LYS  60          1HD       LYS  60 -10.150   3.414   8.320
  489   2HD   LYS  60          2HD       LYS  60 -10.430   4.900   9.229
  490   1HE   LYS  60          1HE       LYS  60 -12.120   5.610   7.607
  491   2HE   LYS  60          2HE       LYS  60 -11.805   4.180   6.623
  492   1HZ   LYS  60          1HZ       LYS  60 -12.490   2.800   8.495
  493   2HZ   LYS  60          2HZ       LYS  60 -12.828   4.189   9.411
  494   3HZ   LYS  60          3HZ       LYS  60 -13.735   3.847   8.016
  495    H    LYS  61           H        LYS  61  -5.474   6.386   7.848
  496    HA   LYS  61           HA       LYS  61  -6.340   8.915   6.928
  497   1HB   LYS  61          1HB       LYS  61  -4.816   8.265   8.972
  498   2HB   LYS  61          2HB       LYS  61  -3.508   8.474   7.808
  499   1HG   LYS  61          1HG       LYS  61  -3.647  10.656   8.489
  500   2HG   LYS  61          2HG       LYS  61  -4.933  10.710   7.283
  501   1HD   LYS  61          1HD       LYS  61  -5.517   9.911  10.131
  502   2HD   LYS  61          2HD       LYS  61  -5.463  11.609   9.658
  503   1HE   LYS  61          1HE       LYS  61  -7.677  11.246   9.195
  504   2HE   LYS  61          2HE       LYS  61  -7.023  10.640   7.673
  505   1HZ   LYS  61          1HZ       LYS  61  -6.839   8.437   9.000
  506   2HZ   LYS  61          2HZ       LYS  61  -8.019   9.143   9.997
  507   3HZ   LYS  61          3HZ       LYS  61  -8.333   8.902   8.346
  508    H    LEU  62           H        LEU  62  -3.949   6.636   5.743
  509    HA   LEU  62           HA       LEU  62  -2.680   8.372   3.881
  510   1HB   LEU  62          1HB       LEU  62  -2.987   5.383   3.990
  511   2HB   LEU  62          2HB       LEU  62  -2.119   6.191   2.703
  512    HG   LEU  62           HG       LEU  62  -1.394   6.451   5.625
  513   1HD1  LEU  62          1HD1      LEU  62  -0.414   4.573   3.463
  514   2HD1  LEU  62          2HD1      LEU  62   0.475   4.878   4.955
  515   3HD1  LEU  62          3HD1      LEU  62  -1.124   4.139   5.016
  516   1HD2  LEU  62          1HD2      LEU  62  -0.266   7.387   3.007
  517   2HD2  LEU  62          2HD2      LEU  62  -0.369   8.241   4.546
  518   3HD2  LEU  62          3HD2      LEU  62   0.851   6.989   4.312
  519    H    MET  63           H        MET  63  -5.176   5.880   3.493
  520    HA   MET  63           HA       MET  63  -5.746   6.216   0.791
  521   1HB   MET  63          1HB       MET  63  -7.678   5.569   3.026
  522   2HB   MET  63          2HB       MET  63  -8.009   5.351   1.313
  523   1HG   MET  63          1HG       MET  63  -5.718   4.032   2.795
  524   2HG   MET  63          2HG       MET  63  -7.249   3.244   2.425
  525   1HE   MET  63          1HE       MET  63  -8.016   2.414   0.601
  526   2HE   MET  63          2HE       MET  63  -8.045   3.657  -0.648
  527   3HE   MET  63          3HE       MET  63  -7.219   2.131  -0.953
  528    H    GLN  64           H        GLN  64  -7.074   7.954   3.568
  529    HA   GLN  64           HA       GLN  64  -8.784   9.628   1.957
  530   1HB   GLN  64          1HB       GLN  64  -8.019   9.518   4.850
  531   2HB   GLN  64          2HB       GLN  64  -8.765  10.985   4.215
  532   1HG   GLN  64          1HG       GLN  64 -10.636   9.613   3.317
  533   2HG   GLN  64          2HG       GLN  64  -9.906   8.180   4.042
  534   2HE2  GLN  64          2HE2      GLN  64 -11.545   7.791   5.631
  535   1HE2  GLN  64          1HE2      GLN  64 -11.865   8.873   6.900
  536    H    GLN  65           H        GLN  65  -5.537   9.793   3.254
  537    HA   GLN  65           HA       GLN  65  -5.140  12.591   2.845
  538   1HB   GLN  65          1HB       GLN  65  -3.387  10.245   3.428
  539   2HB   GLN  65          2HB       GLN  65  -2.639  11.727   2.835
  540   1HG   GLN  65          1HG       GLN  65  -4.652  12.139   4.961
  541   2HG   GLN  65          2HG       GLN  65  -3.223  11.241   5.469
  542   2HE2  GLN  65          2HE2      GLN  65  -1.706  12.648   6.338
  543   1HE2  GLN  65          1HE2      GLN  65  -1.367  14.204   5.748
  544    H    LEU  66           H        LEU  66  -4.586   9.698   0.906
  545    HA   LEU  66           HA       LEU  66  -3.575  11.371  -1.300
  546   1HB   LEU  66          1HB       LEU  66  -3.426   8.436  -0.723
  547   2HB   LEU  66          2HB       LEU  66  -3.126   9.066  -2.328
  548    HG   LEU  66           HG       LEU  66  -1.016   8.765  -1.255
  549   1HD1  LEU  66          1HD1      LEU  66  -1.664  11.055  -2.436
  550   2HD1  LEU  66          2HD1      LEU  66  -1.367  11.699  -0.822
  551   3HD1  LEU  66          3HD1      LEU  66  -0.088  10.838  -1.676
  552   1HD2  LEU  66          1HD2      LEU  66  -2.226   8.968   1.086
  553   2HD2  LEU  66          2HD2      LEU  66  -0.513   9.358   0.936
  554   3HD2  LEU  66          3HD2      LEU  66  -1.713  10.650   0.964
  555    HA   PRO  67           HA       PRO  67  -7.381  10.768  -3.450
  556   1HB   PRO  67          1HB       PRO  67  -6.551  11.075  -6.042
  557   2HB   PRO  67          2HB       PRO  67  -6.721  12.411  -4.895
  558   1HG   PRO  67          1HG       PRO  67  -4.262  11.126  -5.924
  559   2HG   PRO  67          2HG       PRO  67  -4.502  12.762  -5.296
  560   1HD   PRO  67          1HD       PRO  67  -3.339  10.575  -3.905
  561   2HD   PRO  67          2HD       PRO  67  -3.815  12.143  -3.209
  562    H    VAL  68           H        VAL  68  -5.202   9.383  -5.885
  563    HA   VAL  68           HA       VAL  68  -5.509   6.671  -5.354
  564    HB   VAL  68           HB       VAL  68  -7.871   7.898  -6.648
  565   1HG1  VAL  68          1HG1      VAL  68  -6.858   6.867  -8.669
  566   2HG1  VAL  68          2HG1      VAL  68  -6.768   5.324  -7.819
  567   3HG1  VAL  68          3HG1      VAL  68  -8.338   6.041  -8.181
  568   1HG2  VAL  68          1HG2      VAL  68  -7.161   5.690  -4.849
  569   2HG2  VAL  68          2HG2      VAL  68  -8.630   6.663  -4.912
  570   3HG2  VAL  68          3HG2      VAL  68  -8.450   5.271  -5.977
  571    H    THR  69           H        THR  69  -4.852   5.328  -7.246
  572    HA   THR  69           HA       THR  69  -2.662   6.560  -8.600
  573    HB   THR  69           HB       THR  69  -2.889   4.251  -9.934
  574    HG1  THR  69           HG1      THR  69  -4.753   3.495  -9.148
  575   1HG2  THR  69          1HG2      THR  69  -1.134   5.060  -8.254
  576   2HG2  THR  69          2HG2      THR  69  -2.096   4.248  -7.019
  577   3HG2  THR  69          3HG2      THR  69  -1.389   3.317  -8.340
  578    H    ALA  70           H        ALA  70  -5.817   5.326  -9.684
  579    HA   ALA  70           HA       ALA  70  -5.862   7.274 -11.841
  580   1HB   ALA  70          1HB       ALA  70  -6.203   4.382 -12.605
  581   2HB   ALA  70          2HB       ALA  70  -4.624   5.164 -12.672
  582   3HB   ALA  70          3HB       ALA  70  -5.954   5.777 -13.654
  583    H    ARG  71           H        ARG  71  -7.836   8.091 -11.781
  584    HA   ARG  71           HA       ARG  71 -10.116   8.292 -11.554
  585   1HB   ARG  71          1HB       ARG  71  -9.783   5.480 -12.509
  586   2HB   ARG  71          2HB       ARG  71 -11.365   5.981 -11.910
  587   1HG   ARG  71          1HG       ARG  71 -10.811   8.104 -13.474
  588   2HG   ARG  71          2HG       ARG  71  -9.891   6.871 -14.337
  589   1HD   ARG  71          1HD       ARG  71 -12.170   5.496 -13.921
  590   2HD   ARG  71          2HD       ARG  71 -12.830   7.128 -13.961
  591    HE   ARG  71           HE       ARG  71 -12.377   7.201 -16.237
  592   1HH1  ARG  71          1HH1      ARG  71 -10.620   4.550 -14.773
  593   2HH1  ARG  71          2HH1      ARG  71 -10.093   3.912 -16.292
  594   1HH2  ARG  71          1HH2      ARG  71 -11.668   6.336 -18.195
  595   2HH2  ARG  71          2HH2      ARG  71 -10.679   4.913 -18.214

  No H/Q in entry =         595
  Start of MODEL   30
    1    H1   LEU   1           H1       LEU   1  10.396 -30.177 -12.440
    2    H2   LEU   1           H2       LEU   1  11.462 -30.219 -11.117
    3    H3   LEU   1           H3       LEU   1  10.453 -28.873 -11.357
    4    HA   LEU   1           HA       LEU   1  12.634 -28.268 -12.054
    5   1HB   LEU   1          1HB       LEU   1  13.077 -30.854 -12.509
    6   2HB   LEU   1          2HB       LEU   1  12.634 -30.399 -14.154
    7    HG   LEU   1           HG       LEU   1  14.668 -28.829 -12.568
    8   1HD1  LEU   1          1HD1      LEU   1  15.025 -31.327 -14.229
    9   2HD1  LEU   1          2HD1      LEU   1  16.335 -30.165 -14.015
   10   3HD1  LEU   1          3HD1      LEU   1  15.648 -30.988 -12.614
   11   1HD2  LEU   1          1HD2      LEU   1  14.015 -29.147 -15.514
   12   2HD2  LEU   1          2HD2      LEU   1  13.773 -27.706 -14.526
   13   3HD2  LEU   1          3HD2      LEU   1  15.407 -28.250 -14.906
   14    H    GLY   2           H        GLY   2  12.021 -26.463 -13.054
   15   1HA   GLY   2          1HA       GLY   2  11.092 -26.552 -15.799
   16   2HA   GLY   2          2HA       GLY   2  11.462 -25.105 -14.864
   17    H    ALA   3           H        ALA   3   9.872 -24.781 -12.952
   18    HA   ALA   3           HA       ALA   3   7.130 -25.210 -13.981
   19   1HB   ALA   3          1HB       ALA   3   8.197 -25.483 -11.183
   20   2HB   ALA   3          2HB       ALA   3   7.166 -26.591 -12.087
   21   3HB   ALA   3          3HB       ALA   3   6.503 -25.080 -11.466
   22    H    SER   4           H        SER   4   6.858 -23.219 -14.900
   23    HA   SER   4           HA       SER   4   6.650 -20.969 -13.027
   24   1HB   SER   4          1HB       SER   4   8.912 -20.949 -14.272
   25   2HB   SER   4          2HB       SER   4   7.966 -20.560 -15.707
   26    HG   SER   4           HG       SER   4   8.744 -18.951 -13.734
   27    H    TRP   5           H        TRP   5   4.558 -20.491 -13.183
   28    HA   TRP   5           HA       TRP   5   3.429 -19.390 -15.519
   29   1HB   TRP   5          1HB       TRP   5   3.496 -22.006 -15.940
   30   2HB   TRP   5          2HB       TRP   5   2.052 -21.973 -14.925
   31    HD1  TRP   5           HD1      TRP   5   3.244 -21.277 -18.385
   32    HE1  TRP   5           HE1      TRP   5   1.326 -20.303 -19.804
   33    HE3  TRP   5           HE3      TRP   5  -0.169 -20.316 -14.711
   34    HZ2  TRP   5           HZ2      TRP   5  -1.310 -19.254 -19.431
   35    HZ3  TRP   5           HZ3      TRP   5  -2.374 -19.331 -15.270
   36    HH2  TRP   5           HH2      TRP   5  -2.948 -18.800 -17.622
   37    H    HIS   6           H        HIS   6   2.792 -21.165 -12.535
   38    HA   HIS   6           HA       HIS   6   0.332 -19.678 -12.047
   39   1HB   HIS   6          1HB       HIS   6   1.766 -21.652 -10.253
   40   2HB   HIS   6          2HB       HIS   6   0.120 -21.052 -10.052
   41    HD1  HIS   6           HD1      HIS   6  -0.900 -21.266 -12.941
   42    HD2  HIS   6           HD2      HIS   6   1.292 -24.273 -11.061
   43    HE1  HIS   6           HE1      HIS   6  -1.436 -23.416 -14.167
   44    H    ARG   7           H        ARG   7   0.262 -19.151  -9.451
   45    HA   ARG   7           HA       ARG   7   0.857 -17.605  -7.855
   46   1HB   ARG   7          1HB       ARG   7   2.942 -19.189  -7.912
   47   2HB   ARG   7          2HB       ARG   7   3.727 -17.823  -8.705
   48   1HG   ARG   7          1HG       ARG   7   2.160 -17.385  -6.176
   49   2HG   ARG   7          2HG       ARG   7   3.812 -17.997  -6.092
   50   1HD   ARG   7          1HD       ARG   7   4.384 -16.029  -7.688
   51   2HD   ARG   7          2HD       ARG   7   2.834 -15.366  -7.183
   52    HE   ARG   7           HE       ARG   7   3.784 -14.856  -5.130
   53   1HH1  ARG   7          1HH1      ARG   7   5.803 -17.172  -6.805
   54   2HH1  ARG   7          2HH1      ARG   7   7.076 -17.077  -5.638
   55   1HH2  ARG   7          1HH2      ARG   7   5.467 -14.762  -3.632
   56   2HH2  ARG   7          2HH2      ARG   7   6.889 -15.725  -3.857
   57    HA   PRO   8           HA       PRO   8   1.285 -14.237 -10.940
   58   1HB   PRO   8          1HB       PRO   8  -0.890 -12.810 -10.104
   59   2HB   PRO   8          2HB       PRO   8  -0.977 -14.146 -11.264
   60   1HG   PRO   8          1HG       PRO   8  -1.818 -14.064  -8.429
   61   2HG   PRO   8          2HG       PRO   8  -2.397 -15.091  -9.748
   62   1HD   PRO   8          1HD       PRO   8  -0.578 -15.837  -7.693
   63   2HD   PRO   8          2HD       PRO   8  -0.984 -16.779  -9.146
   64    H    ASP   9           H        ASP   9   1.154 -11.733 -10.513
   65    HA   ASP   9           HA       ASP   9   2.649 -11.222  -8.024
   66   1HB   ASP   9          1HB       ASP   9   2.484  -9.728 -10.644
   67   2HB   ASP   9          2HB       ASP   9   3.250  -9.054  -9.206
   68    H    LYS  10           H        LYS  10  -0.248 -11.487  -8.073
   69    HA   LYS  10           HA       LYS  10  -1.012  -8.725  -7.332
   70   1HB   LYS  10          1HB       LYS  10  -2.229 -10.252  -9.243
   71   2HB   LYS  10          2HB       LYS  10  -3.185 -10.668  -7.821
   72   1HG   LYS  10          1HG       LYS  10  -4.331  -8.766  -8.362
   73   2HG   LYS  10          2HG       LYS  10  -3.008  -7.971  -7.509
   74   1HD   LYS  10          1HD       LYS  10  -3.024  -8.530 -10.488
   75   2HD   LYS  10          2HD       LYS  10  -3.451  -6.980  -9.764
   76   1HE   LYS  10          1HE       LYS  10  -1.140  -7.156  -8.579
   77   2HE   LYS  10          2HE       LYS  10  -0.773  -8.358  -9.817
   78   1HZ   LYS  10          1HZ       LYS  10  -1.743  -5.608 -10.376
   79   2HZ   LYS  10          2HZ       LYS  10  -0.114  -6.087 -10.444
   80   3HZ   LYS  10          3HZ       LYS  10  -1.240  -6.760 -11.520
   81    H    CYS  11           H        CYS  11  -3.241  -9.128  -5.906
   82    HA   CYS  11           HA       CYS  11  -3.988  -9.594  -3.784
   83   1HB   CYS  11          1HB       CYS  11  -2.531 -12.204  -4.219
   84   2HB   CYS  11          2HB       CYS  11  -3.799 -11.904  -3.033
   85    H    CYS  12           H        CYS  12  -3.051 -10.740  -1.592
   86    HA   CYS  12           HA       CYS  12  -0.268 -10.370  -1.099
   87   1HB   CYS  12          1HB       CYS  12  -1.570  -7.969  -1.238
   88   2HB   CYS  12          2HB       CYS  12  -1.731  -8.339   0.477
   89    H    LEU  13           H        LEU  13   0.001 -11.988   0.283
   90    HA   LEU  13           HA       LEU  13  -2.074 -12.918   2.031
   91   1HB   LEU  13          1HB       LEU  13   0.869 -13.580   1.972
   92   2HB   LEU  13          2HB       LEU  13  -0.339 -14.433   2.909
   93    HG   LEU  13           HG       LEU  13  -1.458 -14.780   0.532
   94   1HD1  LEU  13          1HD1      LEU  13   1.361 -13.936  -0.016
   95   2HD1  LEU  13          2HD1      LEU  13   0.672 -15.231  -0.997
   96   3HD1  LEU  13          3HD1      LEU  13  -0.099 -13.646  -0.961
   97   1HD2  LEU  13          1HD2      LEU  13   0.879 -16.236   1.770
   98   2HD2  LEU  13          2HD2      LEU  13  -0.828 -16.677   1.801
   99   3HD2  LEU  13          3HD2      LEU  13   0.098 -16.843   0.309
  100    H    GLY  14           H        GLY  14   0.734 -10.846   2.351
  101   1HA   GLY  14          1HA       GLY  14   1.640 -10.415   4.665
  102   2HA   GLY  14          2HA       GLY  14  -0.047 -10.315   5.160
  103    H    TYR  15           H        TYR  15   0.865  -8.166   5.920
  104    HA   TYR  15           HA       TYR  15   0.808  -6.170   3.738
  105   1HB   TYR  15          1HB       TYR  15  -0.563  -5.955   6.429
  106   2HB   TYR  15          2HB       TYR  15  -0.474  -4.670   5.223
  107    HD1  TYR  15           HD1      TYR  15  -1.662  -8.169   5.764
  108    HD2  TYR  15           HD2      TYR  15  -2.006  -4.583   3.424
  109    HE1  TYR  15           HE1      TYR  15  -3.641  -9.114   4.606
  110    HE2  TYR  15           HE2      TYR  15  -3.985  -5.529   2.267
  111    HH   TYR  15           HH       TYR  15  -5.817  -7.721   3.253
  112    H    GLN  16           H        GLN  16   1.360  -3.904   4.939
  113    HA   GLN  16           HA       GLN  16   4.105  -4.049   5.560
  114   1HB   GLN  16          1HB       GLN  16   2.504  -2.008   4.853
  115   2HB   GLN  16          2HB       GLN  16   2.573  -1.717   6.587
  116   1HG   GLN  16          1HG       GLN  16   5.030  -2.158   4.871
  117   2HG   GLN  16          2HG       GLN  16   4.391  -0.561   5.261
  118   2HE2  GLN  16          2HE2      GLN  16   6.298  -3.203   6.460
  119   1HE2  GLN  16          1HE2      GLN  16   6.568  -2.573   8.013
  120    H    LYS  17           H        LYS  17   1.255  -3.660   7.607
  121    HA   LYS  17           HA       LYS  17   0.897  -4.367   9.786
  122   1HB   LYS  17          1HB       LYS  17   2.859  -5.987   9.465
  123   2HB   LYS  17          2HB       LYS  17   3.857  -4.739  10.212
  124   1HG   LYS  17          1HG       LYS  17   2.368  -4.736  12.186
  125   2HG   LYS  17          2HG       LYS  17   1.388  -6.000  11.443
  126   1HD   LYS  17          1HD       LYS  17   2.807  -7.273  12.778
  127   2HD   LYS  17          2HD       LYS  17   3.700  -7.259  11.257
  128   1HE   LYS  17          1HE       LYS  17   5.279  -5.742  12.038
  129   2HE   LYS  17          2HE       LYS  17   4.178  -5.056  13.232
  130   1HZ   LYS  17          1HZ       LYS  17   4.293  -7.298  14.354
  131   2HZ   LYS  17          2HZ       LYS  17   5.615  -7.640  13.343
  132   3HZ   LYS  17          3HZ       LYS  17   5.694  -6.345  14.440
  133    H    ARG  18           H        ARG  18   3.762  -2.339   9.226
  134    HA   ARG  18           HA       ARG  18   3.018  -0.721  11.568
  135   1HB   ARG  18          1HB       ARG  18   5.558  -0.956   9.956
  136   2HB   ARG  18          2HB       ARG  18   5.281   0.384  11.070
  137   1HG   ARG  18          1HG       ARG  18   6.250  -1.065  12.561
  138   2HG   ARG  18          2HG       ARG  18   4.596  -1.664  12.683
  139   1HD   ARG  18          1HD       ARG  18   5.046  -3.565  11.472
  140   2HD   ARG  18          2HD       ARG  18   6.282  -2.779  10.498
  141    HE   ARG  18           HE       ARG  18   6.683  -4.167  13.000
  142   1HH1  ARG  18          1HH1      ARG  18   7.921  -1.686  10.862
  143   2HH1  ARG  18          2HH1      ARG  18   9.540  -1.821  11.458
  144   1HH2  ARG  18          1HH2      ARG  18   8.806  -4.310  13.747
  145   2HH2  ARG  18          2HH2      ARG  18  10.038  -3.294  13.077
  146    HA   PRO  19           HA       PRO  19   1.668   2.527   8.908
  147   1HB   PRO  19          1HB       PRO  19   2.085   4.710  10.495
  148   2HB   PRO  19          2HB       PRO  19   0.803   3.522  10.769
  149   1HG   PRO  19          1HG       PRO  19   3.296   3.956  12.278
  150   2HG   PRO  19          2HG       PRO  19   1.790   3.182  12.789
  151   1HD   PRO  19          1HD       PRO  19   4.218   1.889  11.984
  152   2HD   PRO  19          2HD       PRO  19   2.666   1.118  12.386
  153    H    LEU  20           H        LEU  20   2.393   3.791   7.276
  154    HA   LEU  20           HA       LEU  20   5.253   4.536   7.295
  155   1HB   LEU  20          1HB       LEU  20   3.704   4.664   4.774
  156   2HB   LEU  20          2HB       LEU  20   5.359   4.173   5.048
  157    HG   LEU  20           HG       LEU  20   2.880   2.503   5.535
  158   1HD1  LEU  20          1HD1      LEU  20   5.038   2.562   3.430
  159   2HD1  LEU  20          2HD1      LEU  20   4.143   1.081   3.766
  160   3HD1  LEU  20          3HD1      LEU  20   3.289   2.521   3.214
  161   1HD2  LEU  20          1HD2      LEU  20   5.162   2.325   6.996
  162   2HD2  LEU  20          2HD2      LEU  20   4.176   0.925   6.577
  163   3HD2  LEU  20          3HD2      LEU  20   5.604   1.316   5.620
  164    HA   PRO  21           HA       PRO  21   3.946   8.773   7.231
  165   1HB   PRO  21          1HB       PRO  21   6.274   9.942   6.403
  166   2HB   PRO  21          2HB       PRO  21   6.031   9.277   8.027
  167   1HG   PRO  21          1HG       PRO  21   7.637   8.209   5.789
  168   2HG   PRO  21          2HG       PRO  21   7.802   7.930   7.529
  169   1HD   PRO  21          1HD       PRO  21   6.616   6.174   5.613
  170   2HD   PRO  21          2HD       PRO  21   6.627   5.980   7.382
  171    H    GLN  22           H        GLN  22   2.838  10.016   5.820
  172    HA   GLN  22           HA       GLN  22   2.864   9.456   3.009
  173   1HB   GLN  22          1HB       GLN  22   0.846  10.224   4.294
  174   2HB   GLN  22          2HB       GLN  22   1.592  11.818   4.405
  175   1HG   GLN  22          1HG       GLN  22   1.530  10.654   1.681
  176   2HG   GLN  22          2HG       GLN  22  -0.050  11.045   2.362
  177   2HE2  GLN  22          2HE2      GLN  22  -0.101  12.802   0.661
  178   1HE2  GLN  22          1HE2      GLN  22   0.701  14.264   0.977
  179    H    VAL  23           H        VAL  23   4.883  11.349   4.951
  180    HA   VAL  23           HA       VAL  23   5.368  13.668   3.538
  181    HB   VAL  23           HB       VAL  23   6.369  13.126   5.723
  182   1HG1  VAL  23          1HG1      VAL  23   6.986  10.715   4.700
  183   2HG1  VAL  23          2HG1      VAL  23   8.532  11.526   4.451
  184   3HG1  VAL  23          3HG1      VAL  23   7.849  11.410   6.073
  185   1HG2  VAL  23          1HG2      VAL  23   7.384  14.853   4.194
  186   2HG2  VAL  23          2HG2      VAL  23   8.529  14.138   5.330
  187   3HG2  VAL  23          3HG2      VAL  23   8.519  13.619   3.645
  188    H    LEU  24           H        LEU  24   6.149  10.397   2.624
  189    HA   LEU  24           HA       LEU  24   7.530  11.472   0.245
  190   1HB   LEU  24          1HB       LEU  24   9.184   9.851   0.287
  191   2HB   LEU  24          2HB       LEU  24   9.053  10.365   1.948
  192    HG   LEU  24           HG       LEU  24   9.310   8.050   2.099
  193   1HD1  LEU  24          1HD1      LEU  24   7.275   8.913   3.325
  194   2HD1  LEU  24          2HD1      LEU  24   6.297   8.304   1.991
  195   3HD1  LEU  24          3HD1      LEU  24   7.247   7.187   2.968
  196   1HD2  LEU  24          1HD2      LEU  24   8.694   7.925  -0.497
  197   2HD2  LEU  24          2HD2      LEU  24   8.642   6.495   0.534
  198   3HD2  LEU  24          3HD2      LEU  24   7.154   7.362   0.152
  199    H    LEU  25           H        LEU  25   4.806   9.890   1.236
  200    HA   LEU  25           HA       LEU  25   4.690   7.822  -0.754
  201   1HB   LEU  25          1HB       LEU  25   3.329   8.234   1.508
  202   2HB   LEU  25          2HB       LEU  25   2.211   8.986   0.393
  203    HG   LEU  25           HG       LEU  25   1.936   6.903  -0.812
  204   1HD1  LEU  25          1HD1      LEU  25   4.330   6.138   0.794
  205   2HD1  LEU  25          2HD1      LEU  25   3.139   4.876   0.480
  206   3HD1  LEU  25          3HD1      LEU  25   3.909   5.715  -0.866
  207   1HD2  LEU  25          1HD2      LEU  25   1.675   6.939   2.167
  208   2HD2  LEU  25          2HD2      LEU  25   0.416   6.874   0.934
  209   3HD2  LEU  25          3HD2      LEU  25   1.345   5.425   1.324
  210    H    SER  26           H        SER  26   2.801   7.834  -2.349
  211    HA   SER  26           HA       SER  26   2.543  10.512  -3.583
  212   1HB   SER  26          1HB       SER  26   4.112   8.646  -4.678
  213   2HB   SER  26          2HB       SER  26   2.571   8.108  -5.338
  214    HG   SER  26           HG       SER  26   3.658   9.690  -6.642
  215    H    SER  27           H        SER  27   1.191   7.228  -3.371
  216    HA   SER  27           HA       SER  27  -1.473   8.118  -3.028
  217   1HB   SER  27          1HB       SER  27  -2.458   7.619  -5.169
  218   2HB   SER  27          2HB       SER  27  -1.153   8.769  -5.433
  219    HG   SER  27           HG       SER  27  -1.412   6.575  -6.679
  220    H    TRP  28           H        TRP  28  -2.973   6.127  -3.964
  221    HA   TRP  28           HA       TRP  28  -1.685   3.569  -3.294
  222   1HB   TRP  28          1HB       TRP  28  -3.616   3.002  -1.798
  223   2HB   TRP  28          2HB       TRP  28  -2.598   4.293  -1.161
  224    HD1  TRP  28           HD1      TRP  28  -3.565   6.763  -1.178
  225    HE1  TRP  28           HE1      TRP  28  -5.962   7.685  -1.400
  226    HE3  TRP  28           HE3      TRP  28  -5.959   2.585  -2.885
  227    HZ2  TRP  28           HZ2      TRP  28  -8.551   6.763  -2.214
  228    HZ3  TRP  28           HZ3      TRP  28  -8.383   2.637  -3.379
  229    HH2  TRP  28           HH2      TRP  28  -9.684   4.719  -3.042
  230    H    TYR  29           H        TYR  29  -2.751   1.756  -4.196
  231    HA   TYR  29           HA       TYR  29  -5.022   2.413  -5.960
  232   1HB   TYR  29          1HB       TYR  29  -4.103   1.319  -7.810
  233   2HB   TYR  29          2HB       TYR  29  -2.731   2.176  -7.128
  234    HD1  TYR  29           HD1      TYR  29  -4.381  -1.142  -7.371
  235    HD2  TYR  29           HD2      TYR  29  -0.812   0.996  -6.301
  236    HE1  TYR  29           HE1      TYR  29  -3.145  -3.283  -7.215
  237    HE2  TYR  29           HE2      TYR  29   0.421  -1.145  -6.145
  238    HH   TYR  29           HH       TYR  29  -0.685  -3.877  -5.685
  239    HA   PRO  30           HA       PRO  30  -6.762  -1.118  -3.910
  240   1HB   PRO  30          1HB       PRO  30  -9.047  -1.354  -5.387
  241   2HB   PRO  30          2HB       PRO  30  -8.791  -0.101  -4.162
  242   1HG   PRO  30          1HG       PRO  30  -8.803   0.132  -7.110
  243   2HG   PRO  30          2HG       PRO  30  -9.140   1.358  -5.880
  244   1HD   PRO  30          1HD       PRO  30  -6.724   1.049  -7.352
  245   2HD   PRO  30          2HD       PRO  30  -6.996   2.131  -5.967
  246    H    THR  31           H        THR  31  -6.943  -3.328  -4.117
  247    HA   THR  31           HA       THR  31  -5.620  -4.585  -6.311
  248    HB   THR  31           HB       THR  31  -6.521  -6.706  -5.142
  249    HG1  THR  31           HG1      THR  31  -8.200  -5.862  -4.006
  250   1HG2  THR  31          1HG2      THR  31  -4.798  -4.676  -3.697
  251   2HG2  THR  31          2HG2      THR  31  -4.917  -6.378  -3.247
  252   3HG2  THR  31          3HG2      THR  31  -4.247  -5.925  -4.814
  253    H    SER  32           H        SER  32  -6.879  -6.764  -7.082
  254    HA   SER  32           HA       SER  32  -8.987  -5.754  -8.767
  255   1HB   SER  32          1HB       SER  32  -7.381  -8.233  -8.616
  256   2HB   SER  32          2HB       SER  32  -9.007  -8.415  -9.267
  257    HG   SER  32           HG       SER  32  -7.549  -7.866 -10.909
  258    H    GLN  33           H        GLN  33  -9.266  -8.957  -7.279
  259    HA   GLN  33           HA       GLN  33 -11.167  -8.408  -5.307
  260   1HB   GLN  33          1HB       GLN  33 -12.331  -7.764  -7.664
  261   2HB   GLN  33          2HB       GLN  33 -12.724  -9.479  -7.595
  262   1HG   GLN  33          1HG       GLN  33 -14.522  -8.419  -6.473
  263   2HG   GLN  33          2HG       GLN  33 -13.491  -9.025  -5.177
  264   2HE2  GLN  33          2HE2      GLN  33 -12.821  -7.501  -3.653
  265   1HE2  GLN  33          1HE2      GLN  33 -12.900  -5.820  -3.871
  266    H    LEU  34           H        LEU  34 -10.217 -10.586  -7.906
  267    HA   LEU  34           HA       LEU  34 -11.271 -12.992  -7.037
  268   1HB   LEU  34          1HB       LEU  34  -8.690 -12.362  -8.440
  269   2HB   LEU  34          2HB       LEU  34  -9.154 -14.007  -8.072
  270    HG   LEU  34           HG       LEU  34  -9.771 -13.627 -10.332
  271   1HD1  LEU  34          1HD1      LEU  34 -11.534 -14.626  -8.723
  272   2HD1  LEU  34          2HD1      LEU  34 -12.361 -13.076  -8.888
  273   3HD1  LEU  34          3HD1      LEU  34 -12.089 -14.085 -10.309
  274   1HD2  LEU  34          1HD2      LEU  34  -9.664 -11.083 -10.047
  275   2HD2  LEU  34          2HD2      LEU  34 -10.909 -11.693 -11.137
  276   3HD2  LEU  34          3HD2      LEU  34 -11.340 -11.178  -9.506
  277    H    CYS  35           H        CYS  35  -8.651 -11.165  -5.656
  278    HA   CYS  35           HA       CYS  35  -7.297 -13.200  -4.264
  279   1HB   CYS  35          1HB       CYS  35  -7.729 -10.360  -3.317
  280   2HB   CYS  35          2HB       CYS  35  -6.434 -11.452  -2.829
  281    H    SER  36           H        SER  36  -7.477 -13.971  -2.148
  282    HA   SER  36           HA       SER  36 -10.153 -14.319  -1.198
  283   1HB   SER  36          1HB       SER  36  -8.066 -15.888  -0.952
  284   2HB   SER  36          2HB       SER  36  -7.752 -14.926   0.490
  285    HG   SER  36           HG       SER  36  -9.089 -16.780   0.871
  286    H    LYS  37           H        LYS  37  -7.292 -12.815   0.282
  287    HA   LYS  37           HA       LYS  37  -9.106 -10.986   1.735
  288   1HB   LYS  37          1HB       LYS  37  -7.370 -11.015   3.589
  289   2HB   LYS  37          2HB       LYS  37  -8.312 -12.494   3.411
  290   1HG   LYS  37          1HG       LYS  37  -6.441 -13.412   1.981
  291   2HG   LYS  37          2HG       LYS  37  -5.489 -11.996   2.426
  292   1HD   LYS  37          1HD       LYS  37  -6.182 -12.714   4.883
  293   2HD   LYS  37          2HD       LYS  37  -6.373 -14.295   4.127
  294   1HE   LYS  37          1HE       LYS  37  -4.072 -14.185   3.272
  295   2HE   LYS  37          2HE       LYS  37  -3.875 -12.582   3.982
  296   1HZ   LYS  37          1HZ       LYS  37  -4.381 -13.610   6.166
  297   2HZ   LYS  37          2HZ       LYS  37  -4.335 -15.136   5.421
  298   3HZ   LYS  37          3HZ       LYS  37  -2.940 -14.171   5.463
  299    HA   PRO  38           HA       PRO  38  -5.889  -8.596  -0.583
  300   1HB   PRO  38          1HB       PRO  38  -7.599  -7.074  -2.065
  301   2HB   PRO  38          2HB       PRO  38  -7.013  -8.665  -2.570
  302   1HG   PRO  38          1HG       PRO  38  -9.690  -7.871  -1.601
  303   2HG   PRO  38          2HG       PRO  38  -9.221  -9.241  -2.617
  304   1HD   PRO  38          1HD       PRO  38  -9.817  -9.302   0.173
  305   2HD   PRO  38          2HD       PRO  38  -9.172 -10.634  -0.815
  306    H    GLY  39           H        GLY  39  -6.195  -6.008  -1.134
  307   1HA   GLY  39          1HA       GLY  39  -5.907  -4.625   1.249
  308   2HA   GLY  39          2HA       GLY  39  -7.602  -4.446   0.794
  309    H    VAL  40           H        VAL  40  -4.643  -3.026   0.559
  310    HA   VAL  40           HA       VAL  40  -4.890  -2.050  -2.174
  311    HB   VAL  40           HB       VAL  40  -5.022  -0.074   0.115
  312   1HG1  VAL  40          1HG1      VAL  40  -4.009   0.355  -2.314
  313   2HG1  VAL  40          2HG1      VAL  40  -5.716   0.542  -2.713
  314   3HG1  VAL  40          3HG1      VAL  40  -4.981   1.570  -1.484
  315   1HG2  VAL  40          1HG2      VAL  40  -7.171  -1.139  -1.731
  316   2HG2  VAL  40          2HG2      VAL  40  -7.143  -1.223   0.030
  317   3HG2  VAL  40          3HG2      VAL  40  -7.348   0.332  -0.775
  318    H    ILE  41           H        ILE  41  -2.957  -1.714  -3.007
  319    HA   ILE  41           HA       ILE  41  -0.632  -1.754  -1.224
  320    HB   ILE  41           HB       ILE  41  -0.987  -2.185  -4.195
  321   1HG1  ILE  41          1HG1      ILE  41   0.258  -4.345  -3.409
  322   2HG1  ILE  41          2HG1      ILE  41  -0.270  -3.849  -1.801
  323   1HG2  ILE  41          1HG2      ILE  41   1.523  -1.646  -2.628
  324   2HG2  ILE  41          2HG2      ILE  41   1.570  -2.789  -3.972
  325   3HG2  ILE  41          3HG2      ILE  41   1.089  -1.115  -4.255
  326   1HD1  ILE  41          1HD1      ILE  41  -2.237  -3.941  -4.078
  327   2HD1  ILE  41          2HD1      ILE  41  -1.825  -5.413  -3.200
  328   3HD1  ILE  41          3HD1      ILE  41  -2.545  -4.049  -2.345
  329    H    PHE  42           H        PHE  42   0.529   0.001  -0.797
  330    HA   PHE  42           HA       PHE  42  -0.258   2.569  -1.853
  331   1HB   PHE  42          1HB       PHE  42   1.727   1.612   0.180
  332   2HB   PHE  42          2HB       PHE  42   1.882   3.244  -0.472
  333    HD1  PHE  42           HD1      PHE  42  -0.366   4.640  -0.554
  334    HD2  PHE  42           HD2      PHE  42   0.325   1.262   2.007
  335    HE1  PHE  42           HE1      PHE  42  -2.177   5.412   0.953
  336    HE2  PHE  42           HE2      PHE  42  -1.485   2.036   3.515
  337    HZ   PHE  42           HZ       PHE  42  -2.738   4.107   2.987
  338    H    LEU  43           H        LEU  43   1.324   4.083  -2.763
  339    HA   LEU  43           HA       LEU  43   3.530   2.810  -4.245
  340   1HB   LEU  43          1HB       LEU  43   1.685   4.772  -5.575
  341   2HB   LEU  43          2HB       LEU  43   2.906   3.761  -6.313
  342    HG   LEU  43           HG       LEU  43   0.622   2.401  -4.958
  343   1HD1  LEU  43          1HD1      LEU  43  -0.019   4.455  -6.604
  344   2HD1  LEU  43          2HD1      LEU  43   0.212   3.178  -7.797
  345   3HD1  LEU  43          3HD1      LEU  43  -0.969   2.974  -6.504
  346   1HD2  LEU  43          1HD2      LEU  43   2.763   1.520  -6.355
  347   2HD2  LEU  43          2HD2      LEU  43   1.223   0.662  -6.332
  348   3HD2  LEU  43          3HD2      LEU  43   1.618   1.728  -7.680
  349    H    THR  44           H        THR  44   5.078   3.870  -3.010
  350    HA   THR  44           HA       THR  44   4.927   6.624  -2.322
  351    HB   THR  44           HB       THR  44   7.274   6.410  -1.707
  352    HG1  THR  44           HG1      THR  44   7.077   3.954  -3.106
  353   1HG2  THR  44          1HG2      THR  44   5.338   4.241  -1.024
  354   2HG2  THR  44          2HG2      THR  44   7.003   4.072  -0.465
  355   3HG2  THR  44          3HG2      THR  44   6.050   5.477   0.014
  356    H    LYS  45           H        LYS  45   6.507   8.271  -3.092
  357    HA   LYS  45           HA       LYS  45   6.211   8.767  -5.838
  358   1HB   LYS  45          1HB       LYS  45   8.283   9.887  -3.935
  359   2HB   LYS  45          2HB       LYS  45   7.881  10.556  -5.517
  360   1HG   LYS  45          1HG       LYS  45   5.846  11.371  -4.811
  361   2HG   LYS  45          2HG       LYS  45   5.628  10.091  -3.617
  362   1HD   LYS  45          1HD       LYS  45   6.064  11.957  -2.269
  363   2HD   LYS  45          2HD       LYS  45   7.659  11.216  -2.413
  364   1HE   LYS  45          1HE       LYS  45   8.169  13.417  -2.948
  365   2HE   LYS  45          2HE       LYS  45   7.832  12.767  -4.552
  366   1HZ   LYS  45          1HZ       LYS  45   5.771  14.056  -2.855
  367   2HZ   LYS  45          2HZ       LYS  45   6.688  14.903  -4.008
  368   3HZ   LYS  45          3HZ       LYS  45   5.655  13.650  -4.501
  369    H    ARG  46           H        ARG  46   9.189   7.882  -4.085
  370    HA   ARG  46           HA       ARG  46  10.152   6.573  -6.558
  371   1HB   ARG  46          1HB       ARG  46  11.265   8.788  -6.103
  372   2HB   ARG  46          2HB       ARG  46  11.899   8.079  -4.616
  373   1HG   ARG  46          1HG       ARG  46  13.322   6.643  -5.741
  374   2HG   ARG  46          2HG       ARG  46  12.286   6.568  -7.167
  375   1HD   ARG  46          1HD       ARG  46  12.888   9.064  -7.485
  376   2HD   ARG  46          2HD       ARG  46  14.195   8.753  -6.348
  377    HE   ARG  46           HE       ARG  46  15.305   7.602  -8.027
  378   1HH1  ARG  46          1HH1      ARG  46  11.931   7.949  -8.889
  379   2HH1  ARG  46          2HH1      ARG  46  12.154   7.309 -10.480
  380   1HH2  ARG  46          1HH2      ARG  46  15.552   6.773 -10.109
  381   2HH2  ARG  46          2HH2      ARG  46  14.186   6.648 -11.167
  382    H    GLY  47           H        GLY  47   9.229   6.023  -3.429
  383   1HA   GLY  47          1HA       GLY  47   9.779   4.472  -1.810
  384   2HA   GLY  47          2HA       GLY  47  11.365   4.316  -2.556
  385    H    ARG  48           H        ARG  48   8.394   2.842  -2.026
  386    HA   ARG  48           HA       ARG  48   8.481   1.092  -4.358
  387   1HB   ARG  48          1HB       ARG  48   9.528   0.312  -1.698
  388   2HB   ARG  48          2HB       ARG  48   8.451  -0.853  -2.464
  389   1HG   ARG  48          1HG       ARG  48   9.845  -0.713  -4.536
  390   2HG   ARG  48          2HG       ARG  48  10.964   0.340  -3.668
  391   1HD   ARG  48          1HD       ARG  48  11.977  -1.702  -3.289
  392   2HD   ARG  48          2HD       ARG  48  10.908  -1.631  -1.893
  393    HE   ARG  48           HE       ARG  48   9.773  -3.444  -2.766
  394   1HH1  ARG  48          1HH1      ARG  48  11.524  -1.847  -5.343
  395   2HH1  ARG  48          2HH1      ARG  48  11.104  -3.041  -6.522
  396   1HH2  ARG  48          1HH2      ARG  48   9.248  -4.977  -4.334
  397   2HH2  ARG  48          2HH2      ARG  48   9.826  -4.798  -5.957
  398    H    GLN  49           H        GLN  49   6.890  -0.909  -3.666
  399    HA   GLN  49           HA       GLN  49   4.371   0.434  -2.978
  400   1HB   GLN  49          1HB       GLN  49   5.112  -2.000  -4.537
  401   2HB   GLN  49          2HB       GLN  49   3.543  -1.983  -3.731
  402   1HG   GLN  49          1HG       GLN  49   2.715  -0.320  -5.074
  403   2HG   GLN  49          2HG       GLN  49   4.281   0.474  -5.232
  404   2HE2  GLN  49          2HE2      GLN  49   2.739  -2.650  -6.195
  405   1HE2  GLN  49          1HE2      GLN  49   3.470  -2.700  -7.727
  406    H    VAL  50           H        VAL  50   2.878  -0.571  -1.496
  407    HA   VAL  50           HA       VAL  50   3.925  -2.667   0.256
  408    HB   VAL  50           HB       VAL  50   3.119   0.023   1.382
  409   1HG1  VAL  50          1HG1      VAL  50   2.899  -2.355   2.620
  410   2HG1  VAL  50          2HG1      VAL  50   4.606  -2.044   2.929
  411   3HG1  VAL  50          3HG1      VAL  50   3.388  -0.891   3.471
  412   1HG2  VAL  50          1HG2      VAL  50   5.838  -1.262   1.021
  413   2HG2  VAL  50          2HG2      VAL  50   5.273   0.244   0.296
  414   3HG2  VAL  50          3HG2      VAL  50   5.539   0.148   2.037
  415    H    CYS  51           H        CYS  51   2.345  -3.978   0.895
  416    HA   CYS  51           HA       CYS  51  -0.384  -3.474   0.150
  417   1HB   CYS  51          1HB       CYS  51   0.889  -5.655   1.820
  418   2HB   CYS  51          2HB       CYS  51  -0.819  -5.619   1.385
  419    H    ALA  52           H        ALA  52  -1.791  -2.292   1.278
  420    HA   ALA  52           HA       ALA  52  -1.256  -1.850   4.151
  421   1HB   ALA  52          1HB       ALA  52  -1.450   0.088   2.402
  422   2HB   ALA  52          2HB       ALA  52  -2.237   0.249   3.972
  423   3HB   ALA  52          3HB       ALA  52  -3.183  -0.200   2.552
  424    H    ASP  53           H        ASP  53  -2.836  -2.146   5.666
  425    HA   ASP  53           HA       ASP  53  -5.144  -3.759   4.802
  426   1HB   ASP  53          1HB       ASP  53  -3.537  -3.568   7.302
  427   2HB   ASP  53          2HB       ASP  53  -5.252  -3.942   7.473
  428    H    LYS  54           H        LYS  54  -7.055  -2.797   4.649
  429    HA   LYS  54           HA       LYS  54  -7.558  -0.120   5.304
  430   1HB   LYS  54          1HB       LYS  54  -9.969  -0.712   5.022
  431   2HB   LYS  54          2HB       LYS  54  -8.953  -1.275   3.694
  432   1HG   LYS  54          1HG       LYS  54  -8.926  -3.519   4.556
  433   2HG   LYS  54          2HG       LYS  54  -9.686  -3.009   6.064
  434   1HD   LYS  54          1HD       LYS  54 -11.778  -2.805   5.107
  435   2HD   LYS  54          2HD       LYS  54 -11.126  -2.420   3.513
  436   1HE   LYS  54          1HE       LYS  54 -10.366  -4.779   3.285
  437   2HE   LYS  54          2HE       LYS  54 -11.113  -5.148   4.840
  438   1HZ   LYS  54          1HZ       LYS  54 -12.552  -4.057   2.483
  439   2HZ   LYS  54          2HZ       LYS  54 -12.548  -5.689   2.944
  440   3HZ   LYS  54          3HZ       LYS  54 -13.245  -4.521   3.963
  441    H    SER  55           H        SER  55  -7.822  -3.031   7.219
  442    HA   SER  55           HA       SER  55  -9.518  -2.111   9.264
  443   1HB   SER  55          1HB       SER  55  -7.551  -4.285   8.951
  444   2HB   SER  55          2HB       SER  55  -7.843  -3.776  10.611
  445    HG   SER  55           HG       SER  55  -9.619  -4.873  10.465
  446    H    LYS  56           H        LYS  56  -6.122  -1.566   8.619
  447    HA   LYS  56           HA       LYS  56  -5.322  -0.615  11.151
  448   1HB   LYS  56          1HB       LYS  56  -4.321   0.144   8.396
  449   2HB   LYS  56          2HB       LYS  56  -3.513   0.551   9.909
  450   1HG   LYS  56          1HG       LYS  56  -4.216  -2.300   9.211
  451   2HG   LYS  56          2HG       LYS  56  -2.699  -1.566   8.691
  452   1HD   LYS  56          1HD       LYS  56  -1.857  -1.449  10.833
  453   2HD   LYS  56          2HD       LYS  56  -3.453  -1.271  11.563
  454   1HE   LYS  56          1HE       LYS  56  -3.730  -3.754  10.576
  455   2HE   LYS  56          2HE       LYS  56  -1.981  -3.747  10.803
  456   1HZ   LYS  56          1HZ       LYS  56  -2.542  -2.807  13.104
  457   2HZ   LYS  56          2HZ       LYS  56  -4.108  -3.400  12.815
  458   3HZ   LYS  56          3HZ       LYS  56  -2.784  -4.464  12.834
  459    H    ASP  57           H        ASP  57  -4.502   1.802  11.272
  460    HA   ASP  57           HA       ASP  57  -6.863   3.492  10.713
  461   1HB   ASP  57          1HB       ASP  57  -4.906   3.407  12.975
  462   2HB   ASP  57          2HB       ASP  57  -5.676   4.940  12.565
  463    H    TRP  58           H        TRP  58  -3.394   3.203  10.370
  464    HA   TRP  58           HA       TRP  58  -3.021   5.919   9.485
  465   1HB   TRP  58          1HB       TRP  58  -0.743   5.196   8.883
  466   2HB   TRP  58          2HB       TRP  58  -1.162   4.752  10.534
  467    HD1  TRP  58           HD1      TRP  58  -1.519   2.180  11.075
  468    HE1  TRP  58           HE1      TRP  58  -0.785   0.044   9.837
  469    HE3  TRP  58           HE3      TRP  58  -0.397   4.153   6.510
  470    HZ2  TRP  58           HZ2      TRP  58   0.158  -0.730   7.232
  471    HZ3  TRP  58           HZ3      TRP  58   0.417   2.707   4.672
  472    HH2  TRP  58           HH2      TRP  58   0.692   0.270   5.028
  473    H    VAL  59           H        VAL  59  -3.821   2.884   7.982
  474    HA   VAL  59           HA       VAL  59  -3.123   3.671   5.307
  475    HB   VAL  59           HB       VAL  59  -5.099   1.545   6.168
  476   1HG1  VAL  59          1HG1      VAL  59  -3.479   2.010   3.646
  477   2HG1  VAL  59          2HG1      VAL  59  -4.387   0.535   3.981
  478   3HG1  VAL  59          3HG1      VAL  59  -5.234   2.071   3.801
  479   1HG2  VAL  59          1HG2      VAL  59  -2.866   1.280   7.252
  480   2HG2  VAL  59          2HG2      VAL  59  -3.207  -0.005   6.094
  481   3HG2  VAL  59          3HG2      VAL  59  -2.118   1.310   5.656
  482    H    LYS  60           H        LYS  60  -5.967   3.864   7.348
  483    HA   LYS  60           HA       LYS  60  -7.839   4.569   5.333
  484   1HB   LYS  60          1HB       LYS  60  -8.304   3.813   7.749
  485   2HB   LYS  60          2HB       LYS  60  -7.998   5.491   8.198
  486   1HG   LYS  60          1HG       LYS  60  -9.797   6.283   6.834
  487   2HG   LYS  60          2HG       LYS  60  -9.974   4.717   6.041
  488   1HD   LYS  60          1HD       LYS  60 -10.524   3.754   8.334
  489   2HD   LYS  60          2HD       LYS  60 -10.633   5.419   8.909
  490   1HE   LYS  60          1HE       LYS  60 -12.849   4.982   8.318
  491   2HE   LYS  60          2HE       LYS  60 -12.230   5.733   6.847
  492   1HZ   LYS  60          1HZ       LYS  60 -12.089   2.812   7.229
  493   2HZ   LYS  60          2HZ       LYS  60 -13.510   3.543   6.649
  494   3HZ   LYS  60          3HZ       LYS  60 -12.062   3.702   5.781
  495    H    LYS  61           H        LYS  61  -5.796   6.487   7.511
  496    HA   LYS  61           HA       LYS  61  -6.759   9.033   6.781
  497   1HB   LYS  61          1HB       LYS  61  -5.085   8.299   8.675
  498   2HB   LYS  61          2HB       LYS  61  -3.865   8.629   7.444
  499   1HG   LYS  61          1HG       LYS  61  -4.745  10.900   7.147
  500   2HG   LYS  61          2HG       LYS  61  -6.014  10.578   8.330
  501   1HD   LYS  61          1HD       LYS  61  -3.181  10.102   9.157
  502   2HD   LYS  61          2HD       LYS  61  -3.737  11.772   9.038
  503   1HE   LYS  61          1HE       LYS  61  -5.604  11.285  10.550
  504   2HE   LYS  61          2HE       LYS  61  -5.118   9.592  10.631
  505   1HZ   LYS  61          1HZ       LYS  61  -3.328  11.822  11.407
  506   2HZ   LYS  61          2HZ       LYS  61  -4.349  11.032  12.511
  507   3HZ   LYS  61          3HZ       LYS  61  -3.121  10.167  11.716
  508    H    LEU  62           H        LEU  62  -4.064   7.107   5.491
  509    HA   LEU  62           HA       LEU  62  -3.181   8.987   3.576
  510   1HB   LEU  62          1HB       LEU  62  -3.052   5.979   3.558
  511   2HB   LEU  62          2HB       LEU  62  -2.225   7.003   2.407
  512    HG   LEU  62           HG       LEU  62  -1.714   7.413   5.327
  513   1HD1  LEU  62          1HD1      LEU  62  -1.567   4.961   4.914
  514   2HD1  LEU  62          2HD1      LEU  62  -0.417   5.274   3.614
  515   3HD1  LEU  62          3HD1      LEU  62   0.002   5.675   5.279
  516   1HD2  LEU  62          1HD2      LEU  62  -0.194   7.716   2.728
  517   2HD2  LEU  62          2HD2      LEU  62  -0.657   8.980   3.867
  518   3HD2  LEU  62          3HD2      LEU  62   0.602   7.822   4.298
  519    H    MET  63           H        MET  63  -5.475   6.304   3.388
  520    HA   MET  63           HA       MET  63  -6.098   6.409   0.668
  521   1HB   MET  63          1HB       MET  63  -7.640   5.575   3.101
  522   2HB   MET  63          2HB       MET  63  -8.442   5.631   1.532
  523   1HG   MET  63          1HG       MET  63  -6.402   4.274   0.677
  524   2HG   MET  63          2HG       MET  63  -6.095   3.940   2.381
  525   1HE   MET  63          1HE       MET  63  -7.121   2.538  -0.517
  526   2HE   MET  63          2HE       MET  63  -8.694   1.752  -0.393
  527   3HE   MET  63          3HE       MET  63  -8.604   3.494  -0.639
  528    H    GLN  64           H        GLN  64  -7.192   8.413   3.328
  529    HA   GLN  64           HA       GLN  64  -9.123   9.824   1.648
  530   1HB   GLN  64          1HB       GLN  64  -8.315  10.093   4.546
  531   2HB   GLN  64          2HB       GLN  64  -9.421  11.219   3.755
  532   1HG   GLN  64          1HG       GLN  64 -10.786   9.175   3.059
  533   2HG   GLN  64          2HG       GLN  64  -9.795   8.250   4.188
  534   2HE2  GLN  64          2HE2      GLN  64 -11.449  11.466   4.288
  535   1HE2  GLN  64          1HE2      GLN  64 -12.164  11.205   5.805
  536    H    GLN  65           H        GLN  65  -5.925  10.252   3.021
  537    HA   GLN  65           HA       GLN  65  -5.689  13.042   2.459
  538   1HB   GLN  65          1HB       GLN  65  -3.811  10.851   3.227
  539   2HB   GLN  65          2HB       GLN  65  -3.140  12.343   2.570
  540   1HG   GLN  65          1HG       GLN  65  -5.239  12.742   4.612
  541   2HG   GLN  65          2HG       GLN  65  -3.775  11.967   5.209
  542   2HE2  GLN  65          2HE2      GLN  65  -1.808  13.216   5.246
  543   1HE2  GLN  65          1HE2      GLN  65  -1.787  14.880   4.911
  544    H    LEU  66           H        LEU  66  -4.599  10.104   0.804
  545    HA   LEU  66           HA       LEU  66  -3.823  11.709  -1.539
  546   1HB   LEU  66          1HB       LEU  66  -3.424   8.754  -1.126
  547   2HB   LEU  66          2HB       LEU  66  -2.653   9.782  -2.315
  548    HG   LEU  66           HG       LEU  66  -1.801  10.996  -0.055
  549   1HD1  LEU  66          1HD1      LEU  66  -2.561   8.188   0.649
  550   2HD1  LEU  66          2HD1      LEU  66  -1.075   8.848   1.332
  551   3HD1  LEU  66          3HD1      LEU  66  -2.618   9.646   1.641
  552   1HD2  LEU  66          1HD2      LEU  66  -0.409  10.146  -1.922
  553   2HD2  LEU  66          2HD2      LEU  66   0.290   9.730  -0.358
  554   3HD2  LEU  66          3HD2      LEU  66  -0.575   8.508  -1.290
  555    HA   PRO  67           HA       PRO  67  -7.471  10.381  -3.624
  556   1HB   PRO  67          1HB       PRO  67  -6.692  10.690  -6.232
  557   2HB   PRO  67          2HB       PRO  67  -7.089  12.034  -5.151
  558   1HG   PRO  67          1HG       PRO  67  -4.442  11.111  -6.109
  559   2HG   PRO  67          2HG       PRO  67  -4.956  12.726  -5.595
  560   1HD   PRO  67          1HD       PRO  67  -3.451  10.881  -4.060
  561   2HD   PRO  67          2HD       PRO  67  -4.224  12.368  -3.460
  562    H    VAL  68           H        VAL  68  -5.302   9.230  -6.181
  563    HA   VAL  68           HA       VAL  68  -4.969   6.578  -5.472
  564    HB   VAL  68           HB       VAL  68  -7.710   7.072  -5.879
  565   1HG1  VAL  68          1HG1      VAL  68  -7.106   6.981  -8.400
  566   2HG1  VAL  68          2HG1      VAL  68  -6.875   5.255  -8.122
  567   3HG1  VAL  68          3HG1      VAL  68  -8.447   5.992  -7.820
  568   1HG2  VAL  68          1HG2      VAL  68  -6.366   5.233  -4.640
  569   2HG2  VAL  68          2HG2      VAL  68  -7.955   4.826  -5.288
  570   3HG2  VAL  68          3HG2      VAL  68  -6.497   4.339  -6.154
  571    H    THR  69           H        THR  69  -4.056   5.317  -7.196
  572    HA   THR  69           HA       THR  69  -2.596   6.845  -9.061
  573    HB   THR  69           HB       THR  69  -1.813   4.649  -8.293
  574    HG1  THR  69           HG1      THR  69  -1.062   4.015 -10.266
  575   1HG2  THR  69          1HG2      THR  69  -4.077   3.563  -8.258
  576   2HG2  THR  69          2HG2      THR  69  -4.015   3.486 -10.019
  577   3HG2  THR  69          3HG2      THR  69  -2.840   2.593  -9.057
  578    H    ALA  70           H        ALA  70  -5.497   4.841  -9.470
  579    HA   ALA  70           HA       ALA  70  -6.317   6.445 -11.741
  580   1HB   ALA  70          1HB       ALA  70  -6.631   4.287 -13.131
  581   2HB   ALA  70          2HB       ALA  70  -5.015   4.988 -13.049
  582   3HB   ALA  70          3HB       ALA  70  -5.421   3.589 -12.055
  583    H    ARG  71           H        ARG  71  -7.004   3.116 -10.679
  584    HA   ARG  71           HA       ARG  71  -8.937   2.115  -9.939
  585   1HB   ARG  71          1HB       ARG  71  -8.634   4.024  -8.203
  586   2HB   ARG  71          2HB       ARG  71  -9.954   4.809  -9.071
  587   1HG   ARG  71          1HG       ARG  71 -11.037   2.367  -8.823
  588   2HG   ARG  71          2HG       ARG  71  -9.987   2.337  -7.404
  589   1HD   ARG  71          1HD       ARG  71 -11.908   3.298  -6.515
  590   2HD   ARG  71          2HD       ARG  71 -10.988   4.729  -6.971
  591    HE   ARG  71           HE       ARG  71 -12.670   5.219  -8.472
  592   1HH1  ARG  71          1HH1      ARG  71 -12.719   1.782  -7.805
  593   2HH1  ARG  71          2HH1      ARG  71 -14.127   1.501  -8.769
  594   1HH2  ARG  71          1HH2      ARG  71 -14.504   4.807  -9.719
  595   2HH2  ARG  71          2HH2      ARG  71 -15.131   3.197  -9.844

  No H/Q in entry =         595
  Start of MODEL   31
    1    H1   LEU   1           H1       LEU   1 -19.586 -14.388   3.417
    2    H2   LEU   1           H2       LEU   1 -19.692 -15.909   4.169
    3    H3   LEU   1           H3       LEU   1 -20.505 -14.576   4.834
    4    HA   LEU   1           HA       LEU   1 -18.555 -13.571   5.575
    5   1HB   LEU   1          1HB       LEU   1 -19.240 -15.651   6.822
    6   2HB   LEU   1          2HB       LEU   1 -18.064 -16.549   5.860
    7    HG   LEU   1           HG       LEU   1 -16.405 -14.668   6.666
    8   1HD1  LEU   1          1HD1      LEU   1 -18.634 -14.591   8.719
    9   2HD1  LEU   1          2HD1      LEU   1 -17.009 -13.977   9.019
   10   3HD1  LEU   1          3HD1      LEU   1 -18.013 -13.240   7.770
   11   1HD2  LEU   1          1HD2      LEU   1 -16.707 -17.239   7.306
   12   2HD2  LEU   1          2HD2      LEU   1 -15.594 -16.204   8.199
   13   3HD2  LEU   1          3HD2      LEU   1 -17.193 -16.552   8.855
   14    H    GLY   2           H        GLY   2 -17.650 -16.463   3.688
   15   1HA   GLY   2          1HA       GLY   2 -15.076 -16.421   3.245
   16   2HA   GLY   2          2HA       GLY   2 -15.485 -14.914   2.431
   17    H    ALA   3           H        ALA   3 -14.302 -17.081   1.111
   18    HA   ALA   3           HA       ALA   3 -16.116 -18.801  -0.202
   19   1HB   ALA   3          1HB       ALA   3 -15.889 -17.522  -2.480
   20   2HB   ALA   3          2HB       ALA   3 -15.686 -16.106  -1.448
   21   3HB   ALA   3          3HB       ALA   3 -17.162 -17.066  -1.348
   22    H    SER   4           H        SER   4 -15.135 -19.765  -2.197
   23    HA   SER   4           HA       SER   4 -12.441 -20.495  -1.700
   24   1HB   SER   4          1HB       SER   4 -14.099 -20.849  -4.207
   25   2HB   SER   4          2HB       SER   4 -12.567 -21.655  -3.878
   26    HG   SER   4           HG       SER   4 -15.055 -22.265  -3.026
   27    H    TRP   5           H        TRP   5 -10.747 -20.357  -3.484
   28    HA   TRP   5           HA       TRP   5 -10.809 -17.841  -4.981
   29   1HB   TRP   5          1HB       TRP   5  -8.555 -17.206  -4.094
   30   2HB   TRP   5          2HB       TRP   5  -9.838 -17.116  -2.887
   31    HD1  TRP   5           HD1      TRP   5  -9.912 -19.018  -1.013
   32    HE1  TRP   5           HE1      TRP   5  -8.085 -20.599  -0.111
   33    HE3  TRP   5           HE3      TRP   5  -6.435 -18.557  -4.725
   34    HZ2  TRP   5           HZ2      TRP   5  -5.492 -21.543  -0.866
   35    HZ3  TRP   5           HZ3      TRP   5  -4.298 -19.807  -4.609
   36    HH2  TRP   5           HH2      TRP   5  -3.822 -21.298  -2.686
   37    H    HIS   6           H        HIS   6 -10.165 -18.299  -6.966
   38    HA   HIS   6           HA       HIS   6  -8.093 -20.381  -7.340
   39   1HB   HIS   6          1HB       HIS   6 -10.552 -20.864  -8.115
   40   2HB   HIS   6          2HB       HIS   6 -10.137 -19.795  -9.455
   41    HD1  HIS   6           HD1      HIS   6  -9.622 -21.315 -11.374
   42    HD2  HIS   6           HD2      HIS   6  -7.848 -22.636  -7.841
   43    HE1  HIS   6           HE1      HIS   6  -8.186 -23.306 -11.996
   44    H    ARG   7           H        ARG   7  -6.898 -20.149  -9.409
   45    HA   ARG   7           HA       ARG   7  -5.532 -18.929 -10.799
   46   1HB   ARG   7          1HB       ARG   7  -7.948 -18.187 -11.545
   47   2HB   ARG   7          2HB       ARG   7  -7.482 -16.657 -10.802
   48   1HG   ARG   7          1HG       ARG   7  -6.704 -16.333 -12.967
   49   2HG   ARG   7          2HG       ARG   7  -5.267 -17.011 -12.202
   50   1HD   ARG   7          1HD       ARG   7  -5.632 -18.179 -14.291
   51   2HD   ARG   7          2HD       ARG   7  -5.998 -19.280 -12.967
   52    HE   ARG   7           HE       ARG   7  -8.375 -17.963 -13.740
   53   1HH1  ARG   7          1HH1      ARG   7  -6.091 -20.326 -14.945
   54   2HH1  ARG   7          2HH1      ARG   7  -7.271 -21.135 -15.919
   55   1HH2  ARG   7          1HH2      ARG   7  -9.880 -19.046 -15.023
   56   2HH2  ARG   7          2HH2      ARG   7  -9.397 -20.418 -15.965
   57    HA   PRO   8           HA       PRO   8  -4.081 -16.238  -7.370
   58   1HB   PRO   8          1HB       PRO   8  -1.571 -17.306  -7.204
   59   2HB   PRO   8          2HB       PRO   8  -2.977 -17.966  -6.356
   60   1HG   PRO   8          1HG       PRO   8  -1.546 -19.022  -8.719
   61   2HG   PRO   8          2HG       PRO   8  -2.523 -19.877  -7.516
   62   1HD   PRO   8          1HD       PRO   8  -3.332 -19.120 -10.141
   63   2HD   PRO   8          2HD       PRO   8  -4.367 -19.788  -8.857
   64    H    ASP   9           H        ASP   9  -4.168 -14.504  -8.955
   65    HA   ASP   9           HA       ASP   9  -1.998 -14.136 -10.823
   66   1HB   ASP   9          1HB       ASP   9  -4.427 -12.586 -10.035
   67   2HB   ASP   9          2HB       ASP   9  -3.113 -11.734 -10.848
   68    H    LYS  10           H        LYS  10  -3.151 -11.961  -8.265
   69    HA   LYS  10           HA       LYS  10  -0.735 -11.825  -6.819
   70   1HB   LYS  10          1HB       LYS  10  -0.042  -9.501  -7.544
   71   2HB   LYS  10          2HB       LYS  10   0.296 -10.780  -8.708
   72   1HG   LYS  10          1HG       LYS  10  -1.197  -9.974 -10.228
   73   2HG   LYS  10          2HG       LYS  10  -2.368  -9.529  -8.988
   74   1HD   LYS  10          1HD       LYS  10  -0.975  -7.561  -8.399
   75   2HD   LYS  10          2HD       LYS  10   0.152  -7.993  -9.685
   76   1HE   LYS  10          1HE       LYS  10  -1.772  -7.852 -11.311
   77   2HE   LYS  10          2HE       LYS  10  -2.756  -7.205  -9.998
   78   1HZ   LYS  10          1HZ       LYS  10  -0.167  -6.015 -10.815
   79   2HZ   LYS  10          2HZ       LYS  10  -1.659  -5.513 -11.457
   80   3HZ   LYS  10          3HZ       LYS  10  -1.349  -5.340  -9.798
   81    H    CYS  11           H        CYS  11  -2.259 -11.871  -5.151
   82    HA   CYS  11           HA       CYS  11  -3.749  -9.338  -4.752
   83   1HB   CYS  11          1HB       CYS  11  -4.429 -12.036  -3.558
   84   2HB   CYS  11          2HB       CYS  11  -5.385 -10.559  -3.466
   85    H    CYS  12           H        CYS  12  -0.937 -10.075  -4.012
   86    HA   CYS  12           HA       CYS  12   0.495  -9.767  -2.245
   87   1HB   CYS  12          1HB       CYS  12  -1.182  -7.755  -2.002
   88   2HB   CYS  12          2HB       CYS  12  -1.729  -8.646  -0.582
   89    H    LEU  13           H        LEU  13   1.010 -10.507  -0.076
   90    HA   LEU  13           HA       LEU  13  -0.647 -12.832   0.694
   91   1HB   LEU  13          1HB       LEU  13   2.298 -12.288   0.892
   92   2HB   LEU  13          2HB       LEU  13   1.533 -13.501   1.895
   93    HG   LEU  13           HG       LEU  13   0.658 -14.454  -0.379
   94   1HD1  LEU  13          1HD1      LEU  13   1.787 -12.253  -1.427
   95   2HD1  LEU  13          2HD1      LEU  13   3.186 -13.326  -1.486
   96   3HD1  LEU  13          3HD1      LEU  13   1.696 -13.773  -2.317
   97   1HD2  LEU  13          1HD2      LEU  13   3.524 -14.594   0.599
   98   2HD2  LEU  13          2HD2      LEU  13   2.200 -15.691   0.994
   99   3HD2  LEU  13          3HD2      LEU  13   2.874 -15.674  -0.636
  100    H    GLY  14           H        GLY  14   0.995  -9.953   1.840
  101   1HA   GLY  14          1HA       GLY  14   1.181  -9.950   4.462
  102   2HA   GLY  14          2HA       GLY  14  -0.569 -10.087   4.323
  103    H    TYR  15           H        TYR  15   0.487  -7.941   5.629
  104    HA   TYR  15           HA       TYR  15   0.448  -5.697   3.720
  105   1HB   TYR  15          1HB       TYR  15  -1.327  -5.912   6.166
  106   2HB   TYR  15          2HB       TYR  15  -1.158  -4.480   5.150
  107    HD1  TYR  15           HD1      TYR  15  -2.178  -8.067   5.111
  108    HD2  TYR  15           HD2      TYR  15  -2.365  -4.265   3.120
  109    HE1  TYR  15           HE1      TYR  15  -3.882  -8.967   3.549
  110    HE2  TYR  15           HE2      TYR  15  -4.067  -5.165   1.559
  111    HH   TYR  15           HH       TYR  15  -4.617  -7.742   0.727
  112    H    GLN  16           H        GLN  16   0.968  -3.599   4.879
  113    HA   GLN  16           HA       GLN  16   3.424  -3.905   6.278
  114   1HB   GLN  16          1HB       GLN  16   2.455  -1.874   4.860
  115   2HB   GLN  16          2HB       GLN  16   1.921  -1.333   6.446
  116   1HG   GLN  16          1HG       GLN  16   4.131  -0.413   6.000
  117   2HG   GLN  16          2HG       GLN  16   4.257  -1.613   7.283
  118   2HE2  GLN  16          2HE2      GLN  16   5.446  -3.558   6.848
  119   1HE2  GLN  16          1HE2      GLN  16   6.309  -3.797   5.406
  120    H    LYS  17           H        LYS  17   3.687  -4.438   8.326
  121    HA   LYS  17           HA       LYS  17   1.512  -4.298  10.219
  122   1HB   LYS  17          1HB       LYS  17   3.357  -6.092  10.116
  123   2HB   LYS  17          2HB       LYS  17   4.381  -4.897  10.913
  124   1HG   LYS  17          1HG       LYS  17   2.963  -4.801  12.822
  125   2HG   LYS  17          2HG       LYS  17   1.659  -5.647  11.989
  126   1HD   LYS  17          1HD       LYS  17   3.292  -7.618  11.776
  127   2HD   LYS  17          2HD       LYS  17   4.286  -6.774  12.964
  128   1HE   LYS  17          1HE       LYS  17   1.368  -7.472  13.389
  129   2HE   LYS  17          2HE       LYS  17   2.714  -8.446  13.984
  130   1HZ   LYS  17          1HZ       LYS  17   3.501  -6.252  15.018
  131   2HZ   LYS  17          2HZ       LYS  17   1.906  -5.725  14.782
  132   3HZ   LYS  17          3HZ       LYS  17   2.216  -7.078  15.762
  133    H    ARG  18           H        ARG  18   3.904  -2.103   9.172
  134    HA   ARG  18           HA       ARG  18   3.582  -0.528  11.656
  135   1HB   ARG  18          1HB       ARG  18   5.932  -0.562   9.744
  136   2HB   ARG  18          2HB       ARG  18   5.767   0.506  11.139
  137   1HG   ARG  18          1HG       ARG  18   6.950  -1.180  12.157
  138   2HG   ARG  18          2HG       ARG  18   5.331  -1.849  12.363
  139   1HD   ARG  18          1HD       ARG  18   5.583  -3.195  10.352
  140   2HD   ARG  18          2HD       ARG  18   7.142  -2.454  10.011
  141    HE   ARG  18           HE       ARG  18   7.254  -3.610  12.577
  142   1HH1  ARG  18          1HH1      ARG  18   6.978  -4.573   9.223
  143   2HH1  ARG  18          2HH1      ARG  18   7.754  -6.098   9.480
  144   1HH2  ARG  18          1HH2      ARG  18   8.260  -5.607  12.867
  145   2HH2  ARG  18          2HH2      ARG  18   8.474  -6.680  11.525
  146    HA   PRO  19           HA       PRO  19   1.877   2.567   8.994
  147   1HB   PRO  19          1HB       PRO  19   2.179   4.764  10.592
  148   2HB   PRO  19          2HB       PRO  19   0.981   3.494  10.879
  149   1HG   PRO  19          1HG       PRO  19   3.470   4.079  12.344
  150   2HG   PRO  19          2HG       PRO  19   2.021   3.218  12.882
  151   1HD   PRO  19          1HD       PRO  19   4.501   2.064  12.045
  152   2HD   PRO  19          2HD       PRO  19   2.995   1.206  12.448
  153    H    LEU  20           H        LEU  20   2.505   3.894   7.360
  154    HA   LEU  20           HA       LEU  20   5.310   4.831   7.367
  155   1HB   LEU  20          1HB       LEU  20   3.726   4.808   4.858
  156   2HB   LEU  20          2HB       LEU  20   5.429   4.500   5.107
  157    HG   LEU  20           HG       LEU  20   3.130   2.587   5.557
  158   1HD1  LEU  20          1HD1      LEU  20   5.488   2.694   3.659
  159   2HD1  LEU  20          2HD1      LEU  20   4.496   1.254   3.885
  160   3HD1  LEU  20          3HD1      LEU  20   3.774   2.732   3.244
  161   1HD2  LEU  20          1HD2      LEU  20   5.886   2.634   6.643
  162   2HD2  LEU  20          2HD2      LEU  20   4.461   1.777   7.227
  163   3HD2  LEU  20          3HD2      LEU  20   5.406   1.111   5.897
  164    HA   PRO  21           HA       PRO  21   3.740   8.972   7.245
  165   1HB   PRO  21          1HB       PRO  21   5.951  10.274   6.292
  166   2HB   PRO  21          2HB       PRO  21   5.821   9.631   7.939
  167   1HG   PRO  21          1HG       PRO  21   7.395   8.615   5.653
  168   2HG   PRO  21          2HG       PRO  21   7.656   8.395   7.388
  169   1HD   PRO  21          1HD       PRO  21   6.511   6.508   5.581
  170   2HD   PRO  21          2HD       PRO  21   6.603   6.371   7.352
  171    H    GLN  22           H        GLN  22   2.565  10.200   5.859
  172    HA   GLN  22           HA       GLN  22   2.408   9.512   3.084
  173   1HB   GLN  22          1HB       GLN  22   0.536  10.418   4.587
  174   2HB   GLN  22          2HB       GLN  22   1.259  12.006   4.329
  175   1HG   GLN  22          1HG       GLN  22   0.834  10.363   1.892
  176   2HG   GLN  22          2HG       GLN  22  -0.623  10.954   2.689
  177   2HE2  GLN  22          2HE2      GLN  22   1.277  11.797   0.208
  178   1HE2  GLN  22          1HE2      GLN  22   1.254  13.488   0.342
  179    H    VAL  23           H        VAL  23   4.539  11.518   4.800
  180    HA   VAL  23           HA       VAL  23   4.888  13.718   3.147
  181    HB   VAL  23           HB       VAL  23   5.922  13.474   5.371
  182   1HG1  VAL  23          1HG1      VAL  23   6.651  10.991   4.588
  183   2HG1  VAL  23          2HG1      VAL  23   8.162  11.849   4.295
  184   3HG1  VAL  23          3HG1      VAL  23   7.443  11.854   5.906
  185   1HG2  VAL  23          1HG2      VAL  23   6.912  14.860   3.319
  186   2HG2  VAL  23          2HG2      VAL  23   7.750  14.784   4.869
  187   3HG2  VAL  23          3HG2      VAL  23   8.262  13.746   3.538
  188    H    LEU  24           H        LEU  24   6.074  10.443   2.782
  189    HA   LEU  24           HA       LEU  24   7.500  11.244   0.328
  190   1HB   LEU  24          1HB       LEU  24   8.968   9.548   0.663
  191   2HB   LEU  24          2HB       LEU  24   8.492   9.794   2.324
  192    HG   LEU  24           HG       LEU  24   7.333   7.659   0.507
  193   1HD1  LEU  24          1HD1      LEU  24   9.797   7.450   1.081
  194   2HD1  LEU  24          2HD1      LEU  24   9.301   7.303   2.767
  195   3HD1  LEU  24          3HD1      LEU  24   8.777   6.102   1.586
  196   1HD2  LEU  24          1HD2      LEU  24   6.713   8.641   3.212
  197   2HD2  LEU  24          2HD2      LEU  24   5.743   7.640   2.133
  198   3HD2  LEU  24          3HD2      LEU  24   6.978   6.901   3.146
  199    H    LEU  25           H        LEU  25   4.887   9.336   1.582
  200    HA   LEU  25           HA       LEU  25   4.442   7.603  -0.543
  201   1HB   LEU  25          1HB       LEU  25   3.228   7.962   1.806
  202   2HB   LEU  25          2HB       LEU  25   2.059   8.746   0.770
  203    HG   LEU  25           HG       LEU  25   1.678   6.711  -0.461
  204   1HD1  LEU  25          1HD1      LEU  25   4.089   5.738   1.073
  205   2HD1  LEU  25          2HD1      LEU  25   2.925   4.602   0.391
  206   3HD1  LEU  25          3HD1      LEU  25   3.806   5.703  -0.668
  207   1HD2  LEU  25          1HD2      LEU  25   1.616   6.660   2.519
  208   2HD2  LEU  25          2HD2      LEU  25   0.289   6.531   1.365
  209   3HD2  LEU  25          3HD2      LEU  25   1.314   5.134   1.689
  210    H    SER  26           H        SER  26   3.303   7.642  -2.407
  211    HA   SER  26           HA       SER  26   2.701  10.332  -3.462
  212   1HB   SER  26          1HB       SER  26   4.255   8.444  -4.575
  213   2HB   SER  26          2HB       SER  26   2.705   7.974  -5.267
  214    HG   SER  26           HG       SER  26   2.558   9.885  -6.267
  215    H    SER  27           H        SER  27   1.414   7.050  -4.064
  216    HA   SER  27           HA       SER  27  -1.295   7.936  -3.451
  217   1HB   SER  27          1HB       SER  27  -0.294   7.865  -6.173
  218   2HB   SER  27          2HB       SER  27  -1.635   6.745  -5.969
  219    HG   SER  27           HG       SER  27  -1.762   9.339  -6.242
  220    H    TRP  28           H        TRP  28  -2.747   5.933  -4.543
  221    HA   TRP  28           HA       TRP  28  -1.480   3.378  -3.852
  222   1HB   TRP  28          1HB       TRP  28  -3.485   2.785  -2.429
  223   2HB   TRP  28          2HB       TRP  28  -2.403   3.980  -1.720
  224    HD1  TRP  28           HD1      TRP  28  -3.211   6.533  -1.719
  225    HE1  TRP  28           HE1      TRP  28  -5.567   7.574  -1.813
  226    HE3  TRP  28           HE3      TRP  28  -5.896   2.507  -3.372
  227    HZ2  TRP  28           HZ2      TRP  28  -8.232   6.798  -2.509
  228    HZ3  TRP  28           HZ3      TRP  28  -8.334   2.691  -3.742
  229    HH2  TRP  28           HH2      TRP  28  -9.507   4.829  -3.310
  230    H    TYR  29           H        TYR  29  -2.275   1.681  -5.006
  231    HA   TYR  29           HA       TYR  29  -4.596   2.258  -6.740
  232   1HB   TYR  29          1HB       TYR  29  -3.638   0.935  -8.485
  233   2HB   TYR  29          2HB       TYR  29  -2.385   2.039  -7.934
  234    HD1  TYR  29           HD1      TYR  29  -0.579   1.168  -6.350
  235    HD2  TYR  29           HD2      TYR  29  -3.368  -1.416  -8.355
  236    HE1  TYR  29           HE1      TYR  29   0.910  -0.766  -5.935
  237    HE2  TYR  29           HE2      TYR  29  -1.876  -3.349  -7.935
  238    HH   TYR  29           HH       TYR  29   0.998  -3.380  -7.448
  239    HA   PRO  30           HA       PRO  30  -6.290  -1.259  -4.566
  240   1HB   PRO  30          1HB       PRO  30  -8.716  -1.326  -5.818
  241   2HB   PRO  30          2HB       PRO  30  -8.285  -0.146  -4.570
  242   1HG   PRO  30          1HG       PRO  30  -8.583   0.234  -7.484
  243   2HG   PRO  30          2HG       PRO  30  -8.720   1.414  -6.173
  244   1HD   PRO  30          1HD       PRO  30  -6.488   1.034  -7.911
  245   2HD   PRO  30          2HD       PRO  30  -6.566   2.092  -6.483
  246    H    THR  31           H        THR  31  -6.678  -3.455  -4.869
  247    HA   THR  31           HA       THR  31  -6.221  -4.474  -7.610
  248    HB   THR  31           HB       THR  31  -4.401  -5.086  -6.109
  249    HG1  THR  31           HG1      THR  31  -4.567  -7.319  -6.345
  250   1HG2  THR  31          1HG2      THR  31  -6.669  -5.697  -4.297
  251   2HG2  THR  31          2HG2      THR  31  -5.295  -6.800  -4.226
  252   3HG2  THR  31          3HG2      THR  31  -5.061  -5.079  -3.920
  253    H    SER  32           H        SER  32  -7.032  -6.945  -7.583
  254    HA   SER  32           HA       SER  32  -9.843  -6.846  -7.627
  255   1HB   SER  32          1HB       SER  32  -8.537  -9.489  -7.236
  256   2HB   SER  32          2HB       SER  32  -9.759  -8.999  -8.405
  257    HG   SER  32           HG       SER  32  -8.033  -9.044  -9.657
  258    H    GLN  33           H        GLN  33 -11.373  -7.191  -6.134
  259    HA   GLN  33           HA       GLN  33 -10.500  -7.791  -3.394
  260   1HB   GLN  33          1HB       GLN  33 -12.077  -5.817  -4.144
  261   2HB   GLN  33          2HB       GLN  33 -13.319  -7.068  -4.087
  262   1HG   GLN  33          1HG       GLN  33 -12.920  -7.506  -1.781
  263   2HG   GLN  33          2HG       GLN  33 -11.401  -6.611  -1.797
  264   2HE2  GLN  33          2HE2      GLN  33 -14.924  -6.260  -1.752
  265   1HE2  GLN  33          1HE2      GLN  33 -14.929  -4.602  -1.390
  266    H    LEU  34           H        LEU  34 -10.848  -9.837  -5.603
  267    HA   LEU  34           HA       LEU  34 -12.873 -11.525  -4.263
  268   1HB   LEU  34          1HB       LEU  34 -11.848 -11.908  -7.066
  269   2HB   LEU  34          2HB       LEU  34 -13.224 -12.682  -6.314
  270    HG   LEU  34           HG       LEU  34 -14.107 -11.099  -7.842
  271   1HD1  LEU  34          1HD1      LEU  34 -14.118  -9.992  -5.024
  272   2HD1  LEU  34          2HD1      LEU  34 -15.130  -9.345  -6.316
  273   3HD1  LEU  34          3HD1      LEU  34 -15.337 -11.014  -5.785
  274   1HD2  LEU  34          1HD2      LEU  34 -11.748  -9.808  -7.667
  275   2HD2  LEU  34          2HD2      LEU  34 -13.197  -9.046  -8.323
  276   3HD2  LEU  34          3HD2      LEU  34 -12.724  -8.746  -6.650
  277    H    CYS  35           H        CYS  35 -10.138 -11.165  -3.413
  278    HA   CYS  35           HA       CYS  35  -8.974 -13.806  -4.063
  279   1HB   CYS  35          1HB       CYS  35  -7.566 -11.432  -2.817
  280   2HB   CYS  35          2HB       CYS  35  -6.826 -12.919  -3.406
  281    H    SER  36           H        SER  36  -7.536 -14.585  -2.135
  282    HA   SER  36           HA       SER  36  -9.262 -15.260  -0.007
  283   1HB   SER  36          1HB       SER  36  -6.246 -15.337   0.114
  284   2HB   SER  36          2HB       SER  36  -7.387 -16.350   0.993
  285    HG   SER  36           HG       SER  36  -6.542 -16.457  -1.657
  286    H    LYS  37           H        LYS  37  -6.800 -12.774  -0.367
  287    HA   LYS  37           HA       LYS  37  -7.923 -11.327   1.899
  288   1HB   LYS  37          1HB       LYS  37  -5.681 -11.003   2.946
  289   2HB   LYS  37          2HB       LYS  37  -6.247 -12.672   3.030
  290   1HG   LYS  37          1HG       LYS  37  -4.938 -12.782   0.675
  291   2HG   LYS  37          2HG       LYS  37  -4.002 -11.509   1.460
  292   1HD   LYS  37          1HD       LYS  37  -3.258 -12.909   3.156
  293   2HD   LYS  37          2HD       LYS  37  -4.646 -13.989   3.015
  294   1HE   LYS  37          1HE       LYS  37  -3.573 -14.338   0.564
  295   2HE   LYS  37          2HE       LYS  37  -2.107 -13.955   1.468
  296   1HZ   LYS  37          1HZ       LYS  37  -4.086 -16.022   2.260
  297   2HZ   LYS  37          2HZ       LYS  37  -2.630 -16.344   1.444
  298   3HZ   LYS  37          3HZ       LYS  37  -2.597 -15.702   3.014
  299    HA   PRO  38           HA       PRO  38  -6.369  -8.664  -1.550
  300   1HB   PRO  38          1HB       PRO  38  -8.743  -7.441  -2.121
  301   2HB   PRO  38          2HB       PRO  38  -8.224  -8.970  -2.847
  302   1HG   PRO  38          1HG       PRO  38 -10.292  -8.477  -0.793
  303   2HG   PRO  38          2HG       PRO  38 -10.135  -9.817  -1.936
  304   1HD   PRO  38          1HD       PRO  38  -9.446  -9.842   0.831
  305   2HD   PRO  38          2HD       PRO  38  -9.109 -11.116  -0.366
  306    H    GLY  39           H        GLY  39  -6.630  -6.211  -1.810
  307   1HA   GLY  39          1HA       GLY  39  -5.964  -4.907   0.600
  308   2HA   GLY  39          2HA       GLY  39  -7.646  -4.550   0.214
  309    H    VAL  40           H        VAL  40  -4.916  -3.051   0.130
  310    HA   VAL  40           HA       VAL  40  -4.937  -2.189  -2.678
  311    HB   VAL  40           HB       VAL  40  -5.170  -0.207  -0.401
  312   1HG1  VAL  40          1HG1      VAL  40  -4.071   0.183  -2.833
  313   2HG1  VAL  40          2HG1      VAL  40  -5.764   0.471  -3.226
  314   3HG1  VAL  40          3HG1      VAL  40  -4.973   1.430  -1.976
  315   1HG2  VAL  40          1HG2      VAL  40  -7.207  -1.531  -2.146
  316   2HG2  VAL  40          2HG2      VAL  40  -7.330  -1.041  -0.456
  317   3HG2  VAL  40          3HG2      VAL  40  -7.431   0.170  -1.735
  318    H    ILE  41           H        ILE  41  -2.992  -1.548  -3.415
  319    HA   ILE  41           HA       ILE  41  -0.758  -1.631  -1.496
  320    HB   ILE  41           HB       ILE  41  -0.894  -2.142  -4.474
  321   1HG1  ILE  41          1HG1      ILE  41   0.275  -4.282  -3.557
  322   2HG1  ILE  41          2HG1      ILE  41  -0.337  -3.746  -1.994
  323   1HG2  ILE  41          1HG2      ILE  41   1.160  -0.830  -3.974
  324   2HG2  ILE  41          2HG2      ILE  41   1.589  -2.001  -2.726
  325   3HG2  ILE  41          3HG2      ILE  41   1.544  -2.494  -4.420
  326   1HD1  ILE  41          1HD1      ILE  41  -2.175  -3.899  -4.373
  327   2HD1  ILE  41          2HD1      ILE  41  -1.823  -5.341  -3.421
  328   3HD1  ILE  41          3HD1      ILE  41  -2.581  -3.944  -2.658
  329    H    PHE  42           H        PHE  42   0.532   0.090  -1.213
  330    HA   PHE  42           HA       PHE  42  -0.298   2.614  -2.429
  331   1HB   PHE  42          1HB       PHE  42   1.378   1.835  -0.074
  332   2HB   PHE  42          2HB       PHE  42   1.620   3.421  -0.805
  333    HD1  PHE  42           HD1      PHE  42  -0.870   1.194   0.808
  334    HD2  PHE  42           HD2      PHE  42  -0.012   5.164  -0.589
  335    HE1  PHE  42           HE1      PHE  42  -2.897   2.041   1.961
  336    HE2  PHE  42           HE2      PHE  42  -2.037   6.008   0.566
  337    HZ   PHE  42           HZ       PHE  42  -3.479   4.446   1.841
  338    H    LEU  43           H        LEU  43   1.492   4.152  -3.016
  339    HA   LEU  43           HA       LEU  43   3.848   2.844  -4.185
  340   1HB   LEU  43          1HB       LEU  43   3.448   4.335  -6.241
  341   2HB   LEU  43          2HB       LEU  43   2.556   2.836  -6.112
  342    HG   LEU  43           HG       LEU  43   1.287   5.346  -5.095
  343   1HD1  LEU  43          1HD1      LEU  43   2.301   5.785  -7.393
  344   2HD1  LEU  43          2HD1      LEU  43   1.226   4.529  -8.008
  345   3HD1  LEU  43          3HD1      LEU  43   0.552   5.987  -7.282
  346   1HD2  LEU  43          1HD2      LEU  43   0.293   3.016  -4.889
  347   2HD2  LEU  43          2HD2      LEU  43  -0.733   4.189  -5.715
  348   3HD2  LEU  43          3HD2      LEU  43   0.170   2.995  -6.648
  349    H    THR  44           H        THR  44   5.221   3.892  -2.787
  350    HA   THR  44           HA       THR  44   4.964   6.600  -2.038
  351    HB   THR  44           HB       THR  44   7.234   6.407  -1.185
  352    HG1  THR  44           HG1      THR  44   7.244   4.052  -2.759
  353   1HG2  THR  44          1HG2      THR  44   5.241   4.241  -0.788
  354   2HG2  THR  44          2HG2      THR  44   6.860   3.940  -0.157
  355   3HG2  THR  44          3HG2      THR  44   5.951   5.349   0.386
  356    H    LYS  45           H        LYS  45   6.503   8.330  -2.551
  357    HA   LYS  45           HA       LYS  45   6.489   8.994  -5.263
  358   1HB   LYS  45          1HB       LYS  45   8.065  10.036  -2.921
  359   2HB   LYS  45          2HB       LYS  45   8.319  10.675  -4.546
  360   1HG   LYS  45          1HG       LYS  45   6.248  11.671  -4.630
  361   2HG   LYS  45          2HG       LYS  45   5.497  10.433  -3.624
  362   1HD   LYS  45          1HD       LYS  45   5.549  12.084  -2.040
  363   2HD   LYS  45          2HD       LYS  45   7.206  11.518  -1.820
  364   1HE   LYS  45          1HE       LYS  45   7.625  13.228  -3.851
  365   2HE   LYS  45          2HE       LYS  45   6.209  13.999  -3.136
  366   1HZ   LYS  45          1HZ       LYS  45   8.650  13.228  -1.632
  367   2HZ   LYS  45          2HZ       LYS  45   8.319  14.795  -2.191
  368   3HZ   LYS  45          3HZ       LYS  45   7.312  14.080  -1.023
  369    H    ARG  46           H        ARG  46   9.303   8.011  -3.292
  370    HA   ARG  46           HA       ARG  46  10.542   6.966  -5.768
  371   1HB   ARG  46          1HB       ARG  46  11.538   9.149  -5.000
  372   2HB   ARG  46          2HB       ARG  46  12.051   8.313  -3.533
  373   1HG   ARG  46          1HG       ARG  46  13.524   6.897  -4.703
  374   2HG   ARG  46          2HG       ARG  46  12.733   7.204  -6.250
  375   1HD   ARG  46          1HD       ARG  46  13.690   9.339  -6.459
  376   2HD   ARG  46          2HD       ARG  46  14.049   9.448  -4.739
  377    HE   ARG  46           HE       ARG  46  15.477   7.306  -6.027
  378   1HH1  ARG  46          1HH1      ARG  46  15.468  10.754  -5.422
  379   2HH1  ARG  46          2HH1      ARG  46  17.182  10.904  -5.600
  380   1HH2  ARG  46          1HH2      ARG  46  17.708   7.547  -6.251
  381   2HH2  ARG  46          2HH2      ARG  46  18.441   9.105  -6.066
  382    H    GLY  47           H        GLY  47   9.351   6.101  -2.797
  383   1HA   GLY  47          1HA       GLY  47   9.844   4.437  -1.264
  384   2HA   GLY  47          2HA       GLY  47  11.460   4.328  -1.951
  385    H    ARG  48           H        ARG  48   8.478   2.828  -1.661
  386    HA   ARG  48           HA       ARG  48   8.631   1.295  -4.136
  387   1HB   ARG  48          1HB       ARG  48   9.593   0.273  -1.526
  388   2HB   ARG  48          2HB       ARG  48   8.536  -0.813  -2.429
  389   1HG   ARG  48          1HG       ARG  48  10.089  -0.139  -4.457
  390   2HG   ARG  48          2HG       ARG  48  11.235   0.261  -3.177
  391   1HD   ARG  48          1HD       ARG  48  10.547  -2.108  -2.242
  392   2HD   ARG  48          2HD       ARG  48  10.067  -2.401  -3.910
  393    HE   ARG  48           HE       ARG  48  12.702  -1.305  -3.791
  394   1HH1  ARG  48          1HH1      ARG  48  10.893  -4.256  -3.265
  395   2HH1  ARG  48          2HH1      ARG  48  12.248  -5.279  -3.593
  396   1HH2  ARG  48          1HH2      ARG  48  14.443  -2.676  -4.211
  397   2HH2  ARG  48          2HH2      ARG  48  14.242  -4.394  -4.124
  398    H    GLN  49           H        GLN  49   7.007  -0.750  -3.671
  399    HA   GLN  49           HA       GLN  49   4.460   0.548  -3.087
  400   1HB   GLN  49          1HB       GLN  49   5.310  -1.966  -4.456
  401   2HB   GLN  49          2HB       GLN  49   3.694  -1.911  -3.751
  402   1HG   GLN  49          1HG       GLN  49   3.173  -0.998  -5.790
  403   2HG   GLN  49          2HG       GLN  49   3.705   0.483  -4.991
  404   2HE2  GLN  49          2HE2      GLN  49   4.864   1.608  -6.577
  405   1HE2  GLN  49          1HE2      GLN  49   6.114   0.936  -7.509
  406    H    VAL  50           H        VAL  50   2.859  -0.520  -1.703
  407    HA   VAL  50           HA       VAL  50   3.851  -2.440   0.255
  408    HB   VAL  50           HB       VAL  50   2.960   0.328   1.106
  409   1HG1  VAL  50          1HG1      VAL  50   3.662  -2.186   2.634
  410   2HG1  VAL  50          2HG1      VAL  50   3.740  -0.588   3.378
  411   3HG1  VAL  50          3HG1      VAL  50   2.204  -1.201   2.766
  412   1HG2  VAL  50          1HG2      VAL  50   5.648  -1.064   1.112
  413   2HG2  VAL  50          2HG2      VAL  50   5.222   0.447   0.306
  414   3HG2  VAL  50          3HG2      VAL  50   5.310   0.381   2.067
  415    H    CYS  51           H        CYS  51   2.266  -3.751   0.887
  416    HA   CYS  51           HA       CYS  51  -0.440  -3.327  -0.044
  417   1HB   CYS  51          1HB       CYS  51   0.829  -5.483   1.664
  418   2HB   CYS  51          2HB       CYS  51  -0.873  -5.479   1.206
  419    H    ALA  52           H        ALA  52  -2.018  -2.315   1.069
  420    HA   ALA  52           HA       ALA  52  -1.699  -2.087   4.003
  421   1HB   ALA  52          1HB       ALA  52  -1.251   0.027   2.417
  422   2HB   ALA  52          2HB       ALA  52  -3.004   0.155   2.559
  423   3HB   ALA  52          3HB       ALA  52  -1.998   0.177   4.007
  424    H    ASP  53           H        ASP  53  -3.419  -2.602   5.156
  425    HA   ASP  53           HA       ASP  53  -5.930  -3.196   3.743
  426   1HB   ASP  53          1HB       ASP  53  -4.649  -4.157   6.257
  427   2HB   ASP  53          2HB       ASP  53  -6.411  -4.092   6.222
  428    H    LYS  54           H        LYS  54  -7.557  -1.797   3.852
  429    HA   LYS  54           HA       LYS  54  -7.458   0.663   5.153
  430   1HB   LYS  54          1HB       LYS  54  -9.917   0.774   4.764
  431   2HB   LYS  54          2HB       LYS  54  -9.016   0.271   3.333
  432   1HG   LYS  54          1HG       LYS  54  -9.462  -2.154   4.343
  433   2HG   LYS  54          2HG       LYS  54 -10.830  -1.329   5.091
  434   1HD   LYS  54          1HD       LYS  54 -10.204  -1.220   2.128
  435   2HD   LYS  54          2HD       LYS  54 -11.367  -2.333   2.849
  436   1HE   LYS  54          1HE       LYS  54 -12.894  -0.672   3.291
  437   2HE   LYS  54          2HE       LYS  54 -11.648   0.549   3.549
  438   1HZ   LYS  54          1HZ       LYS  54 -11.247   0.593   1.168
  439   2HZ   LYS  54          2HZ       LYS  54 -12.448  -0.583   0.922
  440   3HZ   LYS  54          3HZ       LYS  54 -12.869   0.955   1.508
  441    H    SER  55           H        SER  55  -8.319  -2.454   6.426
  442    HA   SER  55           HA       SER  55  -9.962  -1.761   8.578
  443   1HB   SER  55          1HB       SER  55  -8.867  -4.092   7.694
  444   2HB   SER  55          2HB       SER  55  -7.930  -3.817   9.156
  445    HG   SER  55           HG       SER  55 -10.115  -4.939   9.234
  446    H    LYS  56           H        LYS  56  -6.511  -1.409   8.136
  447    HA   LYS  56           HA       LYS  56  -5.771  -0.976  10.835
  448   1HB   LYS  56          1HB       LYS  56  -4.508   0.207   8.347
  449   2HB   LYS  56          2HB       LYS  56  -3.752   0.051   9.933
  450   1HG   LYS  56          1HG       LYS  56  -4.872  -2.433   8.733
  451   2HG   LYS  56          2HG       LYS  56  -3.408  -1.782   7.997
  452   1HD   LYS  56          1HD       LYS  56  -2.557  -1.596  10.464
  453   2HD   LYS  56          2HD       LYS  56  -3.828  -2.768  10.806
  454   1HE   LYS  56          1HE       LYS  56  -2.890  -4.358   9.263
  455   2HE   LYS  56          2HE       LYS  56  -1.752  -3.165   8.639
  456   1HZ   LYS  56          1HZ       LYS  56  -1.805  -4.142  11.442
  457   2HZ   LYS  56          2HZ       LYS  56  -0.744  -4.709  10.243
  458   3HZ   LYS  56          3HZ       LYS  56  -0.658  -3.095  10.756
  459    H    ASP  57           H        ASP  57  -4.594   1.419  11.102
  460    HA   ASP  57           HA       ASP  57  -6.867   3.302  10.926
  461   1HB   ASP  57          1HB       ASP  57  -4.537   3.340  12.858
  462   2HB   ASP  57          2HB       ASP  57  -5.921   4.432  12.867
  463    H    TRP  58           H        TRP  58  -3.328   3.074  10.666
  464    HA   TRP  58           HA       TRP  58  -3.039   5.763   9.728
  465   1HB   TRP  58          1HB       TRP  58  -0.730   5.106   9.150
  466   2HB   TRP  58          2HB       TRP  58  -1.154   4.667  10.800
  467    HD1  TRP  58           HD1      TRP  58  -1.435   2.097  11.370
  468    HE1  TRP  58           HE1      TRP  58  -0.622  -0.031  10.166
  469    HE3  TRP  58           HE3      TRP  58  -0.332   4.044   6.787
  470    HZ2  TRP  58           HZ2      TRP  58   0.368  -0.810   7.580
  471    HZ3  TRP  58           HZ3      TRP  58   0.546   2.599   4.977
  472    HH2  TRP  58           HH2      TRP  58   0.893   0.178   5.368
  473    H    VAL  59           H        VAL  59  -3.705   2.698   8.218
  474    HA   VAL  59           HA       VAL  59  -3.002   3.492   5.556
  475    HB   VAL  59           HB       VAL  59  -4.967   1.351   6.404
  476   1HG1  VAL  59          1HG1      VAL  59  -3.312   1.768   3.895
  477   2HG1  VAL  59          2HG1      VAL  59  -4.307   0.350   4.224
  478   3HG1  VAL  59          3HG1      VAL  59  -5.064   1.930   4.023
  479   1HG2  VAL  59          1HG2      VAL  59  -2.742   1.101   7.495
  480   2HG2  VAL  59          2HG2      VAL  59  -3.058  -0.181   6.324
  481   3HG2  VAL  59          3HG2      VAL  59  -1.982   1.151   5.904
  482    H    LYS  60           H        LYS  60  -5.914   3.565   7.527
  483    HA   LYS  60           HA       LYS  60  -7.762   4.263   5.522
  484   1HB   LYS  60          1HB       LYS  60  -8.210   3.588   7.969
  485   2HB   LYS  60          2HB       LYS  60  -7.924   5.285   8.352
  486   1HG   LYS  60          1HG       LYS  60  -9.792   6.012   7.145
  487   2HG   LYS  60          2HG       LYS  60  -9.832   4.559   6.145
  488   1HD   LYS  60          1HD       LYS  60 -10.277   3.350   8.446
  489   2HD   LYS  60          2HD       LYS  60 -10.814   4.951   8.952
  490   1HE   LYS  60          1HE       LYS  60 -12.545   5.011   7.358
  491   2HE   LYS  60          2HE       LYS  60 -11.810   3.740   6.379
  492   1HZ   LYS  60          1HZ       LYS  60 -12.179   2.253   8.368
  493   2HZ   LYS  60          2HZ       LYS  60 -13.183   3.476   8.988
  494   3HZ   LYS  60          3HZ       LYS  60 -13.571   2.727   7.517
  495    H    LYS  61           H        LYS  61  -5.873   6.326   7.733
  496    HA   LYS  61           HA       LYS  61  -6.825   8.790   6.724
  497   1HB   LYS  61          1HB       LYS  61  -4.393   7.959   8.274
  498   2HB   LYS  61          2HB       LYS  61  -4.490   9.595   7.619
  499   1HG   LYS  61          1HG       LYS  61  -6.791   8.440   9.180
  500   2HG   LYS  61          2HG       LYS  61  -5.417   9.165  10.016
  501   1HD   LYS  61          1HD       LYS  61  -5.740  11.224   8.596
  502   2HD   LYS  61          2HD       LYS  61  -7.230  10.500   7.988
  503   1HE   LYS  61          1HE       LYS  61  -8.130  10.381  10.268
  504   2HE   LYS  61          2HE       LYS  61  -6.629  11.048  10.910
  505   1HZ   LYS  61          1HZ       LYS  61  -7.059  12.990   9.376
  506   2HZ   LYS  61          2HZ       LYS  61  -8.632  12.376   9.185
  507   3HZ   LYS  61          3HZ       LYS  61  -8.083  12.853  10.721
  508    H    LEU  62           H        LEU  62  -4.290   6.611   5.685
  509    HA   LEU  62           HA       LEU  62  -2.988   8.371   3.872
  510   1HB   LEU  62          1HB       LEU  62  -3.186   5.390   4.092
  511   2HB   LEU  62          2HB       LEU  62  -2.393   6.138   2.725
  512    HG   LEU  62           HG       LEU  62  -1.585   6.592   5.601
  513   1HD1  LEU  62          1HD1      LEU  62  -0.528   4.707   3.478
  514   2HD1  LEU  62          2HD1      LEU  62   0.317   5.074   4.981
  515   3HD1  LEU  62          3HD1      LEU  62  -1.247   4.259   5.024
  516   1HD2  LEU  62          1HD2      LEU  62  -0.602   7.475   2.908
  517   2HD2  LEU  62          2HD2      LEU  62  -0.690   8.385   4.416
  518   3HD2  LEU  62          3HD2      LEU  62   0.583   7.187   4.182
  519    H    MET  63           H        MET  63  -5.349   5.770   3.360
  520    HA   MET  63           HA       MET  63  -5.803   6.073   0.641
  521   1HB   MET  63          1HB       MET  63  -7.797   5.365   2.801
  522   2HB   MET  63          2HB       MET  63  -8.088   5.170   1.077
  523   1HG   MET  63          1HG       MET  63  -5.788   3.883   2.574
  524   2HG   MET  63          2HG       MET  63  -7.298   3.065   2.181
  525   1HE   MET  63          1HE       MET  63  -8.085   2.334   0.288
  526   2HE   MET  63          2HE       MET  63  -8.065   3.634  -0.902
  527   3HE   MET  63          3HE       MET  63  -7.270   2.104  -1.266
  528    H    GLN  64           H        GLN  64  -7.297   7.827   3.319
  529    HA   GLN  64           HA       GLN  64  -8.975   9.420   1.584
  530   1HB   GLN  64          1HB       GLN  64  -8.323   9.525   4.528
  531   2HB   GLN  64          2HB       GLN  64  -9.303  10.765   3.743
  532   1HG   GLN  64          1HG       GLN  64 -10.832   8.971   2.914
  533   2HG   GLN  64          2HG       GLN  64  -9.893   7.792   3.830
  534   2HE2  GLN  64          2HE2      GLN  64  -9.988   7.910   6.198
  535   1HE2  GLN  64          1HE2      GLN  64 -11.222   8.774   6.978
  536    H    GLN  65           H        GLN  65  -5.822   9.701   3.079
  537    HA   GLN  65           HA       GLN  65  -5.492  12.507   2.674
  538   1HB   GLN  65          1HB       GLN  65  -3.707  10.222   3.380
  539   2HB   GLN  65          2HB       GLN  65  -2.967  11.719   2.816
  540   1HG   GLN  65          1HG       GLN  65  -5.112  12.093   4.815
  541   2HG   GLN  65          2HG       GLN  65  -3.692  11.240   5.415
  542   2HE2  GLN  65          2HE2      GLN  65  -2.411  12.770   6.462
  543   1HE2  GLN  65          1HE2      GLN  65  -2.021  14.298   5.833
  544    H    LEU  66           H        LEU  66  -4.490   9.629   0.866
  545    HA   LEU  66           HA       LEU  66  -3.421  11.290  -1.295
  546   1HB   LEU  66          1HB       LEU  66  -3.454   8.324  -0.783
  547   2HB   LEU  66          2HB       LEU  66  -2.949   8.997  -2.317
  548    HG   LEU  66           HG       LEU  66  -1.089  10.143  -1.247
  549   1HD1  LEU  66          1HD1      LEU  66  -2.539   9.290   1.222
  550   2HD1  LEU  66          2HD1      LEU  66  -0.780   9.352   1.282
  551   3HD1  LEU  66          3HD1      LEU  66  -1.700  10.802   0.883
  552   1HD2  LEU  66          1HD2      LEU  66  -1.518   7.222  -0.923
  553   2HD2  LEU  66          2HD2      LEU  66  -0.234   8.082  -1.769
  554   3HD2  LEU  66          3HD2      LEU  66  -0.168   7.902  -0.017
  555    HA   PRO  67           HA       PRO  67  -7.092  10.852  -3.702
  556   1HB   PRO  67          1HB       PRO  67  -6.078  11.160  -6.227
  557   2HB   PRO  67          2HB       PRO  67  -6.281  12.487  -5.074
  558   1HG   PRO  67          1HG       PRO  67  -3.803  11.128  -5.954
  559   2HG   PRO  67          2HG       PRO  67  -4.029  12.765  -5.321
  560   1HD   PRO  67          1HD       PRO  67  -3.038  10.526  -3.884
  561   2HD   PRO  67          2HD       PRO  67  -3.510  12.099  -3.201
  562    H    VAL  68           H        VAL  68  -4.799   9.419  -5.999
  563    HA   VAL  68           HA       VAL  68  -5.122   6.724  -5.571
  564    HB   VAL  68           HB       VAL  68  -7.547   7.926  -6.756
  565   1HG1  VAL  68          1HG1      VAL  68  -6.573   7.002  -8.848
  566   2HG1  VAL  68          2HG1      VAL  68  -6.434   5.426  -8.068
  567   3HG1  VAL  68          3HG1      VAL  68  -8.025   6.132  -8.353
  568   1HG2  VAL  68          1HG2      VAL  68  -6.737   5.716  -5.028
  569   2HG2  VAL  68          2HG2      VAL  68  -8.265   6.593  -5.087
  570   3HG2  VAL  68          3HG2      VAL  68  -7.991   5.231  -6.170
  571    H    THR  69           H        THR  69  -4.513   5.423  -7.513
  572    HA   THR  69           HA       THR  69  -2.418   6.777  -8.945
  573    HB   THR  69           HB       THR  69  -2.477   4.411 -10.175
  574    HG1  THR  69           HG1      THR  69  -4.168   3.419  -9.355
  575   1HG2  THR  69          1HG2      THR  69  -1.565   4.986  -7.347
  576   2HG2  THR  69          2HG2      THR  69  -1.101   3.539  -8.243
  577   3HG2  THR  69          3HG2      THR  69  -0.618   5.131  -8.827
  578    H    ALA  70           H        ALA  70  -2.667   7.902 -10.745
  579    HA   ALA  70           HA       ALA  70  -4.310   6.947 -12.917
  580   1HB   ALA  70          1HB       ALA  70  -5.940   8.619 -12.989
  581   2HB   ALA  70          2HB       ALA  70  -5.852   8.249 -11.267
  582   3HB   ALA  70          3HB       ALA  70  -5.042   9.679 -11.905
  583    H    ARG  71           H        ARG  71  -4.457   9.001 -14.559
  584    HA   ARG  71           HA       ARG  71  -1.807   9.416 -15.440
  585   1HB   ARG  71          1HB       ARG  71  -4.171   9.633 -16.665
  586   2HB   ARG  71          2HB       ARG  71  -3.923  11.336 -16.279
  587   1HG   ARG  71          1HG       ARG  71  -1.624  11.149 -17.305
  588   2HG   ARG  71          2HG       ARG  71  -2.067   9.532 -17.853
  589   1HD   ARG  71          1HD       ARG  71  -3.445  12.127 -18.585
  590   2HD   ARG  71          2HD       ARG  71  -2.480  11.113 -19.653
  591    HE   ARG  71           HE       ARG  71  -4.452   9.434 -18.775
  592   1HH1  ARG  71          1HH1      ARG  71  -4.434  12.596 -20.275
  593   2HH1  ARG  71          2HH1      ARG  71  -5.956  12.356 -21.062
  594   1HH2  ARG  71          1HH2      ARG  71  -6.433   9.163 -19.818
  595   2HH2  ARG  71          2HH2      ARG  71  -7.079  10.430 -20.806

  No H/Q in entry =         595
  Start of MODEL   32
    1    H1   LEU   1           H1       LEU   1 -12.316 -11.605 -21.653
    2    H2   LEU   1           H2       LEU   1 -12.692 -12.254 -20.132
    3    H3   LEU   1           H3       LEU   1 -13.891 -11.456 -21.033
    4    HA   LEU   1           HA       LEU   1 -12.754  -9.363 -20.805
    5   1HB   LEU   1          1HB       LEU   1 -14.215 -10.543 -18.900
    6   2HB   LEU   1          2HB       LEU   1 -12.687 -10.446 -18.023
    7    HG   LEU   1           HG       LEU   1 -13.650  -8.020 -19.491
    8   1HD1  LEU   1          1HD1      LEU   1 -15.551  -9.034 -18.078
    9   2HD1  LEU   1          2HD1      LEU   1 -14.553  -8.646 -16.677
   10   3HD1  LEU   1          3HD1      LEU   1 -15.115  -7.359 -17.744
   11   1HD2  LEU   1          1HD2      LEU   1 -12.090  -8.574 -16.950
   12   2HD2  LEU   1          2HD2      LEU   1 -11.463  -7.923 -18.465
   13   3HD2  LEU   1          3HD2      LEU   1 -12.555  -6.955 -17.474
   14    H    GLY   2           H        GLY   2 -11.157 -11.888 -18.851
   15   1HA   GLY   2          1HA       GLY   2  -8.533 -11.041 -19.694
   16   2HA   GLY   2          2HA       GLY   2  -8.897 -12.306 -18.524
   17    H    ALA   3           H        ALA   3  -6.818 -10.769 -17.913
   18    HA   ALA   3           HA       ALA   3  -7.686  -8.539 -16.229
   19   1HB   ALA   3          1HB       ALA   3  -7.886 -10.067 -14.510
   20   2HB   ALA   3          2HB       ALA   3  -6.682 -11.157 -15.195
   21   3HB   ALA   3          3HB       ALA   3  -6.171  -9.680 -14.377
   22    H    SER   4           H        SER   4  -4.964 -10.661 -17.101
   23    HA   SER   4           HA       SER   4  -3.391  -8.548 -18.151
   24   1HB   SER   4          1HB       SER   4  -1.565  -8.885 -16.282
   25   2HB   SER   4          2HB       SER   4  -2.854  -7.706 -16.063
   26    HG   SER   4           HG       SER   4  -3.078  -8.847 -14.273
   27    H    TRP   5           H        TRP   5  -1.258  -9.274 -18.817
   28    HA   TRP   5           HA       TRP   5  -1.289 -11.953 -19.780
   29   1HB   TRP   5          1HB       TRP   5  -0.044  -9.799 -20.675
   30   2HB   TRP   5          2HB       TRP   5   1.258 -10.391 -19.642
   31    HD1  TRP   5           HD1      TRP   5  -0.976 -11.557 -22.556
   32    HE1  TRP   5           HE1      TRP   5   0.292 -13.378 -23.869
   33    HE3  TRP   5           HE3      TRP   5   3.159 -12.060 -19.601
   34    HZ2  TRP   5           HZ2      TRP   5   2.737 -14.854 -23.689
   35    HZ3  TRP   5           HZ3      TRP   5   4.940 -13.677 -20.194
   36    HH2  TRP   5           HH2      TRP   5   4.734 -15.074 -22.233
   37    H    HIS   6           H        HIS   6   0.188 -10.361 -17.028
   38    HA   HIS   6           HA       HIS   6   0.914 -12.992 -15.944
   39   1HB   HIS   6          1HB       HIS   6   3.111 -12.075 -15.170
   40   2HB   HIS   6          2HB       HIS   6   2.995 -12.241 -16.921
   41    HD1  HIS   6           HD1      HIS   6   3.345  -9.719 -14.213
   42    HD2  HIS   6           HD2      HIS   6   2.664  -9.728 -18.327
   43    HE1  HIS   6           HE1      HIS   6   3.714  -7.342 -15.006
   44    H    ARG   7           H        ARG   7   0.519 -13.173 -13.815
   45    HA   ARG   7           HA       ARG   7  -0.066 -10.698 -12.301
   46   1HB   ARG   7          1HB       ARG   7  -1.540 -13.329 -12.026
   47   2HB   ARG   7          2HB       ARG   7  -1.894 -11.824 -11.177
   48   1HG   ARG   7          1HG       ARG   7  -2.610 -10.742 -13.172
   49   2HG   ARG   7          2HG       ARG   7  -1.912 -12.000 -14.193
   50   1HD   ARG   7          1HD       ARG   7  -3.573 -13.532 -12.752
   51   2HD   ARG   7          2HD       ARG   7  -4.453 -12.012 -12.637
   52    HE   ARG   7           HE       ARG   7  -5.064 -12.295 -14.846
   53   1HH1  ARG   7          1HH1      ARG   7  -2.173 -14.166 -14.219
   54   2HH1  ARG   7          2HH1      ARG   7  -2.150 -14.872 -15.797
   55   1HH2  ARG   7          1HH2      ARG   7  -4.997 -13.239 -16.893
   56   2HH2  ARG   7          2HH2      ARG   7  -3.734 -14.352 -17.301
   57    HA   PRO   8           HA       PRO   8   3.009 -13.145  -9.925
   58   1HB   PRO   8          1HB       PRO   8   4.621 -11.034  -9.281
   59   2HB   PRO   8          2HB       PRO   8   4.759 -11.951 -10.788
   60   1HG   PRO   8          1HG       PRO   8   3.700  -9.227 -10.340
   61   2HG   PRO   8          2HG       PRO   8   4.390  -9.943 -11.805
   62   1HD   PRO   8          1HD       PRO   8   1.624  -9.552 -11.239
   63   2HD   PRO   8          2HD       PRO   8   2.317 -10.456 -12.606
   64    H    ASP   9           H        ASP   9   0.935 -13.139  -8.545
   65    HA   ASP   9           HA       ASP   9  -0.049 -12.878  -6.482
   66   1HB   ASP   9          1HB       ASP   9   2.658 -11.739  -5.743
   67   2HB   ASP   9          2HB       ASP   9   1.402 -12.220  -4.602
   68    H    LYS  10           H        LYS  10  -1.515 -11.326  -7.328
   69    HA   LYS  10           HA       LYS  10  -0.840  -8.498  -6.900
   70   1HB   LYS  10          1HB       LYS  10  -3.231  -9.790  -8.235
   71   2HB   LYS  10          2HB       LYS  10  -2.972  -8.051  -8.089
   72   1HG   LYS  10          1HG       LYS  10  -0.608  -8.705  -9.162
   73   2HG   LYS  10          2HG       LYS  10  -1.564 -10.038  -9.811
   74   1HD   LYS  10          1HD       LYS  10  -2.864  -8.657 -11.115
   75   2HD   LYS  10          2HD       LYS  10  -2.742  -7.305  -9.988
   76   1HE   LYS  10          1HE       LYS  10  -0.160  -7.470 -10.728
   77   2HE   LYS  10          2HE       LYS  10  -0.910  -8.103 -12.194
   78   1HZ   LYS  10          1HZ       LYS  10  -1.753  -5.577 -10.890
   79   2HZ   LYS  10          2HZ       LYS  10  -0.608  -5.642 -12.140
   80   3HZ   LYS  10          3HZ       LYS  10  -2.204  -6.152 -12.424
   81    H    CYS  11           H        CYS  11  -2.960 -11.051  -5.767
   82    HA   CYS  11           HA       CYS  11  -4.754  -9.515  -4.239
   83   1HB   CYS  11          1HB       CYS  11  -3.744 -12.308  -3.653
   84   2HB   CYS  11          2HB       CYS  11  -5.224 -11.580  -3.033
   85    H    CYS  12           H        CYS  12  -1.549 -10.796  -3.526
   86    HA   CYS  12           HA       CYS  12  -0.067 -10.370  -1.821
   87   1HB   CYS  12          1HB       CYS  12  -0.982  -7.947  -2.488
   88   2HB   CYS  12          2HB       CYS  12  -1.635  -8.028  -0.852
   89    H    LEU  13           H        LEU  13  -0.157 -11.841  -0.256
   90    HA   LEU  13           HA       LEU  13  -2.510 -12.097   1.441
   91   1HB   LEU  13          1HB       LEU  13   0.084 -13.619   1.279
   92   2HB   LEU  13          2HB       LEU  13  -1.133 -13.941   2.494
   93    HG   LEU  13           HG       LEU  13  -1.310 -15.540   0.663
   94   1HD1  LEU  13          1HD1      LEU  13  -3.379 -14.720   1.812
   95   2HD1  LEU  13          2HD1      LEU  13  -3.573 -13.524   0.530
   96   3HD1  LEU  13          3HD1      LEU  13  -3.672 -15.244   0.154
   97   1HD2  LEU  13          1HD2      LEU  13  -0.378 -13.748  -1.002
   98   2HD2  LEU  13          2HD2      LEU  13  -1.548 -14.929  -1.592
   99   3HD2  LEU  13          3HD2      LEU  13  -2.072 -13.292  -1.192
  100    H    GLY  14           H        GLY  14   0.791 -10.933   1.630
  101   1HA   GLY  14          1HA       GLY  14   2.011 -10.272   3.555
  102   2HA   GLY  14          2HA       GLY  14   0.543 -10.436   4.514
  103    H    TYR  15           H        TYR  15   1.529  -8.263   5.219
  104    HA   TYR  15           HA       TYR  15   0.875  -6.055   3.406
  105   1HB   TYR  15          1HB       TYR  15  -0.435  -6.462   6.104
  106   2HB   TYR  15          2HB       TYR  15  -0.464  -4.940   5.212
  107    HD1  TYR  15           HD1      TYR  15  -1.617  -8.447   5.250
  108    HD2  TYR  15           HD2      TYR  15  -1.759  -4.693   3.176
  109    HE1  TYR  15           HE1      TYR  15  -3.529  -9.266   3.897
  110    HE2  TYR  15           HE2      TYR  15  -3.669  -5.506   1.824
  111    HH   TYR  15           HH       TYR  15  -5.533  -8.023   2.609
  112    H    GLN  16           H        GLN  16   1.237  -3.907   4.798
  113    HA   GLN  16           HA       GLN  16   3.990  -3.786   5.365
  114   1HB   GLN  16          1HB       GLN  16   2.593  -1.811   4.743
  115   2HB   GLN  16          2HB       GLN  16   1.854  -1.873   6.338
  116   1HG   GLN  16          1HG       GLN  16   3.665  -0.228   6.333
  117   2HG   GLN  16          2HG       GLN  16   4.104  -1.589   7.364
  118   2HE2  GLN  16          2HE2      GLN  16   5.686  -3.165   6.478
  119   1HE2  GLN  16          1HE2      GLN  16   6.736  -2.700   5.227
  120    H    LYS  17           H        LYS  17   1.217  -3.643   7.568
  121    HA   LYS  17           HA       LYS  17   0.951  -4.567   9.685
  122   1HB   LYS  17          1HB       LYS  17   3.100  -6.016   9.043
  123   2HB   LYS  17          2HB       LYS  17   3.862  -4.928  10.204
  124   1HG   LYS  17          1HG       LYS  17   1.665  -5.524  11.615
  125   2HG   LYS  17          2HG       LYS  17   1.754  -6.993  10.641
  126   1HD   LYS  17          1HD       LYS  17   4.101  -7.316  11.355
  127   2HD   LYS  17          2HD       LYS  17   3.991  -5.863  12.350
  128   1HE   LYS  17          1HE       LYS  17   2.057  -8.158  12.683
  129   2HE   LYS  17          2HE       LYS  17   3.601  -8.118  13.533
  130   1HZ   LYS  17          1HZ       LYS  17   1.752  -5.818  13.616
  131   2HZ   LYS  17          2HZ       LYS  17   1.571  -7.121  14.686
  132   3HZ   LYS  17          3HZ       LYS  17   3.007  -6.214  14.692
  133    H    ARG  18           H        ARG  18   3.747  -2.468   9.105
  134    HA   ARG  18           HA       ARG  18   3.106  -1.005  11.584
  135   1HB   ARG  18          1HB       ARG  18   5.614  -1.344   9.975
  136   2HB   ARG  18          2HB       ARG  18   5.401   0.113  10.947
  137   1HG   ARG  18          1HG       ARG  18   5.337  -1.078  12.959
  138   2HG   ARG  18          2HG       ARG  18   4.882  -2.586  12.164
  139   1HD   ARG  18          1HD       ARG  18   7.210  -2.362  10.989
  140   2HD   ARG  18          2HD       ARG  18   7.581  -1.273  12.321
  141    HE   ARG  18           HE       ARG  18   6.510  -3.605  13.436
  142   1HH1  ARG  18          1HH1      ARG  18   9.312  -2.643  11.571
  143   2HH1  ARG  18          2HH1      ARG  18  10.318  -3.886  12.230
  144   1HH2  ARG  18          1HH2      ARG  18   7.857  -5.212  14.268
  145   2HH2  ARG  18          2HH2      ARG  18   9.504  -5.329  13.744
  146    HA   PRO  19           HA       PRO  19   1.694   2.339   9.065
  147   1HB   PRO  19          1HB       PRO  19   1.926   4.403  10.840
  148   2HB   PRO  19          2HB       PRO  19   0.679   3.152  10.939
  149   1HG   PRO  19          1HG       PRO  19   3.065   3.550  12.626
  150   2HG   PRO  19          2HG       PRO  19   1.558   2.697  12.988
  151   1HD   PRO  19          1HD       PRO  19   4.064   1.531  12.251
  152   2HD   PRO  19          2HD       PRO  19   2.510   0.692  12.472
  153    H    LEU  20           H        LEU  20   2.478   3.717   7.562
  154    HA   LEU  20           HA       LEU  20   5.266   4.658   7.877
  155   1HB   LEU  20          1HB       LEU  20   4.026   4.696   5.194
  156   2HB   LEU  20          2HB       LEU  20   5.664   4.313   5.667
  157    HG   LEU  20           HG       LEU  20   3.254   2.488   5.734
  158   1HD1  LEU  20          1HD1      LEU  20   4.878   3.068   3.656
  159   2HD1  LEU  20          2HD1      LEU  20   5.831   1.795   4.419
  160   3HD1  LEU  20          3HD1      LEU  20   4.178   1.469   3.900
  161   1HD2  LEU  20          1HD2      LEU  20   5.874   2.365   7.143
  162   2HD2  LEU  20          2HD2      LEU  20   4.323   1.654   7.590
  163   3HD2  LEU  20          3HD2      LEU  20   5.329   0.878   6.367
  164    HA   PRO  21           HA       PRO  21   3.661   8.777   7.615
  165   1HB   PRO  21          1HB       PRO  21   5.932  10.114   6.886
  166   2HB   PRO  21          2HB       PRO  21   5.657   9.453   8.508
  167   1HG   PRO  21          1HG       PRO  21   7.461   8.492   6.376
  168   2HG   PRO  21          2HG       PRO  21   7.546   8.235   8.124
  169   1HD   PRO  21          1HD       PRO  21   6.599   6.388   6.156
  170   2HD   PRO  21          2HD       PRO  21   6.546   6.195   7.924
  171    H    GLN  22           H        GLN  22   2.650  10.074   6.150
  172    HA   GLN  22           HA       GLN  22   2.752   9.416   3.355
  173   1HB   GLN  22          1HB       GLN  22   0.688  10.202   4.533
  174   2HB   GLN  22          2HB       GLN  22   1.425  11.797   4.670
  175   1HG   GLN  22          1HG       GLN  22   1.475  10.632   1.949
  176   2HG   GLN  22          2HG       GLN  22  -0.132  11.013   2.564
  177   2HE2  GLN  22          2HE2      GLN  22  -0.156  12.783   0.892
  178   1HE2  GLN  22          1HE2      GLN  22   0.638  14.244   1.228
  179    H    VAL  23           H        VAL  23   4.732  11.346   5.290
  180    HA   VAL  23           HA       VAL  23   5.243  13.635   3.831
  181    HB   VAL  23           HB       VAL  23   6.192  13.157   6.052
  182   1HG1  VAL  23          1HG1      VAL  23   6.824  10.716   5.128
  183   2HG1  VAL  23          2HG1      VAL  23   8.376  11.513   4.870
  184   3HG1  VAL  23          3HG1      VAL  23   7.672  11.456   6.485
  185   1HG2  VAL  23          1HG2      VAL  23   7.255  14.787   4.367
  186   2HG2  VAL  23          2HG2      VAL  23   8.266  14.258   5.713
  187   3HG2  VAL  23          3HG2      VAL  23   8.478  13.540   4.116
  188    H    LEU  24           H        LEU  24   6.029  10.344   3.008
  189    HA   LEU  24           HA       LEU  24   7.509  11.363   0.663
  190   1HB   LEU  24          1HB       LEU  24   9.108   9.694   0.771
  191   2HB   LEU  24          2HB       LEU  24   8.929  10.213   2.427
  192    HG   LEU  24           HG       LEU  24   9.112   7.890   2.582
  193   1HD1  LEU  24          1HD1      LEU  24   7.066   8.812   3.739
  194   2HD1  LEU  24          2HD1      LEU  24   6.115   8.242   2.369
  195   3HD1  LEU  24          3HD1      LEU  24   6.992   7.089   3.373
  196   1HD2  LEU  24          1HD2      LEU  24   8.601   7.775  -0.030
  197   2HD2  LEU  24          2HD2      LEU  24   8.435   6.352   0.999
  198   3HD2  LEU  24          3HD2      LEU  24   7.008   7.286   0.547
  199    H    LEU  25           H        LEU  25   4.704   9.865   1.566
  200    HA   LEU  25           HA       LEU  25   4.608   7.853  -0.507
  201   1HB   LEU  25          1HB       LEU  25   3.277   8.132   1.807
  202   2HB   LEU  25          2HB       LEU  25   2.126   8.896   0.736
  203    HG   LEU  25           HG       LEU  25   1.879   6.860  -0.543
  204   1HD1  LEU  25          1HD1      LEU  25   4.352   6.121   0.930
  205   2HD1  LEU  25          2HD1      LEU  25   3.186   4.824   0.670
  206   3HD1  LEU  25          3HD1      LEU  25   3.849   5.701  -0.707
  207   1HD2  LEU  25          1HD2      LEU  25   1.638   6.824   2.424
  208   2HD2  LEU  25          2HD2      LEU  25   0.391   6.634   1.191
  209   3HD2  LEU  25          3HD2      LEU  25   1.443   5.279   1.597
  210    H    SER  26           H        SER  26   2.638   7.939  -2.029
  211    HA   SER  26           HA       SER  26   2.285  10.682  -3.076
  212   1HB   SER  26          1HB       SER  26   3.920   8.938  -4.321
  213   2HB   SER  26          2HB       SER  26   2.388   8.474  -5.055
  214    HG   SER  26           HG       SER  26   3.030  10.126  -6.289
  215    H    SER  27           H        SER  27   1.168   7.395  -3.912
  216    HA   SER  27           HA       SER  27  -1.591   8.153  -3.291
  217   1HB   SER  27          1HB       SER  27  -0.573   8.235  -5.955
  218   2HB   SER  27          2HB       SER  27  -1.664   6.858  -5.845
  219    HG   SER  27           HG       SER  27  -3.247   8.240  -5.036
  220    H    TRP  28           H        TRP  28  -2.857   5.998  -4.494
  221    HA   TRP  28           HA       TRP  28  -1.469   3.565  -3.656
  222   1HB   TRP  28          1HB       TRP  28  -3.472   2.873  -2.275
  223   2HB   TRP  28          2HB       TRP  28  -2.483   4.148  -1.566
  224    HD1  TRP  28           HD1      TRP  28  -3.439   6.661  -1.693
  225    HE1  TRP  28           HE1      TRP  28  -5.856   7.542  -1.843
  226    HE3  TRP  28           HE3      TRP  28  -5.836   2.405  -3.194
  227    HZ2  TRP  28           HZ2      TRP  28  -8.462   6.566  -2.512
  228    HZ3  TRP  28           HZ3      TRP  28  -8.282   2.412  -3.581
  229    HH2  TRP  28           HH2      TRP  28  -9.598   4.485  -3.242
  230    H    TYR  29           H        TYR  29  -2.229   1.724  -4.655
  231    HA   TYR  29           HA       TYR  29  -4.384   2.161  -6.623
  232   1HB   TYR  29          1HB       TYR  29  -3.058   1.350  -8.255
  233   2HB   TYR  29          2HB       TYR  29  -1.730   1.506  -7.122
  234    HD1  TYR  29           HD1      TYR  29  -4.152  -0.823  -8.648
  235    HD2  TYR  29           HD2      TYR  29  -0.747  -0.450  -6.057
  236    HE1  TYR  29           HE1      TYR  29  -3.820  -3.274  -8.736
  237    HE2  TYR  29           HE2      TYR  29  -0.414  -2.907  -6.143
  238    HH   TYR  29           HH       TYR  29  -1.203  -4.799  -8.116
  239    HA   PRO  30           HA       PRO  30  -6.356  -1.153  -4.360
  240   1HB   PRO  30          1HB       PRO  30  -8.612  -1.347  -5.887
  241   2HB   PRO  30          2HB       PRO  30  -8.328  -0.048  -4.718
  242   1HG   PRO  30          1HG       PRO  30  -8.272   0.042  -7.668
  243   2HG   PRO  30          2HG       PRO  30  -8.543   1.348  -6.507
  244   1HD   PRO  30          1HD       PRO  30  -6.124   0.777  -7.921
  245   2HD   PRO  30          2HD       PRO  30  -6.361   1.990  -6.640
  246    H    THR  31           H        THR  31  -6.820  -3.387  -4.544
  247    HA   THR  31           HA       THR  31  -5.942  -4.622  -7.086
  248    HB   THR  31           HB       THR  31  -4.418  -5.139  -5.252
  249    HG1  THR  31           HG1      THR  31  -4.421  -6.936  -6.322
  250   1HG2  THR  31          1HG2      THR  31  -6.942  -5.464  -3.794
  251   2HG2  THR  31          2HG2      THR  31  -5.804  -6.783  -3.518
  252   3HG2  THR  31          3HG2      THR  31  -5.323  -5.121  -3.180
  253    H    SER  32           H        SER  32  -6.794  -7.043  -7.075
  254    HA   SER  32           HA       SER  32  -9.579  -6.913  -7.527
  255   1HB   SER  32          1HB       SER  32  -7.533  -9.070  -7.472
  256   2HB   SER  32          2HB       SER  32  -9.217  -9.561  -7.317
  257    HG   SER  32           HG       SER  32  -8.068  -7.956  -9.361
  258    H    GLN  33           H        GLN  33 -11.314  -7.362  -6.279
  259    HA   GLN  33           HA       GLN  33 -10.824  -7.823  -3.428
  260   1HB   GLN  33          1HB       GLN  33 -13.231  -7.205  -3.204
  261   2HB   GLN  33          2HB       GLN  33 -12.245  -5.936  -3.920
  262   1HG   GLN  33          1HG       GLN  33 -13.414  -7.843  -5.856
  263   2HG   GLN  33          2HG       GLN  33 -14.589  -6.848  -4.997
  264   2HE2  GLN  33          2HE2      GLN  33 -14.590  -4.554  -5.406
  265   1HE2  GLN  33          1HE2      GLN  33 -13.656  -3.855  -6.640
  266    H    LEU  34           H        LEU  34 -10.729  -9.963  -5.579
  267    HA   LEU  34           HA       LEU  34 -12.814 -11.726  -4.437
  268   1HB   LEU  34          1HB       LEU  34 -12.651 -13.008  -6.550
  269   2HB   LEU  34          2HB       LEU  34 -13.279 -11.387  -6.756
  270    HG   LEU  34           HG       LEU  34 -10.671 -10.916  -7.262
  271   1HD1  LEU  34          1HD1      LEU  34 -11.166 -13.830  -7.724
  272   2HD1  LEU  34          2HD1      LEU  34 -10.130 -12.951  -8.848
  273   3HD1  LEU  34          3HD1      LEU  34  -9.713 -13.021  -7.136
  274   1HD2  LEU  34          1HD2      LEU  34 -12.718 -10.467  -8.677
  275   2HD2  LEU  34          2HD2      LEU  34 -11.275 -10.908  -9.588
  276   3HD2  LEU  34          3HD2      LEU  34 -12.546 -12.100  -9.318
  277    H    CYS  35           H        CYS  35 -10.178 -11.212  -3.353
  278    HA   CYS  35           HA       CYS  35  -8.863 -13.824  -3.811
  279   1HB   CYS  35          1HB       CYS  35  -7.671 -11.291  -2.656
  280   2HB   CYS  35          2HB       CYS  35  -6.809 -12.794  -2.983
  281    H    SER  36           H        SER  36  -7.489 -14.382  -1.731
  282    HA   SER  36           HA       SER  36  -9.413 -14.837   0.368
  283   1HB   SER  36          1HB       SER  36  -7.705 -16.531  -0.245
  284   2HB   SER  36          2HB       SER  36  -6.445 -15.439   0.321
  285    HG   SER  36           HG       SER  36  -7.151 -16.993   1.901
  286    H    LYS  37           H        LYS  37  -6.626 -12.767  -0.149
  287    HA   LYS  37           HA       LYS  37  -7.359 -11.260   2.274
  288   1HB   LYS  37          1HB       LYS  37  -4.501 -11.941   1.539
  289   2HB   LYS  37          2HB       LYS  37  -5.045 -11.040   2.955
  290   1HG   LYS  37          1HG       LYS  37  -6.516 -13.283   3.270
  291   2HG   LYS  37          2HG       LYS  37  -5.125 -13.965   2.424
  292   1HD   LYS  37          1HD       LYS  37  -4.571 -12.064   4.656
  293   2HD   LYS  37          2HD       LYS  37  -5.150 -13.674   5.087
  294   1HE   LYS  37          1HE       LYS  37  -3.341 -14.707   3.813
  295   2HE   LYS  37          2HE       LYS  37  -2.791 -13.124   3.263
  296   1HZ   LYS  37          1HZ       LYS  37  -2.962 -13.895   6.121
  297   2HZ   LYS  37          2HZ       LYS  37  -1.548 -14.054   5.194
  298   3HZ   LYS  37          3HZ       LYS  37  -2.219 -12.518   5.468
  299    HA   PRO  38           HA       PRO  38  -6.630  -8.486  -1.344
  300   1HB   PRO  38          1HB       PRO  38  -9.013  -7.158  -1.211
  301   2HB   PRO  38          2HB       PRO  38  -8.780  -8.670  -2.102
  302   1HG   PRO  38          1HG       PRO  38 -10.191  -8.198   0.454
  303   2HG   PRO  38          2HG       PRO  38 -10.413  -9.489  -0.735
  304   1HD   PRO  38          1HD       PRO  38  -9.007  -9.671   1.736
  305   2HD   PRO  38          2HD       PRO  38  -9.059 -10.896   0.446
  306    H    GLY  39           H        GLY  39  -6.490  -6.114  -1.432
  307   1HA   GLY  39          1HA       GLY  39  -5.322  -4.964   0.839
  308   2HA   GLY  39          2HA       GLY  39  -6.999  -4.426   0.781
  309    H    VAL  40           H        VAL  40  -4.296  -3.085   0.318
  310    HA   VAL  40           HA       VAL  40  -4.483  -2.242  -2.469
  311    HB   VAL  40           HB       VAL  40  -4.790  -0.208  -0.248
  312   1HG1  VAL  40          1HG1      VAL  40  -3.699   0.209  -2.653
  313   2HG1  VAL  40          2HG1      VAL  40  -5.398   0.318  -3.115
  314   3HG1  VAL  40          3HG1      VAL  40  -4.747   1.399  -1.884
  315   1HG2  VAL  40          1HG2      VAL  40  -6.808  -1.441  -2.138
  316   2HG2  VAL  40          2HG2      VAL  40  -6.853  -1.441  -0.375
  317   3HG2  VAL  40          3HG2      VAL  40  -7.097   0.062  -1.264
  318    H    ILE  41           H        ILE  41  -2.561  -1.595  -3.262
  319    HA   ILE  41           HA       ILE  41  -0.291  -1.598  -1.397
  320    HB   ILE  41           HB       ILE  41  -0.376  -1.841  -4.420
  321   1HG1  ILE  41          1HG1      ILE  41   0.603  -4.143  -3.743
  322   2HG1  ILE  41          2HG1      ILE  41  -0.018  -3.776  -2.135
  323   1HG2  ILE  41          1HG2      ILE  41   1.693  -0.712  -3.594
  324   2HG2  ILE  41          2HG2      ILE  41   1.985  -2.084  -2.525
  325   3HG2  ILE  41          3HG2      ILE  41   2.026  -2.306  -4.273
  326   1HD1  ILE  41          1HD1      ILE  41  -1.875  -3.390  -4.434
  327   2HD1  ILE  41          2HD1      ILE  41  -1.505  -5.048  -3.959
  328   3HD1  ILE  41          3HD1      ILE  41  -2.216  -3.934  -2.792
  329    H    PHE  42           H        PHE  42   0.780   0.201  -0.913
  330    HA   PHE  42           HA       PHE  42  -0.061   2.715  -2.144
  331   1HB   PHE  42          1HB       PHE  42   1.556   2.003   0.293
  332   2HB   PHE  42          2HB       PHE  42   1.568   3.644  -0.356
  333    HD1  PHE  42           HD1      PHE  42  -0.577   0.975   1.062
  334    HD2  PHE  42           HD2      PHE  42  -0.346   5.084  -0.167
  335    HE1  PHE  42           HE1      PHE  42  -2.760   1.424   2.149
  336    HE2  PHE  42           HE2      PHE  42  -2.528   5.533   0.921
  337    HZ   PHE  42           HZ       PHE  42  -3.735   3.703   2.081
  338    H    LEU  43           H        LEU  43   1.151   3.921  -3.473
  339    HA   LEU  43           HA       LEU  43   3.822   2.876  -4.192
  340   1HB   LEU  43          1HB       LEU  43   2.243   4.792  -5.872
  341   2HB   LEU  43          2HB       LEU  43   3.545   3.731  -6.356
  342    HG   LEU  43           HG       LEU  43   1.572   2.838  -7.314
  343   1HD1  LEU  43          1HD1      LEU  43   2.343   1.365  -4.791
  344   2HD1  LEU  43          2HD1      LEU  43   1.200   0.699  -5.956
  345   3HD1  LEU  43          3HD1      LEU  43   2.859   1.040  -6.445
  346   1HD2  LEU  43          1HD2      LEU  43   0.214   4.155  -5.373
  347   2HD2  LEU  43          2HD2      LEU  43  -0.513   2.903  -6.379
  348   3HD2  LEU  43          3HD2      LEU  43   0.082   2.504  -4.768
  349    H    THR  44           H        THR  44   5.234   3.985  -2.909
  350    HA   THR  44           HA       THR  44   4.898   6.679  -2.091
  351    HB   THR  44           HB       THR  44   7.260   6.570  -1.436
  352    HG1  THR  44           HG1      THR  44   7.221   4.107  -2.838
  353   1HG2  THR  44          1HG2      THR  44   5.343   4.380  -0.841
  354   2HG2  THR  44          2HG2      THR  44   7.015   4.113  -0.342
  355   3HG2  THR  44          3HG2      THR  44   6.130   5.518   0.254
  356    H    LYS  45           H        LYS  45   6.521   8.421  -2.681
  357    HA   LYS  45           HA       LYS  45   6.253   9.100  -5.401
  358   1HB   LYS  45          1HB       LYS  45   8.073  10.157  -3.234
  359   2HB   LYS  45          2HB       LYS  45   8.031  10.841  -4.859
  360   1HG   LYS  45          1HG       LYS  45   5.905  11.704  -4.594
  361   2HG   LYS  45          2HG       LYS  45   5.426  10.450  -3.449
  362   1HD   LYS  45          1HD       LYS  45   5.637  12.360  -2.090
  363   2HD   LYS  45          2HD       LYS  45   7.181  11.537  -1.868
  364   1HE   LYS  45          1HE       LYS  45   8.342  13.066  -3.192
  365   2HE   LYS  45          2HE       LYS  45   6.893  13.555  -4.072
  366   1HZ   LYS  45          1HZ       LYS  45   6.079  14.600  -2.032
  367   2HZ   LYS  45          2HZ       LYS  45   7.524  14.184  -1.239
  368   3HZ   LYS  45          3HZ       LYS  45   7.555  15.274  -2.539
  369    H    ARG  46           H        ARG  46   9.176   8.145  -3.600
  370    HA   ARG  46           HA       ARG  46  10.268   7.030  -6.111
  371   1HB   ARG  46          1HB       ARG  46  11.284   9.258  -5.508
  372   2HB   ARG  46          2HB       ARG  46  11.901   8.491  -4.042
  373   1HG   ARG  46          1HG       ARG  46  13.327   7.058  -5.237
  374   2HG   ARG  46          2HG       ARG  46  12.420   7.254  -6.737
  375   1HD   ARG  46          1HD       ARG  46  14.146   9.346  -5.388
  376   2HD   ARG  46          2HD       ARG  46  14.504   8.506  -6.893
  377    HE   ARG  46           HE       ARG  46  12.100   9.696  -7.393
  378   1HH1  ARG  46          1HH1      ARG  46  15.175  10.862  -6.190
  379   2HH1  ARG  46          2HH1      ARG  46  14.962  12.445  -6.852
  380   1HH2  ARG  46          1HH2      ARG  46  11.863  11.773  -8.239
  381   2HH2  ARG  46          2HH2      ARG  46  13.104  12.958  -8.003
  382    H    GLY  47           H        GLY  47   9.256   6.261  -3.069
  383   1HA   GLY  47          1HA       GLY  47   9.819   4.660  -1.505
  384   2HA   GLY  47          2HA       GLY  47  11.436   4.611  -2.196
  385    H    ARG  48           H        ARG  48   8.532   2.974  -1.840
  386    HA   ARG  48           HA       ARG  48   8.771   1.354  -4.254
  387   1HB   ARG  48          1HB       ARG  48   9.838   0.512  -1.634
  388   2HB   ARG  48          2HB       ARG  48   8.788  -0.671  -2.409
  389   1HG   ARG  48          1HG       ARG  48  10.191  -0.195  -4.543
  390   2HG   ARG  48          2HG       ARG  48  11.365   0.511  -3.431
  391   1HD   ARG  48          1HD       ARG  48  11.680  -1.539  -2.288
  392   2HD   ARG  48          2HD       ARG  48  10.223  -2.244  -2.978
  393    HE   ARG  48           HE       ARG  48  11.457  -2.834  -4.851
  394   1HH1  ARG  48          1HH1      ARG  48  13.212  -0.433  -3.002
  395   2HH1  ARG  48          2HH1      ARG  48  14.640  -0.570  -3.967
  396   1HH2  ARG  48          1HH2      ARG  48  13.341  -2.981  -6.083
  397   2HH2  ARG  48          2HH2      ARG  48  14.715  -2.001  -5.696
  398    H    GLN  49           H        GLN  49   7.284  -0.777  -3.673
  399    HA   GLN  49           HA       GLN  49   4.650   0.372  -3.169
  400   1HB   GLN  49          1HB       GLN  49   5.667  -2.198  -4.336
  401   2HB   GLN  49          2HB       GLN  49   4.006  -2.098  -3.757
  402   1HG   GLN  49          1HG       GLN  49   3.593  -1.318  -5.863
  403   2HG   GLN  49          2HG       GLN  49   4.153   0.210  -5.184
  404   2HE2  GLN  49          2HE2      GLN  49   4.981  -2.411  -7.373
  405   1HE2  GLN  49          1HE2      GLN  49   6.422  -1.724  -7.948
  406    H    VAL  50           H        VAL  50   3.136  -0.653  -1.699
  407    HA   VAL  50           HA       VAL  50   4.218  -2.464   0.316
  408    HB   VAL  50           HB       VAL  50   3.196   0.278   1.097
  409   1HG1  VAL  50          1HG1      VAL  50   2.706  -1.679   2.650
  410   2HG1  VAL  50          2HG1      VAL  50   4.450  -1.865   2.831
  411   3HG1  VAL  50          3HG1      VAL  50   3.660  -0.378   3.358
  412   1HG2  VAL  50          1HG2      VAL  50   5.967  -0.939   1.062
  413   2HG2  VAL  50          2HG2      VAL  50   5.423   0.516   0.227
  414   3HG2  VAL  50          3HG2      VAL  50   5.561   0.508   1.985
  415    H    CYS  51           H        CYS  51   2.694  -3.945   0.560
  416    HA   CYS  51           HA       CYS  51  -0.047  -3.541  -0.171
  417   1HB   CYS  51          1HB       CYS  51   1.389  -5.750   1.313
  418   2HB   CYS  51          2HB       CYS  51  -0.346  -5.785   1.006
  419    H    ALA  52           H        ALA  52  -1.584  -2.580   1.020
  420    HA   ALA  52           HA       ALA  52  -1.413  -2.753   3.954
  421   1HB   ALA  52          1HB       ALA  52  -0.432  -0.620   3.563
  422   2HB   ALA  52          2HB       ALA  52  -1.643  -0.210   2.348
  423   3HB   ALA  52          3HB       ALA  52  -2.098  -0.312   4.049
  424    H    ASP  53           H        ASP  53  -3.299  -3.193   4.876
  425    HA   ASP  53           HA       ASP  53  -5.679  -3.382   3.206
  426   1HB   ASP  53          1HB       ASP  53  -4.892  -4.348   5.922
  427   2HB   ASP  53          2HB       ASP  53  -6.609  -4.161   5.565
  428    H    LYS  54           H        LYS  54  -7.405  -2.062   3.281
  429    HA   LYS  54           HA       LYS  54  -7.208   0.528   4.357
  430   1HB   LYS  54          1HB       LYS  54  -9.660   0.679   3.870
  431   2HB   LYS  54          2HB       LYS  54  -8.702   0.096   2.508
  432   1HG   LYS  54          1HG       LYS  54  -9.513  -2.063   2.678
  433   2HG   LYS  54          2HG       LYS  54  -9.815  -1.924   4.411
  434   1HD   LYS  54          1HD       LYS  54 -11.584  -0.116   3.637
  435   2HD   LYS  54          2HD       LYS  54 -11.507  -1.003   2.115
  436   1HE   LYS  54          1HE       LYS  54 -12.428  -2.916   3.020
  437   2HE   LYS  54          2HE       LYS  54 -11.779  -2.592   4.628
  438   1HZ   LYS  54          1HZ       LYS  54 -13.998  -1.094   3.342
  439   2HZ   LYS  54          2HZ       LYS  54 -14.185  -2.292   4.533
  440   3HZ   LYS  54          3HZ       LYS  54 -13.394  -0.839   4.911
  441    H    SER  55           H        SER  55  -8.295  -2.457   5.777
  442    HA   SER  55           HA       SER  55  -9.987  -1.544   7.798
  443   1HB   SER  55          1HB       SER  55  -8.299  -3.927   7.378
  444   2HB   SER  55          2HB       SER  55  -8.719  -3.585   9.052
  445    HG   SER  55           HG       SER  55 -10.624  -4.319   8.601
  446    H    LYS  56           H        LYS  56  -6.511  -1.353   7.514
  447    HA   LYS  56           HA       LYS  56  -5.833  -0.910  10.211
  448   1HB   LYS  56          1HB       LYS  56  -4.529   0.206   7.715
  449   2HB   LYS  56          2HB       LYS  56  -3.810   0.195   9.325
  450   1HG   LYS  56          1HG       LYS  56  -4.391  -2.396   9.187
  451   2HG   LYS  56          2HG       LYS  56  -4.302  -2.085   7.454
  452   1HD   LYS  56          1HD       LYS  56  -2.060  -0.892   8.005
  453   2HD   LYS  56          2HD       LYS  56  -2.144  -1.770   9.533
  454   1HE   LYS  56          1HE       LYS  56  -2.579  -3.283   6.984
  455   2HE   LYS  56          2HE       LYS  56  -0.932  -2.846   7.440
  456   1HZ   LYS  56          1HZ       LYS  56  -1.576  -3.803   9.709
  457   2HZ   LYS  56          2HZ       LYS  56  -2.858  -4.553   8.883
  458   3HZ   LYS  56          3HZ       LYS  56  -1.255  -4.892   8.445
  459    H    ASP  57           H        ASP  57  -4.873   1.295  10.913
  460    HA   ASP  57           HA       ASP  57  -7.018   3.279  10.594
  461   1HB   ASP  57          1HB       ASP  57  -5.934   4.379  12.568
  462   2HB   ASP  57          2HB       ASP  57  -6.504   2.741  12.891
  463    H    TRP  58           H        TRP  58  -3.485   2.993  10.416
  464    HA   TRP  58           HA       TRP  58  -3.094   5.702   9.583
  465   1HB   TRP  58          1HB       TRP  58  -0.793   5.001   9.030
  466   2HB   TRP  58          2HB       TRP  58  -1.266   4.496  10.648
  467    HD1  TRP  58           HD1      TRP  58  -1.746   1.893  11.043
  468    HE1  TRP  58           HE1      TRP  58  -0.933  -0.193   9.769
  469    HE3  TRP  58           HE3      TRP  58  -0.200   4.061   6.690
  470    HZ2  TRP  58           HZ2      TRP  58   0.225  -0.859   7.228
  471    HZ3  TRP  58           HZ3      TRP  58   0.757   2.686   4.867
  472    HH2  TRP  58           HH2      TRP  58   0.968   0.232   5.130
  473    H    VAL  59           H        VAL  59  -3.798   2.709   7.950
  474    HA   VAL  59           HA       VAL  59  -3.048   3.596   5.326
  475    HB   VAL  59           HB       VAL  59  -4.941   1.379   6.150
  476   1HG1  VAL  59          1HG1      VAL  59  -3.840   2.338   3.555
  477   2HG1  VAL  59          2HG1      VAL  59  -3.854   0.592   3.806
  478   3HG1  VAL  59          3HG1      VAL  59  -5.358   1.508   3.893
  479   1HG2  VAL  59          1HG2      VAL  59  -1.972   1.359   5.517
  480   2HG2  VAL  59          2HG2      VAL  59  -2.685   1.123   7.113
  481   3HG2  VAL  59          3HG2      VAL  59  -2.956  -0.068   5.841
  482    H    LYS  60           H        LYS  60  -5.973   3.635   7.270
  483    HA   LYS  60           HA       LYS  60  -7.800   4.372   5.242
  484   1HB   LYS  60          1HB       LYS  60  -8.295   3.599   7.650
  485   2HB   LYS  60          2HB       LYS  60  -8.026   5.281   8.106
  486   1HG   LYS  60          1HG       LYS  60  -9.814   6.045   6.715
  487   2HG   LYS  60          2HG       LYS  60  -9.943   4.483   5.908
  488   1HD   LYS  60          1HD       LYS  60 -10.465   3.531   8.254
  489   2HD   LYS  60          2HD       LYS  60 -10.746   5.208   8.723
  490   1HE   LYS  60          1HE       LYS  60 -12.630   5.408   7.406
  491   2HE   LYS  60          2HE       LYS  60 -12.057   4.232   6.224
  492   1HZ   LYS  60          1HZ       LYS  60 -12.465   2.472   7.829
  493   2HZ   LYS  60          2HZ       LYS  60 -13.019   3.605   8.962
  494   3HZ   LYS  60          3HZ       LYS  60 -13.887   3.350   7.525
  495    H    LYS  61           H        LYS  61  -5.816   6.298   7.465
  496    HA   LYS  61           HA       LYS  61  -6.796   8.837   6.723
  497   1HB   LYS  61          1HB       LYS  61  -4.163   7.929   7.878
  498   2HB   LYS  61          2HB       LYS  61  -4.494   9.626   7.530
  499   1HG   LYS  61          1HG       LYS  61  -6.509   9.519   8.965
  500   2HG   LYS  61          2HG       LYS  61  -6.145   7.832   9.336
  501   1HD   LYS  61          1HD       LYS  61  -3.889   8.620  10.191
  502   2HD   LYS  61          2HD       LYS  61  -4.495  10.269  10.043
  503   1HE   LYS  61          1HE       LYS  61  -5.136   9.881  12.214
  504   2HE   LYS  61          2HE       LYS  61  -6.547   9.196  11.408
  505   1HZ   LYS  61          1HZ       LYS  61  -5.386   7.026  11.448
  506   2HZ   LYS  61          2HZ       LYS  61  -4.162   7.730  12.393
  507   3HZ   LYS  61          3HZ       LYS  61  -5.749   7.626  12.992
  508    H    LEU  62           H        LEU  62  -4.119   6.887   5.452
  509    HA   LEU  62           HA       LEU  62  -3.106   8.783   3.628
  510   1HB   LEU  62          1HB       LEU  62  -3.144   5.777   3.458
  511   2HB   LEU  62          2HB       LEU  62  -2.217   6.819   2.400
  512    HG   LEU  62           HG       LEU  62  -1.786   7.085   5.340
  513   1HD1  LEU  62          1HD1      LEU  62  -1.224   4.671   3.692
  514   2HD1  LEU  62          2HD1      LEU  62   0.070   5.226   4.756
  515   3HD1  LEU  62          3HD1      LEU  62  -1.507   4.812   5.426
  516   1HD2  LEU  62          1HD2      LEU  62  -0.364   7.578   2.773
  517   2HD2  LEU  62          2HD2      LEU  62  -0.361   8.525   4.260
  518   3HD2  LEU  62          3HD2      LEU  62   0.638   7.077   4.136
  519    H    MET  63           H        MET  63  -5.573   6.280   3.299
  520    HA   MET  63           HA       MET  63  -6.133   6.459   0.581
  521   1HB   MET  63          1HB       MET  63  -7.931   5.896   2.937
  522   2HB   MET  63          2HB       MET  63  -8.509   5.825   1.273
  523   1HG   MET  63          1HG       MET  63  -6.296   4.334   0.989
  524   2HG   MET  63          2HG       MET  63  -6.603   4.027   2.698
  525   1HE   MET  63          1HE       MET  63  -7.018   3.446  -0.645
  526   2HE   MET  63          2HE       MET  63  -7.144   1.743  -0.186
  527   3HE   MET  63          3HE       MET  63  -8.490   2.544  -0.996
  528    H    GLN  64           H        GLN  64  -7.274   8.479   3.237
  529    HA   GLN  64           HA       GLN  64  -8.946  10.087   1.482
  530   1HB   GLN  64          1HB       GLN  64  -8.417   9.957   4.407
  531   2HB   GLN  64          2HB       GLN  64  -8.935  11.509   3.749
  532   1HG   GLN  64          1HG       GLN  64 -10.433   9.112   2.824
  533   2HG   GLN  64          2HG       GLN  64 -10.682   9.596   4.501
  534   2HE2  GLN  64          2HE2      GLN  64 -12.855  10.398   4.091
  535   1HE2  GLN  64          1HE2      GLN  64 -13.124  11.815   3.195
  536    H    GLN  65           H        GLN  65  -5.770  10.221   2.949
  537    HA   GLN  65           HA       GLN  65  -5.304  13.000   2.489
  538   1HB   GLN  65          1HB       GLN  65  -3.617  10.649   3.220
  539   2HB   GLN  65          2HB       GLN  65  -2.821  12.110   2.638
  540   1HG   GLN  65          1HG       GLN  65  -4.944  12.581   4.643
  541   2HG   GLN  65          2HG       GLN  65  -3.549  11.689   5.245
  542   2HE2  GLN  65          2HE2      GLN  65  -4.203  14.589   3.190
  543   1HE2  GLN  65          1HE2      GLN  65  -2.928  15.506   3.835
  544    H    LEU  66           H        LEU  66  -4.921  10.088   0.570
  545    HA   LEU  66           HA       LEU  66  -3.818  11.743  -1.626
  546   1HB   LEU  66          1HB       LEU  66  -3.589   8.760  -1.519
  547   2HB   LEU  66          2HB       LEU  66  -2.628   9.904  -2.430
  548    HG   LEU  66           HG       LEU  66  -2.524   9.633   0.582
  549   1HD1  LEU  66          1HD1      LEU  66  -1.710   7.692  -1.097
  550   2HD1  LEU  66          2HD1      LEU  66  -0.290   8.736  -1.171
  551   3HD1  LEU  66          3HD1      LEU  66  -0.831   8.092   0.379
  552   1HD2  LEU  66          1HD2      LEU  66  -1.089  11.258  -1.495
  553   2HD2  LEU  66          2HD2      LEU  66  -1.670  11.747   0.097
  554   3HD2  LEU  66          3HD2      LEU  66  -0.216  10.760  -0.045
  555    HA   PRO  67           HA       PRO  67  -7.467  10.672  -3.839
  556   1HB   PRO  67          1HB       PRO  67  -6.573  10.683  -6.433
  557   2HB   PRO  67          2HB       PRO  67  -6.852  12.148  -5.478
  558   1HG   PRO  67          1HG       PRO  67  -4.289  10.839  -6.214
  559   2HG   PRO  67          2HG       PRO  67  -4.638  12.548  -5.915
  560   1HD   PRO  67          1HD       PRO  67  -3.389  10.798  -4.103
  561   2HD   PRO  67          2HD       PRO  67  -4.112  12.371  -3.691
  562    H    VAL  68           H        VAL  68  -5.394   9.087  -6.229
  563    HA   VAL  68           HA       VAL  68  -5.358   6.504  -5.196
  564    HB   VAL  68           HB       VAL  68  -7.928   6.941  -5.515
  565   1HG1  VAL  68          1HG1      VAL  68  -7.224   7.432  -8.122
  566   2HG1  VAL  68          2HG1      VAL  68  -7.708   5.737  -8.188
  567   3HG1  VAL  68          3HG1      VAL  68  -8.834   6.952  -7.584
  568   1HG2  VAL  68          1HG2      VAL  68  -6.517   4.780  -5.079
  569   2HG2  VAL  68          2HG2      VAL  68  -8.212   4.643  -5.546
  570   3HG2  VAL  68          3HG2      VAL  68  -6.944   4.398  -6.747
  571    H    THR  69           H        THR  69  -5.010   4.828  -7.009
  572    HA   THR  69           HA       THR  69  -2.896   5.714  -8.636
  573    HB   THR  69           HB       THR  69  -3.111   3.370  -7.993
  574    HG1  THR  69           HG1      THR  69  -2.757   2.494 -10.086
  575   1HG2  THR  69          1HG2      THR  69  -5.627   3.318  -8.145
  576   2HG2  THR  69          2HG2      THR  69  -5.462   3.240  -9.899
  577   3HG2  THR  69          3HG2      THR  69  -4.833   1.934  -8.897
  578    H    ALA  70           H        ALA  70  -6.298   5.076  -9.412
  579    HA   ALA  70           HA       ALA  70  -7.609   5.718 -11.189
  580   1HB   ALA  70          1HB       ALA  70  -7.355   7.876 -11.958
  581   2HB   ALA  70          2HB       ALA  70  -6.369   7.962 -10.497
  582   3HB   ALA  70          3HB       ALA  70  -5.599   7.744 -12.069
  583    H    ARG  71           H        ARG  71  -7.749   5.687 -13.530
  584    HA   ARG  71           HA       ARG  71  -5.551   4.106 -14.718
  585   1HB   ARG  71          1HB       ARG  71  -8.482   4.269 -15.456
  586   2HB   ARG  71          2HB       ARG  71  -7.274   3.352 -16.356
  587   1HG   ARG  71          1HG       ARG  71  -7.970   1.669 -14.960
  588   2HG   ARG  71          2HG       ARG  71  -6.779   2.401 -13.885
  589   1HD   ARG  71          1HD       ARG  71  -8.572   2.426 -12.453
  590   2HD   ARG  71          2HD       ARG  71  -8.874   3.954 -13.273
  591    HE   ARG  71           HE       ARG  71 -10.177   2.035 -14.785
  592   1HH1  ARG  71          1HH1      ARG  71 -10.286   3.147 -11.466
  593   2HH1  ARG  71          2HH1      ARG  71 -11.960   2.758 -11.273
  594   1HH2  ARG  71          1HH2      ARG  71 -12.358   1.544 -14.488
  595   2HH2  ARG  71          2HH2      ARG  71 -13.125   1.859 -12.968

  No H/Q in entry =         595
  Start of MODEL   33
    1    H1   LEU   1           H1       LEU   1 -20.645  -1.616 -11.697
    2    H2   LEU   1           H2       LEU   1 -19.571  -1.402 -10.399
    3    H3   LEU   1           H3       LEU   1 -20.084  -0.063 -11.310
    4    HA   LEU   1           HA       LEU   1 -18.799  -0.621 -13.138
    5   1HB   LEU   1          1HB       LEU   1 -17.426  -1.241 -10.529
    6   2HB   LEU   1          2HB       LEU   1 -16.543  -1.352 -12.053
    7    HG   LEU   1           HG       LEU   1 -17.681   1.041 -12.437
    8   1HD1  LEU   1          1HD1      LEU   1 -18.691   0.634 -10.015
    9   2HD1  LEU   1          2HD1      LEU   1 -17.113   1.231  -9.502
   10   3HD1  LEU   1          3HD1      LEU   1 -18.152   2.239 -10.507
   11   1HD2  LEU   1          1HD2      LEU   1 -15.180   0.307 -10.914
   12   2HD2  LEU   1          2HD2      LEU   1 -15.328   0.838 -12.589
   13   3HD2  LEU   1          3HD2      LEU   1 -15.566   1.990 -11.274
   14    H    GLY   2           H        GLY   2 -17.305  -2.240 -14.161
   15   1HA   GLY   2          1HA       GLY   2 -17.308  -4.282 -15.286
   16   2HA   GLY   2          2HA       GLY   2 -18.625  -4.822 -14.247
   17    H    ALA   3           H        ALA   3 -15.604  -5.563 -15.068
   18    HA   ALA   3           HA       ALA   3 -14.502  -6.066 -12.416
   19   1HB   ALA   3          1HB       ALA   3 -15.399  -8.295 -14.252
   20   2HB   ALA   3          2HB       ALA   3 -15.921  -7.997 -12.594
   21   3HB   ALA   3          3HB       ALA   3 -14.270  -8.528 -12.917
   22    H    SER   4           H        SER   4 -12.540  -5.229 -12.755
   23    HA   SER   4           HA       SER   4 -11.175  -5.576 -15.305
   24   1HB   SER   4          1HB       SER   4  -9.797  -4.387 -12.945
   25   2HB   SER   4          2HB       SER   4  -9.760  -3.894 -14.637
   26    HG   SER   4           HG       SER   4 -11.052  -2.409 -13.778
   27    H    TRP   5           H        TRP   5 -10.001  -7.315 -15.721
   28    HA   TRP   5           HA       TRP   5  -8.334  -8.472 -13.596
   29   1HB   TRP   5          1HB       TRP   5 -10.611  -9.713 -13.928
   30   2HB   TRP   5          2HB       TRP   5  -9.856 -10.324 -15.400
   31    HD1  TRP   5           HD1      TRP   5  -9.313 -10.242 -11.594
   32    HE1  TRP   5           HE1      TRP   5  -7.836 -12.252 -10.938
   33    HE3  TRP   5           HE3      TRP   5  -8.210 -12.075 -16.230
   34    HZ2  TRP   5           HZ2      TRP   5  -6.381 -14.358 -12.214
   35    HZ3  TRP   5           HZ3      TRP   5  -6.779 -14.081 -16.481
   36    HH2  TRP   5           HH2      TRP   5  -5.863 -15.225 -14.480
   37    H    HIS   6           H        HIS   6  -7.774  -6.817 -15.917
   38    HA   HIS   6           HA       HIS   6  -6.372  -8.699 -17.701
   39   1HB   HIS   6          1HB       HIS   6  -7.023  -5.762 -18.013
   40   2HB   HIS   6          2HB       HIS   6  -6.057  -6.689 -19.160
   41    HD1  HIS   6           HD1      HIS   6  -9.455  -5.711 -18.538
   42    HD2  HIS   6           HD2      HIS   6  -7.639  -9.138 -20.066
   43    HE1  HIS   6           HE1      HIS   6 -11.255  -6.977 -19.792
   44    H    ARG   7           H        ARG   7  -5.684  -5.407 -16.565
   45    HA   ARG   7           HA       ARG   7  -2.850  -5.912 -16.534
   46   1HB   ARG   7          1HB       ARG   7  -4.426  -3.629 -16.696
   47   2HB   ARG   7          2HB       ARG   7  -3.714  -3.517 -15.088
   48   1HG   ARG   7          1HG       ARG   7  -1.539  -3.428 -15.907
   49   2HG   ARG   7          2HG       ARG   7  -1.958  -4.259 -17.405
   50   1HD   ARG   7          1HD       ARG   7  -1.820  -2.134 -18.251
   51   2HD   ARG   7          2HD       ARG   7  -3.491  -2.072 -17.701
   52    HE   ARG   7           HE       ARG   7  -2.077  -1.247 -15.517
   53   1HH1  ARG   7          1HH1      ARG   7  -2.142  -0.261 -18.876
   54   2HH1  ARG   7          2HH1      ARG   7  -1.721   1.379 -18.521
   55   1HH2  ARG   7          1HH2      ARG   7  -1.530   0.901 -15.100
   56   2HH2  ARG   7          2HH2      ARG   7  -1.377   2.032 -16.401
   57    HA   PRO   8           HA       PRO   8  -3.347  -5.746 -11.803
   58   1HB   PRO   8          1HB       PRO   8  -5.845  -5.585 -10.711
   59   2HB   PRO   8          2HB       PRO   8  -4.879  -4.173 -11.165
   60   1HG   PRO   8          1HG       PRO   8  -7.257  -5.327 -12.495
   61   2HG   PRO   8          2HG       PRO   8  -6.647  -3.666 -12.518
   62   1HD   PRO   8          1HD       PRO   8  -6.336  -5.611 -14.567
   63   2HD   PRO   8          2HD       PRO   8  -5.526  -4.031 -14.470
   64    H    ASP   9           H        ASP   9  -2.713  -7.903 -11.831
   65    HA   ASP   9           HA       ASP   9  -4.806  -9.847 -11.120
   66   1HB   ASP   9          1HB       ASP   9  -3.684 -11.550 -12.569
   67   2HB   ASP   9          2HB       ASP   9  -4.443 -10.244 -13.480
   68    H    LYS  10           H        LYS  10  -2.836  -8.405  -9.555
   69    HA   LYS  10           HA       LYS  10  -1.421 -10.731  -8.433
   70   1HB   LYS  10          1HB       LYS  10   0.581  -9.294  -8.026
   71   2HB   LYS  10          2HB       LYS  10   0.278  -9.596  -9.737
   72   1HG   LYS  10          1HG       LYS  10  -1.128  -7.367  -9.571
   73   2HG   LYS  10          2HG       LYS  10  -0.108  -7.071  -8.162
   74   1HD   LYS  10          1HD       LYS  10   0.951  -7.765 -10.917
   75   2HD   LYS  10          2HD       LYS  10   0.839  -6.123 -10.280
   76   1HE   LYS  10          1HE       LYS  10   2.329  -6.707  -8.428
   77   2HE   LYS  10          2HE       LYS  10   2.396  -8.380  -8.984
   78   1HZ   LYS  10          1HZ       LYS  10   3.252  -6.052 -10.614
   79   2HZ   LYS  10          2HZ       LYS  10   4.312  -7.002  -9.690
   80   3HZ   LYS  10          3HZ       LYS  10   3.460  -7.697 -10.987
   81    H    CYS  11           H        CYS  11  -2.632 -10.886  -6.609
   82    HA   CYS  11           HA       CYS  11  -3.340  -8.517  -5.080
   83   1HB   CYS  11          1HB       CYS  11  -3.725 -11.431  -4.354
   84   2HB   CYS  11          2HB       CYS  11  -4.516 -10.042  -3.609
   85    H    CYS  12           H        CYS  12  -3.095  -9.189  -2.505
   86    HA   CYS  12           HA       CYS  12  -0.216  -9.737  -2.106
   87   1HB   CYS  12          1HB       CYS  12  -1.265  -7.248  -1.842
   88   2HB   CYS  12          2HB       CYS  12  -1.531  -7.868  -0.215
   89    H    LEU  13           H        LEU  13   0.274 -11.111  -0.496
   90    HA   LEU  13           HA       LEU  13  -1.934 -12.404   0.906
   91   1HB   LEU  13          1HB       LEU  13   1.015 -13.023   1.005
   92   2HB   LEU  13          2HB       LEU  13  -0.279 -14.024   1.625
   93    HG   LEU  13           HG       LEU  13   0.169 -13.361  -1.296
   94   1HD1  LEU  13          1HD1      LEU  13   0.937 -15.670   0.469
   95   2HD1  LEU  13          2HD1      LEU  13   0.584 -15.954  -1.236
   96   3HD1  LEU  13          3HD1      LEU  13   1.887 -14.858  -0.776
   97   1HD2  LEU  13          1HD2      LEU  13  -2.213 -13.787  -0.546
   98   2HD2  LEU  13          2HD2      LEU  13  -1.603 -14.944  -1.728
   99   3HD2  LEU  13          3HD2      LEU  13  -1.692 -15.389  -0.024
  100    H    GLY  14           H        GLY  14   0.914 -10.457   1.599
  101   1HA   GLY  14          1HA       GLY  14   1.755 -10.042   3.843
  102   2HA   GLY  14          2HA       GLY  14   0.131 -10.358   4.451
  103    H    TYR  15           H        TYR  15   1.478  -8.058   5.168
  104    HA   TYR  15           HA       TYR  15   0.595  -5.876   3.457
  105   1HB   TYR  15          1HB       TYR  15  -0.640  -6.396   6.166
  106   2HB   TYR  15          2HB       TYR  15  -0.696  -4.826   5.364
  107    HD1  TYR  15           HD1      TYR  15  -1.946  -4.517   3.277
  108    HD2  TYR  15           HD2      TYR  15  -1.898  -8.298   5.306
  109    HE1  TYR  15           HE1      TYR  15  -3.866  -5.272   1.906
  110    HE2  TYR  15           HE2      TYR  15  -3.820  -9.058   3.935
  111    HH   TYR  15           HH       TYR  15  -5.832  -7.552   2.599
  112    H    GLN  16           H        GLN  16   0.978  -3.722   4.736
  113    HA   GLN  16           HA       GLN  16   3.722  -3.505   5.253
  114   1HB   GLN  16          1HB       GLN  16   2.280  -1.584   4.626
  115   2HB   GLN  16          2HB       GLN  16   1.521  -1.658   6.211
  116   1HG   GLN  16          1HG       GLN  16   3.279   0.066   6.163
  117   2HG   GLN  16          2HG       GLN  16   3.705  -1.227   7.281
  118   2HE2  GLN  16          2HE2      GLN  16   5.993  -0.370   6.863
  119   1HE2  GLN  16          1HE2      GLN  16   6.823  -0.962   5.506
  120    H    LYS  17           H        LYS  17   0.991  -3.695   7.505
  121    HA   LYS  17           HA       LYS  17   0.883  -4.211   9.745
  122   1HB   LYS  17          1HB       LYS  17   2.328  -6.174   8.749
  123   2HB   LYS  17          2HB       LYS  17   3.630  -5.396   9.649
  124   1HG   LYS  17          1HG       LYS  17   1.870  -5.375  11.608
  125   2HG   LYS  17          2HG       LYS  17   1.119  -6.674  10.682
  126   1HD   LYS  17          1HD       LYS  17   3.537  -7.667  10.593
  127   2HD   LYS  17          2HD       LYS  17   3.837  -6.602  11.967
  128   1HE   LYS  17          1HE       LYS  17   3.123  -8.566  13.021
  129   2HE   LYS  17          2HE       LYS  17   1.627  -7.638  12.918
  130   1HZ   LYS  17          1HZ       LYS  17   1.371  -8.828  10.668
  131   2HZ   LYS  17          2HZ       LYS  17   2.501  -9.933  11.292
  132   3HZ   LYS  17          3HZ       LYS  17   1.020  -9.686  12.087
  133    H    ARG  18           H        ARG  18   2.396  -1.752   8.696
  134    HA   ARG  18           HA       ARG  18   3.263  -0.824  11.285
  135   1HB   ARG  18          1HB       ARG  18   5.236  -1.328   9.069
  136   2HB   ARG  18          2HB       ARG  18   5.510  -0.046  10.249
  137   1HG   ARG  18          1HG       ARG  18   4.972  -1.929  12.002
  138   2HG   ARG  18          2HG       ARG  18   5.391  -3.016  10.677
  139   1HD   ARG  18          1HD       ARG  18   7.599  -2.376  10.664
  140   2HD   ARG  18          2HD       ARG  18   7.238  -0.738  11.199
  141    HE   ARG  18           HE       ARG  18   7.485  -1.458  13.392
  142   1HH1  ARG  18          1HH1      ARG  18   7.103  -4.229  11.288
  143   2HH1  ARG  18          2HH1      ARG  18   7.450  -5.370  12.540
  144   1HH2  ARG  18          1HH2      ARG  18   7.932  -2.978  14.995
  145   2HH2  ARG  18          2HH2      ARG  18   7.916  -4.670  14.622
  146    HA   PRO  19           HA       PRO  19   1.800   2.812   9.183
  147   1HB   PRO  19          1HB       PRO  19   2.279   4.643  11.149
  148   2HB   PRO  19          2HB       PRO  19   0.950   3.475  11.190
  149   1HG   PRO  19          1HG       PRO  19   3.437   3.528  12.769
  150   2HG   PRO  19          2HG       PRO  19   1.901   2.723  13.115
  151   1HD   PRO  19          1HD       PRO  19   4.298   1.525  12.090
  152   2HD   PRO  19          2HD       PRO  19   2.719   0.745  12.344
  153    H    LEU  20           H        LEU  20   2.724   3.959   7.618
  154    HA   LEU  20           HA       LEU  20   5.482   4.962   8.014
  155   1HB   LEU  20          1HB       LEU  20   4.448   4.905   5.261
  156   2HB   LEU  20          2HB       LEU  20   6.013   4.437   5.883
  157    HG   LEU  20           HG       LEU  20   3.498   2.751   5.893
  158   1HD1  LEU  20          1HD1      LEU  20   6.052   2.750   4.280
  159   2HD1  LEU  20          2HD1      LEU  20   5.038   1.314   4.417
  160   3HD1  LEU  20          3HD1      LEU  20   4.390   2.785   3.692
  161   1HD2  LEU  20          1HD2      LEU  20   5.380   2.609   7.800
  162   2HD2  LEU  20          2HD2      LEU  20   4.611   1.166   7.144
  163   3HD2  LEU  20          3HD2      LEU  20   6.196   1.664   6.557
  164    HA   PRO  21           HA       PRO  21   3.843   9.033   7.441
  165   1HB   PRO  21          1HB       PRO  21   6.040  10.354   6.485
  166   2HB   PRO  21          2HB       PRO  21   5.868   9.818   8.165
  167   1HG   PRO  21          1HG       PRO  21   7.564   8.709   6.011
  168   2HG   PRO  21          2HG       PRO  21   7.771   8.624   7.765
  169   1HD   PRO  21          1HD       PRO  21   6.769   6.567   6.065
  170   2HD   PRO  21          2HD       PRO  21   6.789   6.565   7.845
  171    H    GLN  22           H        GLN  22   2.696  10.139   5.924
  172    HA   GLN  22           HA       GLN  22   2.648   9.227   3.213
  173   1HB   GLN  22          1HB       GLN  22   0.703  10.196   4.574
  174   2HB   GLN  22          2HB       GLN  22   1.389  11.777   4.207
  175   1HG   GLN  22          1HG       GLN  22   1.106   9.937   1.897
  176   2HG   GLN  22          2HG       GLN  22  -0.403  10.515   2.600
  177   2HE2  GLN  22          2HE2      GLN  22  -0.119  13.083   3.202
  178   1HE2  GLN  22          1HE2      GLN  22   0.477  14.010   1.911
  179    H    VAL  23           H        VAL  23   4.710  11.389   4.799
  180    HA   VAL  23           HA       VAL  23   5.060  13.497   3.052
  181    HB   VAL  23           HB       VAL  23   6.157  13.300   5.257
  182   1HG1  VAL  23          1HG1      VAL  23   6.808  10.829   4.750
  183   2HG1  VAL  23          2HG1      VAL  23   8.228  11.531   3.977
  184   3HG1  VAL  23          3HG1      VAL  23   7.922  11.818   5.690
  185   1HG2  VAL  23          1HG2      VAL  23   7.054  14.667   3.171
  186   2HG2  VAL  23          2HG2      VAL  23   7.987  14.583   4.666
  187   3HG2  VAL  23          3HG2      VAL  23   8.409  13.544   3.305
  188    H    LEU  24           H        LEU  24   6.500  10.275   2.897
  189    HA   LEU  24           HA       LEU  24   7.809  10.933   0.368
  190   1HB   LEU  24          1HB       LEU  24   9.227   9.237   0.798
  191   2HB   LEU  24          2HB       LEU  24   8.633   9.397   2.431
  192    HG   LEU  24           HG       LEU  24   7.616   7.385   0.402
  193   1HD1  LEU  24          1HD1      LEU  24   9.741   7.308   2.506
  194   2HD1  LEU  24          2HD1      LEU  24   8.780   5.856   2.217
  195   3HD1  LEU  24          3HD1      LEU  24   9.719   6.569   0.905
  196   1HD2  LEU  24          1HD2      LEU  24   6.581   8.316   2.938
  197   2HD2  LEU  24          2HD2      LEU  24   5.896   7.122   1.840
  198   3HD2  LEU  24          3HD2      LEU  24   7.045   6.624   3.078
  199    H    LEU  25           H        LEU  25   5.123   9.114   1.642
  200    HA   LEU  25           HA       LEU  25   4.564   7.448  -0.519
  201   1HB   LEU  25          1HB       LEU  25   3.433   7.795   1.877
  202   2HB   LEU  25          2HB       LEU  25   2.272   8.664   0.901
  203    HG   LEU  25           HG       LEU  25   1.780   6.681  -0.390
  204   1HD1  LEU  25          1HD1      LEU  25   4.271   5.717   0.917
  205   2HD1  LEU  25          2HD1      LEU  25   2.992   4.523   0.699
  206   3HD1  LEU  25          3HD1      LEU  25   3.645   5.381  -0.698
  207   1HD2  LEU  25          1HD2      LEU  25   1.726   6.594   2.587
  208   2HD2  LEU  25          2HD2      LEU  25   0.390   6.541   1.437
  209   3HD2  LEU  25          3HD2      LEU  25   1.348   5.092   1.743
  210    H    SER  26           H        SER  26   3.221   7.583  -2.279
  211    HA   SER  26           HA       SER  26   2.708  10.339  -3.228
  212   1HB   SER  26          1HB       SER  26   4.235   8.508  -4.466
  213   2HB   SER  26          2HB       SER  26   2.671   8.070  -5.145
  214    HG   SER  26           HG       SER  26   3.850  10.658  -5.114
  215    H    SER  27           H        SER  27   1.406   7.089  -3.959
  216    HA   SER  27           HA       SER  27  -1.295   7.992  -3.290
  217   1HB   SER  27          1HB       SER  27  -0.341   8.041  -5.977
  218   2HB   SER  27          2HB       SER  27  -1.496   6.720  -5.850
  219    HG   SER  27           HG       SER  27  -2.112   9.170  -6.148
  220    H    TRP  28           H        TRP  28  -2.704   5.921  -4.472
  221    HA   TRP  28           HA       TRP  28  -1.449   3.395  -3.698
  222   1HB   TRP  28          1HB       TRP  28  -3.435   2.818  -2.247
  223   2HB   TRP  28          2HB       TRP  28  -2.365   4.041  -1.568
  224    HD1  TRP  28           HD1      TRP  28  -3.200   6.567  -1.572
  225    HE1  TRP  28           HE1      TRP  28  -5.556   7.600  -1.721
  226    HE3  TRP  28           HE3      TRP  28  -5.837   2.520  -3.251
  227    HZ2  TRP  28           HZ2      TRP  28  -8.204   6.810  -2.471
  228    HZ3  TRP  28           HZ3      TRP  28  -8.267   2.694  -3.676
  229    HH2  TRP  28           HH2      TRP  28  -9.456   4.832  -3.284
  230    H    TYR  29           H        TYR  29  -2.270   1.675  -4.809
  231    HA   TYR  29           HA       TYR  29  -4.632   2.230  -6.501
  232   1HB   TYR  29          1HB       TYR  29  -3.720   0.842  -8.249
  233   2HB   TYR  29          2HB       TYR  29  -2.523   2.054  -7.815
  234    HD1  TYR  29           HD1      TYR  29  -0.638   1.371  -6.197
  235    HD2  TYR  29           HD2      TYR  29  -3.223  -1.459  -8.133
  236    HE1  TYR  29           HE1      TYR  29   1.017  -0.422  -5.782
  237    HE2  TYR  29           HE2      TYR  29  -1.566  -3.256  -7.717
  238    HH   TYR  29           HH       TYR  29   1.026  -3.312  -7.340
  239    HA   PRO  30           HA       PRO  30  -6.293  -1.285  -4.351
  240   1HB   PRO  30          1HB       PRO  30  -8.619  -1.543  -5.758
  241   2HB   PRO  30          2HB       PRO  30  -8.332  -0.278  -4.552
  242   1HG   PRO  30          1HG       PRO  30  -8.435  -0.071  -7.499
  243   2HG   PRO  30          2HG       PRO  30  -8.737   1.166  -6.271
  244   1HD   PRO  30          1HD       PRO  30  -6.366   0.842  -7.816
  245   2HD   PRO  30          2HD       PRO  30  -6.601   1.944  -6.439
  246    H    THR  31           H        THR  31  -6.580  -3.505  -4.551
  247    HA   THR  31           HA       THR  31  -5.807  -4.660  -7.162
  248    HB   THR  31           HB       THR  31  -4.194  -5.144  -5.396
  249    HG1  THR  31           HG1      THR  31  -4.485  -6.822  -6.791
  250   1HG2  THR  31          1HG2      THR  31  -6.673  -5.691  -3.874
  251   2HG2  THR  31          2HG2      THR  31  -5.338  -6.806  -3.580
  252   3HG2  THR  31          3HG2      THR  31  -5.117  -5.077  -3.314
  253    H    SER  32           H        SER  32  -6.575  -7.168  -7.049
  254    HA   SER  32           HA       SER  32  -9.350  -7.128  -7.505
  255   1HB   SER  32          1HB       SER  32  -7.285  -9.261  -7.244
  256   2HB   SER  32          2HB       SER  32  -8.975  -9.738  -7.141
  257    HG   SER  32           HG       SER  32  -9.296  -9.100  -9.169
  258    H    GLN  33           H        GLN  33 -11.102  -7.819  -6.314
  259    HA   GLN  33           HA       GLN  33 -10.657  -7.951  -3.402
  260   1HB   GLN  33          1HB       GLN  33 -12.284  -6.272  -4.643
  261   2HB   GLN  33          2HB       GLN  33 -13.380  -7.653  -4.596
  262   1HG   GLN  33          1HG       GLN  33 -13.798  -6.443  -2.583
  263   2HG   GLN  33          2HG       GLN  33 -12.817  -7.829  -2.105
  264   2HE2  GLN  33          2HE2      GLN  33 -11.764  -6.812  -0.304
  265   1HE2  GLN  33          1HE2      GLN  33 -10.698  -5.505  -0.490
  266    H    LEU  34           H        LEU  34 -10.095 -10.267  -4.890
  267    HA   LEU  34           HA       LEU  34 -11.961 -12.106  -3.628
  268   1HB   LEU  34          1HB       LEU  34 -12.075 -13.445  -5.818
  269   2HB   LEU  34          2HB       LEU  34 -13.148 -12.082  -5.613
  270    HG   LEU  34           HG       LEU  34 -12.115 -12.322  -7.897
  271   1HD1  LEU  34          1HD1      LEU  34 -12.783 -10.087  -6.502
  272   2HD1  LEU  34          2HD1      LEU  34 -11.108  -9.719  -6.911
  273   3HD1  LEU  34          3HD1      LEU  34 -12.271 -10.069  -8.189
  274   1HD2  LEU  34          1HD2      LEU  34  -9.614 -11.468  -6.403
  275   2HD2  LEU  34          2HD2      LEU  34  -9.867 -13.030  -7.181
  276   3HD2  LEU  34          3HD2      LEU  34  -9.773 -11.565  -8.156
  277    H    CYS  35           H        CYS  35  -9.310 -11.495  -3.051
  278    HA   CYS  35           HA       CYS  35  -7.881 -13.929  -3.950
  279   1HB   CYS  35          1HB       CYS  35  -6.942 -11.149  -3.355
  280   2HB   CYS  35          2HB       CYS  35  -5.847 -12.504  -3.073
  281    H    SER  36           H        SER  36  -9.772 -13.837  -1.771
  282    HA   SER  36           HA       SER  36  -9.939 -14.742   0.340
  283   1HB   SER  36          1HB       SER  36  -7.829 -16.056  -0.483
  284   2HB   SER  36          2HB       SER  36  -6.959 -14.963   0.589
  285    HG   SER  36           HG       SER  36  -8.034 -15.769   2.298
  286    H    LYS  37           H        LYS  37  -6.876 -12.908   0.329
  287    HA   LYS  37           HA       LYS  37  -8.063 -11.128   2.368
  288   1HB   LYS  37          1HB       LYS  37  -5.861 -11.011   3.492
  289   2HB   LYS  37          2HB       LYS  37  -6.532 -12.641   3.521
  290   1HG   LYS  37          1HG       LYS  37  -5.146 -12.869   1.256
  291   2HG   LYS  37          2HG       LYS  37  -4.193 -11.580   1.988
  292   1HD   LYS  37          1HD       LYS  37  -3.663 -12.905   3.888
  293   2HD   LYS  37          2HD       LYS  37  -4.911 -14.091   3.505
  294   1HE   LYS  37          1HE       LYS  37  -3.469 -14.237   1.232
  295   2HE   LYS  37          2HE       LYS  37  -2.189 -13.765   2.349
  296   1HZ   LYS  37          1HZ       LYS  37  -2.866 -15.602   3.800
  297   2HZ   LYS  37          2HZ       LYS  37  -4.020 -16.082   2.649
  298   3HZ   LYS  37          3HZ       LYS  37  -2.368 -16.148   2.269
  299    HA   PRO  38           HA       PRO  38  -6.162  -8.679  -1.080
  300   1HB   PRO  38          1HB       PRO  38  -8.428  -7.384  -1.886
  301   2HB   PRO  38          2HB       PRO  38  -7.917  -8.956  -2.519
  302   1HG   PRO  38          1HG       PRO  38 -10.126  -8.311  -0.666
  303   2HG   PRO  38          2HG       PRO  38  -9.927  -9.701  -1.742
  304   1HD   PRO  38          1HD       PRO  38  -9.470  -9.637   1.074
  305   2HD   PRO  38          2HD       PRO  38  -9.102 -10.974  -0.040
  306    H    GLY  39           H        GLY  39  -6.316  -6.221  -1.438
  307   1HA   GLY  39          1HA       GLY  39  -5.716  -4.840   0.917
  308   2HA   GLY  39          2HA       GLY  39  -7.404  -4.504   0.538
  309    H    VAL  40           H        VAL  40  -4.806  -2.882   0.444
  310    HA   VAL  40           HA       VAL  40  -4.809  -2.134  -2.404
  311    HB   VAL  40           HB       VAL  40  -5.069  -0.088  -0.190
  312   1HG1  VAL  40          1HG1      VAL  40  -3.993   0.241  -2.641
  313   2HG1  VAL  40          2HG1      VAL  40  -5.695   0.485  -3.031
  314   3HG1  VAL  40          3HG1      VAL  40  -4.911   1.499  -1.818
  315   1HG2  VAL  40          1HG2      VAL  40  -7.087  -1.541  -1.836
  316   2HG2  VAL  40          2HG2      VAL  40  -7.222  -0.911  -0.195
  317   3HG2  VAL  40          3HG2      VAL  40  -7.342   0.183  -1.573
  318    H    ILE  41           H        ILE  41  -2.892  -1.489  -3.172
  319    HA   ILE  41           HA       ILE  41  -0.608  -1.585  -1.328
  320    HB   ILE  41           HB       ILE  41  -0.849  -1.828  -4.333
  321   1HG1  ILE  41          1HG1      ILE  41   0.356  -4.033  -3.684
  322   2HG1  ILE  41          2HG1      ILE  41  -0.167  -3.656  -2.042
  323   1HG2  ILE  41          1HG2      ILE  41   1.687  -1.795  -2.661
  324   2HG2  ILE  41          2HG2      ILE  41   1.597  -2.163  -4.383
  325   3HG2  ILE  41          3HG2      ILE  41   1.203  -0.543  -3.807
  326   1HD1  ILE  41          1HD1      ILE  41  -2.227  -3.438  -4.179
  327   2HD1  ILE  41          2HD1      ILE  41  -1.699  -5.065  -3.749
  328   3HD1  ILE  41          3HD1      ILE  41  -2.385  -4.006  -2.517
  329    H    PHE  42           H        PHE  42   0.827   0.103  -1.129
  330    HA   PHE  42           HA       PHE  42  -0.125   2.702  -2.163
  331   1HB   PHE  42          1HB       PHE  42   1.290   1.843   0.321
  332   2HB   PHE  42          2HB       PHE  42   1.659   3.442  -0.321
  333    HD1  PHE  42           HD1      PHE  42  -1.005   1.267   1.030
  334    HD2  PHE  42           HD2      PHE  42   0.016   5.211  -0.328
  335    HE1  PHE  42           HE1      PHE  42  -3.108   2.147   2.006
  336    HE2  PHE  42           HE2      PHE  42  -2.087   6.091   0.646
  337    HZ   PHE  42           HZ       PHE  42  -3.646   4.560   1.817
  338    H    LEU  43           H        LEU  43   0.999   3.607  -3.756
  339    HA   LEU  43           HA       LEU  43   3.721   2.647  -4.318
  340   1HB   LEU  43          1HB       LEU  43   2.499   4.665  -6.097
  341   2HB   LEU  43          2HB       LEU  43   3.421   3.233  -6.490
  342    HG   LEU  43           HG       LEU  43   1.162   2.044  -5.667
  343   1HD1  LEU  43          1HD1      LEU  43   0.377   4.614  -5.394
  344   2HD1  LEU  43          2HD1      LEU  43  -0.059   4.359  -7.083
  345   3HD1  LEU  43          3HD1      LEU  43  -0.739   3.321  -5.830
  346   1HD2  LEU  43          1HD2      LEU  43   1.767   3.292  -8.361
  347   2HD2  LEU  43          2HD2      LEU  43   2.119   1.645  -7.838
  348   3HD2  LEU  43          3HD2      LEU  43   0.451   2.147  -8.109
  349    H    THR  44           H        THR  44   5.125   3.709  -2.996
  350    HA   THR  44           HA       THR  44   4.809   6.380  -2.125
  351    HB   THR  44           HB       THR  44   7.133   6.232  -1.398
  352    HG1  THR  44           HG1      THR  44   7.131   3.925  -3.041
  353   1HG2  THR  44          1HG2      THR  44   5.197   4.040  -0.949
  354   2HG2  THR  44          2HG2      THR  44   6.860   3.685  -0.480
  355   3HG2  THR  44          3HG2      THR  44   6.025   5.072   0.218
  356    H    LYS  45           H        LYS  45   6.437   8.129  -2.628
  357    HA   LYS  45           HA       LYS  45   6.219   8.907  -5.319
  358   1HB   LYS  45          1HB       LYS  45   7.970   9.864  -3.059
  359   2HB   LYS  45          2HB       LYS  45   8.058  10.581  -4.668
  360   1HG   LYS  45          1HG       LYS  45   5.942  11.501  -4.530
  361   2HG   LYS  45          2HG       LYS  45   5.355  10.247  -3.437
  362   1HD   LYS  45          1HD       LYS  45   5.569  11.911  -1.880
  363   2HD   LYS  45          2HD       LYS  45   7.246  11.366  -1.860
  364   1HE   LYS  45          1HE       LYS  45   7.676  13.056  -3.726
  365   2HE   LYS  45          2HE       LYS  45   6.078  13.712  -3.371
  366   1HZ   LYS  45          1HZ       LYS  45   6.818  13.959  -1.034
  367   2HZ   LYS  45          2HZ       LYS  45   8.384  13.507  -1.514
  368   3HZ   LYS  45          3HZ       LYS  45   7.681  14.929  -2.125
  369    H    ARG  46           H        ARG  46   9.138   7.873  -3.543
  370    HA   ARG  46           HA       ARG  46  10.232   6.880  -6.106
  371   1HB   ARG  46          1HB       ARG  46  11.274   9.049  -5.357
  372   2HB   ARG  46          2HB       ARG  46  11.867   8.186  -3.936
  373   1HG   ARG  46          1HG       ARG  46  13.291   6.818  -5.200
  374   2HG   ARG  46          2HG       ARG  46  12.390   7.096  -6.691
  375   1HD   ARG  46          1HD       ARG  46  13.128   9.490  -6.621
  376   2HD   ARG  46          2HD       ARG  46  14.136   9.097  -5.233
  377    HE   ARG  46           HE       ARG  46  14.677   7.369  -7.457
  378   1HH1  ARG  46          1HH1      ARG  46  15.285  10.565  -6.165
  379   2HH1  ARG  46          2HH1      ARG  46  16.784  10.745  -7.011
  380   1HH2  ARG  46          1HH2      ARG  46  16.635   7.645  -8.541
  381   2HH2  ARG  46          2HH2      ARG  46  17.542   9.107  -8.345
  382    H    GLY  47           H        GLY  47   9.208   5.955  -3.094
  383   1HA   GLY  47          1HA       GLY  47   9.785   4.267  -1.621
  384   2HA   GLY  47          2HA       GLY  47  11.361   4.171  -2.398
  385    H    ARG  48           H        ARG  48   8.406   2.660  -1.964
  386    HA   ARG  48           HA       ARG  48   8.416   1.173  -4.473
  387   1HB   ARG  48          1HB       ARG  48   9.564   0.122  -1.962
  388   2HB   ARG  48          2HB       ARG  48   8.417  -0.954  -2.755
  389   1HG   ARG  48          1HG       ARG  48  10.441   0.369  -4.495
  390   2HG   ARG  48          2HG       ARG  48  11.022  -0.900  -3.416
  391   1HD   ARG  48          1HD       ARG  48   8.579  -1.321  -5.125
  392   2HD   ARG  48          2HD       ARG  48  10.192  -1.589  -5.776
  393    HE   ARG  48           HE       ARG  48   9.817  -2.953  -3.281
  394   1HH1  ARG  48          1HH1      ARG  48   9.116  -3.115  -6.707
  395   2HH1  ARG  48          2HH1      ARG  48   8.988  -4.839  -6.714
  396   1HH2  ARG  48          1HH2      ARG  48   9.641  -5.200  -3.335
  397   2HH2  ARG  48          2HH2      ARG  48   9.283  -6.012  -4.823
  398    H    GLN  49           H        GLN  49   6.833  -0.897  -3.928
  399    HA   GLN  49           HA       GLN  49   4.291   0.356  -3.339
  400   1HB   GLN  49          1HB       GLN  49   5.187  -2.280  -4.407
  401   2HB   GLN  49          2HB       GLN  49   3.592  -2.193  -3.657
  402   1HG   GLN  49          1HG       GLN  49   2.918  -0.415  -5.161
  403   2HG   GLN  49          2HG       GLN  49   4.546  -0.308  -5.831
  404   2HE2  GLN  49          2HE2      GLN  49   3.661  -0.846  -7.989
  405   1HE2  GLN  49          1HE2      GLN  49   3.229  -2.446  -8.361
  406    H    VAL  50           H        VAL  50   2.798  -0.419  -1.735
  407    HA   VAL  50           HA       VAL  50   3.904  -2.073   0.419
  408    HB   VAL  50           HB       VAL  50   2.860   0.738   0.871
  409   1HG1  VAL  50          1HG1      VAL  50   3.379  -1.583   2.686
  410   2HG1  VAL  50          2HG1      VAL  50   3.830   0.022   3.258
  411   3HG1  VAL  50          3HG1      VAL  50   2.158  -0.316   2.808
  412   1HG2  VAL  50          1HG2      VAL  50   5.589  -0.541   1.148
  413   2HG2  VAL  50          2HG2      VAL  50   5.138   0.803   0.099
  414   3HG2  VAL  50          3HG2      VAL  50   5.176   1.024   1.848
  415    H    CYS  51           H        CYS  51   2.424  -3.605   0.642
  416    HA   CYS  51           HA       CYS  51  -0.342  -3.268  -0.043
  417   1HB   CYS  51          1HB       CYS  51   1.016  -5.453   1.561
  418   2HB   CYS  51          2HB       CYS  51  -0.619  -5.526   0.910
  419    H    ALA  52           H        ALA  52  -1.913  -2.412   1.204
  420    HA   ALA  52           HA       ALA  52  -1.707  -2.636   4.117
  421   1HB   ALA  52          1HB       ALA  52  -0.660  -0.406   3.108
  422   2HB   ALA  52          2HB       ALA  52  -2.355   0.083   3.089
  423   3HB   ALA  52          3HB       ALA  52  -1.592  -0.398   4.605
  424    H    ASP  53           H        ASP  53  -3.601  -3.229   4.881
  425    HA   ASP  53           HA       ASP  53  -5.986  -3.093   3.253
  426   1HB   ASP  53          1HB       ASP  53  -5.379  -4.130   6.017
  427   2HB   ASP  53          2HB       ASP  53  -7.038  -4.002   5.435
  428    H    LYS  54           H        LYS  54  -7.374  -1.454   3.197
  429    HA   LYS  54           HA       LYS  54  -7.029   0.959   4.552
  430   1HB   LYS  54          1HB       LYS  54  -9.385   1.461   3.865
  431   2HB   LYS  54          2HB       LYS  54  -8.374   0.867   2.546
  432   1HG   LYS  54          1HG       LYS  54  -9.390  -1.249   2.548
  433   2HG   LYS  54          2HG       LYS  54 -10.009  -1.054   4.188
  434   1HD   LYS  54          1HD       LYS  54 -10.948   0.912   2.159
  435   2HD   LYS  54          2HD       LYS  54 -11.569  -0.733   2.020
  436   1HE   LYS  54          1HE       LYS  54 -11.560   0.616   4.703
  437   2HE   LYS  54          2HE       LYS  54 -12.829   1.004   3.541
  438   1HZ   LYS  54          1HZ       LYS  54 -12.127  -1.772   4.302
  439   2HZ   LYS  54          2HZ       LYS  54 -13.332  -0.872   5.093
  440   3HZ   LYS  54          3HZ       LYS  54 -13.491  -1.245   3.443
  441    H    SER  55           H        SER  55  -8.567  -1.968   5.624
  442    HA   SER  55           HA       SER  55 -10.328  -0.981   7.565
  443   1HB   SER  55          1HB       SER  55  -9.551  -3.241   8.752
  444   2HB   SER  55          2HB       SER  55 -10.593  -3.246   7.332
  445    HG   SER  55           HG       SER  55  -7.988  -4.058   7.632
  446    H    LYS  56           H        LYS  56  -6.846  -1.209   7.546
  447    HA   LYS  56           HA       LYS  56  -6.324  -1.085  10.309
  448   1HB   LYS  56          1HB       LYS  56  -4.717   0.129   8.045
  449   2HB   LYS  56          2HB       LYS  56  -4.127  -0.195   9.675
  450   1HG   LYS  56          1HG       LYS  56  -4.548  -2.596   9.372
  451   2HG   LYS  56          2HG       LYS  56  -5.179  -2.291   7.753
  452   1HD   LYS  56          1HD       LYS  56  -3.100  -1.930   6.860
  453   2HD   LYS  56          2HD       LYS  56  -2.477  -1.200   8.341
  454   1HE   LYS  56          1HE       LYS  56  -1.372  -3.339   8.019
  455   2HE   LYS  56          2HE       LYS  56  -2.471  -3.479   9.391
  456   1HZ   LYS  56          1HZ       LYS  56  -3.171  -4.268   6.618
  457   2HZ   LYS  56          2HZ       LYS  56  -2.604  -5.350   7.796
  458   3HZ   LYS  56          3HZ       LYS  56  -4.083  -4.547   8.024
  459    H    ASP  57           H        ASP  57  -4.920   1.089  10.959
  460    HA   ASP  57           HA       ASP  57  -6.972   3.194  10.982
  461   1HB   ASP  57          1HB       ASP  57  -5.814   2.191  13.102
  462   2HB   ASP  57          2HB       ASP  57  -4.489   3.268  12.660
  463    H    TRP  58           H        TRP  58  -3.399   3.080  10.903
  464    HA   TRP  58           HA       TRP  58  -3.109   5.701   9.910
  465   1HB   TRP  58          1HB       TRP  58  -0.793   5.059   9.358
  466   2HB   TRP  58          2HB       TRP  58  -1.246   4.549  10.980
  467    HD1  TRP  58           HD1      TRP  58  -1.690   1.931  11.374
  468    HE1  TRP  58           HE1      TRP  58  -0.823  -0.138  10.104
  469    HE3  TRP  58           HE3      TRP  58  -0.166   4.135   7.031
  470    HZ2  TRP  58           HZ2      TRP  58   0.363  -0.775   7.562
  471    HZ3  TRP  58           HZ3      TRP  58   0.832   2.782   5.214
  472    HH2  TRP  58           HH2      TRP  58   1.093   0.336   5.472
  473    H    VAL  59           H        VAL  59  -3.700   2.662   8.301
  474    HA   VAL  59           HA       VAL  59  -2.997   3.595   5.677
  475    HB   VAL  59           HB       VAL  59  -4.818   1.295   6.430
  476   1HG1  VAL  59          1HG1      VAL  59  -4.830   2.150   4.036
  477   2HG1  VAL  59          2HG1      VAL  59  -3.123   1.713   3.954
  478   3HG1  VAL  59          3HG1      VAL  59  -4.340   0.465   4.222
  479   1HG2  VAL  59          1HG2      VAL  59  -1.819   1.398   5.975
  480   2HG2  VAL  59          2HG2      VAL  59  -2.621   1.086   7.514
  481   3HG2  VAL  59          3HG2      VAL  59  -2.760  -0.077   6.194
  482    H    LYS  60           H        LYS  60  -5.890   3.545   7.658
  483    HA   LYS  60           HA       LYS  60  -7.773   4.159   5.644
  484   1HB   LYS  60          1HB       LYS  60  -8.199   3.450   8.090
  485   2HB   LYS  60          2HB       LYS  60  -7.991   5.158   8.478
  486   1HG   LYS  60          1HG       LYS  60  -9.848   5.804   7.158
  487   2HG   LYS  60          2HG       LYS  60  -9.886   4.259   6.307
  488   1HD   LYS  60          1HD       LYS  60 -10.836   3.130   8.121
  489   2HD   LYS  60          2HD       LYS  60 -10.272   4.327   9.287
  490   1HE   LYS  60          1HE       LYS  60 -11.846   5.919   7.804
  491   2HE   LYS  60          2HE       LYS  60 -12.671   4.387   7.520
  492   1HZ   LYS  60          1HZ       LYS  60 -12.713   4.062   9.952
  493   2HZ   LYS  60          2HZ       LYS  60 -12.065   5.620  10.151
  494   3HZ   LYS  60          3HZ       LYS  60 -13.598   5.418   9.448
  495    H    LYS  61           H        LYS  61  -5.934   6.272   7.855
  496    HA   LYS  61           HA       LYS  61  -6.997   8.703   6.859
  497   1HB   LYS  61          1HB       LYS  61  -4.989   9.761   7.885
  498   2HB   LYS  61          2HB       LYS  61  -5.819   8.664   8.988
  499   1HG   LYS  61          1HG       LYS  61  -4.197   6.920   8.589
  500   2HG   LYS  61          2HG       LYS  61  -3.442   7.852   7.295
  501   1HD   LYS  61          1HD       LYS  61  -2.057   8.156   9.223
  502   2HD   LYS  61          2HD       LYS  61  -2.973   9.652   9.036
  503   1HE   LYS  61          1HE       LYS  61  -4.677   8.656  10.654
  504   2HE   LYS  61          2HE       LYS  61  -3.486   7.400  10.989
  505   1HZ   LYS  61          1HZ       LYS  61  -1.899   9.185  11.552
  506   2HZ   LYS  61          2HZ       LYS  61  -3.141  10.324  11.366
  507   3HZ   LYS  61          3HZ       LYS  61  -3.248   9.145  12.585
  508    H    LEU  62           H        LEU  62  -4.399   6.612   5.798
  509    HA   LEU  62           HA       LEU  62  -3.121   8.405   4.012
  510   1HB   LEU  62          1HB       LEU  62  -3.341   5.415   4.118
  511   2HB   LEU  62          2HB       LEU  62  -2.515   6.223   2.808
  512    HG   LEU  62           HG       LEU  62  -1.763   6.519   5.719
  513   1HD1  LEU  62          1HD1      LEU  62  -1.022   4.562   3.584
  514   2HD1  LEU  62          2HD1      LEU  62   0.246   5.114   4.677
  515   3HD1  LEU  62          3HD1      LEU  62  -1.186   4.316   5.321
  516   1HD2  LEU  62          1HD2      LEU  62  -0.710   7.536   3.097
  517   2HD2  LEU  62          2HD2      LEU  62  -0.845   8.373   4.644
  518   3HD2  LEU  62          3HD2      LEU  62   0.434   7.185   4.392
  519    H    MET  63           H        MET  63  -5.504   5.832   3.445
  520    HA   MET  63           HA       MET  63  -5.952   6.189   0.734
  521   1HB   MET  63          1HB       MET  63  -7.980   5.483   2.864
  522   2HB   MET  63          2HB       MET  63  -8.235   5.289   1.134
  523   1HG   MET  63          1HG       MET  63  -6.000   3.973   2.703
  524   2HG   MET  63          2HG       MET  63  -7.495   3.174   2.232
  525   1HE   MET  63          1HE       MET  63  -8.133   2.351   0.342
  526   2HE   MET  63          2HE       MET  63  -8.130   3.642  -0.857
  527   3HE   MET  63          3HE       MET  63  -7.253   2.138  -1.170
  528    H    GLN  64           H        GLN  64  -7.463   7.899   3.432
  529    HA   GLN  64           HA       GLN  64  -9.122   9.537   1.740
  530   1HB   GLN  64          1HB       GLN  64  -9.549   8.936   4.204
  531   2HB   GLN  64          2HB       GLN  64  -8.360  10.181   4.585
  532   1HG   GLN  64          1HG       GLN  64  -9.674  11.861   3.405
  533   2HG   GLN  64          2HG       GLN  64 -10.826  10.633   2.879
  534   2HE2  GLN  64          2HE2      GLN  64 -12.352   9.814   4.447
  535   1HE2  GLN  64          1HE2      GLN  64 -12.545  10.533   5.973
  536    H    GLN  65           H        GLN  65  -5.944   9.777   3.189
  537    HA   GLN  65           HA       GLN  65  -5.572  12.574   2.769
  538   1HB   GLN  65          1HB       GLN  65  -3.823  10.259   3.459
  539   2HB   GLN  65          2HB       GLN  65  -3.055  11.731   2.864
  540   1HG   GLN  65          1HG       GLN  65  -5.151  12.185   4.897
  541   2HG   GLN  65          2HG       GLN  65  -3.749  11.293   5.483
  542   2HE2  GLN  65          2HE2      GLN  65  -4.615  14.299   3.709
  543   1HE2  GLN  65          1HE2      GLN  65  -3.258  15.175   4.231
  544    H    LEU  66           H        LEU  66  -4.580   9.682   0.975
  545    HA   LEU  66           HA       LEU  66  -3.609  11.339  -1.241
  546   1HB   LEU  66          1HB       LEU  66  -3.550   8.358  -0.797
  547   2HB   LEU  66          2HB       LEU  66  -2.881   9.169  -2.195
  548    HG   LEU  66           HG       LEU  66  -1.952   9.558   0.661
  549   1HD1  LEU  66          1HD1      LEU  66  -1.525   7.341  -0.807
  550   2HD1  LEU  66          2HD1      LEU  66  -0.237   8.356  -1.455
  551   3HD1  LEU  66          3HD1      LEU  66  -0.300   8.009   0.272
  552   1HD2  LEU  66          1HD2      LEU  66  -1.325  10.847  -1.953
  553   2HD2  LEU  66          2HD2      LEU  66  -1.280  11.527  -0.326
  554   3HD2  LEU  66          3HD2      LEU  66   0.039  10.500  -0.889
  555    HA   PRO  67           HA       PRO  67  -7.345  10.642  -3.498
  556   1HB   PRO  67          1HB       PRO  67  -6.460  11.177  -6.033
  557   2HB   PRO  67          2HB       PRO  67  -6.762  12.418  -4.810
  558   1HG   PRO  67          1HG       PRO  67  -4.188  11.382  -5.834
  559   2HG   PRO  67          2HG       PRO  67  -4.563  12.951  -5.108
  560   1HD   PRO  67          1HD       PRO  67  -3.290  10.756  -3.826
  561   2HD   PRO  67          2HD       PRO  67  -3.889  12.239  -3.047
  562    H    VAL  68           H        VAL  68  -5.004   9.579  -5.946
  563    HA   VAL  68           HA       VAL  68  -4.986   6.856  -5.665
  564    HB   VAL  68           HB       VAL  68  -7.631   7.791  -6.565
  565   1HG1  VAL  68          1HG1      VAL  68  -6.294   5.606  -8.191
  566   2HG1  VAL  68          2HG1      VAL  68  -8.013   6.000  -8.227
  567   3HG1  VAL  68          3HG1      VAL  68  -6.827   7.171  -8.804
  568   1HG2  VAL  68          1HG2      VAL  68  -6.519   5.846  -4.874
  569   2HG2  VAL  68          2HG2      VAL  68  -8.229   6.114  -5.195
  570   3HG2  VAL  68          3HG2      VAL  68  -7.330   4.931  -6.143
  571    H    THR  69           H        THR  69  -3.857   5.880  -7.330
  572    HA   THR  69           HA       THR  69  -2.679   7.732  -9.253
  573    HB   THR  69           HB       THR  69  -1.140   6.287  -8.058
  574    HG1  THR  69           HG1      THR  69  -0.077   5.545  -9.817
  575   1HG2  THR  69          1HG2      THR  69  -2.958   4.108  -9.084
  576   2HG2  THR  69          2HG2      THR  69  -1.307   3.772  -8.560
  577   3HG2  THR  69          3HG2      THR  69  -2.476   4.436  -7.419
  578    H    ALA  70           H        ALA  70  -2.370   7.036 -11.508
  579    HA   ALA  70           HA       ALA  70  -4.880   6.211 -12.656
  580   1HB   ALA  70          1HB       ALA  70  -3.669   7.880 -13.858
  581   2HB   ALA  70          2HB       ALA  70  -2.197   6.908 -13.858
  582   3HB   ALA  70          3HB       ALA  70  -3.583   6.410 -14.829
  583    H    ARG  71           H        ARG  71  -5.494   4.198 -13.033
  584    HA   ARG  71           HA       ARG  71  -3.724   1.972 -12.649
  585   1HB   ARG  71          1HB       ARG  71  -5.694   0.616 -13.380
  586   2HB   ARG  71          2HB       ARG  71  -6.062   1.727 -12.059
  587   1HG   ARG  71          1HG       ARG  71  -7.327   3.125 -13.401
  588   2HG   ARG  71          2HG       ARG  71  -6.438   2.697 -14.864
  589   1HD   ARG  71          1HD       ARG  71  -7.506   0.503 -14.914
  590   2HD   ARG  71          2HD       ARG  71  -8.330   0.840 -13.397
  591    HE   ARG  71           HE       ARG  71  -8.998   2.860 -15.251
  592   1HH1  ARG  71          1HH1      ARG  71  -9.511  -0.561 -14.706
  593   2HH1  ARG  71          2HH1      ARG  71 -11.037  -0.576 -15.520
  594   1HH2  ARG  71          1HH2      ARG  71 -10.991   2.794 -16.304
  595   2HH2  ARG  71          2HH2      ARG  71 -11.869   1.305 -16.419

  No H/Q in entry =         595
  Start of MODEL   34
    1    H1   LEU   1           H1       LEU   1   2.147 -18.401  -7.881
    2    H2   LEU   1           H2       LEU   1   1.318 -17.195  -7.025
    3    H3   LEU   1           H3       LEU   1   1.604 -18.705  -6.301
    4    HA   LEU   1           HA       LEU   1  -0.582 -18.928  -6.919
    5   1HB   LEU   1          1HB       LEU   1   0.263 -17.163  -9.201
    6   2HB   LEU   1          2HB       LEU   1  -1.196 -18.143  -9.351
    7    HG   LEU   1           HG       LEU   1  -0.826 -16.551  -6.847
    8   1HD1  LEU   1          1HD1      LEU   1  -1.463 -15.437  -9.580
    9   2HD1  LEU   1          2HD1      LEU   1  -2.067 -14.667  -8.112
   10   3HD1  LEU   1          3HD1      LEU   1  -0.330 -14.815  -8.380
   11   1HD2  LEU   1          1HD2      LEU   1  -3.080 -17.583  -8.558
   12   2HD2  LEU   1          2HD2      LEU   1  -2.785 -17.846  -6.839
   13   3HD2  LEU   1          3HD2      LEU   1  -3.370 -16.281  -7.404
   14    H    GLY   2           H        GLY   2   1.763 -20.558  -7.230
   15   1HA   GLY   2          1HA       GLY   2   1.169 -22.072  -9.699
   16   2HA   GLY   2          2HA       GLY   2   1.207 -22.891  -8.139
   17    H    ALA   3           H        ALA   3   3.185 -20.774 -10.213
   18    HA   ALA   3           HA       ALA   3   5.430 -22.487 -10.225
   19   1HB   ALA   3          1HB       ALA   3   5.072 -19.568 -10.880
   20   2HB   ALA   3          2HB       ALA   3   6.652 -20.344 -10.964
   21   3HB   ALA   3          3HB       ALA   3   5.332 -20.917 -11.984
   22    H    SER   4           H        SER   4   4.515 -19.777  -8.171
   23    HA   SER   4           HA       SER   4   5.353 -19.011  -6.171
   24   1HB   SER   4          1HB       SER   4   6.660 -21.740  -6.096
   25   2HB   SER   4          2HB       SER   4   6.539 -20.629  -4.735
   26    HG   SER   4           HG       SER   4   4.454 -21.045  -4.569
   27    H    TRP   5           H        TRP   5   6.783 -18.503  -8.650
   28    HA   TRP   5           HA       TRP   5   9.444 -17.961  -7.494
   29   1HB   TRP   5          1HB       TRP   5   8.819 -19.561  -9.857
   30   2HB   TRP   5          2HB       TRP   5   9.891 -18.216 -10.242
   31    HD1  TRP   5           HD1      TRP   5   9.979 -21.642  -8.991
   32    HE1  TRP   5           HE1      TRP   5  12.242 -22.170  -7.875
   33    HE3  TRP   5           HE3      TRP   5  11.848 -16.915  -8.516
   34    HZ2  TRP   5           HZ2      TRP   5  14.543 -20.769  -6.907
   35    HZ3  TRP   5           HZ3      TRP   5  14.076 -16.541  -7.494
   36    HH2  TRP   5           HH2      TRP   5  15.424 -18.460  -6.690
   37    H    HIS   6           H        HIS   6   7.905 -17.287 -10.620
   38    HA   HIS   6           HA       HIS   6   8.495 -14.429 -10.219
   39   1HB   HIS   6          1HB       HIS   6   8.013 -16.124 -12.658
   40   2HB   HIS   6          2HB       HIS   6   7.847 -14.369 -12.730
   41    HD1  HIS   6           HD1      HIS   6   9.983 -14.142 -14.217
   42    HD2  HIS   6           HD2      HIS   6  10.693 -15.860 -10.486
   43    HE1  HIS   6           HE1      HIS   6  12.495 -14.142 -13.895
   44    H    ARG   7           H        ARG   7   6.908 -12.842 -10.791
   45    HA   ARG   7           HA       ARG   7   4.811 -11.903 -10.679
   46   1HB   ARG   7          1HB       ARG   7   4.595 -13.712 -12.626
   47   2HB   ARG   7          2HB       ARG   7   3.489 -14.456 -11.470
   48   1HG   ARG   7          1HG       ARG   7   2.567 -11.976 -11.264
   49   2HG   ARG   7          2HG       ARG   7   3.271 -11.820 -12.874
   50   1HD   ARG   7          1HD       ARG   7   1.803 -13.327 -13.815
   51   2HD   ARG   7          2HD       ARG   7   1.612 -14.237 -12.321
   52    HE   ARG   7           HE       ARG   7   0.489 -11.587 -12.161
   53   1HH1  ARG   7          1HH1      ARG   7  -0.090 -14.872 -13.227
   54   2HH1  ARG   7          2HH1      ARG   7  -1.809 -14.723 -13.123
   55   1HH2  ARG   7          1HH2      ARG   7  -1.758 -11.437 -12.039
   56   2HH2  ARG   7          2HH2      ARG   7  -2.749 -12.795 -12.455
   57    HA   PRO   8           HA       PRO   8   3.853 -13.944  -6.682
   58   1HB   PRO   8          1HB       PRO   8   3.970 -11.675  -5.167
   59   2HB   PRO   8          2HB       PRO   8   5.384 -12.664  -5.566
   60   1HG   PRO   8          1HG       PRO   8   4.589 -10.016  -6.615
   61   2HG   PRO   8          2HG       PRO   8   6.194 -10.754  -6.515
   62   1HD   PRO   8          1HD       PRO   8   4.550 -10.563  -8.833
   63   2HD   PRO   8          2HD       PRO   8   6.062 -11.485  -8.673
   64    H    ASP   9           H        ASP   9   2.140 -13.300  -4.981
   65    HA   ASP   9           HA       ASP   9  -0.340 -12.854  -6.306
   66   1HB   ASP   9          1HB       ASP   9   0.153 -14.154  -4.101
   67   2HB   ASP   9          2HB       ASP   9  -0.008 -12.573  -3.335
   68    H    LYS  10           H        LYS  10  -1.202 -10.989  -6.901
   69    HA   LYS  10           HA       LYS  10  -0.073  -8.468  -6.216
   70   1HB   LYS  10          1HB       LYS  10  -1.507  -9.164  -8.294
   71   2HB   LYS  10          2HB       LYS  10  -2.872  -8.739  -7.261
   72   1HG   LYS  10          1HG       LYS  10  -2.407  -6.700  -8.310
   73   2HG   LYS  10          2HG       LYS  10  -1.505  -6.551  -6.802
   74   1HD   LYS  10          1HD       LYS  10   0.133  -5.949  -8.334
   75   2HD   LYS  10          2HD       LYS  10   0.424  -7.685  -8.217
   76   1HE   LYS  10          1HE       LYS  10  -0.996  -8.055 -10.206
   77   2HE   LYS  10          2HE       LYS  10  -1.269  -6.317 -10.329
   78   1HZ   LYS  10          1HZ       LYS  10   1.412  -7.586 -10.403
   79   2HZ   LYS  10          2HZ       LYS  10   0.526  -7.162 -11.786
   80   3HZ   LYS  10          3HZ       LYS  10   1.042  -5.955 -10.706
   81    H    CYS  11           H        CYS  11  -2.749 -10.363  -4.974
   82    HA   CYS  11           HA       CYS  11  -3.919  -8.286  -3.401
   83   1HB   CYS  11          1HB       CYS  11  -4.103 -11.281  -3.018
   84   2HB   CYS  11          2HB       CYS  11  -5.183 -10.069  -2.329
   85    H    CYS  12           H        CYS  12  -1.089 -10.198  -3.006
   86    HA   CYS  12           HA       CYS  12   0.479 -10.292  -1.334
   87   1HB   CYS  12          1HB       CYS  12  -1.144  -8.143   0.049
   88   2HB   CYS  12          2HB       CYS  12   0.539  -8.566   0.355
   89    H    LEU  13           H        LEU  13   0.558 -12.009  -0.072
   90    HA   LEU  13           HA       LEU  13  -1.709 -13.159   1.187
   91   1HB   LEU  13          1HB       LEU  13   1.170 -13.636   1.935
   92   2HB   LEU  13          2HB       LEU  13  -0.186 -14.714   2.184
   93    HG   LEU  13           HG       LEU  13   0.522 -13.933  -0.616
   94   1HD1  LEU  13          1HD1      LEU  13   2.017 -15.916   1.121
   95   2HD1  LEU  13          2HD1      LEU  13   2.096 -15.908  -0.641
   96   3HD1  LEU  13          3HD1      LEU  13   2.688 -14.522   0.275
   97   1HD2  LEU  13          1HD2      LEU  13  -0.700 -16.288   0.824
   98   2HD2  LEU  13          2HD2      LEU  13  -1.404 -15.297  -0.452
   99   3HD2  LEU  13          3HD2      LEU  13  -0.115 -16.440  -0.832
  100    H    GLY  14           H        GLY  14   0.807 -10.964   2.251
  101   1HA   GLY  14          1HA       GLY  14   1.176 -10.583   4.691
  102   2HA   GLY  14          2HA       GLY  14  -0.575 -10.704   4.860
  103    H    TYR  15           H        TYR  15   1.062  -8.469   5.633
  104    HA   TYR  15           HA       TYR  15   0.517  -6.401   3.628
  105   1HB   TYR  15          1HB       TYR  15  -0.694  -6.410   6.404
  106   2HB   TYR  15          2HB       TYR  15  -0.640  -4.994   5.353
  107    HD1  TYR  15           HD1      TYR  15  -2.014  -8.416   5.740
  108    HD2  TYR  15           HD2      TYR  15  -2.072  -4.797   3.435
  109    HE1  TYR  15           HE1      TYR  15  -4.049  -9.200   4.559
  110    HE2  TYR  15           HE2      TYR  15  -4.103  -5.574   2.254
  111    HH   TYR  15           HH       TYR  15  -6.018  -8.051   3.328
  112    H    GLN  16           H        GLN  16   1.256  -4.190   4.567
  113    HA   GLN  16           HA       GLN  16   3.997  -4.349   5.165
  114   1HB   GLN  16          1HB       GLN  16   2.312  -2.304   4.436
  115   2HB   GLN  16          2HB       GLN  16   2.655  -1.896   6.116
  116   1HG   GLN  16          1HG       GLN  16   4.831  -2.602   4.134
  117   2HG   GLN  16          2HG       GLN  16   4.279  -0.948   4.388
  118   2HE2  GLN  16          2HE2      GLN  16   5.931  -3.678   5.951
  119   1HE2  GLN  16          1HE2      GLN  16   6.569  -2.769   7.235
  120    H    LYS  17           H        LYS  17   1.180  -3.953   7.238
  121    HA   LYS  17           HA       LYS  17   0.864  -4.262   9.488
  122   1HB   LYS  17          1HB       LYS  17   2.464  -6.281   8.855
  123   2HB   LYS  17          2HB       LYS  17   3.598  -5.389   9.870
  124   1HG   LYS  17          1HG       LYS  17   2.096  -5.447  11.745
  125   2HG   LYS  17          2HG       LYS  17   0.781  -6.069  10.746
  126   1HD   LYS  17          1HD       LYS  17   2.196  -8.106  10.293
  127   2HD   LYS  17          2HD       LYS  17   3.343  -7.503  11.490
  128   1HE   LYS  17          1HE       LYS  17   1.360  -7.388  13.109
  129   2HE   LYS  17          2HE       LYS  17   0.475  -8.350  11.925
  130   1HZ   LYS  17          1HZ       LYS  17   2.553  -9.855  12.038
  131   2HZ   LYS  17          2HZ       LYS  17   2.834  -9.084  13.525
  132   3HZ   LYS  17          3HZ       LYS  17   1.395  -9.951  13.274
  133    H    ARG  18           H        ARG  18   2.728  -1.976   8.297
  134    HA   ARG  18           HA       ARG  18   3.253  -0.830  10.930
  135   1HB   ARG  18          1HB       ARG  18   5.363  -1.291   8.829
  136   2HB   ARG  18          2HB       ARG  18   5.521  -0.013  10.032
  137   1HG   ARG  18          1HG       ARG  18   4.957  -2.887  10.782
  138   2HG   ARG  18          2HG       ARG  18   6.594  -2.253  10.630
  139   1HD   ARG  18          1HD       ARG  18   4.723  -0.629  12.262
  140   2HD   ARG  18          2HD       ARG  18   5.188  -2.184  12.944
  141    HE   ARG  18           HE       ARG  18   7.550  -1.011  12.109
  142   1HH1  ARG  18          1HH1      ARG  18   4.954  -0.185  14.307
  143   2HH1  ARG  18          2HH1      ARG  18   5.979   0.736  15.351
  144   1HH2  ARG  18          1HH2      ARG  18   8.852   0.200  13.497
  145   2HH2  ARG  18          2HH2      ARG  18   8.167   0.954  14.898
  146    HA   PRO  19           HA       PRO  19   1.752   2.661   8.636
  147   1HB   PRO  19          1HB       PRO  19   2.154   4.601  10.514
  148   2HB   PRO  19          2HB       PRO  19   0.859   3.399  10.600
  149   1HG   PRO  19          1HG       PRO  19   3.330   3.597  12.194
  150   2HG   PRO  19          2HG       PRO  19   1.807   2.783  12.574
  151   1HD   PRO  19          1HD       PRO  19   4.230   1.571  11.649
  152   2HD   PRO  19          2HD       PRO  19   2.656   0.781  11.906
  153    H    LEU  20           H        LEU  20   2.657   3.806   7.044
  154    HA   LEU  20           HA       LEU  20   5.446   4.726   7.355
  155   1HB   LEU  20          1HB       LEU  20   4.206   4.983   4.702
  156   2HB   LEU  20          2HB       LEU  20   5.778   4.366   5.151
  157    HG   LEU  20           HG       LEU  20   3.160   2.848   5.189
  158   1HD1  LEU  20          1HD1      LEU  20   5.521   3.016   3.364
  159   2HD1  LEU  20          2HD1      LEU  20   4.749   1.444   3.575
  160   3HD1  LEU  20          3HD1      LEU  20   3.814   2.813   2.973
  161   1HD2  LEU  20          1HD2      LEU  20   5.164   2.422   6.955
  162   2HD2  LEU  20          2HD2      LEU  20   4.193   1.115   6.280
  163   3HD2  LEU  20          3HD2      LEU  20   5.773   1.484   5.592
  164    HA   PRO  21           HA       PRO  21   4.015   8.914   7.317
  165   1HB   PRO  21          1HB       PRO  21   6.251  10.202   6.409
  166   2HB   PRO  21          2HB       PRO  21   6.108   9.504   8.032
  167   1HG   PRO  21          1HG       PRO  21   7.654   8.532   5.705
  168   2HG   PRO  21          2HG       PRO  21   7.922   8.255   7.431
  169   1HD   PRO  21          1HD       PRO  21   6.738   6.441   5.581
  170   2HD   PRO  21          2HD       PRO  21   6.817   6.260   7.349
  171    H    GLN  22           H        GLN  22   2.788  10.114   5.963
  172    HA   GLN  22           HA       GLN  22   2.619   9.538   3.186
  173   1HB   GLN  22          1HB       GLN  22   0.779  10.474   4.682
  174   2HB   GLN  22          2HB       GLN  22   1.571  12.040   4.508
  175   1HG   GLN  22          1HG       GLN  22   1.097  10.522   1.997
  176   2HG   GLN  22          2HG       GLN  22  -0.333  11.173   2.798
  177   2HE2  GLN  22          2HE2      GLN  22   1.663  11.986   0.378
  178   1HE2  GLN  22          1HE2      GLN  22   1.740  13.670   0.577
  179    H    VAL  23           H        VAL  23   4.766  11.539   4.946
  180    HA   VAL  23           HA       VAL  23   5.208  13.690   3.258
  181    HB   VAL  23           HB       VAL  23   6.222  13.441   5.498
  182   1HG1  VAL  23          1HG1      VAL  23   6.932  10.942   4.709
  183   2HG1  VAL  23          2HG1      VAL  23   8.455  11.792   4.456
  184   3HG1  VAL  23          3HG1      VAL  23   7.698  11.791   6.050
  185   1HG2  VAL  23          1HG2      VAL  23   7.180  15.035   3.860
  186   2HG2  VAL  23          2HG2      VAL  23   8.411  14.384   4.941
  187   3HG2  VAL  23          3HG2      VAL  23   8.274  13.773   3.293
  188    H    LEU  24           H        LEU  24   6.242  10.381   2.948
  189    HA   LEU  24           HA       LEU  24   7.754  11.045   0.500
  190   1HB   LEU  24          1HB       LEU  24   8.674   8.788   0.674
  191   2HB   LEU  24          2HB       LEU  24   8.985   9.720   2.123
  192    HG   LEU  24           HG       LEU  24   6.876   8.525   3.065
  193   1HD1  LEU  24          1HD1      LEU  24   7.116   7.309   0.445
  194   2HD1  LEU  24          2HD1      LEU  24   7.285   6.085   1.703
  195   3HD1  LEU  24          3HD1      LEU  24   5.849   7.104   1.651
  196   1HD2  LEU  24          1HD2      LEU  24   9.478   8.151   3.428
  197   2HD2  LEU  24          2HD2      LEU  24   8.296   7.032   4.108
  198   3HD2  LEU  24          3HD2      LEU  24   9.137   6.624   2.612
  199    H    LEU  25           H        LEU  25   5.045   9.271   1.796
  200    HA   LEU  25           HA       LEU  25   4.438   7.591  -0.348
  201   1HB   LEU  25          1HB       LEU  25   3.328   7.992   2.048
  202   2HB   LEU  25          2HB       LEU  25   2.191   8.895   1.075
  203    HG   LEU  25           HG       LEU  25   1.621   6.920  -0.198
  204   1HD1  LEU  25          1HD1      LEU  25   4.005   5.794   1.238
  205   2HD1  LEU  25          2HD1      LEU  25   2.707   4.710   0.737
  206   3HD1  LEU  25          3HD1      LEU  25   3.568   5.667  -0.466
  207   1HD2  LEU  25          1HD2      LEU  25   1.627   6.786   2.794
  208   2HD2  LEU  25          2HD2      LEU  25   0.264   6.921   1.684
  209   3HD2  LEU  25          3HD2      LEU  25   1.078   5.371   1.896
  210    H    SER  26           H        SER  26   3.041   7.745  -2.091
  211    HA   SER  26           HA       SER  26   2.582  10.510  -3.046
  212   1HB   SER  26          1HB       SER  26   4.097   8.649  -4.285
  213   2HB   SER  26          2HB       SER  26   2.529   8.277  -4.996
  214    HG   SER  26           HG       SER  26   3.188   9.879  -6.256
  215    H    SER  27           H        SER  27   1.270   7.280  -3.825
  216    HA   SER  27           HA       SER  27  -1.431   8.163  -3.134
  217   1HB   SER  27          1HB       SER  27  -2.371   7.773  -5.310
  218   2HB   SER  27          2HB       SER  27  -1.030   8.894  -5.513
  219    HG   SER  27           HG       SER  27   0.262   7.020  -6.026
  220    H    TRP  28           H        TRP  28  -2.911   6.203  -4.218
  221    HA   TRP  28           HA       TRP  28  -1.658   3.611  -3.687
  222   1HB   TRP  28          1HB       TRP  28  -3.465   2.985  -2.084
  223   2HB   TRP  28          2HB       TRP  28  -2.423   4.263  -1.463
  224    HD1  TRP  28           HD1      TRP  28  -3.412   6.743  -1.381
  225    HE1  TRP  28           HE1      TRP  28  -5.835   7.626  -1.390
  226    HE3  TRP  28           HE3      TRP  28  -5.868   2.546  -2.945
  227    HZ2  TRP  28           HZ2      TRP  28  -8.468   6.664  -2.001
  228    HZ3  TRP  28           HZ3      TRP  28  -8.324   2.560  -3.236
  229    HH2  TRP  28           HH2      TRP  28  -9.629   4.612  -2.761
  230    H    TYR  29           H        TYR  29  -3.160   1.807  -4.222
  231    HA   TYR  29           HA       TYR  29  -5.479   2.545  -5.820
  232   1HB   TYR  29          1HB       TYR  29  -4.773   1.531  -7.867
  233   2HB   TYR  29          2HB       TYR  29  -3.500   2.643  -7.377
  234    HD1  TYR  29           HD1      TYR  29  -4.492  -0.933  -7.479
  235    HD2  TYR  29           HD2      TYR  29  -1.300   1.869  -6.857
  236    HE1  TYR  29           HE1      TYR  29  -2.851  -2.789  -7.547
  237    HE2  TYR  29           HE2      TYR  29   0.341   0.014  -6.923
  238    HH   TYR  29           HH       TYR  29  -0.339  -3.060  -6.475
  239    HA   PRO  30           HA       PRO  30  -6.706  -1.314  -3.994
  240   1HB   PRO  30          1HB       PRO  30  -9.164  -1.547  -5.165
  241   2HB   PRO  30          2HB       PRO  30  -8.807  -0.428  -3.841
  242   1HG   PRO  30          1HG       PRO  30  -9.252   0.138  -6.709
  243   2HG   PRO  30          2HG       PRO  30  -9.482   1.188  -5.303
  244   1HD   PRO  30          1HD       PRO  30  -7.287   1.231  -7.114
  245   2HD   PRO  30          2HD       PRO  30  -7.420   2.123  -5.580
  246    H    THR  31           H        THR  31  -6.455  -3.438  -4.455
  247    HA   THR  31           HA       THR  31  -6.059  -4.196  -7.268
  248    HB   THR  31           HB       THR  31  -4.229  -4.791  -5.804
  249    HG1  THR  31           HG1      THR  31  -4.186  -6.975  -6.221
  250   1HG2  THR  31          1HG2      THR  31  -6.461  -5.726  -4.068
  251   2HG2  THR  31          2HG2      THR  31  -4.957  -6.646  -4.015
  252   3HG2  THR  31          3HG2      THR  31  -4.952  -4.926  -3.627
  253    H    SER  32           H        SER  32  -6.666  -6.632  -7.621
  254    HA   SER  32           HA       SER  32  -9.472  -6.810  -7.645
  255   1HB   SER  32          1HB       SER  32  -9.180  -8.980  -8.564
  256   2HB   SER  32          2HB       SER  32  -7.815  -8.035  -9.143
  257    HG   SER  32           HG       SER  32  -6.743  -9.663  -8.311
  258    H    GLN  33           H        GLN  33 -10.938  -7.741  -6.319
  259    HA   GLN  33           HA       GLN  33  -9.965  -8.638  -3.690
  260   1HB   GLN  33          1HB       GLN  33 -12.479  -7.392  -4.687
  261   2HB   GLN  33          2HB       GLN  33 -12.610  -8.505  -3.324
  262   1HG   GLN  33          1HG       GLN  33 -11.441  -7.129  -1.908
  263   2HG   GLN  33          2HG       GLN  33 -10.415  -6.501  -3.196
  264   2HE2  GLN  33          2HE2      GLN  33 -12.712  -5.466  -1.089
  265   1HE2  GLN  33          1HE2      GLN  33 -13.439  -4.245  -2.017
  266    H    LEU  34           H        LEU  34  -9.861 -10.329  -6.095
  267    HA   LEU  34           HA       LEU  34 -11.959 -12.312  -5.725
  268   1HB   LEU  34          1HB       LEU  34  -9.514 -12.724  -7.398
  269   2HB   LEU  34          2HB       LEU  34 -11.124 -13.371  -7.622
  270    HG   LEU  34           HG       LEU  34 -10.600 -10.420  -7.912
  271   1HD1  LEU  34          1HD1      LEU  34  -9.045 -11.898  -9.347
  272   2HD1  LEU  34          2HD1      LEU  34 -10.510 -12.377 -10.204
  273   3HD1  LEU  34          3HD1      LEU  34 -10.013 -10.685 -10.185
  274   1HD2  LEU  34          1HD2      LEU  34 -12.926 -11.609  -7.792
  275   2HD2  LEU  34          2HD2      LEU  34 -12.644 -10.416  -9.060
  276   3HD2  LEU  34          3HD2      LEU  34 -12.547 -12.138  -9.432
  277    H    CYS  35           H        CYS  35  -8.605 -11.807  -4.864
  278    HA   CYS  35           HA       CYS  35  -7.879 -14.438  -4.184
  279   1HB   CYS  35          1HB       CYS  35  -6.953 -11.908  -2.800
  280   2HB   CYS  35          2HB       CYS  35  -6.108 -13.453  -2.857
  281    H    SER  36           H        SER  36  -7.149 -14.629  -1.626
  282    HA   SER  36           HA       SER  36  -9.692 -14.986  -0.268
  283   1HB   SER  36          1HB       SER  36  -8.146 -16.794  -0.030
  284   2HB   SER  36          2HB       SER  36  -6.848 -15.706   0.452
  285    HG   SER  36           HG       SER  36  -8.567 -16.939   2.003
  286    H    LYS  37           H        LYS  37  -6.870 -12.917  -0.067
  287    HA   LYS  37           HA       LYS  37  -8.304 -11.225   1.862
  288   1HB   LYS  37          1HB       LYS  37  -6.136 -10.890   3.119
  289   2HB   LYS  37          2HB       LYS  37  -6.878 -12.474   3.327
  290   1HG   LYS  37          1HG       LYS  37  -5.022 -12.297   1.036
  291   2HG   LYS  37          2HG       LYS  37  -4.258 -12.070   2.609
  292   1HD   LYS  37          1HD       LYS  37  -5.591 -14.174   3.329
  293   2HD   LYS  37          2HD       LYS  37  -5.802 -14.453   1.601
  294   1HE   LYS  37          1HE       LYS  37  -3.044 -13.820   2.520
  295   2HE   LYS  37          2HE       LYS  37  -3.683 -15.403   2.962
  296   1HZ   LYS  37          1HZ       LYS  37  -4.391 -15.457   0.484
  297   2HZ   LYS  37          2HZ       LYS  37  -3.183 -14.282   0.292
  298   3HZ   LYS  37          3HZ       LYS  37  -2.785 -15.814   0.908
  299    HA   PRO  38           HA       PRO  38  -6.331  -8.705  -1.429
  300   1HB   PRO  38          1HB       PRO  38  -8.517  -7.152  -1.952
  301   2HB   PRO  38          2HB       PRO  38  -8.227  -8.728  -2.706
  302   1HG   PRO  38          1HG       PRO  38 -10.178  -7.980  -0.614
  303   2HG   PRO  38          2HG       PRO  38 -10.229  -9.310  -1.780
  304   1HD   PRO  38          1HD       PRO  38  -9.518  -9.484   0.974
  305   2HD   PRO  38          2HD       PRO  38  -9.374 -10.769  -0.248
  306    H    GLY  39           H        GLY  39  -6.148  -6.262  -1.619
  307   1HA   GLY  39          1HA       GLY  39  -5.177  -5.071   0.656
  308   2HA   GLY  39          2HA       GLY  39  -6.880  -4.621   0.623
  309    H    VAL  40           H        VAL  40  -4.346  -3.045   0.251
  310    HA   VAL  40           HA       VAL  40  -4.704  -2.082  -2.509
  311    HB   VAL  40           HB       VAL  40  -4.655  -0.212  -0.130
  312   1HG1  VAL  40          1HG1      VAL  40  -3.906   0.320  -2.648
  313   2HG1  VAL  40          2HG1      VAL  40  -5.645   0.551  -2.817
  314   3HG1  VAL  40          3HG1      VAL  40  -4.740   1.496  -1.637
  315   1HG2  VAL  40          1HG2      VAL  40  -6.926  -1.386  -1.722
  316   2HG2  VAL  40          2HG2      VAL  40  -6.771  -1.238   0.029
  317   3HG2  VAL  40          3HG2      VAL  40  -7.078   0.194  -0.953
  318    H    ILE  41           H        ILE  41  -2.874  -1.342  -3.457
  319    HA   ILE  41           HA       ILE  41  -0.415  -1.562  -1.867
  320    HB   ILE  41           HB       ILE  41  -1.080  -1.981  -4.741
  321   1HG1  ILE  41          1HG1      ILE  41  -0.745  -3.816  -3.113
  322   2HG1  ILE  41          2HG1      ILE  41   0.427  -3.876  -4.426
  323   1HG2  ILE  41          1HG2      ILE  41   1.686  -1.093  -3.847
  324   2HG2  ILE  41          2HG2      ILE  41   1.296  -1.767  -5.430
  325   3HG2  ILE  41          3HG2      ILE  41   0.625  -0.209  -4.944
  326   1HD1  ILE  41          1HD1      ILE  41   1.605  -2.253  -2.449
  327   2HD1  ILE  41          2HD1      ILE  41   0.885  -3.609  -1.587
  328   3HD1  ILE  41          3HD1      ILE  41   2.053  -3.906  -2.870
  329    H    PHE  42           H        PHE  42   0.314   0.256  -1.052
  330    HA   PHE  42           HA       PHE  42  -0.432   2.830  -2.161
  331   1HB   PHE  42          1HB       PHE  42   0.848   1.843   0.313
  332   2HB   PHE  42          2HB       PHE  42   1.484   3.378  -0.270
  333    HD1  PHE  42           HD1      PHE  42  -1.557   1.600   0.867
  334    HD2  PHE  42           HD2      PHE  42   0.147   5.378  -0.258
  335    HE1  PHE  42           HE1      PHE  42  -3.547   2.768   1.776
  336    HE2  PHE  42           HE2      PHE  42  -1.844   6.545   0.645
  337    HZ   PHE  42           HZ       PHE  42  -3.688   5.240   1.670
  338    H    LEU  43           H        LEU  43   0.697   3.886  -3.653
  339    HA   LEU  43           HA       LEU  43   3.369   2.898  -4.378
  340   1HB   LEU  43          1HB       LEU  43   1.783   4.995  -5.832
  341   2HB   LEU  43          2HB       LEU  43   3.103   4.022  -6.442
  342    HG   LEU  43           HG       LEU  43   0.636   2.593  -5.570
  343   1HD1  LEU  43          1HD1      LEU  43   0.808   4.563  -7.806
  344   2HD1  LEU  43          2HD1      LEU  43  -0.016   3.038  -8.133
  345   3HD1  LEU  43          3HD1      LEU  43  -0.584   4.087  -6.834
  346   1HD2  LEU  43          1HD2      LEU  43   2.923   2.266  -7.449
  347   2HD2  LEU  43          2HD2      LEU  43   2.125   1.069  -6.432
  348   3HD2  LEU  43          3HD2      LEU  43   1.385   1.565  -7.952
  349    H    THR  44           H        THR  44   4.801   3.817  -2.949
  350    HA   THR  44           HA       THR  44   4.600   6.470  -1.960
  351    HB   THR  44           HB       THR  44   6.979   6.155  -1.311
  352    HG1  THR  44           HG1      THR  44   7.373   4.826  -3.293
  353   1HG2  THR  44          1HG2      THR  44   4.842   4.159  -0.763
  354   2HG2  THR  44          2HG2      THR  44   6.470   3.765  -0.209
  355   3HG2  THR  44          3HG2      THR  44   5.683   5.241   0.345
  356    H    LYS  45           H        LYS  45   6.300   8.169  -2.409
  357    HA   LYS  45           HA       LYS  45   6.145   9.001  -5.095
  358   1HB   LYS  45          1HB       LYS  45   7.765   9.885  -2.730
  359   2HB   LYS  45          2HB       LYS  45   8.123  10.542  -4.329
  360   1HG   LYS  45          1HG       LYS  45   6.116  11.662  -4.475
  361   2HG   LYS  45          2HG       LYS  45   5.261  10.469  -3.499
  362   1HD   LYS  45          1HD       LYS  45   5.403  11.969  -1.810
  363   2HD   LYS  45          2HD       LYS  45   7.103  11.513  -1.708
  364   1HE   LYS  45          1HE       LYS  45   7.242  13.303  -3.731
  365   2HE   LYS  45          2HE       LYS  45   5.866  13.963  -2.847
  366   1HZ   LYS  45          1HZ       LYS  45   8.461  13.257  -1.593
  367   2HZ   LYS  45          2HZ       LYS  45   8.046  14.824  -2.102
  368   3HZ   LYS  45          3HZ       LYS  45   7.162  14.068  -0.865
  369    H    ARG  46           H        ARG  46   8.976   7.821  -3.273
  370    HA   ARG  46           HA       ARG  46  10.104   6.851  -5.829
  371   1HB   ARG  46          1HB       ARG  46  11.161   8.981  -4.769
  372   2HB   ARG  46          2HB       ARG  46  11.851   7.844  -3.609
  373   1HG   ARG  46          1HG       ARG  46  12.526   6.500  -5.768
  374   2HG   ARG  46          2HG       ARG  46  12.337   8.063  -6.562
  375   1HD   ARG  46          1HD       ARG  46  14.065   7.585  -4.121
  376   2HD   ARG  46          2HD       ARG  46  14.674   7.638  -5.772
  377    HE   ARG  46           HE       ARG  46  13.219  10.000  -5.301
  378   1HH1  ARG  46          1HH1      ARG  46  16.151   8.421  -4.220
  379   2HH1  ARG  46          2HH1      ARG  46  16.954   9.910  -3.859
  380   1HH2  ARG  46          1HH2      ARG  46  14.304  11.918  -4.817
  381   2HH2  ARG  46          2HH2      ARG  46  15.919  11.873  -4.193
  382    H    GLY  47           H        GLY  47   8.957   5.901  -2.857
  383   1HA   GLY  47          1HA       GLY  47   9.360   4.128  -1.446
  384   2HA   GLY  47          2HA       GLY  47  10.982   4.014  -2.118
  385    H    ARG  48           H        ARG  48   8.025   2.528  -1.878
  386    HA   ARG  48           HA       ARG  48   8.092   1.135  -4.436
  387   1HB   ARG  48          1HB       ARG  48   9.250   0.012  -1.971
  388   2HB   ARG  48          2HB       ARG  48   8.096  -1.052  -2.768
  389   1HG   ARG  48          1HG       ARG  48   9.333  -0.755  -4.906
  390   2HG   ARG  48          2HG       ARG  48  10.514   0.245  -4.060
  391   1HD   ARG  48          1HD       ARG  48   9.905  -2.457  -2.940
  392   2HD   ARG  48          2HD       ARG  48  10.899  -2.371  -4.391
  393    HE   ARG  48           HE       ARG  48  11.958  -0.531  -2.581
  394   1HH1  ARG  48          1HH1      ARG  48  11.442  -3.988  -2.767
  395   2HH1  ARG  48          2HH1      ARG  48  12.801  -4.359  -1.762
  396   1HH2  ARG  48          1HH2      ARG  48  13.720  -1.059  -1.277
  397   2HH2  ARG  48          2HH2      ARG  48  14.081  -2.716  -0.925
  398    H    GLN  49           H        GLN  49   6.543  -1.007  -3.934
  399    HA   GLN  49           HA       GLN  49   3.958   0.178  -3.381
  400   1HB   GLN  49          1HB       GLN  49   4.920  -2.498  -4.355
  401   2HB   GLN  49          2HB       GLN  49   3.257  -2.299  -3.810
  402   1HG   GLN  49          1HG       GLN  49   3.162  -1.849  -6.133
  403   2HG   GLN  49          2HG       GLN  49   3.186  -0.252  -5.383
  404   2HE2  GLN  49          2HE2      GLN  49   4.212   0.725  -7.274
  405   1HE2  GLN  49          1HE2      GLN  49   5.842   0.424  -7.643
  406    H    VAL  50           H        VAL  50   2.517  -0.508  -1.742
  407    HA   VAL  50           HA       VAL  50   3.720  -2.096   0.450
  408    HB   VAL  50           HB       VAL  50   2.210   0.499   0.737
  409   1HG1  VAL  50          1HG1      VAL  50   3.140  -1.572   2.709
  410   2HG1  VAL  50          2HG1      VAL  50   3.098   0.125   3.190
  411   3HG1  VAL  50          3HG1      VAL  50   1.618  -0.683   2.669
  412   1HG2  VAL  50          1HG2      VAL  50   4.677   0.511  -0.018
  413   2HG2  VAL  50          2HG2      VAL  50   4.262   1.483   1.393
  414   3HG2  VAL  50          3HG2      VAL  50   5.040  -0.085   1.601
  415    H    CYS  51           H        CYS  51   2.463  -3.814   0.769
  416    HA   CYS  51           HA       CYS  51  -0.327  -3.840  -0.002
  417   1HB   CYS  51          1HB       CYS  51   1.198  -5.890   1.633
  418   2HB   CYS  51          2HB       CYS  51  -0.330  -6.134   0.792
  419    H    ALA  52           H        ALA  52  -1.465  -2.382   1.253
  420    HA   ALA  52           HA       ALA  52  -1.354  -2.819   4.184
  421   1HB   ALA  52          1HB       ALA  52  -0.727  -0.508   3.025
  422   2HB   ALA  52          2HB       ALA  52  -2.478  -0.301   3.056
  423   3HB   ALA  52          3HB       ALA  52  -1.594  -0.568   4.558
  424    H    ASP  53           H        ASP  53  -3.269  -2.854   5.346
  425    HA   ASP  53           HA       ASP  53  -5.637  -3.601   3.779
  426   1HB   ASP  53          1HB       ASP  53  -4.637  -4.170   6.511
  427   2HB   ASP  53          2HB       ASP  53  -6.382  -3.965   6.370
  428    H    LYS  54           H        LYS  54  -7.399  -2.346   3.627
  429    HA   LYS  54           HA       LYS  54  -7.354   0.369   4.368
  430   1HB   LYS  54          1HB       LYS  54  -9.802   0.331   3.828
  431   2HB   LYS  54          2HB       LYS  54  -8.786  -0.360   2.562
  432   1HG   LYS  54          1HG       LYS  54  -9.334  -2.597   3.209
  433   2HG   LYS  54          2HG       LYS  54 -10.084  -2.048   4.710
  434   1HD   LYS  54          1HD       LYS  54 -11.572  -0.640   2.973
  435   2HD   LYS  54          2HD       LYS  54 -11.152  -2.000   1.930
  436   1HE   LYS  54          1HE       LYS  54 -12.339  -3.513   3.188
  437   2HE   LYS  54          2HE       LYS  54 -12.033  -2.654   4.698
  438   1HZ   LYS  54          1HZ       LYS  54 -13.553  -0.883   3.803
  439   2HZ   LYS  54          2HZ       LYS  54 -13.994  -1.975   2.584
  440   3HZ   LYS  54          3HZ       LYS  54 -14.299  -2.354   4.212
  441    H    SER  55           H        SER  55  -8.478  -2.486   6.043
  442    HA   SER  55           HA       SER  55 -10.133  -1.302   7.976
  443   1HB   SER  55          1HB       SER  55  -8.669  -3.847   7.708
  444   2HB   SER  55          2HB       SER  55  -9.037  -3.363   9.360
  445    HG   SER  55           HG       SER  55 -10.938  -4.140   8.900
  446    H    LYS  56           H        LYS  56  -6.671  -1.315   7.631
  447    HA   LYS  56           HA       LYS  56  -5.839  -0.881  10.264
  448   1HB   LYS  56          1HB       LYS  56  -4.688   0.291   7.719
  449   2HB   LYS  56          2HB       LYS  56  -3.867   0.227   9.279
  450   1HG   LYS  56          1HG       LYS  56  -4.899  -2.219   7.818
  451   2HG   LYS  56          2HG       LYS  56  -3.234  -1.646   7.719
  452   1HD   LYS  56          1HD       LYS  56  -2.945  -3.063   9.492
  453   2HD   LYS  56          2HD       LYS  56  -3.545  -1.681  10.408
  454   1HE   LYS  56          1HE       LYS  56  -5.053  -3.226  11.176
  455   2HE   LYS  56          2HE       LYS  56  -5.900  -2.795   9.690
  456   1HZ   LYS  56          1HZ       LYS  56  -3.882  -4.955   9.771
  457   2HZ   LYS  56          2HZ       LYS  56  -5.513  -5.245  10.130
  458   3HZ   LYS  56          3HZ       LYS  56  -5.073  -4.666   8.594
  459    H    ASP  57           H        ASP  57  -4.647   1.423  10.673
  460    HA   ASP  57           HA       ASP  57  -6.849   3.394  10.620
  461   1HB   ASP  57          1HB       ASP  57  -4.713   2.758  12.608
  462   2HB   ASP  57          2HB       ASP  57  -5.288   4.422  12.497
  463    H    TRP  58           H        TRP  58  -3.314   3.088  10.325
  464    HA   TRP  58           HA       TRP  58  -2.937   5.801   9.527
  465   1HB   TRP  58          1HB       TRP  58  -0.672   5.094   8.863
  466   2HB   TRP  58          2HB       TRP  58  -1.084   4.542  10.482
  467    HD1  TRP  58           HD1      TRP  58  -1.507   1.942  10.837
  468    HE1  TRP  58           HE1      TRP  58  -0.792  -0.111   9.453
  469    HE3  TRP  58           HE3      TRP  58  -0.304   4.222   6.435
  470    HZ2  TRP  58           HZ2      TRP  58   0.168  -0.711   6.810
  471    HZ3  TRP  58           HZ3      TRP  58   0.509   2.896   4.507
  472    HH2  TRP  58           HH2      TRP  58   0.744   0.440   4.690
  473    H    VAL  59           H        VAL  59  -3.706   2.851   7.831
  474    HA   VAL  59           HA       VAL  59  -3.055   3.807   5.213
  475    HB   VAL  59           HB       VAL  59  -5.023   1.638   5.974
  476   1HG1  VAL  59          1HG1      VAL  59  -4.699   2.745   3.538
  477   2HG1  VAL  59          2HG1      VAL  59  -3.368   1.588   3.495
  478   3HG1  VAL  59          3HG1      VAL  59  -5.019   1.025   3.756
  479   1HG2  VAL  59          1HG2      VAL  59  -2.731   1.340   6.958
  480   2HG2  VAL  59          2HG2      VAL  59  -3.147   0.098   5.776
  481   3HG2  VAL  59          3HG2      VAL  59  -2.067   1.418   5.326
  482    H    LYS  60           H        LYS  60  -5.872   3.924   7.293
  483    HA   LYS  60           HA       LYS  60  -7.754   4.775   5.346
  484   1HB   LYS  60          1HB       LYS  60  -8.227   3.909   7.713
  485   2HB   LYS  60          2HB       LYS  60  -7.836   5.540   8.262
  486   1HG   LYS  60          1HG       LYS  60  -9.535   6.185   6.291
  487   2HG   LYS  60          2HG       LYS  60 -10.171   4.585   6.674
  488   1HD   LYS  60          1HD       LYS  60 -10.456   5.203   9.010
  489   2HD   LYS  60          2HD       LYS  60  -9.688   6.765   8.724
  490   1HE   LYS  60          1HE       LYS  60 -12.072   6.006   7.073
  491   2HE   LYS  60          2HE       LYS  60 -12.325   6.561   8.727
  492   1HZ   LYS  60          1HZ       LYS  60 -10.745   8.453   8.033
  493   2HZ   LYS  60          2HZ       LYS  60 -11.150   8.006   6.445
  494   3HZ   LYS  60          3HZ       LYS  60 -12.362   8.510   7.524
  495    H    LYS  61           H        LYS  61  -5.642   6.526   7.596
  496    HA   LYS  61           HA       LYS  61  -6.532   9.132   6.993
  497   1HB   LYS  61          1HB       LYS  61  -4.051   7.969   8.181
  498   2HB   LYS  61          2HB       LYS  61  -4.005   9.650   7.644
  499   1HG   LYS  61          1HG       LYS  61  -6.144  10.011   8.972
  500   2HG   LYS  61          2HG       LYS  61  -5.881   8.413   9.671
  501   1HD   LYS  61          1HD       LYS  61  -3.703   9.114  10.536
  502   2HD   LYS  61          2HD       LYS  61  -3.885  10.694   9.774
  503   1HE   LYS  61          1HE       LYS  61  -5.818  11.196  11.170
  504   2HE   LYS  61          2HE       LYS  61  -5.769   9.578  11.870
  505   1HZ   LYS  61          1HZ       LYS  61  -3.541  11.530  12.051
  506   2HZ   LYS  61          2HZ       LYS  61  -4.716  11.320  13.259
  507   3HZ   LYS  61          3HZ       LYS  61  -3.673  10.043  12.864
  508    H    LEU  62           H        LEU  62  -3.929   7.167   5.582
  509    HA   LEU  62           HA       LEU  62  -2.956   9.101   3.767
  510   1HB   LEU  62          1HB       LEU  62  -3.054   6.106   3.436
  511   2HB   LEU  62          2HB       LEU  62  -2.075   7.205   2.494
  512    HG   LEU  62           HG       LEU  62  -1.760   6.989   5.479
  513   1HD1  LEU  62          1HD1      LEU  62  -0.723   5.225   3.275
  514   2HD1  LEU  62          2HD1      LEU  62   0.235   5.478   4.733
  515   3HD1  LEU  62          3HD1      LEU  62  -1.371   4.765   4.848
  516   1HD2  LEU  62          1HD2      LEU  62  -0.316   8.211   3.171
  517   2HD2  LEU  62          2HD2      LEU  62  -0.498   8.806   4.822
  518   3HD2  LEU  62          3HD2      LEU  62   0.673   7.535   4.466
  519    H    MET  63           H        MET  63  -5.411   6.583   3.460
  520    HA   MET  63           HA       MET  63  -6.105   6.807   0.789
  521   1HB   MET  63          1HB       MET  63  -7.678   6.134   3.251
  522   2HB   MET  63          2HB       MET  63  -8.507   6.288   1.702
  523   1HG   MET  63          1HG       MET  63  -6.490   4.751   0.882
  524   2HG   MET  63          2HG       MET  63  -6.484   4.270   2.577
  525   1HE   MET  63          1HE       MET  63  -7.003   3.276  -0.341
  526   2HE   MET  63          2HE       MET  63  -7.512   1.744   0.378
  527   3HE   MET  63          3HE       MET  63  -8.600   2.622  -0.692
  528    H    GLN  64           H        GLN  64  -6.970   8.898   3.478
  529    HA   GLN  64           HA       GLN  64  -8.769  10.503   1.836
  530   1HB   GLN  64          1HB       GLN  64  -7.868  10.644   4.710
  531   2HB   GLN  64          2HB       GLN  64  -8.778  11.956   3.961
  532   1HG   GLN  64          1HG       GLN  64 -10.403  10.044   3.206
  533   2HG   GLN  64          2HG       GLN  64  -9.645   9.131   4.512
  534   2HE2  GLN  64          2HE2      GLN  64  -9.896   9.972   6.727
  535   1HE2  GLN  64          1HE2      GLN  64 -11.128  11.080   7.095
  536    H    GLN  65           H        GLN  65  -5.486  10.572   3.047
  537    HA   GLN  65           HA       GLN  65  -4.984  13.330   2.447
  538   1HB   GLN  65          1HB       GLN  65  -3.324  10.971   3.226
  539   2HB   GLN  65          2HB       GLN  65  -2.521  12.378   2.537
  540   1HG   GLN  65          1HG       GLN  65  -4.190  13.585   4.322
  541   2HG   GLN  65          2HG       GLN  65  -3.867  12.064   5.156
  542   2HE2  GLN  65          2HE2      GLN  65  -1.886  14.357   3.181
  543   1HE2  GLN  65          1HE2      GLN  65  -0.604  14.422   4.291
  544    H    LEU  66           H        LEU  66  -4.697  10.296   0.704
  545    HA   LEU  66           HA       LEU  66  -3.712  11.797  -1.654
  546   1HB   LEU  66          1HB       LEU  66  -3.429   8.833  -1.338
  547   2HB   LEU  66          2HB       LEU  66  -2.529   9.919  -2.375
  548    HG   LEU  66           HG       LEU  66  -2.290   9.920   0.639
  549   1HD1  LEU  66          1HD1      LEU  66  -1.562   7.809  -0.878
  550   2HD1  LEU  66          2HD1      LEU  66  -0.133   8.821  -1.091
  551   3HD1  LEU  66          3HD1      LEU  66  -0.636   8.334   0.529
  552   1HD2  LEU  66          1HD2      LEU  66  -1.036  11.376  -1.640
  553   2HD2  LEU  66          2HD2      LEU  66  -1.368  11.931   0.001
  554   3HD2  LEU  66          3HD2      LEU  66   0.029  10.901  -0.317
  555    HA   PRO  67           HA       PRO  67  -7.476  10.524  -3.568
  556   1HB   PRO  67          1HB       PRO  67  -6.774  10.699  -6.210
  557   2HB   PRO  67          2HB       PRO  67  -7.091  12.101  -5.177
  558   1HG   PRO  67          1HG       PRO  67  -4.505  11.040  -6.169
  559   2HG   PRO  67          2HG       PRO  67  -4.951  12.695  -5.728
  560   1HD   PRO  67          1HD       PRO  67  -3.454  10.897  -4.140
  561   2HD   PRO  67          2HD       PRO  67  -4.183  12.424  -3.590
  562    H    VAL  68           H        VAL  68  -5.370   9.204  -6.100
  563    HA   VAL  68           HA       VAL  68  -5.139   6.576  -5.251
  564    HB   VAL  68           HB       VAL  68  -7.829   7.082  -5.653
  565   1HG1  VAL  68          1HG1      VAL  68  -7.399   7.215  -8.149
  566   2HG1  VAL  68          2HG1      VAL  68  -6.969   5.505  -8.083
  567   3HG1  VAL  68          3HG1      VAL  68  -8.598   6.023  -7.647
  568   1HG2  VAL  68          1HG2      VAL  68  -6.372   5.087  -4.672
  569   2HG2  VAL  68          2HG2      VAL  68  -8.077   4.876  -5.070
  570   3HG2  VAL  68          3HG2      VAL  68  -6.835   4.325  -6.195
  571    H    THR  69           H        THR  69  -3.976   5.364  -6.713
  572    HA   THR  69           HA       THR  69  -2.396   5.137  -8.347
  573    HB   THR  69           HB       THR  69  -3.367   4.856 -10.501
  574    HG1  THR  69           HG1      THR  69  -4.883   6.129 -11.136
  575   1HG2  THR  69          1HG2      THR  69  -4.957   3.998  -8.132
  576   2HG2  THR  69          2HG2      THR  69  -5.591   3.657  -9.740
  577   3HG2  THR  69          3HG2      THR  69  -4.017   3.024  -9.261
  578    H    ALA  70           H        ALA  70  -0.922   6.782  -8.124
  579    HA   ALA  70           HA       ALA  70  -1.292   9.466  -8.884
  580   1HB   ALA  70          1HB       ALA  70   0.929   9.755  -8.388
  581   2HB   ALA  70          2HB       ALA  70   1.413   8.261  -9.189
  582   3HB   ALA  70          3HB       ALA  70   0.677   8.205  -7.588
  583    H    ARG  71           H        ARG  71  -0.383   6.620 -10.715
  584    HA   ARG  71           HA       ARG  71  -0.988   7.908 -13.205
  585   1HB   ARG  71          1HB       ARG  71   1.511   8.518 -12.443
  586   2HB   ARG  71          2HB       ARG  71   1.829   6.950 -13.187
  587   1HG   ARG  71          1HG       ARG  71   0.095   8.902 -14.654
  588   2HG   ARG  71          2HG       ARG  71   1.840   9.159 -14.651
  589   1HD   ARG  71          1HD       ARG  71   2.262   7.269 -15.886
  590   2HD   ARG  71          2HD       ARG  71   0.891   6.396 -15.211
  591    HE   ARG  71           HE       ARG  71   0.082   8.582 -16.902
  592   1HH1  ARG  71          1HH1      ARG  71   1.159   5.251 -16.876
  593   2HH1  ARG  71          2HH1      ARG  71   0.406   4.878 -18.389
  594   1HH2  ARG  71          1HH2      ARG  71  -0.884   8.054 -18.870
  595   2HH2  ARG  71          2HH2      ARG  71  -0.741   6.449 -19.509

  No H/Q in entry =         595
  Start of MODEL   35
    1    H1   LEU   1           H1       LEU   1  -4.182   6.295 -21.872
    2    H2   LEU   1           H2       LEU   1  -4.605   6.453 -23.508
    3    H3   LEU   1           H3       LEU   1  -4.996   5.030 -22.663
    4    HA   LEU   1           HA       LEU   1  -3.132   4.524 -24.003
    5   1HB   LEU   1          1HB       LEU   1  -1.030   5.889 -23.738
    6   2HB   LEU   1          2HB       LEU   1  -2.361   6.767 -24.492
    7    HG   LEU   1           HG       LEU   1  -2.210   6.912 -21.527
    8   1HD1  LEU   1          1HD1      LEU   1  -0.076   7.915 -23.371
    9   2HD1  LEU   1          2HD1      LEU   1  -0.565   8.945 -22.026
   10   3HD1  LEU   1          3HD1      LEU   1   0.061   7.326 -21.713
   11   1HD2  LEU   1          1HD2      LEU   1  -2.795   8.812 -23.813
   12   2HD2  LEU   1          2HD2      LEU   1  -3.938   8.148 -22.646
   13   3HD2  LEU   1          3HD2      LEU   1  -2.737   9.331 -22.128
   14    H    GLY   2           H        GLY   2  -3.804   2.998 -22.213
   15   1HA   GLY   2          1HA       GLY   2  -3.421   1.973 -20.113
   16   2HA   GLY   2          2HA       GLY   2  -2.054   3.054 -19.859
   17    H    ALA   3           H        ALA   3  -0.494   1.545 -19.440
   18    HA   ALA   3           HA       ALA   3   0.098  -0.384 -21.607
   19   1HB   ALA   3          1HB       ALA   3   1.783   1.369 -21.598
   20   2HB   ALA   3          2HB       ALA   3   2.495  -0.124 -20.984
   21   3HB   ALA   3          3HB       ALA   3   2.034   1.160 -19.865
   22    H    SER   4           H        SER   4   1.885  -1.990 -20.605
   23    HA   SER   4           HA       SER   4   0.974  -2.872 -17.943
   24   1HB   SER   4          1HB       SER   4  -0.196  -4.122 -19.861
   25   2HB   SER   4          2HB       SER   4   1.380  -4.832 -20.198
   26    HG   SER   4           HG       SER   4  -0.329  -5.169 -18.017
   27    H    TRP   5           H        TRP   5   2.411  -5.073 -17.561
   28    HA   TRP   5           HA       TRP   5   5.172  -4.660 -18.409
   29   1HB   TRP   5          1HB       TRP   5   4.933  -4.957 -15.463
   30   2HB   TRP   5          2HB       TRP   5   6.121  -4.072 -16.412
   31    HD1  TRP   5           HD1      TRP   5   5.932  -1.544 -16.236
   32    HE1  TRP   5           HE1      TRP   5   4.068   0.133 -15.629
   33    HE3  TRP   5           HE3      TRP   5   2.021  -4.767 -15.614
   34    HZ2  TRP   5           HZ2      TRP   5   1.282   0.108 -14.967
   35    HZ3  TRP   5           HZ3      TRP   5  -0.224  -3.916 -14.995
   36    HH2  TRP   5           HH2      TRP   5  -0.598  -1.486 -14.672
   37    H    HIS   6           H        HIS   6   3.502  -6.313 -15.749
   38    HA   HIS   6           HA       HIS   6   3.472  -8.876 -16.895
   39   1HB   HIS   6          1HB       HIS   6   6.023  -8.085 -15.638
   40   2HB   HIS   6          2HB       HIS   6   5.368  -9.612 -15.048
   41    HD1  HIS   6           HD1      HIS   6   7.432  -8.324 -17.670
   42    HD2  HIS   6           HD2      HIS   6   4.550 -11.329 -17.457
   43    HE1  HIS   6           HE1      HIS   6   7.811  -9.824 -19.676
   44    H    ARG   7           H        ARG   7   1.865  -9.806 -15.840
   45    HA   ARG   7           HA       ARG   7   0.412 -10.425 -14.170
   46   1HB   ARG   7          1HB       ARG   7   2.804  -9.847 -12.401
   47   2HB   ARG   7          2HB       ARG   7   1.347 -10.704 -11.898
   48   1HG   ARG   7          1HG       ARG   7   2.760 -11.676 -14.345
   49   2HG   ARG   7          2HG       ARG   7   3.489 -12.024 -12.777
   50   1HD   ARG   7          1HD       ARG   7   0.570 -12.564 -13.292
   51   2HD   ARG   7          2HD       ARG   7   1.803 -13.741 -13.732
   52    HE   ARG   7           HE       ARG   7   2.282 -13.019 -11.077
   53   1HH1  ARG   7          1HH1      ARG   7  -0.253 -14.555 -12.939
   54   2HH1  ARG   7          2HH1      ARG   7  -0.802 -15.517 -11.612
   55   1HH2  ARG   7          1HH2      ARG   7   1.534 -14.292  -9.372
   56   2HH2  ARG   7          2HH2      ARG   7   0.199 -15.371  -9.608
   57    HA   PRO   8           HA       PRO   8  -0.475  -6.036 -13.072
   58   1HB   PRO   8          1HB       PRO   8  -2.897  -5.887 -14.326
   59   2HB   PRO   8          2HB       PRO   8  -1.354  -5.562 -15.129
   60   1HG   PRO   8          1HG       PRO   8  -3.152  -7.893 -15.395
   61   2HG   PRO   8          2HG       PRO   8  -1.959  -7.254 -16.535
   62   1HD   PRO   8          1HD       PRO   8  -1.646  -9.513 -14.822
   63   2HD   PRO   8          2HD       PRO   8  -0.390  -8.750 -15.824
   64    H    ASP   9           H        ASP   9  -0.642  -7.507 -11.004
   65    HA   ASP   9           HA       ASP   9  -3.044  -6.876  -9.667
   66   1HB   ASP   9          1HB       ASP   9  -3.679  -8.891 -11.234
   67   2HB   ASP   9          2HB       ASP   9  -2.849  -9.847 -10.005
   68    H    LYS  10           H        LYS  10  -3.143  -7.917  -7.481
   69    HA   LYS  10           HA       LYS  10  -1.001  -9.402  -6.407
   70   1HB   LYS  10          1HB       LYS  10   0.249  -7.295  -6.940
   71   2HB   LYS  10          2HB       LYS  10  -0.803  -6.442  -5.810
   72   1HG   LYS  10          1HG       LYS  10  -0.095  -8.030  -4.017
   73   2HG   LYS  10          2HG       LYS  10   1.035  -8.765  -5.155
   74   1HD   LYS  10          1HD       LYS  10   1.902  -6.321  -5.486
   75   2HD   LYS  10          2HD       LYS  10   1.100  -6.011  -3.944
   76   1HE   LYS  10          1HE       LYS  10   2.447  -7.613  -2.805
   77   2HE   LYS  10          2HE       LYS  10   3.035  -8.303  -4.318
   78   1HZ   LYS  10          1HZ       LYS  10   4.128  -6.183  -4.792
   79   2HZ   LYS  10          2HZ       LYS  10   3.609  -5.575  -3.298
   80   3HZ   LYS  10          3HZ       LYS  10   4.698  -6.876  -3.350
   81    H    CYS  11           H        CYS  11  -2.592 -10.432  -5.280
   82    HA   CYS  11           HA       CYS  11  -4.656  -9.193  -3.811
   83   1HB   CYS  11          1HB       CYS  11  -3.367 -11.882  -3.303
   84   2HB   CYS  11          2HB       CYS  11  -4.952 -11.359  -2.741
   85    H    CYS  12           H        CYS  12  -1.300  -9.776  -3.073
   86    HA   CYS  12           HA       CYS  12   0.001  -9.222  -1.265
   87   1HB   CYS  12          1HB       CYS  12  -2.382  -7.443  -0.739
   88   2HB   CYS  12          2HB       CYS  12  -0.976  -7.473   0.322
   89    H    LEU  13           H        LEU  13  -0.131 -11.389  -0.502
   90    HA   LEU  13           HA       LEU  13  -2.147 -12.415   1.168
   91   1HB   LEU  13          1HB       LEU  13   0.796 -13.073   1.227
   92   2HB   LEU  13          2HB       LEU  13  -0.491 -14.049   1.899
   93    HG   LEU  13           HG       LEU  13  -0.405 -13.390  -1.040
   94   1HD1  LEU  13          1HD1      LEU  13   0.966 -15.665   0.425
   95   2HD1  LEU  13          2HD1      LEU  13   0.727 -15.607  -1.321
   96   3HD1  LEU  13          3HD1      LEU  13   1.748 -14.406  -0.531
   97   1HD2  LEU  13          1HD2      LEU  13  -2.447 -14.381   0.175
   98   2HD2  LEU  13          2HD2      LEU  13  -1.863 -15.262  -1.236
   99   3HD2  LEU  13          3HD2      LEU  13  -1.472 -15.835   0.386
  100    H    GLY  14           H        GLY  14   0.644 -10.407   1.832
  101   1HA   GLY  14          1HA       GLY  14   1.507 -10.093   4.125
  102   2HA   GLY  14          2HA       GLY  14  -0.156 -10.281   4.682
  103    H    TYR  15           H        TYR  15   1.426  -8.043   5.309
  104    HA   TYR  15           HA       TYR  15   0.679  -5.873   3.525
  105   1HB   TYR  15          1HB       TYR  15  -0.537  -6.130   6.286
  106   2HB   TYR  15          2HB       TYR  15  -0.565  -4.655   5.320
  107    HD1  TYR  15           HD1      TYR  15  -1.805  -4.572   3.186
  108    HD2  TYR  15           HD2      TYR  15  -1.931  -8.028   5.723
  109    HE1  TYR  15           HE1      TYR  15  -3.781  -5.399   1.947
  110    HE2  TYR  15           HE2      TYR  15  -3.912  -8.863   4.485
  111    HH   TYR  15           HH       TYR  15  -4.767  -8.050   1.628
  112    H    GLN  16           H        GLN  16   1.247  -3.705   4.684
  113    HA   GLN  16           HA       GLN  16   3.980  -3.605   5.156
  114   1HB   GLN  16          1HB       GLN  16   2.574  -1.611   4.665
  115   2HB   GLN  16          2HB       GLN  16   1.924  -1.695   6.297
  116   1HG   GLN  16          1HG       GLN  16   3.740  -0.055   6.214
  117   2HG   GLN  16          2HG       GLN  16   4.229  -1.431   7.199
  118   2HE2  GLN  16          2HE2      GLN  16   5.734  -3.018   6.183
  119   1HE2  GLN  16          1HE2      GLN  16   6.722  -2.532   4.891
  120    H    LYS  17           H        LYS  17   1.373  -3.614   7.556
  121    HA   LYS  17           HA       LYS  17   1.305  -4.573   9.668
  122   1HB   LYS  17          1HB       LYS  17   3.342  -6.005   8.878
  123   2HB   LYS  17          2HB       LYS  17   4.289  -4.847   9.815
  124   1HG   LYS  17          1HG       LYS  17   3.197  -5.410  11.835
  125   2HG   LYS  17          2HG       LYS  17   1.862  -6.200  10.993
  126   1HD   LYS  17          1HD       LYS  17   3.221  -8.057  10.368
  127   2HD   LYS  17          2HD       LYS  17   4.706  -7.212  10.809
  128   1HE   LYS  17          1HE       LYS  17   4.051  -8.880  12.527
  129   2HE   LYS  17          2HE       LYS  17   4.046  -7.238  13.173
  130   1HZ   LYS  17          1HZ       LYS  17   1.622  -8.554  12.091
  131   2HZ   LYS  17          2HZ       LYS  17   2.055  -8.629  13.729
  132   3HZ   LYS  17          3HZ       LYS  17   1.711  -7.128  13.011
  133    H    ARG  18           H        ARG  18   3.966  -2.338   8.953
  134    HA   ARG  18           HA       ARG  18   3.422  -0.979  11.514
  135   1HB   ARG  18          1HB       ARG  18   5.875  -1.301   9.844
  136   2HB   ARG  18          2HB       ARG  18   5.683   0.198  10.753
  137   1HG   ARG  18          1HG       ARG  18   5.130  -1.320  12.771
  138   2HG   ARG  18          2HG       ARG  18   5.822  -2.625  11.806
  139   1HD   ARG  18          1HD       ARG  18   7.940  -1.498  11.658
  140   2HD   ARG  18          2HD       ARG  18   7.271  -0.028  12.357
  141    HE   ARG  18           HE       ARG  18   6.957  -2.206  14.162
  142   1HH1  ARG  18          1HH1      ARG  18   9.376  -0.041  12.854
  143   2HH1  ARG  18          2HH1      ARG  18  10.389  -0.146  14.252
  144   1HH2  ARG  18          1HH2      ARG  18   8.307  -2.314  15.965
  145   2HH2  ARG  18          2HH2      ARG  18   9.790  -1.420  15.999
  146    HA   PRO  19           HA       PRO  19   1.910   2.435   9.146
  147   1HB   PRO  19          1HB       PRO  19   2.166   4.438  10.985
  148   2HB   PRO  19          2HB       PRO  19   0.941   3.163  11.079
  149   1HG   PRO  19          1HG       PRO  19   3.360   3.549  12.715
  150   2HG   PRO  19          2HG       PRO  19   1.889   2.636  13.078
  151   1HD   PRO  19          1HD       PRO  19   4.415   1.589  12.205
  152   2HD   PRO  19          2HD       PRO  19   2.904   0.688  12.479
  153    H    LEU  20           H        LEU  20   2.708   3.725   7.596
  154    HA   LEU  20           HA       LEU  20   5.439   4.814   7.938
  155   1HB   LEU  20          1HB       LEU  20   4.308   4.787   5.220
  156   2HB   LEU  20          2HB       LEU  20   5.913   4.368   5.774
  157    HG   LEU  20           HG       LEU  20   3.463   2.594   5.776
  158   1HD1  LEU  20          1HD1      LEU  20   5.067   3.143   3.697
  159   2HD1  LEU  20          2HD1      LEU  20   6.057   1.907   4.472
  160   3HD1  LEU  20          3HD1      LEU  20   4.410   1.528   3.967
  161   1HD2  LEU  20          1HD2      LEU  20   6.096   2.403   7.167
  162   2HD2  LEU  20          2HD2      LEU  20   4.522   1.780   7.655
  163   3HD2  LEU  20          3HD2      LEU  20   5.463   0.932   6.429
  164    HA   PRO  21           HA       PRO  21   3.659   8.847   7.535
  165   1HB   PRO  21          1HB       PRO  21   5.817  10.265   6.630
  166   2HB   PRO  21          2HB       PRO  21   5.660   9.666   8.291
  167   1HG   PRO  21          1HG       PRO  21   7.390   8.683   6.104
  168   2HG   PRO  21          2HG       PRO  21   7.598   8.544   7.855
  169   1HD   PRO  21          1HD       PRO  21   6.659   6.518   6.083
  170   2HD   PRO  21          2HD       PRO  21   6.677   6.455   7.861
  171    H    GLN  22           H        GLN  22   2.506  10.005   6.054
  172    HA   GLN  22           HA       GLN  22   2.472   9.169   3.316
  173   1HB   GLN  22          1HB       GLN  22   0.477  10.009   4.608
  174   2HB   GLN  22          2HB       GLN  22   1.162  11.629   4.485
  175   1HG   GLN  22          1HG       GLN  22   1.031  10.129   1.934
  176   2HG   GLN  22          2HG       GLN  22  -0.531  10.550   2.634
  177   2HE2  GLN  22          2HE2      GLN  22   1.346  11.704   0.330
  178   1HE2  GLN  22          1HE2      GLN  22   1.236  13.377   0.597
  179    H    VAL  23           H        VAL  23   4.502  11.312   4.966
  180    HA   VAL  23           HA       VAL  23   4.825  13.476   3.284
  181    HB   VAL  23           HB       VAL  23   5.927  13.226   5.482
  182   1HG1  VAL  23          1HG1      VAL  23   6.601  10.777   4.907
  183   2HG1  VAL  23          2HG1      VAL  23   8.012  11.513   4.149
  184   3HG1  VAL  23          3HG1      VAL  23   7.710  11.751   5.869
  185   1HG2  VAL  23          1HG2      VAL  23   6.803  14.680   3.461
  186   2HG2  VAL  23          2HG2      VAL  23   7.768  14.526   4.930
  187   3HG2  VAL  23          3HG2      VAL  23   8.159  13.553   3.512
  188    H    LEU  24           H        LEU  24   6.303  10.276   3.032
  189    HA   LEU  24           HA       LEU  24   7.611  11.024   0.528
  190   1HB   LEU  24          1HB       LEU  24   9.039   9.327   0.906
  191   2HB   LEU  24          2HB       LEU  24   8.440   9.429   2.542
  192    HG   LEU  24           HG       LEU  24   7.456   7.472   0.444
  193   1HD1  LEU  24          1HD1      LEU  24   9.830   7.175   1.287
  194   2HD1  LEU  24          2HD1      LEU  24   9.141   6.921   2.890
  195   3HD1  LEU  24          3HD1      LEU  24   8.749   5.812   1.577
  196   1HD2  LEU  24          1HD2      LEU  24   6.379   8.320   2.989
  197   2HD2  LEU  24          2HD2      LEU  24   5.720   7.152   1.848
  198   3HD2  LEU  24          3HD2      LEU  24   6.856   6.628   3.088
  199    H    LEU  25           H        LEU  25   4.926   9.152   1.728
  200    HA   LEU  25           HA       LEU  25   4.388   7.538  -0.470
  201   1HB   LEU  25          1HB       LEU  25   3.221   7.844   1.911
  202   2HB   LEU  25          2HB       LEU  25   2.079   8.741   0.936
  203    HG   LEU  25           HG       LEU  25   1.613   6.784  -0.415
  204   1HD1  LEU  25          1HD1      LEU  25   4.052   5.777   0.962
  205   2HD1  LEU  25          2HD1      LEU  25   2.773   4.600   0.664
  206   3HD1  LEU  25          3HD1      LEU  25   3.488   5.485  -0.683
  207   1HD2  LEU  25          1HD2      LEU  25   1.468   6.656   2.557
  208   2HD2  LEU  25          2HD2      LEU  25   0.168   6.624   1.366
  209   3HD2  LEU  25          3HD2      LEU  25   1.109   5.166   1.683
  210    H    SER  26           H        SER  26   3.046   7.697  -2.235
  211    HA   SER  26           HA       SER  26   2.530  10.467  -3.146
  212   1HB   SER  26          1HB       SER  26   4.141   8.728  -4.387
  213   2HB   SER  26          2HB       SER  26   2.611   8.223  -5.099
  214    HG   SER  26           HG       SER  26   4.039  10.194  -5.890
  215    H    SER  27           H        SER  27   1.326   7.200  -3.962
  216    HA   SER  27           HA       SER  27  -1.415   8.039  -3.371
  217   1HB   SER  27          1HB       SER  27  -2.276   7.635  -5.557
  218   2HB   SER  27          2HB       SER  27  -0.884   8.690  -5.776
  219    HG   SER  27           HG       SER  27  -1.159   5.934  -6.286
  220    H    TRP  28           H        TRP  28  -2.738   5.936  -4.621
  221    HA   TRP  28           HA       TRP  28  -1.447   3.433  -3.850
  222   1HB   TRP  28          1HB       TRP  28  -3.394   2.799  -2.386
  223   2HB   TRP  28          2HB       TRP  28  -2.371   4.068  -1.711
  224    HD1  TRP  28           HD1      TRP  28  -3.298   6.584  -1.816
  225    HE1  TRP  28           HE1      TRP  28  -5.704   7.504  -1.919
  226    HE3  TRP  28           HE3      TRP  28  -5.802   2.363  -3.258
  227    HZ2  TRP  28           HZ2      TRP  28  -8.337   6.571  -2.541
  228    HZ3  TRP  28           HZ3      TRP  28  -8.251   2.414  -3.603
  229    HH2  TRP  28           HH2      TRP  28  -9.522   4.511  -3.243
  230    H    TYR  29           H        TYR  29  -2.471   1.596  -4.717
  231    HA   TYR  29           HA       TYR  29  -4.744   2.172  -6.514
  232   1HB   TYR  29          1HB       TYR  29  -3.828   0.912  -8.289
  233   2HB   TYR  29          2HB       TYR  29  -2.498   1.906  -7.715
  234    HD1  TYR  29           HD1      TYR  29  -3.960  -1.511  -7.617
  235    HD2  TYR  29           HD2      TYR  29  -0.505   0.913  -6.817
  236    HE1  TYR  29           HE1      TYR  29  -2.603  -3.557  -7.280
  237    HE2  TYR  29           HE2      TYR  29   0.850  -1.136  -6.478
  238    HH   TYR  29           HH       TYR  29   0.712  -3.582  -7.274
  239    HA   PRO  30           HA       PRO  30  -6.488  -1.303  -4.378
  240   1HB   PRO  30          1HB       PRO  30  -8.699  -1.680  -5.939
  241   2HB   PRO  30          2HB       PRO  30  -8.529  -0.353  -4.780
  242   1HG   PRO  30          1HG       PRO  30  -8.414  -0.291  -7.734
  243   2HG   PRO  30          2HG       PRO  30  -8.830   0.997  -6.594
  244   1HD   PRO  30          1HD       PRO  30  -6.344   0.654  -7.941
  245   2HD   PRO  30          2HD       PRO  30  -6.703   1.816  -6.643
  246    H    THR  31           H        THR  31  -6.607  -3.544  -4.487
  247    HA   THR  31           HA       THR  31  -5.485  -4.761  -6.917
  248    HB   THR  31           HB       THR  31  -4.321  -5.291  -4.845
  249    HG1  THR  31           HG1      THR  31  -4.472  -6.957  -6.346
  250   1HG2  THR  31          1HG2      THR  31  -7.083  -5.666  -3.882
  251   2HG2  THR  31          2HG2      THR  31  -5.943  -6.899  -3.342
  252   3HG2  THR  31          3HG2      THR  31  -5.632  -5.199  -2.996
  253    H    SER  32           H        SER  32  -6.322  -7.199  -7.062
  254    HA   SER  32           HA       SER  32  -8.949  -7.078  -8.063
  255   1HB   SER  32          1HB       SER  32  -6.900  -8.894  -8.223
  256   2HB   SER  32          2HB       SER  32  -8.062  -9.754  -7.216
  257    HG   SER  32           HG       SER  32  -8.416  -8.649  -9.801
  258    H    GLN  33           H        GLN  33 -10.913  -7.508  -7.217
  259    HA   GLN  33           HA       GLN  33 -11.065  -7.829  -4.308
  260   1HB   GLN  33          1HB       GLN  33 -12.894  -6.804  -6.429
  261   2HB   GLN  33          2HB       GLN  33 -13.623  -7.501  -4.982
  262   1HG   GLN  33          1HG       GLN  33 -11.814  -5.985  -3.759
  263   2HG   GLN  33          2HG       GLN  33 -11.919  -5.058  -5.255
  264   2HE2  GLN  33          2HE2      GLN  33 -13.497  -5.707  -2.252
  265   1HE2  GLN  33          1HE2      GLN  33 -14.919  -4.834  -2.564
  266    H    LEU  34           H        LEU  34 -10.188 -10.133  -5.448
  267    HA   LEU  34           HA       LEU  34 -12.389 -11.943  -4.844
  268   1HB   LEU  34          1HB       LEU  34 -11.736 -13.347  -6.890
  269   2HB   LEU  34          2HB       LEU  34 -12.801 -11.982  -7.118
  270    HG   LEU  34           HG       LEU  34 -11.033 -12.290  -8.884
  271   1HD1  LEU  34          1HD1      LEU  34 -12.127 -10.013  -7.876
  272   2HD1  LEU  34          2HD1      LEU  34 -10.410  -9.656  -7.690
  273   3HD1  LEU  34          3HD1      LEU  34 -11.061 -10.050  -9.280
  274   1HD2  LEU  34          1HD2      LEU  34  -9.206 -11.378  -6.638
  275   2HD2  LEU  34          2HD2      LEU  34  -9.189 -12.970  -7.394
  276   3HD2  LEU  34          3HD2      LEU  34  -8.743 -11.544  -8.332
  277    H    CYS  35           H        CYS  35  -9.904 -11.195  -3.566
  278    HA   CYS  35           HA       CYS  35  -8.407 -13.742  -3.750
  279   1HB   CYS  35          1HB       CYS  35  -7.446 -11.122  -2.576
  280   2HB   CYS  35          2HB       CYS  35  -6.489 -12.580  -2.839
  281    H    SER  36           H        SER  36  -7.495 -14.520  -1.681
  282    HA   SER  36           HA       SER  36  -9.533 -14.707   0.312
  283   1HB   SER  36          1HB       SER  36  -7.927 -16.069   1.548
  284   2HB   SER  36          2HB       SER  36  -7.926 -16.540  -0.150
  285    HG   SER  36           HG       SER  36  -6.028 -15.479  -0.441
  286    H    LYS  37           H        LYS  37  -6.595 -12.834  -0.059
  287    HA   LYS  37           HA       LYS  37  -7.300 -11.333   2.389
  288   1HB   LYS  37          1HB       LYS  37  -5.294 -12.868   2.691
  289   2HB   LYS  37          2HB       LYS  37  -4.461 -11.869   1.501
  290   1HG   LYS  37          1HG       LYS  37  -3.847 -10.591   3.269
  291   2HG   LYS  37          2HG       LYS  37  -5.497  -9.972   3.213
  292   1HD   LYS  37          1HD       LYS  37  -6.122 -11.104   5.091
  293   2HD   LYS  37          2HD       LYS  37  -5.188 -12.536   4.657
  294   1HE   LYS  37          1HE       LYS  37  -3.117 -11.010   5.183
  295   2HE   LYS  37          2HE       LYS  37  -4.287 -10.057   6.096
  296   1HZ   LYS  37          1HZ       LYS  37  -4.948 -12.325   7.080
  297   2HZ   LYS  37          2HZ       LYS  37  -3.428 -12.842   6.524
  298   3HZ   LYS  37          3HZ       LYS  37  -3.539 -11.570   7.645
  299    HA   PRO  38           HA       PRO  38  -6.751  -8.504  -1.240
  300   1HB   PRO  38          1HB       PRO  38  -9.203  -7.310  -1.117
  301   2HB   PRO  38          2HB       PRO  38  -8.877  -8.798  -2.017
  302   1HG   PRO  38          1HG       PRO  38 -10.335  -8.429   0.528
  303   2HG   PRO  38          2HG       PRO  38 -10.473  -9.720  -0.674
  304   1HD   PRO  38          1HD       PRO  38  -9.082  -9.845   1.809
  305   2HD   PRO  38          2HD       PRO  38  -9.055 -11.059   0.509
  306    H    GLY  39           H        GLY  39  -6.645  -6.169  -1.315
  307   1HA   GLY  39          1HA       GLY  39  -5.607  -4.942   0.974
  308   2HA   GLY  39          2HA       GLY  39  -7.299  -4.463   0.848
  309    H    VAL  40           H        VAL  40  -4.511  -3.154   0.364
  310    HA   VAL  40           HA       VAL  40  -4.724  -2.330  -2.420
  311    HB   VAL  40           HB       VAL  40  -5.031  -0.267  -0.222
  312   1HG1  VAL  40          1HG1      VAL  40  -3.912   0.104  -2.650
  313   2HG1  VAL  40          2HG1      VAL  40  -5.610   0.316  -3.071
  314   3HG1  VAL  40          3HG1      VAL  40  -4.872   1.334  -1.835
  315   1HG2  VAL  40          1HG2      VAL  40  -7.022  -1.455  -2.165
  316   2HG2  VAL  40          2HG2      VAL  40  -7.103  -1.482  -0.403
  317   3HG2  VAL  40          3HG2      VAL  40  -7.306   0.039  -1.272
  318    H    ILE  41           H        ILE  41  -2.822  -1.678  -3.230
  319    HA   ILE  41           HA       ILE  41  -0.512  -1.712  -1.422
  320    HB   ILE  41           HB       ILE  41  -0.780  -1.920  -4.428
  321   1HG1  ILE  41          1HG1      ILE  41   0.449  -4.121  -3.823
  322   2HG1  ILE  41          2HG1      ILE  41  -0.059  -3.775  -2.171
  323   1HG2  ILE  41          1HG2      ILE  41   1.625  -1.393  -2.722
  324   2HG2  ILE  41          2HG2      ILE  41   1.798  -2.506  -4.078
  325   3HG2  ILE  41          3HG2      ILE  41   1.275  -0.844  -4.363
  326   1HD1  ILE  41          1HD1      ILE  41  -2.125  -3.572  -4.315
  327   2HD1  ILE  41          2HD1      ILE  41  -1.600  -5.187  -3.838
  328   3HD1  ILE  41          3HD1      ILE  41  -2.294  -4.096  -2.639
  329    H    PHE  42           H        PHE  42   0.905   0.006  -1.250
  330    HA   PHE  42           HA       PHE  42  -0.144   2.588  -2.227
  331   1HB   PHE  42          1HB       PHE  42   1.418   1.763   0.189
  332   2HB   PHE  42          2HB       PHE  42   1.617   3.400  -0.435
  333    HD1  PHE  42           HD1      PHE  42  -0.785   0.976   0.984
  334    HD2  PHE  42           HD2      PHE  42  -0.173   5.018  -0.330
  335    HE1  PHE  42           HE1      PHE  42  -2.914   1.649   2.062
  336    HE2  PHE  42           HE2      PHE  42  -2.301   5.692   0.749
  337    HZ   PHE  42           HZ       PHE  42  -3.668   4.008   1.950
  338    H    LEU  43           H        LEU  43   0.964   3.720  -3.681
  339    HA   LEU  43           HA       LEU  43   3.671   2.801  -4.409
  340   1HB   LEU  43          1HB       LEU  43   1.438   4.093  -5.871
  341   2HB   LEU  43          2HB       LEU  43   3.053   4.590  -6.330
  342    HG   LEU  43           HG       LEU  43   3.634   2.294  -6.897
  343   1HD1  LEU  43          1HD1      LEU  43   0.919   1.744  -5.710
  344   2HD1  LEU  43          2HD1      LEU  43   1.635   0.638  -6.882
  345   3HD1  LEU  43          3HD1      LEU  43   2.455   0.958  -5.353
  346   1HD2  LEU  43          1HD2      LEU  43   2.455   3.726  -8.573
  347   2HD2  LEU  43          2HD2      LEU  43   2.130   2.008  -8.804
  348   3HD2  LEU  43          3HD2      LEU  43   0.922   3.040  -8.038
  349    H    THR  44           H        THR  44   5.017   3.848  -2.986
  350    HA   THR  44           HA       THR  44   4.644   6.507  -2.093
  351    HB   THR  44           HB       THR  44   6.959   6.375  -1.315
  352    HG1  THR  44           HG1      THR  44   7.011   4.012  -2.880
  353   1HG2  THR  44          1HG2      THR  44   5.005   4.201  -0.897
  354   2HG2  THR  44          2HG2      THR  44   6.656   3.815  -0.415
  355   3HG2  THR  44          3HG2      THR  44   5.838   5.211   0.284
  356    H    LYS  45           H        LYS  45   6.247   8.285  -2.540
  357    HA   LYS  45           HA       LYS  45   6.096   9.088  -5.224
  358   1HB   LYS  45          1HB       LYS  45   7.795  10.033  -2.919
  359   2HB   LYS  45          2HB       LYS  45   7.896  10.775  -4.517
  360   1HG   LYS  45          1HG       LYS  45   5.766  11.664  -4.395
  361   2HG   LYS  45          2HG       LYS  45   5.181  10.388  -3.327
  362   1HD   LYS  45          1HD       LYS  45   5.353  12.029  -1.741
  363   2HD   LYS  45          2HD       LYS  45   7.040  11.516  -1.713
  364   1HE   LYS  45          1HE       LYS  45   7.236  13.832  -2.001
  365   2HE   LYS  45          2HE       LYS  45   7.329  13.242  -3.660
  366   1HZ   LYS  45          1HZ       LYS  45   4.749  13.989  -2.428
  367   2HZ   LYS  45          2HZ       LYS  45   5.740  15.149  -3.178
  368   3HZ   LYS  45          3HZ       LYS  45   5.134  13.844  -4.077
  369    H    ARG  46           H        ARG  46   8.969   8.024  -3.392
  370    HA   ARG  46           HA       ARG  46  10.138   7.091  -5.943
  371   1HB   ARG  46          1HB       ARG  46  11.078   9.295  -4.930
  372   2HB   ARG  46          2HB       ARG  46  11.839   8.221  -3.754
  373   1HG   ARG  46          1HG       ARG  46  12.860   6.935  -5.610
  374   2HG   ARG  46          2HG       ARG  46  12.135   8.051  -6.766
  375   1HD   ARG  46          1HD       ARG  46  13.364   9.923  -5.698
  376   2HD   ARG  46          2HD       ARG  46  14.123   8.779  -4.597
  377    HE   ARG  46           HE       ARG  46  15.545   8.140  -6.319
  378   1HH1  ARG  46          1HH1      ARG  46  12.848   9.946  -7.629
  379   2HH1  ARG  46          2HH1      ARG  46  13.533  10.036  -9.215
  380   1HH2  ARG  46          1HH2      ARG  46  16.401   8.280  -8.401
  381   2HH2  ARG  46          2HH2      ARG  46  15.526   9.102  -9.650
  382    H    GLY  47           H        GLY  47   9.045   6.103  -2.979
  383   1HA   GLY  47          1HA       GLY  47   9.580   4.390  -1.526
  384   2HA   GLY  47          2HA       GLY  47  11.197   4.357  -2.218
  385    H    ARG  48           H        ARG  48   8.293   2.733  -1.952
  386    HA   ARG  48           HA       ARG  48   8.458   1.305  -4.488
  387   1HB   ARG  48          1HB       ARG  48   9.607   0.264  -1.982
  388   2HB   ARG  48          2HB       ARG  48   8.512  -0.854  -2.790
  389   1HG   ARG  48          1HG       ARG  48  10.488   0.565  -4.509
  390   2HG   ARG  48          2HG       ARG  48  11.118  -0.682  -3.433
  391   1HD   ARG  48          1HD       ARG  48   9.203  -2.159  -4.338
  392   2HD   ARG  48          2HD       ARG  48   9.059  -0.961  -5.619
  393    HE   ARG  48           HE       ARG  48  11.129  -2.939  -5.350
  394   1HH1  ARG  48          1HH1      ARG  48  10.419   0.275  -6.541
  395   2HH1  ARG  48          2HH1      ARG  48  11.677   0.235  -7.727
  396   1HH2  ARG  48          1HH2      ARG  48  12.757  -2.948  -6.909
  397   2HH2  ARG  48          2HH2      ARG  48  12.990  -1.573  -7.935
  398    H    GLN  49           H        GLN  49   6.984  -0.870  -4.018
  399    HA   GLN  49           HA       GLN  49   4.354   0.230  -3.441
  400   1HB   GLN  49          1HB       GLN  49   5.405  -2.286  -4.666
  401   2HB   GLN  49          2HB       GLN  49   3.779  -2.299  -3.987
  402   1HG   GLN  49          1HG       GLN  49   2.944  -0.952  -5.622
  403   2HG   GLN  49          2HG       GLN  49   4.392   0.054  -5.669
  404   2HE2  GLN  49          2HE2      GLN  49   2.736  -2.558  -7.227
  405   1HE2  GLN  49          1HE2      GLN  49   3.951  -2.936  -8.351
  406    H    VAL  50           H        VAL  50   3.028  -0.374  -1.750
  407    HA   VAL  50           HA       VAL  50   4.078  -2.330   0.190
  408    HB   VAL  50           HB       VAL  50   3.060   0.418   0.952
  409   1HG1  VAL  50          1HG1      VAL  50   2.616  -1.517   2.543
  410   2HG1  VAL  50          2HG1      VAL  50   4.366  -1.698   2.683
  411   3HG1  VAL  50          3HG1      VAL  50   3.587  -0.206   3.212
  412   1HG2  VAL  50          1HG2      VAL  50   5.846  -0.775   0.962
  413   2HG2  VAL  50          2HG2      VAL  50   5.287   0.580  -0.019
  414   3HG2  VAL  50          3HG2      VAL  50   5.413   0.752   1.732
  415    H    CYS  51           H        CYS  51   2.568  -3.774   0.618
  416    HA   CYS  51           HA       CYS  51  -0.186  -3.420  -0.126
  417   1HB   CYS  51          1HB       CYS  51   1.112  -5.550   1.599
  418   2HB   CYS  51          2HB       CYS  51  -0.511  -5.626   0.923
  419    H    ALA  52           H        ALA  52  -1.819  -2.606   1.100
  420    HA   ALA  52           HA       ALA  52  -1.610  -2.667   4.011
  421   1HB   ALA  52          1HB       ALA  52  -0.435  -0.568   3.276
  422   2HB   ALA  52          2HB       ALA  52  -1.970  -0.021   2.602
  423   3HB   ALA  52          3HB       ALA  52  -1.818  -0.301   4.337
  424    H    ASP  53           H        ASP  53  -3.526  -3.041   4.880
  425    HA   ASP  53           HA       ASP  53  -5.904  -2.989   3.204
  426   1HB   ASP  53          1HB       ASP  53  -5.186  -4.106   5.872
  427   2HB   ASP  53          2HB       ASP  53  -6.880  -3.710   5.593
  428    H    LYS  54           H        LYS  54  -7.383  -1.418   3.183
  429    HA   LYS  54           HA       LYS  54  -6.985   1.059   4.444
  430   1HB   LYS  54          1HB       LYS  54  -8.457   0.512   2.407
  431   2HB   LYS  54          2HB       LYS  54  -9.699   0.072   3.580
  432   1HG   LYS  54          1HG       LYS  54  -8.331   2.672   4.032
  433   2HG   LYS  54          2HG       LYS  54  -9.407   2.587   2.637
  434   1HD   LYS  54          1HD       LYS  54 -10.973   1.373   4.469
  435   2HD   LYS  54          2HD       LYS  54 -10.049   2.429   5.537
  436   1HE   LYS  54          1HE       LYS  54 -11.753   3.876   4.946
  437   2HE   LYS  54          2HE       LYS  54 -10.604   4.229   3.655
  438   1HZ   LYS  54          1HZ       LYS  54 -11.795   2.340   2.429
  439   2HZ   LYS  54          2HZ       LYS  54 -13.040   2.569   3.557
  440   3HZ   LYS  54          3HZ       LYS  54 -12.575   3.845   2.536
  441    H    SER  55           H        SER  55  -8.566  -1.843   5.551
  442    HA   SER  55           HA       SER  55 -10.262  -0.828   7.528
  443   1HB   SER  55          1HB       SER  55  -8.756  -3.292   8.182
  444   2HB   SER  55          2HB       SER  55 -10.487  -2.983   8.236
  445    HG   SER  55           HG       SER  55 -10.655  -3.513   6.179
  446    H    LYS  56           H        LYS  56  -6.787  -1.115   7.459
  447    HA   LYS  56           HA       LYS  56  -6.223  -1.009  10.212
  448   1HB   LYS  56          1HB       LYS  56  -4.620   0.219   7.956
  449   2HB   LYS  56          2HB       LYS  56  -4.020  -0.185   9.565
  450   1HG   LYS  56          1HG       LYS  56  -5.363  -2.377   8.069
  451   2HG   LYS  56          2HG       LYS  56  -3.787  -1.863   7.463
  452   1HD   LYS  56          1HD       LYS  56  -3.032  -3.356   9.030
  453   2HD   LYS  56          2HD       LYS  56  -3.231  -1.972  10.105
  454   1HE   LYS  56          1HE       LYS  56  -5.752  -2.951  10.163
  455   2HE   LYS  56          2HE       LYS  56  -4.860  -4.447   9.884
  456   1HZ   LYS  56          1HZ       LYS  56  -3.367  -3.623  11.765
  457   2HZ   LYS  56          2HZ       LYS  56  -4.633  -2.558  12.141
  458   3HZ   LYS  56          3HZ       LYS  56  -4.897  -4.236  12.179
  459    H    ASP  57           H        ASP  57  -4.768   1.136  10.845
  460    HA   ASP  57           HA       ASP  57  -6.780   3.282  10.909
  461   1HB   ASP  57          1HB       ASP  57  -4.370   2.700  12.637
  462   2HB   ASP  57          2HB       ASP  57  -5.311   4.187  12.760
  463    H    TRP  58           H        TRP  58  -3.210   3.086  10.788
  464    HA   TRP  58           HA       TRP  58  -2.871   5.705   9.801
  465   1HB   TRP  58          1HB       TRP  58  -0.581   5.004   9.205
  466   2HB   TRP  58          2HB       TRP  58  -1.018   4.503  10.836
  467    HD1  TRP  58           HD1      TRP  58  -1.507   1.900  11.239
  468    HE1  TRP  58           HE1      TRP  58  -0.727  -0.190   9.948
  469    HE3  TRP  58           HE3      TRP  58  -0.043   4.066   6.855
  470    HZ2  TRP  58           HZ2      TRP  58   0.377  -0.857   7.380
  471    HZ3  TRP  58           HZ3      TRP  58   0.871   2.687   5.013
  472    HH2  TRP  58           HH2      TRP  58   1.077   0.232   5.268
  473    H    VAL  59           H        VAL  59  -3.552   2.683   8.192
  474    HA   VAL  59           HA       VAL  59  -2.872   3.601   5.561
  475    HB   VAL  59           HB       VAL  59  -4.764   1.368   6.333
  476   1HG1  VAL  59          1HG1      VAL  59  -3.554   2.361   3.804
  477   2HG1  VAL  59          2HG1      VAL  59  -3.568   0.611   4.027
  478   3HG1  VAL  59          3HG1      VAL  59  -5.080   1.517   4.064
  479   1HG2  VAL  59          1HG2      VAL  59  -1.773   1.337   5.823
  480   2HG2  VAL  59          2HG2      VAL  59  -2.549   1.096   7.388
  481   3HG2  VAL  59          3HG2      VAL  59  -2.777  -0.087   6.100
  482    H    LYS  60           H        LYS  60  -5.751   3.593   7.568
  483    HA   LYS  60           HA       LYS  60  -7.644   4.287   5.601
  484   1HB   LYS  60          1HB       LYS  60  -8.035   3.591   8.060
  485   2HB   LYS  60          2HB       LYS  60  -7.783   5.296   8.437
  486   1HG   LYS  60          1HG       LYS  60  -9.540   5.805   6.649
  487   2HG   LYS  60          2HG       LYS  60  -9.918   4.083   6.672
  488   1HD   LYS  60          1HD       LYS  60 -10.323   4.236   9.127
  489   2HD   LYS  60          2HD       LYS  60 -10.046   5.976   9.037
  490   1HE   LYS  60          1HE       LYS  60 -12.365   5.881   8.841
  491   2HE   LYS  60          2HE       LYS  60 -11.878   5.875   7.147
  492   1HZ   LYS  60          1HZ       LYS  60 -11.832   3.330   7.475
  493   2HZ   LYS  60          2HZ       LYS  60 -12.835   3.644   8.809
  494   3HZ   LYS  60          3HZ       LYS  60 -13.327   4.109   7.254
  495    H    LYS  61           H        LYS  61  -5.700   6.353   7.773
  496    HA   LYS  61           HA       LYS  61  -6.729   8.806   6.787
  497   1HB   LYS  61          1HB       LYS  61  -4.680   9.824   7.775
  498   2HB   LYS  61          2HB       LYS  61  -5.518   8.754   8.897
  499   1HG   LYS  61          1HG       LYS  61  -3.945   6.975   8.496
  500   2HG   LYS  61          2HG       LYS  61  -3.198   7.864   7.168
  501   1HD   LYS  61          1HD       LYS  61  -1.724   8.285   8.942
  502   2HD   LYS  61          2HD       LYS  61  -2.768   9.706   8.972
  503   1HE   LYS  61          1HE       LYS  61  -3.693   7.366  10.554
  504   2HE   LYS  61          2HE       LYS  61  -2.274   8.213  11.169
  505   1HZ   LYS  61          1HZ       LYS  61  -3.709  10.301  10.703
  506   2HZ   LYS  61          2HZ       LYS  61  -5.009   9.215  10.775
  507   3HZ   LYS  61          3HZ       LYS  61  -3.979   9.394  12.114
  508    H    LEU  62           H        LEU  62  -4.199   6.654   5.680
  509    HA   LEU  62           HA       LEU  62  -2.931   8.432   3.864
  510   1HB   LEU  62          1HB       LEU  62  -3.178   5.440   3.950
  511   2HB   LEU  62          2HB       LEU  62  -2.329   6.265   2.664
  512    HG   LEU  62           HG       LEU  62  -1.608   6.502   5.589
  513   1HD1  LEU  62          1HD1      LEU  62  -0.857   4.572   3.430
  514   2HD1  LEU  62          2HD1      LEU  62   0.395   5.084   4.560
  515   3HD1  LEU  62          3HD1      LEU  62  -1.062   4.293   5.159
  516   1HD2  LEU  62          1HD2      LEU  62  -0.517   7.550   2.998
  517   2HD2  LEU  62          2HD2      LEU  62  -0.649   8.357   4.559
  518   3HD2  LEU  62          3HD2      LEU  62   0.614   7.156   4.293
  519    H    MET  63           H        MET  63  -5.349   5.878   3.368
  520    HA   MET  63           HA       MET  63  -5.849   6.215   0.662
  521   1HB   MET  63          1HB       MET  63  -7.839   5.542   2.840
  522   2HB   MET  63          2HB       MET  63  -8.124   5.328   1.117
  523   1HG   MET  63          1HG       MET  63  -5.874   4.017   2.670
  524   2HG   MET  63          2HG       MET  63  -7.379   3.221   2.223
  525   1HE   MET  63          1HE       MET  63  -7.948   2.236   0.428
  526   2HE   MET  63          2HE       MET  63  -8.064   3.467  -0.827
  527   3HE   MET  63          3HE       MET  63  -7.096   2.011  -1.097
  528    H    GLN  64           H        GLN  64  -7.287   7.950   3.384
  529    HA   GLN  64           HA       GLN  64  -8.946   9.603   1.693
  530   1HB   GLN  64          1HB       GLN  64  -8.209   9.980   4.606
  531   2HB   GLN  64          2HB       GLN  64  -9.524  10.781   3.745
  532   1HG   GLN  64          1HG       GLN  64 -10.638   8.644   3.370
  533   2HG   GLN  64          2HG       GLN  64  -9.288   7.780   4.106
  534   2HE2  GLN  64          2HE2      GLN  64 -12.238   9.481   4.771
  535   1HE2  GLN  64          1HE2      GLN  64 -12.137   9.417   6.465
  536    H    GLN  65           H        GLN  65  -5.753   9.775   3.099
  537    HA   GLN  65           HA       GLN  65  -5.403  12.600   2.738
  538   1HB   GLN  65          1HB       GLN  65  -3.637  10.298   3.456
  539   2HB   GLN  65          2HB       GLN  65  -2.893  11.807   2.929
  540   1HG   GLN  65          1HG       GLN  65  -5.075  12.156   4.888
  541   2HG   GLN  65          2HG       GLN  65  -3.678  11.277   5.508
  542   2HE2  GLN  65          2HE2      GLN  65  -4.450  14.273   3.654
  543   1HE2  GLN  65          1HE2      GLN  65  -3.172  15.178   4.307
  544    H    LEU  66           H        LEU  66  -4.873   9.739   0.781
  545    HA   LEU  66           HA       LEU  66  -3.686  11.432  -1.338
  546   1HB   LEU  66          1HB       LEU  66  -3.608   8.430  -1.149
  547   2HB   LEU  66          2HB       LEU  66  -2.716   9.446  -2.260
  548    HG   LEU  66           HG       LEU  66  -2.305   9.380   0.740
  549   1HD1  LEU  66          1HD1      LEU  66  -1.622   7.276  -0.357
  550   2HD1  LEU  66          2HD1      LEU  66  -0.667   8.192  -1.522
  551   3HD1  LEU  66          3HD1      LEU  66  -0.214   8.191   0.182
  552   1HD2  LEU  66          1HD2      LEU  66  -1.731  11.434  -0.933
  553   2HD2  LEU  66          2HD2      LEU  66  -0.730  11.024   0.459
  554   3HD2  LEU  66          3HD2      LEU  66  -0.277  10.460  -1.149
  555    HA   PRO  67           HA       PRO  67  -7.351  10.669  -3.667
  556   1HB   PRO  67          1HB       PRO  67  -6.402  10.968  -6.222
  557   2HB   PRO  67          2HB       PRO  67  -6.692  12.316  -5.112
  558   1HG   PRO  67          1HG       PRO  67  -4.124  11.094  -5.958
  559   2HG   PRO  67          2HG       PRO  67  -4.469  12.751  -5.442
  560   1HD   PRO  67          1HD       PRO  67  -3.271  10.747  -3.861
  561   2HD   PRO  67          2HD       PRO  67  -3.949  12.280  -3.263
  562    H    VAL  68           H        VAL  68  -5.072   9.345  -6.047
  563    HA   VAL  68           HA       VAL  68  -5.210   6.652  -5.384
  564    HB   VAL  68           HB       VAL  68  -7.740   7.384  -6.061
  565   1HG1  VAL  68          1HG1      VAL  68  -7.074   7.933  -8.413
  566   2HG1  VAL  68          2HG1      VAL  68  -6.616   6.243  -8.632
  567   3HG1  VAL  68          3HG1      VAL  68  -8.296   6.666  -8.303
  568   1HG2  VAL  68          1HG2      VAL  68  -6.533   5.142  -5.296
  569   2HG2  VAL  68          2HG2      VAL  68  -8.188   5.138  -5.907
  570   3HG2  VAL  68          3HG2      VAL  68  -6.854   4.688  -6.970
  571    H    THR  69           H        THR  69  -4.750   5.228  -7.402
  572    HA   THR  69           HA       THR  69  -2.535   6.466  -8.774
  573    HB   THR  69           HB       THR  69  -2.677   4.102  -9.991
  574    HG1  THR  69           HG1      THR  69  -4.146   2.884  -9.162
  575   1HG2  THR  69          1HG2      THR  69  -1.003   5.073  -8.266
  576   2HG2  THR  69          2HG2      THR  69  -1.921   4.152  -7.075
  577   3HG2  THR  69          3HG2      THR  69  -1.119   3.320  -8.407
  578    H    ALA  70           H        ALA  70  -5.482   4.797  -9.904
  579    HA   ALA  70           HA       ALA  70  -6.753   5.060 -11.802
  580   1HB   ALA  70          1HB       ALA  70  -5.622   7.791 -12.264
  581   2HB   ALA  70          2HB       ALA  70  -6.615   7.514 -10.833
  582   3HB   ALA  70          3HB       ALA  70  -7.280   7.220 -12.440
  583    H    ARG  71           H        ARG  71  -6.628   5.334 -14.163
  584    HA   ARG  71           HA       ARG  71  -4.093   5.702 -15.448
  585   1HB   ARG  71          1HB       ARG  71  -3.890   3.372 -16.314
  586   2HB   ARG  71          2HB       ARG  71  -3.626   3.485 -14.574
  587   1HG   ARG  71          1HG       ARG  71  -5.101   1.700 -14.639
  588   2HG   ARG  71          2HG       ARG  71  -6.243   3.035 -14.491
  589   1HD   ARG  71          1HD       ARG  71  -6.910   2.894 -16.700
  590   2HD   ARG  71          2HD       ARG  71  -5.369   2.233 -17.234
  591    HE   ARG  71           HE       ARG  71  -6.242   0.122 -16.889
  592   1HH1  ARG  71          1HH1      ARG  71  -8.080   2.436 -15.012
  593   2HH1  ARG  71          2HH1      ARG  71  -9.233   1.260 -14.482
  594   1HH2  ARG  71          1HH2      ARG  71  -7.768  -1.378 -16.175
  595   2HH2  ARG  71          2HH2      ARG  71  -9.059  -0.881 -15.133

  No H/Q in entry =         595
  Start of MODEL   36
    1    H1   LEU   1           H1       LEU   1 -11.140 -25.730 -11.725
    2    H2   LEU   1           H2       LEU   1 -11.560 -25.217 -10.160
    3    H3   LEU   1           H3       LEU   1 -11.230 -24.071 -11.366
    4    HA   LEU   1           HA       LEU   1  -9.281 -24.067 -10.155
    5   1HB   LEU   1          1HB       LEU   1 -10.209 -26.399  -9.108
    6   2HB   LEU   1          2HB       LEU   1  -8.911 -27.015 -10.128
    7    HG   LEU   1           HG       LEU   1  -8.070 -26.535  -7.870
    8   1HD1  LEU   1          1HD1      LEU   1  -6.828 -25.889 -10.154
    9   2HD1  LEU   1          2HD1      LEU   1  -6.928 -24.275  -9.448
   10   3HD1  LEU   1          3HD1      LEU   1  -6.104 -25.569  -8.577
   11   1HD2  LEU   1          1HD2      LEU   1  -9.862 -24.531  -7.765
   12   2HD2  LEU   1          2HD2      LEU   1  -8.421 -24.559  -6.747
   13   3HD2  LEU   1          3HD2      LEU   1  -8.438 -23.598  -8.227
   14    H    GLY   2           H        GLY   2  -7.482 -23.715 -11.314
   15   1HA   GLY   2          1HA       GLY   2  -6.151 -23.614 -13.209
   16   2HA   GLY   2          2HA       GLY   2  -7.337 -24.619 -14.039
   17    H    ALA   3           H        ALA   3  -5.029 -24.931 -11.329
   18    HA   ALA   3           HA       ALA   3  -4.588 -27.727 -11.834
   19   1HB   ALA   3          1HB       ALA   3  -2.225 -27.547 -12.485
   20   2HB   ALA   3          2HB       ALA   3  -2.369 -25.790 -12.540
   21   3HB   ALA   3          3HB       ALA   3  -3.266 -26.784 -13.687
   22    H    SER   4           H        SER   4  -3.200 -24.755 -10.468
   23    HA   SER   4           HA       SER   4  -3.305 -25.729  -7.797
   24   1HB   SER   4          1HB       SER   4  -1.373 -27.076  -8.647
   25   2HB   SER   4          2HB       SER   4  -0.527 -25.570  -8.991
   26    HG   SER   4           HG       SER   4  -0.055 -25.450  -6.955
   27    H    TRP   5           H        TRP   5  -4.063 -23.812  -7.100
   28    HA   TRP   5           HA       TRP   5  -2.969 -21.294  -7.987
   29   1HB   TRP   5          1HB       TRP   5  -5.381 -21.711  -7.250
   30   2HB   TRP   5          2HB       TRP   5  -4.764 -21.710  -5.597
   31    HD1  TRP   5           HD1      TRP   5  -5.086 -19.435  -8.670
   32    HE1  TRP   5           HE1      TRP   5  -4.913 -16.982  -7.895
   33    HE3  TRP   5           HE3      TRP   5  -3.934 -20.145  -3.745
   34    HZ2  TRP   5           HZ2      TRP   5  -4.359 -15.515  -5.502
   35    HZ3  TRP   5           HZ3      TRP   5  -3.589 -18.205  -2.242
   36    HH2  TRP   5           HH2      TRP   5  -3.801 -15.893  -3.113
   37    H    HIS   6           H        HIS   6  -0.737 -21.669  -7.404
   38    HA   HIS   6           HA       HIS   6  -0.221 -20.911  -4.610
   39   1HB   HIS   6          1HB       HIS   6   0.094 -23.467  -5.136
   40   2HB   HIS   6          2HB       HIS   6   1.585 -22.920  -5.902
   41    HD1  HIS   6           HD1      HIS   6  -0.117 -21.798  -2.670
   42    HD2  HIS   6           HD2      HIS   6   3.550 -23.273  -3.996
   43    HE1  HIS   6           HE1      HIS   6   1.419 -21.814  -0.656
   44    H    ARG   7           H        ARG   7   1.205 -21.477  -7.809
   45    HA   ARG   7           HA       ARG   7   3.444 -19.758  -7.391
   46   1HB   ARG   7          1HB       ARG   7   2.316 -21.309  -9.628
   47   2HB   ARG   7          2HB       ARG   7   3.149 -19.835 -10.120
   48   1HG   ARG   7          1HG       ARG   7   5.190 -20.527  -9.187
   49   2HG   ARG   7          2HG       ARG   7   4.414 -21.703  -8.126
   50   1HD   ARG   7          1HD       ARG   7   5.346 -23.043  -9.816
   51   2HD   ARG   7          2HD       ARG   7   3.667 -22.870 -10.317
   52    HE   ARG   7           HE       ARG   7   5.289 -20.813 -11.457
   53   1HH1  ARG   7          1HH1      ARG   7   4.494 -24.209 -11.745
   54   2HH1  ARG   7          2HH1      ARG   7   4.871 -24.271 -13.433
   55   1HH2  ARG   7          1HH2      ARG   7   5.770 -20.937 -13.656
   56   2HH2  ARG   7          2HH2      ARG   7   5.587 -22.435 -14.506
   57    HA   PRO   8           HA       PRO   8   0.971 -16.459  -9.777
   58   1HB   PRO   8          1HB       PRO   8  -1.636 -16.943 -10.436
   59   2HB   PRO   8          2HB       PRO   8  -0.264 -17.375 -11.469
   60   1HG   PRO   8          1HG       PRO   8  -1.996 -19.121  -9.817
   61   2HG   PRO   8          2HG       PRO   8  -1.089 -19.498 -11.288
   62   1HD   PRO   8          1HD       PRO   8  -0.332 -20.154  -8.637
   63   2HD   PRO   8          2HD       PRO   8   0.693 -20.264 -10.087
   64    H    ASP   9           H        ASP   9   0.066 -14.687  -8.795
   65    HA   ASP   9           HA       ASP   9  -2.186 -14.695  -7.095
   66   1HB   ASP   9          1HB       ASP   9  -0.590 -15.980  -5.628
   67   2HB   ASP   9          2HB       ASP   9   0.429 -14.541  -5.583
   68    H    LYS  10           H        LYS  10  -2.511 -12.872  -8.450
   69    HA   LYS  10           HA       LYS  10  -0.751 -10.677  -8.649
   70   1HB   LYS  10          1HB       LYS  10  -2.975 -11.266  -9.955
   71   2HB   LYS  10          2HB       LYS  10  -3.707 -10.239  -8.722
   72   1HG   LYS  10          1HG       LYS  10  -1.229  -9.220 -10.025
   73   2HG   LYS  10          2HG       LYS  10  -2.699  -9.234 -11.001
   74   1HD   LYS  10          1HD       LYS  10  -3.698  -8.205  -8.710
   75   2HD   LYS  10          2HD       LYS  10  -2.038  -7.615  -8.597
   76   1HE   LYS  10          1HE       LYS  10  -2.478  -6.996 -11.156
   77   2HE   LYS  10          2HE       LYS  10  -4.151  -6.958 -10.603
   78   1HZ   LYS  10          1HZ       LYS  10  -1.947  -5.519  -9.239
   79   2HZ   LYS  10          2HZ       LYS  10  -2.937  -4.807 -10.422
   80   3HZ   LYS  10          3HZ       LYS  10  -3.613  -5.355  -8.964
   81    H    CYS  11           H        CYS  11  -3.138 -11.580  -6.248
   82    HA   CYS  11           HA       CYS  11  -3.407  -9.101  -4.935
   83   1HB   CYS  11          1HB       CYS  11  -3.782 -11.957  -4.100
   84   2HB   CYS  11          2HB       CYS  11  -3.870 -10.672  -2.897
   85    H    CYS  12           H        CYS  12  -2.706  -9.121  -2.434
   86    HA   CYS  12           HA       CYS  12   0.220  -9.054  -2.519
   87   1HB   CYS  12          1HB       CYS  12  -1.870  -7.827  -0.751
   88   2HB   CYS  12          2HB       CYS  12  -0.209  -7.972  -0.177
   89    H    LEU  13           H        LEU  13  -2.416 -10.715  -0.918
   90    HA   LEU  13           HA       LEU  13  -2.461 -12.559   0.461
   91   1HB   LEU  13          1HB       LEU  13  -0.597 -13.131  -1.375
   92   2HB   LEU  13          2HB       LEU  13   0.415 -13.133   0.052
   93    HG   LEU  13           HG       LEU  13  -1.015 -14.863   1.065
   94   1HD1  LEU  13          1HD1      LEU  13  -2.578 -14.435  -1.480
   95   2HD1  LEU  13          2HD1      LEU  13  -2.664 -15.966  -0.608
   96   3HD1  LEU  13          3HD1      LEU  13  -3.169 -14.472   0.181
   97   1HD2  LEU  13          1HD2      LEU  13   0.214 -15.268  -1.648
   98   2HD2  LEU  13          2HD2      LEU  13   0.765 -15.852  -0.079
   99   3HD2  LEU  13          3HD2      LEU  13  -0.615 -16.615  -0.868
  100    H    GLY  14           H        GLY  14  -1.268  -9.841   1.318
  101   1HA   GLY  14          1HA       GLY  14   0.694 -10.219   3.286
  102   2HA   GLY  14          2HA       GLY  14  -0.884 -10.439   4.042
  103    H    TYR  15           H        TYR  15   0.783  -8.363   4.824
  104    HA   TYR  15           HA       TYR  15  -0.024  -5.941   3.432
  105   1HB   TYR  15          1HB       TYR  15  -1.025  -6.562   6.217
  106   2HB   TYR  15          2HB       TYR  15  -1.066  -4.958   5.484
  107    HD1  TYR  15           HD1      TYR  15  -2.080  -4.921   3.010
  108    HD2  TYR  15           HD2      TYR  15  -2.916  -7.907   5.981
  109    HE1  TYR  15           HE1      TYR  15  -4.180  -5.503   1.831
  110    HE2  TYR  15           HE2      TYR  15  -5.018  -8.491   4.801
  111    HH   TYR  15           HH       TYR  15  -5.749  -8.164   2.082
  112    H    GLN  16           H        GLN  16   0.773  -3.976   4.652
  113    HA   GLN  16           HA       GLN  16   3.545  -4.198   5.084
  114   1HB   GLN  16          1HB       GLN  16   2.445  -2.086   4.403
  115   2HB   GLN  16          2HB       GLN  16   1.685  -1.981   5.983
  116   1HG   GLN  16          1HG       GLN  16   3.758  -0.570   5.748
  117   2HG   GLN  16          2HG       GLN  16   3.832  -1.725   7.071
  118   2HE2  GLN  16          2HE2      GLN  16   5.289  -0.795   4.041
  119   1HE2  GLN  16          1HE2      GLN  16   6.480  -2.002   4.020
  120    H    LYS  17           H        LYS  17   0.924  -3.609   7.394
  121    HA   LYS  17           HA       LYS  17   0.659  -4.383   9.569
  122   1HB   LYS  17          1HB       LYS  17   3.571  -5.172   9.676
  123   2HB   LYS  17          2HB       LYS  17   2.260  -5.700  10.728
  124   1HG   LYS  17          1HG       LYS  17   1.251  -6.484   8.350
  125   2HG   LYS  17          2HG       LYS  17   2.974  -6.614   7.990
  126   1HD   LYS  17          1HD       LYS  17   3.327  -8.098   9.859
  127   2HD   LYS  17          2HD       LYS  17   1.685  -7.833  10.445
  128   1HE   LYS  17          1HE       LYS  17   0.727  -9.097   8.726
  129   2HE   LYS  17          2HE       LYS  17   2.123  -8.895   7.667
  130   1HZ   LYS  17          1HZ       LYS  17   3.406 -10.281   9.213
  131   2HZ   LYS  17          2HZ       LYS  17   2.008 -10.533  10.140
  132   3HZ   LYS  17          3HZ       LYS  17   2.084 -11.115   8.546
  133    H    ARG  18           H        ARG  18   3.684  -2.708   8.760
  134    HA   ARG  18           HA       ARG  18   3.445  -1.129  11.224
  135   1HB   ARG  18          1HB       ARG  18   5.703  -0.264  10.581
  136   2HB   ARG  18          2HB       ARG  18   5.666  -2.010  10.821
  137   1HG   ARG  18          1HG       ARG  18   5.673  -2.441   8.482
  138   2HG   ARG  18          2HG       ARG  18   5.277  -0.765   8.096
  139   1HD   ARG  18          1HD       ARG  18   7.675  -1.271   7.697
  140   2HD   ARG  18          2HD       ARG  18   7.452  -0.023   8.919
  141    HE   ARG  18           HE       ARG  18   8.414  -1.453  10.467
  142   1HH1  ARG  18          1HH1      ARG  18   7.362  -3.300   7.685
  143   2HH1  ARG  18          2HH1      ARG  18   8.082  -4.768   8.246
  144   1HH2  ARG  18          1HH2      ARG  18   9.339  -3.390  11.160
  145   2HH2  ARG  18          2HH2      ARG  18   9.192  -4.821  10.196
  146    HA   PRO  19           HA       PRO  19   1.885   2.249   8.802
  147   1HB   PRO  19          1HB       PRO  19   2.207   4.261  10.620
  148   2HB   PRO  19          2HB       PRO  19   0.949   3.024  10.735
  149   1HG   PRO  19          1HG       PRO  19   3.397   3.349  12.343
  150   2HG   PRO  19          2HG       PRO  19   1.892   2.509  12.738
  151   1HD   PRO  19          1HD       PRO  19   4.353   1.327  11.885
  152   2HD   PRO  19          2HD       PRO  19   2.796   0.506  12.142
  153    H    LEU  20           H        LEU  20   2.668   3.611   7.286
  154    HA   LEU  20           HA       LEU  20   5.470   4.526   7.562
  155   1HB   LEU  20          1HB       LEU  20   4.194   4.692   4.908
  156   2HB   LEU  20          2HB       LEU  20   5.813   4.201   5.347
  157    HG   LEU  20           HG       LEU  20   3.308   2.506   5.395
  158   1HD1  LEU  20          1HD1      LEU  20   5.666   2.836   3.613
  159   2HD1  LEU  20          2HD1      LEU  20   5.139   1.181   3.914
  160   3HD1  LEU  20          3HD1      LEU  20   4.017   2.349   3.221
  161   1HD2  LEU  20          1HD2      LEU  20   5.987   2.168   6.673
  162   2HD2  LEU  20          2HD2      LEU  20   4.410   1.582   7.201
  163   3HD2  LEU  20          3HD2      LEU  20   5.270   0.751   5.905
  164    HA   PRO  21           HA       PRO  21   3.940   8.680   7.443
  165   1HB   PRO  21          1HB       PRO  21   6.152  10.003   6.524
  166   2HB   PRO  21          2HB       PRO  21   6.018   9.327   8.158
  167   1HG   PRO  21          1HG       PRO  21   7.599   8.356   5.856
  168   2HG   PRO  21          2HG       PRO  21   7.859   8.106   7.588
  169   1HD   PRO  21          1HD       PRO  21   6.721   6.248   5.748
  170   2HD   PRO  21          2HD       PRO  21   6.805   6.083   7.518
  171    H    GLN  22           H        GLN  22   2.709   9.850   6.060
  172    HA   GLN  22           HA       GLN  22   2.572   9.215   3.290
  173   1HB   GLN  22          1HB       GLN  22   0.722  10.149   4.817
  174   2HB   GLN  22          2HB       GLN  22   1.451  11.725   4.514
  175   1HG   GLN  22          1HG       GLN  22   0.966  10.010   2.132
  176   2HG   GLN  22          2HG       GLN  22  -0.460  10.681   2.922
  177   2HE2  GLN  22          2HE2      GLN  22   0.058  13.189   3.604
  178   1HE2  GLN  22          1HE2      GLN  22   0.676  14.116   2.324
  179    H    VAL  23           H        VAL  23   4.663  11.278   5.033
  180    HA   VAL  23           HA       VAL  23   5.044  13.434   3.335
  181    HB   VAL  23           HB       VAL  23   6.054  13.229   5.581
  182   1HG1  VAL  23          1HG1      VAL  23   6.827  10.743   4.822
  183   2HG1  VAL  23          2HG1      VAL  23   8.331  11.623   4.563
  184   3HG1  VAL  23          3HG1      VAL  23   7.571  11.623   6.154
  185   1HG2  VAL  23          1HG2      VAL  23   8.032  13.635   3.321
  186   2HG2  VAL  23          2HG2      VAL  23   6.997  14.870   4.041
  187   3HG2  VAL  23          3HG2      VAL  23   8.293  14.142   4.991
  188    H    LEU  24           H        LEU  24   6.192  10.153   3.051
  189    HA   LEU  24           HA       LEU  24   7.726  10.853   0.629
  190   1HB   LEU  24          1HB       LEU  24   8.682   8.630   0.806
  191   2HB   LEU  24          2HB       LEU  24   8.888   9.501   2.310
  192    HG   LEU  24           HG       LEU  24   6.714   8.235   3.035
  193   1HD1  LEU  24          1HD1      LEU  24   7.238   7.104   0.420
  194   2HD1  LEU  24          2HD1      LEU  24   7.341   5.849   1.654
  195   3HD1  LEU  24          3HD1      LEU  24   5.876   6.817   1.501
  196   1HD2  LEU  24          1HD2      LEU  24   9.297   7.932   3.614
  197   2HD2  LEU  24          2HD2      LEU  24   8.088   6.781   4.183
  198   3HD2  LEU  24          3HD2      LEU  24   9.059   6.408   2.759
  199    H    LEU  25           H        LEU  25   5.016   9.018   1.844
  200    HA   LEU  25           HA       LEU  25   4.497   7.396  -0.373
  201   1HB   LEU  25          1HB       LEU  25   3.360   7.654   2.040
  202   2HB   LEU  25          2HB       LEU  25   2.174   8.506   1.080
  203    HG   LEU  25           HG       LEU  25   1.749   6.534  -0.253
  204   1HD1  LEU  25          1HD1      LEU  25   4.257   5.609   1.061
  205   2HD1  LEU  25          2HD1      LEU  25   3.018   4.390   0.766
  206   3HD1  LEU  25          3HD1      LEU  25   3.676   5.323  -0.579
  207   1HD2  LEU  25          1HD2      LEU  25   1.693   6.383   2.721
  208   2HD2  LEU  25          2HD2      LEU  25   0.362   6.306   1.566
  209   3HD2  LEU  25          3HD2      LEU  25   1.370   4.886   1.847
  210    H    SER  26           H        SER  26   2.978   7.551  -2.048
  211    HA   SER  26           HA       SER  26   2.465  10.337  -2.917
  212   1HB   SER  26          1HB       SER  26   4.003   8.536  -4.233
  213   2HB   SER  26          2HB       SER  26   2.436   8.195  -4.958
  214    HG   SER  26           HG       SER  26   4.019  10.115  -5.612
  215    H    SER  27           H        SER  27   1.220   7.109  -3.824
  216    HA   SER  27           HA       SER  27  -1.502   7.969  -3.131
  217   1HB   SER  27          1HB       SER  27  -1.240   6.680  -5.785
  218   2HB   SER  27          2HB       SER  27  -2.383   7.896  -5.232
  219    HG   SER  27           HG       SER  27  -0.739   8.621  -6.765
  220    H    TRP  28           H        TRP  28  -2.919   5.904  -4.219
  221    HA   TRP  28           HA       TRP  28  -1.632   3.385  -3.467
  222   1HB   TRP  28          1HB       TRP  28  -3.609   2.806  -1.991
  223   2HB   TRP  28          2HB       TRP  28  -2.506   4.007  -1.326
  224    HD1  TRP  28           HD1      TRP  28  -3.312   6.550  -1.291
  225    HE1  TRP  28           HE1      TRP  28  -5.662   7.606  -1.361
  226    HE3  TRP  28           HE3      TRP  28  -6.031   2.540  -2.931
  227    HZ2  TRP  28           HZ2      TRP  28  -8.339   6.845  -2.040
  228    HZ3  TRP  28           HZ3      TRP  28  -8.472   2.740  -3.282
  229    HH2  TRP  28           HH2      TRP  28  -9.630   4.885  -2.835
  230    H    TYR  29           H        TYR  29  -2.423   1.668  -4.582
  231    HA   TYR  29           HA       TYR  29  -4.849   2.148  -6.204
  232   1HB   TYR  29          1HB       TYR  29  -3.913   0.855  -8.012
  233   2HB   TYR  29          2HB       TYR  29  -2.766   2.114  -7.579
  234    HD1  TYR  29           HD1      TYR  29  -0.784   1.498  -6.075
  235    HD2  TYR  29           HD2      TYR  29  -3.325  -1.433  -7.918
  236    HE1  TYR  29           HE1      TYR  29   0.964  -0.223  -5.743
  237    HE2  TYR  29           HE2      TYR  29  -1.575  -3.158  -7.583
  238    HH   TYR  29           HH       TYR  29   1.310  -2.807  -7.256
  239    HA   PRO  30           HA       PRO  30  -6.327  -1.517  -4.217
  240   1HB   PRO  30          1HB       PRO  30  -8.471  -2.048  -5.825
  241   2HB   PRO  30          2HB       PRO  30  -8.433  -0.736  -4.636
  242   1HG   PRO  30          1HG       PRO  30  -8.266  -0.602  -7.586
  243   2HG   PRO  30          2HG       PRO  30  -8.822   0.619  -6.431
  244   1HD   PRO  30          1HD       PRO  30  -6.292   0.540  -7.728
  245   2HD   PRO  30          2HD       PRO  30  -6.773   1.621  -6.399
  246    H    THR  31           H        THR  31  -6.155  -3.725  -4.330
  247    HA   THR  31           HA       THR  31  -5.009  -4.831  -6.805
  248    HB   THR  31           HB       THR  31  -3.681  -5.158  -4.776
  249    HG1  THR  31           HG1      THR  31  -3.374  -6.870  -5.998
  250   1HG2  THR  31          1HG2      THR  31  -6.232  -5.576  -3.579
  251   2HG2  THR  31          2HG2      THR  31  -5.307  -7.065  -3.388
  252   3HG2  THR  31          3HG2      THR  31  -4.655  -5.540  -2.791
  253    H    SER  32           H        SER  32  -5.553  -7.417  -6.732
  254    HA   SER  32           HA       SER  32  -8.176  -7.652  -7.700
  255   1HB   SER  32          1HB       SER  32  -6.015  -9.554  -6.968
  256   2HB   SER  32          2HB       SER  32  -7.644 -10.210  -7.084
  257    HG   SER  32           HG       SER  32  -6.208  -8.748  -9.050
  258    H    GLN  33           H        GLN  33 -10.073  -7.774  -6.703
  259    HA   GLN  33           HA       GLN  33 -10.143  -8.166  -3.805
  260   1HB   GLN  33          1HB       GLN  33 -12.502  -7.408  -4.042
  261   2HB   GLN  33          2HB       GLN  33 -11.338  -6.231  -4.640
  262   1HG   GLN  33          1HG       GLN  33 -11.812  -6.742  -6.899
  263   2HG   GLN  33          2HG       GLN  33 -12.593  -8.266  -6.479
  264   2HE2  GLN  33          2HE2      GLN  33 -13.488  -5.479  -7.759
  265   1HE2  GLN  33          1HE2      GLN  33 -14.976  -5.207  -6.987
  266    H    LEU  34           H        LEU  34  -9.519 -10.497  -5.134
  267    HA   LEU  34           HA       LEU  34 -11.822 -12.139  -4.433
  268   1HB   LEU  34          1HB       LEU  34 -11.473 -13.478  -6.594
  269   2HB   LEU  34          2HB       LEU  34 -12.417 -12.010  -6.663
  270    HG   LEU  34           HG       LEU  34 -10.834 -12.380  -8.586
  271   1HD1  LEU  34          1HD1      LEU  34 -11.618 -10.070  -7.377
  272   2HD1  LEU  34          2HD1      LEU  34  -9.865  -9.885  -7.328
  273   3HD1  LEU  34          3HD1      LEU  34 -10.683 -10.128  -8.871
  274   1HD2  LEU  34          1HD2      LEU  34  -8.951 -13.309  -7.292
  275   2HD2  LEU  34          2HD2      LEU  34  -8.446 -11.881  -8.194
  276   3HD2  LEU  34          3HD2      LEU  34  -8.754 -11.767  -6.461
  277    H    CYS  35           H        CYS  35  -9.525 -11.897  -3.022
  278    HA   CYS  35           HA       CYS  35  -8.171 -14.478  -3.537
  279   1HB   CYS  35          1HB       CYS  35  -6.882 -12.005  -2.355
  280   2HB   CYS  35          2HB       CYS  35  -6.090 -13.545  -2.692
  281    H    SER  36           H        SER  36  -6.739 -14.793  -1.296
  282    HA   SER  36           HA       SER  36  -8.617 -15.648   0.612
  283   1HB   SER  36          1HB       SER  36  -6.060 -16.251   0.249
  284   2HB   SER  36          2HB       SER  36  -5.832 -15.010   1.477
  285    HG   SER  36           HG       SER  36  -7.350 -16.174   2.769
  286    H    LYS  37           H        LYS  37  -6.727 -12.688   0.362
  287    HA   LYS  37           HA       LYS  37  -8.553 -11.223   1.992
  288   1HB   LYS  37          1HB       LYS  37  -6.948 -10.668   3.824
  289   2HB   LYS  37          2HB       LYS  37  -7.475 -12.351   3.846
  290   1HG   LYS  37          1HG       LYS  37  -5.326 -12.675   2.307
  291   2HG   LYS  37          2HG       LYS  37  -4.804 -11.209   3.137
  292   1HD   LYS  37          1HD       LYS  37  -5.929 -13.505   4.718
  293   2HD   LYS  37          2HD       LYS  37  -4.244 -13.538   4.198
  294   1HE   LYS  37          1HE       LYS  37  -3.978 -12.443   6.211
  295   2HE   LYS  37          2HE       LYS  37  -4.291 -11.050   5.177
  296   1HZ   LYS  37          1HZ       LYS  37  -6.439 -12.520   6.592
  297   2HZ   LYS  37          2HZ       LYS  37  -5.644 -11.178   7.264
  298   3HZ   LYS  37          3HZ       LYS  37  -6.541 -11.008   5.832
  299    HA   PRO  38           HA       PRO  38  -5.817  -8.714  -0.747
  300   1HB   PRO  38          1HB       PRO  38  -7.806  -7.612  -2.260
  301   2HB   PRO  38          2HB       PRO  38  -7.042  -9.167  -2.624
  302   1HG   PRO  38          1HG       PRO  38  -9.737  -8.610  -1.550
  303   2HG   PRO  38          2HG       PRO  38  -9.147 -10.022  -2.438
  304   1HD   PRO  38          1HD       PRO  38  -9.560  -9.818   0.379
  305   2HD   PRO  38          2HD       PRO  38  -8.802 -11.168  -0.498
  306    H    GLY  39           H        GLY  39  -5.765  -6.336  -1.089
  307   1HA   GLY  39          1HA       GLY  39  -5.884  -4.772   1.094
  308   2HA   GLY  39          2HA       GLY  39  -7.548  -4.692   0.519
  309    H    VAL  40           H        VAL  40  -4.783  -3.026   0.498
  310    HA   VAL  40           HA       VAL  40  -4.872  -2.189  -2.313
  311    HB   VAL  40           HB       VAL  40  -5.180  -0.200  -0.052
  312   1HG1  VAL  40          1HG1      VAL  40  -4.091   0.222  -2.492
  313   2HG1  VAL  40          2HG1      VAL  40  -5.794   0.463  -2.875
  314   3HG1  VAL  40          3HG1      VAL  40  -5.022   1.440  -1.627
  315   1HG2  VAL  40          1HG2      VAL  40  -7.218  -1.588  -0.379
  316   2HG2  VAL  40          2HG2      VAL  40  -7.473   0.092  -0.853
  317   3HG2  VAL  40          3HG2      VAL  40  -7.219  -1.143  -2.085
  318    H    ILE  41           H        ILE  41  -2.974  -1.461  -3.076
  319    HA   ILE  41           HA       ILE  41  -0.673  -1.575  -1.252
  320    HB   ILE  41           HB       ILE  41  -0.923  -1.688  -4.266
  321   1HG1  ILE  41          1HG1      ILE  41   0.324  -3.910  -3.691
  322   2HG1  ILE  41          2HG1      ILE  41  -0.274  -3.618  -2.058
  323   1HG2  ILE  41          1HG2      ILE  41   1.585  -1.629  -2.555
  324   2HG2  ILE  41          2HG2      ILE  41   1.553  -2.076  -4.260
  325   3HG2  ILE  41          3HG2      ILE  41   1.115  -0.438  -3.769
  326   1HD1  ILE  41          1HD1      ILE  41  -2.237  -3.336  -4.279
  327   2HD1  ILE  41          2HD1      ILE  41  -1.712  -4.972  -3.878
  328   3HD1  ILE  41          3HD1      ILE  41  -2.468  -3.962  -2.646
  329    H    PHE  42           H        PHE  42   0.860   0.106  -1.186
  330    HA   PHE  42           HA       PHE  42  -0.190   2.729  -2.068
  331   1HB   PHE  42          1HB       PHE  42   1.326   1.863   0.365
  332   2HB   PHE  42          2HB       PHE  42   1.534   3.507  -0.237
  333    HD1  PHE  42           HD1      PHE  42  -0.963   1.042   0.979
  334    HD2  PHE  42           HD2      PHE  42  -0.182   5.150   0.003
  335    HE1  PHE  42           HE1      PHE  42  -3.108   1.699   2.034
  336    HE2  PHE  42           HE2      PHE  42  -2.326   5.808   1.056
  337    HZ   PHE  42           HZ       PHE  42  -3.789   4.084   2.076
  338    H    LEU  43           H        LEU  43   0.884   3.621  -3.693
  339    HA   LEU  43           HA       LEU  43   3.605   2.720  -4.309
  340   1HB   LEU  43          1HB       LEU  43   2.278   4.803  -5.955
  341   2HB   LEU  43          2HB       LEU  43   3.294   3.467  -6.446
  342    HG   LEU  43           HG       LEU  43   1.108   2.095  -5.637
  343   1HD1  LEU  43          1HD1      LEU  43   0.276   4.904  -6.146
  344   2HD1  LEU  43          2HD1      LEU  43  -0.717   3.649  -6.888
  345   3HD1  LEU  43          3HD1      LEU  43  -0.483   3.670  -5.140
  346   1HD2  LEU  43          1HD2      LEU  43   1.794   3.380  -8.281
  347   2HD2  LEU  43          2HD2      LEU  43   2.014   1.701  -7.786
  348   3HD2  LEU  43          3HD2      LEU  43   0.396   2.318  -8.123
  349    H    THR  44           H        THR  44   5.053   3.727  -3.005
  350    HA   THR  44           HA       THR  44   4.764   6.356  -2.001
  351    HB   THR  44           HB       THR  44   7.100   6.170  -1.340
  352    HG1  THR  44           HG1      THR  44   7.070   3.968  -3.119
  353   1HG2  THR  44          1HG2      THR  44   5.261   3.843  -1.026
  354   2HG2  THR  44          2HG2      THR  44   6.925   3.646  -0.479
  355   3HG2  THR  44          3HG2      THR  44   5.920   4.925   0.198
  356    H    LYS  45           H        LYS  45   6.402   8.116  -2.475
  357    HA   LYS  45           HA       LYS  45   6.110   9.003  -5.131
  358   1HB   LYS  45          1HB       LYS  45   7.899   9.873  -2.867
  359   2HB   LYS  45          2HB       LYS  45   7.980  10.643  -4.453
  360   1HG   LYS  45          1HG       LYS  45   5.880  11.582  -4.262
  361   2HG   LYS  45          2HG       LYS  45   5.283  10.291  -3.218
  362   1HD   LYS  45          1HD       LYS  45   5.520  11.888  -1.594
  363   2HD   LYS  45          2HD       LYS  45   7.193  11.330  -1.606
  364   1HE   LYS  45          1HE       LYS  45   7.330  13.122  -3.613
  365   2HE   LYS  45          2HE       LYS  45   6.033  13.855  -2.668
  366   1HZ   LYS  45          1HZ       LYS  45   7.575  13.483  -0.692
  367   2HZ   LYS  45          2HZ       LYS  45   8.805  13.262  -1.842
  368   3HZ   LYS  45          3HZ       LYS  45   7.971  14.737  -1.769
  369    H    ARG  46           H        ARG  46   9.065   7.912  -3.455
  370    HA   ARG  46           HA       ARG  46  10.102   6.991  -6.068
  371   1HB   ARG  46          1HB       ARG  46  11.160   9.140  -5.286
  372   2HB   ARG  46          2HB       ARG  46  11.785   8.241  -3.901
  373   1HG   ARG  46          1HG       ARG  46  13.222   6.959  -5.206
  374   2HG   ARG  46          2HG       ARG  46  12.245   7.161  -6.661
  375   1HD   ARG  46          1HD       ARG  46  12.880   9.675  -6.459
  376   2HD   ARG  46          2HD       ARG  46  14.161   9.107  -5.393
  377    HE   ARG  46           HE       ARG  46  14.164   7.616  -7.819
  378   1HH1  ARG  46          1HH1      ARG  46  14.988  10.759  -6.517
  379   2HH1  ARG  46          2HH1      ARG  46  16.216  11.052  -7.699
  380   1HH2  ARG  46          1HH2      ARG  46  15.774   8.038  -9.341
  381   2HH2  ARG  46          2HH2      ARG  46  16.659   9.526  -9.285
  382    H    GLY  47           H        GLY  47   9.144   5.989  -3.060
  383   1HA   GLY  47          1HA       GLY  47   9.755   4.265  -1.639
  384   2HA   GLY  47          2HA       GLY  47  11.311   4.183  -2.459
  385    H    ARG  48           H        ARG  48   8.348   2.681  -1.995
  386    HA   ARG  48           HA       ARG  48   8.303   1.247  -4.533
  387   1HB   ARG  48          1HB       ARG  48   9.478   0.132  -2.061
  388   2HB   ARG  48          2HB       ARG  48   8.316  -0.917  -2.869
  389   1HG   ARG  48          1HG       ARG  48  10.135  -1.525  -4.110
  390   2HG   ARG  48          2HG       ARG  48   9.748  -0.059  -5.011
  391   1HD   ARG  48          1HD       ARG  48  11.232   1.017  -3.029
  392   2HD   ARG  48          2HD       ARG  48  11.963  -0.583  -3.100
  393    HE   ARG  48           HE       ARG  48  11.680   0.645  -5.695
  394   1HH1  ARG  48          1HH1      ARG  48  13.686   0.424  -2.836
  395   2HH1  ARG  48          2HH1      ARG  48  15.128   0.885  -3.672
  396   1HH2  ARG  48          1HH2      ARG  48  13.583   1.242  -6.748
  397   2HH2  ARG  48          2HH2      ARG  48  15.071   1.345  -5.870
  398    H    GLN  49           H        GLN  49   6.710  -0.817  -4.008
  399    HA   GLN  49           HA       GLN  49   4.195   0.450  -3.320
  400   1HB   GLN  49          1HB       GLN  49   5.038  -2.117  -4.567
  401   2HB   GLN  49          2HB       GLN  49   3.483  -2.101  -3.736
  402   1HG   GLN  49          1HG       GLN  49   2.904  -1.438  -5.911
  403   2HG   GLN  49          2HG       GLN  49   3.065   0.103  -5.068
  404   2HE2  GLN  49          2HE2      GLN  49   4.865   1.474  -5.622
  405   1HE2  GLN  49          1HE2      GLN  49   5.891   1.134  -6.932
  406    H    VAL  50           H        VAL  50   2.764  -0.276  -1.683
  407    HA   VAL  50           HA       VAL  50   3.880  -2.072   0.361
  408    HB   VAL  50           HB       VAL  50   2.836   0.709   0.961
  409   1HG1  VAL  50          1HG1      VAL  50   3.865  -1.501   2.768
  410   2HG1  VAL  50          2HG1      VAL  50   3.538   0.150   3.292
  411   3HG1  VAL  50          3HG1      VAL  50   2.218  -0.872   2.722
  412   1HG2  VAL  50          1HG2      VAL  50   5.555  -0.508   0.723
  413   2HG2  VAL  50          2HG2      VAL  50   5.012   1.114   0.294
  414   3HG2  VAL  50          3HG2      VAL  50   5.293   0.697   1.984
  415    H    CYS  51           H        CYS  51   2.401  -3.605   0.536
  416    HA   CYS  51           HA       CYS  51  -0.372  -3.237  -0.102
  417   1HB   CYS  51          1HB       CYS  51   0.941  -5.511   1.411
  418   2HB   CYS  51          2HB       CYS  51  -0.643  -5.542   0.640
  419    H    ALA  52           H        ALA  52  -2.077  -2.819   1.235
  420    HA   ALA  52           HA       ALA  52  -1.986  -3.211   4.063
  421   1HB   ALA  52          1HB       ALA  52  -0.565  -1.041   3.498
  422   2HB   ALA  52          2HB       ALA  52  -2.166  -0.303   3.424
  423   3HB   ALA  52          3HB       ALA  52  -1.630  -1.100   4.904
  424    H    ASP  53           H        ASP  53  -4.004  -3.535   4.695
  425    HA   ASP  53           HA       ASP  53  -6.224  -3.135   2.969
  426   1HB   ASP  53          1HB       ASP  53  -5.816  -4.087   5.753
  427   2HB   ASP  53          2HB       ASP  53  -7.417  -3.451   5.376
  428    H    LYS  54           H        LYS  54  -8.262  -2.045   4.238
  429    HA   LYS  54           HA       LYS  54  -7.438   0.766   4.577
  430   1HB   LYS  54          1HB       LYS  54 -10.157  -0.420   3.959
  431   2HB   LYS  54          2HB       LYS  54  -9.809   1.302   4.112
  432   1HG   LYS  54          1HG       LYS  54  -9.518   1.135   1.844
  433   2HG   LYS  54          2HG       LYS  54  -7.900   0.627   2.327
  434   1HD   LYS  54          1HD       LYS  54  -8.770  -0.982   0.728
  435   2HD   LYS  54          2HD       LYS  54  -8.706  -1.748   2.316
  436   1HE   LYS  54          1HE       LYS  54 -11.007  -1.745   2.565
  437   2HE   LYS  54          2HE       LYS  54 -11.222  -0.333   1.531
  438   1HZ   LYS  54          1HZ       LYS  54 -10.555  -1.747  -0.368
  439   2HZ   LYS  54          2HZ       LYS  54 -10.555  -3.093   0.667
  440   3HZ   LYS  54          3HZ       LYS  54 -11.998  -2.251   0.372
  441    H    SER  55           H        SER  55  -8.983  -1.920   6.184
  442    HA   SER  55           HA       SER  55 -10.370  -0.635   8.230
  443   1HB   SER  55          1HB       SER  55  -9.165  -3.301   7.853
  444   2HB   SER  55          2HB       SER  55  -9.431  -2.823   9.526
  445    HG   SER  55           HG       SER  55 -11.407  -3.422   9.110
  446    H    LYS  56           H        LYS  56  -6.945  -0.934   7.730
  447    HA   LYS  56           HA       LYS  56  -5.975  -0.656  10.343
  448   1HB   LYS  56          1HB       LYS  56  -4.895   0.210   7.666
  449   2HB   LYS  56          2HB       LYS  56  -4.017   0.534   9.162
  450   1HG   LYS  56          1HG       LYS  56  -5.010  -2.231   8.443
  451   2HG   LYS  56          2HG       LYS  56  -3.419  -1.644   7.954
  452   1HD   LYS  56          1HD       LYS  56  -3.101  -1.041  10.456
  453   2HD   LYS  56          2HD       LYS  56  -4.468  -2.118  10.741
  454   1HE   LYS  56          1HE       LYS  56  -1.953  -2.899   9.239
  455   2HE   LYS  56          2HE       LYS  56  -2.268  -3.285  10.931
  456   1HZ   LYS  56          1HZ       LYS  56  -4.441  -4.274  10.013
  457   2HZ   LYS  56          2HZ       LYS  56  -3.632  -4.283   8.519
  458   3HZ   LYS  56          3HZ       LYS  56  -3.000  -5.157   9.828
  459    H    ASP  57           H        ASP  57  -4.596   1.501  10.808
  460    HA   ASP  57           HA       ASP  57  -6.614   3.650  10.908
  461   1HB   ASP  57          1HB       ASP  57  -4.363   2.827  12.691
  462   2HB   ASP  57          2HB       ASP  57  -4.819   4.531  12.648
  463    H    TRP  58           H        TRP  58  -3.107   3.188  10.456
  464    HA   TRP  58           HA       TRP  58  -2.655   5.851   9.568
  465   1HB   TRP  58          1HB       TRP  58  -0.447   5.047   8.835
  466   2HB   TRP  58          2HB       TRP  58  -0.821   4.534  10.476
  467    HD1  TRP  58           HD1      TRP  58  -1.461   1.942  10.841
  468    HE1  TRP  58           HE1      TRP  58  -0.818  -0.151   9.483
  469    HE3  TRP  58           HE3      TRP  58   0.002   4.137   6.478
  470    HZ2  TRP  58           HZ2      TRP  58   0.189  -0.811   6.872
  471    HZ3  TRP  58           HZ3      TRP  58   0.797   2.764   4.577
  472    HH2  TRP  58           HH2      TRP  58   0.891   0.298   4.770
  473    H    VAL  59           H        VAL  59  -3.706   2.955   7.954
  474    HA   VAL  59           HA       VAL  59  -3.101   3.904   5.298
  475    HB   VAL  59           HB       VAL  59  -4.973   1.692   6.178
  476   1HG1  VAL  59          1HG1      VAL  59  -4.033   2.729   3.544
  477   2HG1  VAL  59          2HG1      VAL  59  -4.109   0.977   3.730
  478   3HG1  VAL  59          3HG1      VAL  59  -5.559   1.952   3.965
  479   1HG2  VAL  59          1HG2      VAL  59  -2.061   1.657   5.323
  480   2HG2  VAL  59          2HG2      VAL  59  -2.666   1.330   6.947
  481   3HG2  VAL  59          3HG2      VAL  59  -3.045   0.225   5.625
  482    H    LYS  60           H        LYS  60  -5.791   4.071   7.528
  483    HA   LYS  60           HA       LYS  60  -7.788   4.873   5.676
  484   1HB   LYS  60          1HB       LYS  60  -8.082   4.086   8.116
  485   2HB   LYS  60          2HB       LYS  60  -7.709   5.752   8.556
  486   1HG   LYS  60          1HG       LYS  60  -9.543   6.508   7.020
  487   2HG   LYS  60          2HG       LYS  60  -9.966   4.816   6.763
  488   1HD   LYS  60          1HD       LYS  60 -10.096   4.677   9.352
  489   2HD   LYS  60          2HD       LYS  60 -10.170   6.439   9.294
  490   1HE   LYS  60          1HE       LYS  60 -12.047   6.063   7.523
  491   2HE   LYS  60          2HE       LYS  60 -12.128   4.434   8.195
  492   1HZ   LYS  60          1HZ       LYS  60 -12.302   5.559  10.428
  493   2HZ   LYS  60          2HZ       LYS  60 -12.577   7.006   9.588
  494   3HZ   LYS  60          3HZ       LYS  60 -13.655   5.705   9.412
  495    H    LYS  61           H        LYS  61  -5.561   6.694   7.765
  496    HA   LYS  61           HA       LYS  61  -6.490   9.274   7.079
  497   1HB   LYS  61          1HB       LYS  61  -4.782   8.464   8.931
  498   2HB   LYS  61          2HB       LYS  61  -3.594   8.822   7.677
  499   1HG   LYS  61          1HG       LYS  61  -4.142  11.094   7.616
  500   2HG   LYS  61          2HG       LYS  61  -5.742  10.826   8.309
  501   1HD   LYS  61          1HD       LYS  61  -4.258   9.920  10.355
  502   2HD   LYS  61          2HD       LYS  61  -3.103  11.065   9.672
  503   1HE   LYS  61          1HE       LYS  61  -4.282  12.465  11.098
  504   2HE   LYS  61          2HE       LYS  61  -5.217  12.662   9.614
  505   1HZ   LYS  61          1HZ       LYS  61  -6.546  10.672  10.508
  506   2HZ   LYS  61          2HZ       LYS  61  -5.860  11.067  12.008
  507   3HZ   LYS  61          3HZ       LYS  61  -6.821  12.204  11.188
  508    H    LEU  62           H        LEU  62  -3.980   7.204   5.679
  509    HA   LEU  62           HA       LEU  62  -2.994   9.061   3.788
  510   1HB   LEU  62          1HB       LEU  62  -3.137   6.056   3.609
  511   2HB   LEU  62          2HB       LEU  62  -2.194   7.086   2.557
  512    HG   LEU  62           HG       LEU  62  -1.728   7.155   5.519
  513   1HD1  LEU  62          1HD1      LEU  62  -1.100   4.971   3.586
  514   2HD1  LEU  62          2HD1      LEU  62   0.166   5.430   4.726
  515   3HD1  LEU  62          3HD1      LEU  62  -1.402   4.887   5.321
  516   1HD2  LEU  62          1HD2      LEU  62  -0.045   7.600   3.034
  517   2HD2  LEU  62          2HD2      LEU  62  -0.613   8.834   4.156
  518   3HD2  LEU  62          3HD2      LEU  62   0.589   7.653   4.679
  519    H    MET  63           H        MET  63  -5.520   6.597   3.613
  520    HA   MET  63           HA       MET  63  -6.222   6.778   0.929
  521   1HB   MET  63          1HB       MET  63  -7.807   6.171   3.406
  522   2HB   MET  63          2HB       MET  63  -8.613   6.281   1.841
  523   1HG   MET  63          1HG       MET  63  -6.504   4.718   1.163
  524   2HG   MET  63          2HG       MET  63  -6.698   4.242   2.849
  525   1HE   MET  63          1HE       MET  63  -7.102   3.533  -0.320
  526   2HE   MET  63          2HE       MET  63  -7.460   1.929   0.313
  527   3HE   MET  63          3HE       MET  63  -8.644   2.770  -0.695
  528    H    GLN  64           H        GLN  64  -7.053   8.899   3.604
  529    HA   GLN  64           HA       GLN  64  -8.849  10.508   1.970
  530   1HB   GLN  64          1HB       GLN  64  -7.802  10.984   4.772
  531   2HB   GLN  64          2HB       GLN  64  -9.088  11.895   3.979
  532   1HG   GLN  64          1HG       GLN  64 -10.184   9.534   3.647
  533   2HG   GLN  64          2HG       GLN  64  -9.113   9.056   4.964
  534   2HE2  GLN  64          2HE2      GLN  64  -9.335  10.301   7.041
  535   1HE2  GLN  64          1HE2      GLN  64 -10.827  11.020   7.416
  536    H    GLN  65           H        GLN  65  -5.543  10.565   3.123
  537    HA   GLN  65           HA       GLN  65  -5.023  13.305   2.470
  538   1HB   GLN  65          1HB       GLN  65  -3.384  10.940   3.258
  539   2HB   GLN  65          2HB       GLN  65  -2.567  12.310   2.509
  540   1HG   GLN  65          1HG       GLN  65  -4.510  13.065   4.599
  541   2HG   GLN  65          2HG       GLN  65  -3.151  12.112   5.190
  542   2HE2  GLN  65          2HE2      GLN  65  -4.053  15.190   3.706
  543   1HE2  GLN  65          1HE2      GLN  65  -2.537  15.929   3.897
  544    H    LEU  66           H        LEU  66  -4.574  10.213   0.824
  545    HA   LEU  66           HA       LEU  66  -3.676  11.662  -1.590
  546   1HB   LEU  66          1HB       LEU  66  -3.516   8.694  -1.270
  547   2HB   LEU  66          2HB       LEU  66  -2.555   9.746  -2.287
  548    HG   LEU  66           HG       LEU  66  -2.352   9.689   0.732
  549   1HD1  LEU  66          1HD1      LEU  66  -1.669   7.596  -0.837
  550   2HD1  LEU  66          2HD1      LEU  66  -0.206   8.568  -0.995
  551   3HD1  LEU  66          3HD1      LEU  66  -0.753   8.051   0.601
  552   1HD2  LEU  66          1HD2      LEU  66  -1.048  11.179  -1.492
  553   2HD2  LEU  66          2HD2      LEU  66  -1.347  11.678   0.173
  554   3HD2  LEU  66          3HD2      LEU  66   0.011  10.616  -0.199
  555    HA   PRO  67           HA       PRO  67  -7.581  10.515  -3.336
  556   1HB   PRO  67          1HB       PRO  67  -7.036  10.956  -5.984
  557   2HB   PRO  67          2HB       PRO  67  -7.327  12.247  -4.807
  558   1HG   PRO  67          1HG       PRO  67  -4.782  11.370  -6.044
  559   2HG   PRO  67          2HG       PRO  67  -5.238  12.956  -5.405
  560   1HD   PRO  67          1HD       PRO  67  -3.613  11.031  -4.106
  561   2HD   PRO  67          2HD       PRO  67  -4.316  12.489  -3.367
  562    H    VAL  68           H        VAL  68  -5.563   9.506  -6.076
  563    HA   VAL  68           HA       VAL  68  -5.177   6.833  -5.540
  564    HB   VAL  68           HB       VAL  68  -7.951   7.290  -5.749
  565   1HG1  VAL  68          1HG1      VAL  68  -6.978   5.887  -8.250
  566   2HG1  VAL  68          2HG1      VAL  68  -8.649   5.924  -7.685
  567   3HG1  VAL  68          3HG1      VAL  68  -7.854   7.417  -8.190
  568   1HG2  VAL  68          1HG2      VAL  68  -6.549   5.435  -4.652
  569   2HG2  VAL  68          2HG2      VAL  68  -8.117   4.978  -5.318
  570   3HG2  VAL  68          3HG2      VAL  68  -6.639   4.618  -6.212
  571    H    THR  69           H        THR  69  -3.955   5.963  -7.128
  572    HA   THR  69           HA       THR  69  -3.233   7.654  -9.346
  573    HB   THR  69           HB       THR  69  -1.506   6.319  -8.280
  574    HG1  THR  69           HG1      THR  69  -1.380   6.655 -10.549
  575   1HG2  THR  69          1HG2      THR  69  -3.349   4.037  -8.989
  576   2HG2  THR  69          2HG2      THR  69  -1.635   3.778  -8.666
  577   3HG2  THR  69          3HG2      THR  69  -2.677   4.451  -7.412
  578    H    ALA  70           H        ALA  70  -3.217   6.918 -11.586
  579    HA   ALA  70           HA       ALA  70  -4.994   4.788 -12.387
  580   1HB   ALA  70          1HB       ALA  70  -5.853   7.440 -13.441
  581   2HB   ALA  70          2HB       ALA  70  -6.367   7.002 -11.812
  582   3HB   ALA  70          3HB       ALA  70  -6.796   5.973 -13.178
  583    H    ARG  71           H        ARG  71  -2.231   5.593 -12.794
  584    HA   ARG  71           HA       ARG  71  -0.676   5.661 -14.487
  585   1HB   ARG  71          1HB       ARG  71  -3.001   4.937 -16.285
  586   2HB   ARG  71          2HB       ARG  71  -1.286   4.725 -16.638
  587   1HG   ARG  71          1HG       ARG  71  -1.714   2.610 -15.855
  588   2HG   ARG  71          2HG       ARG  71  -1.403   3.390 -14.303
  589   1HD   ARG  71          1HD       ARG  71  -3.632   3.425 -13.715
  590   2HD   ARG  71          2HD       ARG  71  -4.180   3.527 -15.385
  591    HE   ARG  71           HE       ARG  71  -4.247   1.211 -15.445
  592   1HH1  ARG  71          1HH1      ARG  71  -2.299   2.246 -12.728
  593   2HH1  ARG  71          2HH1      ARG  71  -2.132   0.645 -12.093
  594   1HH2  ARG  71          1HH2      ARG  71  -4.005  -0.859 -14.583
  595   2HH2  ARG  71          2HH2      ARG  71  -3.089  -1.098 -13.133

  No H/Q in entry =         595
  Start of MODEL   37
    1    H1   LEU   1           H1       LEU   1 -19.376  -3.583 -27.491
    2    H2   LEU   1           H2       LEU   1 -20.101  -3.119 -28.952
    3    H3   LEU   1           H3       LEU   1 -19.144  -4.522 -28.887
    4    HA   LEU   1           HA       LEU   1 -17.167  -3.348 -28.723
    5   1HB   LEU   1          1HB       LEU   1 -19.137  -1.957 -30.543
    6   2HB   LEU   1          2HB       LEU   1 -17.434  -1.499 -30.498
    7    HG   LEU   1           HG       LEU   1 -18.253  -4.378 -30.858
    8   1HD1  LEU   1          1HD1      LEU   1 -18.173  -2.157 -32.888
    9   2HD1  LEU   1          2HD1      LEU   1 -17.773  -3.807 -33.363
   10   3HD1  LEU   1          3HD1      LEU   1 -19.367  -3.441 -32.700
   11   1HD2  LEU   1          1HD2      LEU   1 -15.797  -2.693 -31.333
   12   2HD2  LEU   1          2HD2      LEU   1 -15.946  -4.183 -30.401
   13   3HD2  LEU   1          3HD2      LEU   1 -16.007  -4.235 -32.163
   14    H    GLY   2           H        GLY   2 -16.121  -1.994 -27.417
   15   1HA   GLY   2          1HA       GLY   2 -16.936   0.697 -26.920
   16   2HA   GLY   2          2HA       GLY   2 -15.625  -0.155 -26.109
   17    H    ALA   3           H        ALA   3 -16.441  -1.921 -24.552
   18    HA   ALA   3           HA       ALA   3 -18.107  -0.646 -22.596
   19   1HB   ALA   3          1HB       ALA   3 -19.227  -2.889 -24.250
   20   2HB   ALA   3          2HB       ALA   3 -19.708  -2.705 -22.564
   21   3HB   ALA   3          3HB       ALA   3 -20.012  -1.403 -23.714
   22    H    SER   4           H        SER   4 -18.680  -2.455 -20.843
   23    HA   SER   4           HA       SER   4 -17.835  -3.857 -19.229
   24   1HB   SER   4          1HB       SER   4 -17.858  -5.482 -21.144
   25   2HB   SER   4          2HB       SER   4 -16.184  -5.043 -21.470
   26    HG   SER   4           HG       SER   4 -16.444  -6.900 -20.091
   27    H    TRP   5           H        TRP   5 -15.775  -4.531 -18.125
   28    HA   TRP   5           HA       TRP   5 -13.394  -3.006 -18.802
   29   1HB   TRP   5          1HB       TRP   5 -13.305  -1.909 -16.554
   30   2HB   TRP   5          2HB       TRP   5 -14.601  -1.300 -17.582
   31    HD1  TRP   5           HD1      TRP   5 -17.071  -1.762 -16.866
   32    HE1  TRP   5           HE1      TRP   5 -18.141  -2.710 -14.721
   33    HE3  TRP   5           HE3      TRP   5 -12.922  -3.669 -14.579
   34    HZ2  TRP   5           HZ2      TRP   5 -17.343  -4.094 -12.348
   35    HZ3  TRP   5           HZ3      TRP   5 -13.105  -4.796 -12.379
   36    HH2  TRP   5           HH2      TRP   5 -15.309  -5.010 -11.261
   37    H    HIS   6           H        HIS   6 -11.554  -3.853 -17.910
   38    HA   HIS   6           HA       HIS   6 -11.925  -6.277 -16.253
   39   1HB   HIS   6          1HB       HIS   6  -9.712  -6.993 -17.177
   40   2HB   HIS   6          2HB       HIS   6 -10.971  -6.846 -18.402
   41    HD1  HIS   6           HD1      HIS   6 -10.064  -5.759 -20.445
   42    HD2  HIS   6           HD2      HIS   6  -8.361  -4.160 -16.991
   43    HE1  HIS   6           HE1      HIS   6  -8.475  -3.940 -21.206
   44    H    ARG   7           H        ARG   7  -9.655  -6.779 -15.147
   45    HA   ARG   7           HA       ARG   7  -8.456  -4.347 -14.037
   46   1HB   ARG   7          1HB       ARG   7 -10.186  -6.247 -12.527
   47   2HB   ARG   7          2HB       ARG   7  -8.738  -5.645 -11.720
   48   1HG   ARG   7          1HG       ARG   7  -9.447  -3.314 -12.285
   49   2HG   ARG   7          2HG       ARG   7 -10.947  -3.969 -12.945
   50   1HD   ARG   7          1HD       ARG   7 -11.787  -4.509 -10.876
   51   2HD   ARG   7          2HD       ARG   7 -10.195  -4.825 -10.195
   52    HE   ARG   7           HE       ARG   7 -10.464  -2.056 -10.762
   53   1HH1  ARG   7          1HH1      ARG   7 -11.592  -4.515  -8.540
   54   2HH1  ARG   7          2HH1      ARG   7 -11.853  -3.392  -7.251
   55   1HH2  ARG   7          1HH2      ARG   7 -10.819  -0.625  -9.054
   56   2HH2  ARG   7          2HH2      ARG   7 -11.419  -1.208  -7.537
   57    HA   PRO   8           HA       PRO   8  -4.894  -6.956 -13.913
   58   1HB   PRO   8          1HB       PRO   8  -3.460  -5.872 -11.856
   59   2HB   PRO   8          2HB       PRO   8  -3.670  -5.086 -13.429
   60   1HG   PRO   8          1HG       PRO   8  -4.896  -4.424 -10.821
   61   2HG   PRO   8          2HG       PRO   8  -4.597  -3.386 -12.223
   62   1HD   PRO   8          1HD       PRO   8  -7.083  -4.553 -11.468
   63   2HD   PRO   8          2HD       PRO   8  -6.727  -3.691 -12.984
   64    H    ASP   9           H        ASP   9  -3.520  -8.417 -12.551
   65    HA   ASP   9           HA       ASP   9  -5.022  -9.498 -10.240
   66   1HB   ASP   9          1HB       ASP   9  -5.168 -10.930 -12.312
   67   2HB   ASP   9          2HB       ASP   9  -3.420 -11.147 -12.204
   68    H    LYS  10           H        LYS  10  -3.666  -8.253  -8.856
   69    HA   LYS  10           HA       LYS  10  -0.853  -9.153  -8.750
   70   1HB   LYS  10          1HB       LYS  10  -1.445  -6.645  -8.967
   71   2HB   LYS  10          2HB       LYS  10  -1.940  -6.765  -7.278
   72   1HG   LYS  10          1HG       LYS  10   0.224  -7.232  -6.538
   73   2HG   LYS  10          2HG       LYS  10   0.740  -7.836  -8.113
   74   1HD   LYS  10          1HD       LYS  10  -0.112  -4.982  -7.963
   75   2HD   LYS  10          2HD       LYS  10   1.440  -5.402  -7.235
   76   1HE   LYS  10          1HE       LYS  10   2.016  -4.906  -9.462
   77   2HE   LYS  10          2HE       LYS  10   1.890  -6.665  -9.463
   78   1HZ   LYS  10          1HZ       LYS  10  -0.475  -5.023 -10.073
   79   2HZ   LYS  10          2HZ       LYS  10   0.688  -5.306 -11.279
   80   3HZ   LYS  10          3HZ       LYS  10  -0.121  -6.611 -10.552
   81    H    CYS  11           H        CYS  11  -3.654  -8.374  -6.724
   82    HA   CYS  11           HA       CYS  11  -4.329  -9.136  -4.663
   83   1HB   CYS  11          1HB       CYS  11  -2.566 -11.491  -5.359
   84   2HB   CYS  11          2HB       CYS  11  -3.830 -11.469  -4.132
   85    H    CYS  12           H        CYS  12  -3.548  -9.756  -2.468
   86    HA   CYS  12           HA       CYS  12  -0.808  -8.727  -2.009
   87   1HB   CYS  12          1HB       CYS  12  -3.371  -8.337  -0.499
   88   2HB   CYS  12          2HB       CYS  12  -1.838  -8.294   0.371
   89    H    LEU  13           H        LEU  13   0.353  -9.665  -0.226
   90    HA   LEU  13           HA       LEU  13  -0.517 -12.430   0.384
   91   1HB   LEU  13          1HB       LEU  13   1.860 -12.986   0.629
   92   2HB   LEU  13          2HB       LEU  13   1.468 -12.445  -0.988
   93    HG   LEU  13           HG       LEU  13   2.278 -10.098   0.091
   94   1HD1  LEU  13          1HD1      LEU  13   3.357 -12.288   1.782
   95   2HD1  LEU  13          2HD1      LEU  13   4.525 -11.074   1.260
   96   3HD1  LEU  13          3HD1      LEU  13   3.096 -10.589   2.172
   97   1HD2  LEU  13          1HD2      LEU  13   3.723 -12.328  -1.309
   98   2HD2  LEU  13          2HD2      LEU  13   3.278 -10.733  -1.916
   99   3HD2  LEU  13          3HD2      LEU  13   4.633 -10.907  -0.800
  100    H    GLY  14           H        GLY  14   1.090  -9.541   1.597
  101   1HA   GLY  14          1HA       GLY  14   1.884 -10.004   4.096
  102   2HA   GLY  14          2HA       GLY  14   0.138 -10.125   4.293
  103    H    TYR  15           H        TYR  15   0.011  -8.278   5.588
  104    HA   TYR  15           HA       TYR  15   0.013  -5.780   4.081
  105   1HB   TYR  15          1HB       TYR  15  -0.891  -6.345   6.914
  106   2HB   TYR  15          2HB       TYR  15  -1.123  -4.833   6.040
  107    HD1  TYR  15           HD1      TYR  15  -2.653  -4.693   4.142
  108    HD2  TYR  15           HD2      TYR  15  -2.181  -8.342   6.346
  109    HE1  TYR  15           HE1      TYR  15  -4.711  -5.574   3.101
  110    HE2  TYR  15           HE2      TYR  15  -4.246  -9.237   5.299
  111    HH   TYR  15           HH       TYR  15  -6.488  -7.378   3.780
  112    H    GLN  16           H        GLN  16   0.817  -3.802   5.156
  113    HA   GLN  16           HA       GLN  16   3.576  -3.945   5.636
  114   1HB   GLN  16          1HB       GLN  16   2.426  -1.881   4.894
  115   2HB   GLN  16          2HB       GLN  16   1.666  -1.747   6.472
  116   1HG   GLN  16          1HG       GLN  16   3.690  -0.293   6.225
  117   2HG   GLN  16          2HG       GLN  16   3.824  -1.445   7.547
  118   2HE2  GLN  16          2HE2      GLN  16   4.217  -2.439   4.150
  119   1HE2  GLN  16          1HE2      GLN  16   5.876  -2.764   4.268
  120    H    LYS  17           H        LYS  17   0.920  -3.410   7.918
  121    HA   LYS  17           HA       LYS  17   0.673  -4.136  10.109
  122   1HB   LYS  17          1HB       LYS  17   3.618  -4.811  10.218
  123   2HB   LYS  17          2HB       LYS  17   2.352  -5.317  11.332
  124   1HG   LYS  17          1HG       LYS  17   1.864  -6.027   8.501
  125   2HG   LYS  17          2HG       LYS  17   3.238  -6.842   9.245
  126   1HD   LYS  17          1HD       LYS  17   1.907  -7.856  10.894
  127   2HD   LYS  17          2HD       LYS  17   0.598  -6.692  10.685
  128   1HE   LYS  17          1HE       LYS  17   0.587  -7.702   8.215
  129   2HE   LYS  17          2HE       LYS  17   1.278  -9.096   9.046
  130   1HZ   LYS  17          1HZ       LYS  17  -1.175  -7.725   9.983
  131   2HZ   LYS  17          2HZ       LYS  17  -1.214  -9.028   8.898
  132   3HZ   LYS  17          3HZ       LYS  17  -0.580  -9.244  10.459
  133    H    ARG  18           H        ARG  18   3.635  -2.361   9.288
  134    HA   ARG  18           HA       ARG  18   3.276  -0.706  11.693
  135   1HB   ARG  18          1HB       ARG  18   5.598  -0.761   9.747
  136   2HB   ARG  18          2HB       ARG  18   5.536   0.093  11.289
  137   1HG   ARG  18          1HG       ARG  18   5.060  -2.876  11.186
  138   2HG   ARG  18          2HG       ARG  18   6.705  -2.240  11.197
  139   1HD   ARG  18          1HD       ARG  18   5.923  -0.830  13.225
  140   2HD   ARG  18          2HD       ARG  18   4.565  -1.948  13.299
  141    HE   ARG  18           HE       ARG  18   6.945  -3.451  13.169
  142   1HH1  ARG  18          1HH1      ARG  18   5.268  -1.283  15.346
  143   2HH1  ARG  18          2HH1      ARG  18   5.942  -2.004  16.766
  144   1HH2  ARG  18          1HH2      ARG  18   7.802  -4.362  15.046
  145   2HH2  ARG  18          2HH2      ARG  18   7.365  -3.732  16.600
  146    HA   PRO  19           HA       PRO  19   1.779   2.551   9.100
  147   1HB   PRO  19          1HB       PRO  19   2.104   4.662  10.802
  148   2HB   PRO  19          2HB       PRO  19   0.842   3.436  10.982
  149   1HG   PRO  19          1HG       PRO  19   3.288   3.845  12.575
  150   2HG   PRO  19          2HG       PRO  19   1.782   3.027  13.012
  151   1HD   PRO  19          1HD       PRO  19   4.244   1.801  12.226
  152   2HD   PRO  19          2HD       PRO  19   2.688   0.995  12.529
  153    H    LEU  20           H        LEU  20   2.586   3.749   7.479
  154    HA   LEU  20           HA       LEU  20   5.383   4.683   7.684
  155   1HB   LEU  20          1HB       LEU  20   4.030   4.701   5.054
  156   2HB   LEU  20          2HB       LEU  20   5.676   4.279   5.466
  157    HG   LEU  20           HG       LEU  20   3.221   2.525   5.686
  158   1HD1  LEU  20          1HD1      LEU  20   5.659   2.649   3.927
  159   2HD1  LEU  20          2HD1      LEU  20   4.845   1.108   4.198
  160   3HD1  LEU  20          3HD1      LEU  20   3.968   2.452   3.466
  161   1HD2  LEU  20          1HD2      LEU  20   5.898   2.366   6.970
  162   2HD2  LEU  20          2HD2      LEU  20   4.359   1.683   7.490
  163   3HD2  LEU  20          3HD2      LEU  20   5.300   0.879   6.235
  164    HA   PRO  21           HA       PRO  21   3.878   8.840   7.405
  165   1HB   PRO  21          1HB       PRO  21   6.120  10.103   6.477
  166   2HB   PRO  21          2HB       PRO  21   5.948   9.496   8.133
  167   1HG   PRO  21          1HG       PRO  21   7.562   8.419   5.903
  168   2HG   PRO  21          2HG       PRO  21   7.787   8.237   7.649
  169   1HD   PRO  21          1HD       PRO  21   6.669   6.315   5.863
  170   2HD   PRO  21          2HD       PRO  21   6.714   6.223   7.639
  171    H    GLN  22           H        GLN  22   2.694   9.979   5.957
  172    HA   GLN  22           HA       GLN  22   2.576   9.233   3.216
  173   1HB   GLN  22          1HB       GLN  22   0.712  10.263   4.624
  174   2HB   GLN  22          2HB       GLN  22   1.509  11.813   4.358
  175   1HG   GLN  22          1HG       GLN  22   1.074  10.131   1.946
  176   2HG   GLN  22          2HG       GLN  22  -0.370  10.829   2.681
  177   2HE2  GLN  22          2HE2      GLN  22   1.693  11.487   0.257
  178   1HE2  GLN  22          1HE2      GLN  22   1.748  13.181   0.341
  179    H    VAL  23           H        VAL  23   4.701  11.324   4.891
  180    HA   VAL  23           HA       VAL  23   5.175  13.385   3.109
  181    HB   VAL  23           HB       VAL  23   6.172  13.236   5.364
  182   1HG1  VAL  23          1HG1      VAL  23   6.839  10.694   4.737
  183   2HG1  VAL  23          2HG1      VAL  23   8.375  11.490   4.400
  184   3HG1  VAL  23          3HG1      VAL  23   7.652  11.613   6.004
  185   1HG2  VAL  23          1HG2      VAL  23   7.225  14.465   3.235
  186   2HG2  VAL  23          2HG2      VAL  23   8.026  14.479   4.807
  187   3HG2  VAL  23          3HG2      VAL  23   8.545  13.342   3.562
  188    H    LEU  24           H        LEU  24   6.245  10.059   2.971
  189    HA   LEU  24           HA       LEU  24   7.804  10.612   0.533
  190   1HB   LEU  24          1HB       LEU  24   8.660   8.358   0.786
  191   2HB   LEU  24          2HB       LEU  24   8.886   9.259   2.269
  192    HG   LEU  24           HG       LEU  24   6.639   8.108   2.983
  193   1HD1  LEU  24          1HD1      LEU  24   7.194   6.865   0.421
  194   2HD1  LEU  24          2HD1      LEU  24   7.197   5.656   1.703
  195   3HD1  LEU  24          3HD1      LEU  24   5.784   6.682   1.463
  196   1HD2  LEU  24          1HD2      LEU  24   8.910   7.759   3.963
  197   2HD2  LEU  24          2HD2      LEU  24   7.929   6.292   3.959
  198   3HD2  LEU  24          3HD2      LEU  24   9.200   6.506   2.755
  199    H    LEU  25           H        LEU  25   5.008   8.932   1.781
  200    HA   LEU  25           HA       LEU  25   4.406   7.261  -0.370
  201   1HB   LEU  25          1HB       LEU  25   3.262   7.716   2.013
  202   2HB   LEU  25          2HB       LEU  25   2.143   8.594   0.997
  203    HG   LEU  25           HG       LEU  25   1.580   6.591  -0.224
  204   1HD1  LEU  25          1HD1      LEU  25   3.976   5.495   1.219
  205   2HD1  LEU  25          2HD1      LEU  25   2.680   4.399   0.742
  206   3HD1  LEU  25          3HD1      LEU  25   3.534   5.339  -0.481
  207   1HD2  LEU  25          1HD2      LEU  25   1.575   6.537   2.763
  208   2HD2  LEU  25          2HD2      LEU  25   0.216   6.570   1.640
  209   3HD2  LEU  25          3HD2      LEU  25   1.090   5.065   1.922
  210    H    SER  26           H        SER  26   2.966   7.433  -2.100
  211    HA   SER  26           HA       SER  26   2.589  10.205  -3.076
  212   1HB   SER  26          1HB       SER  26   4.151   8.377  -4.277
  213   2HB   SER  26          2HB       SER  26   2.610   7.963  -5.023
  214    HG   SER  26           HG       SER  26   2.600   9.822  -6.038
  215    H    SER  27           H        SER  27   1.294   6.973  -3.901
  216    HA   SER  27           HA       SER  27  -1.428   7.939  -3.377
  217   1HB   SER  27          1HB       SER  27  -0.372   7.974  -5.970
  218   2HB   SER  27          2HB       SER  27  -1.358   6.518  -5.913
  219    HG   SER  27           HG       SER  27  -2.076   9.207  -5.526
  220    H    TRP  28           H        TRP  28  -2.781   5.808  -4.580
  221    HA   TRP  28           HA       TRP  28  -1.642   3.290  -3.712
  222   1HB   TRP  28          1HB       TRP  28  -3.569   2.826  -2.141
  223   2HB   TRP  28          2HB       TRP  28  -2.400   4.000  -1.547
  224    HD1  TRP  28           HD1      TRP  28  -3.113   6.567  -1.530
  225    HE1  TRP  28           HE1      TRP  28  -5.423   7.710  -1.546
  226    HE3  TRP  28           HE3      TRP  28  -6.034   2.630  -2.995
  227    HZ2  TRP  28           HZ2      TRP  28  -8.148   7.040  -2.121
  228    HZ3  TRP  28           HZ3      TRP  28  -8.476   2.917  -3.267
  229    HH2  TRP  28           HH2      TRP  28  -9.538   5.113  -2.829
  230    H    TYR  29           H        TYR  29  -2.562   1.606  -4.776
  231    HA   TYR  29           HA       TYR  29  -5.027   2.209  -6.302
  232   1HB   TYR  29          1HB       TYR  29  -4.262   0.781  -8.104
  233   2HB   TYR  29          2HB       TYR  29  -3.047   2.009  -7.785
  234    HD1  TYR  29           HD1      TYR  29  -1.032   1.371  -6.313
  235    HD2  TYR  29           HD2      TYR  29  -3.741  -1.511  -7.992
  236    HE1  TYR  29           HE1      TYR  29   0.668  -0.405  -6.012
  237    HE2  TYR  29           HE2      TYR  29  -2.039  -3.287  -7.688
  238    HH   TYR  29           HH       TYR  29   0.882  -3.014  -7.474
  239    HA   PRO  30           HA       PRO  30  -6.643  -1.290  -4.122
  240   1HB   PRO  30          1HB       PRO  30  -8.961  -1.622  -5.528
  241   2HB   PRO  30          2HB       PRO  30  -8.698  -0.322  -4.355
  242   1HG   PRO  30          1HG       PRO  30  -8.785  -0.195  -7.309
  243   2HG   PRO  30          2HG       PRO  30  -9.125   1.066  -6.115
  244   1HD   PRO  30          1HD       PRO  30  -6.739   0.770  -7.632
  245   2HD   PRO  30          2HD       PRO  30  -7.000   1.882  -6.267
  246    H    THR  31           H        THR  31  -6.980  -3.525  -4.286
  247    HA   THR  31           HA       THR  31  -6.054  -4.727  -6.821
  248    HB   THR  31           HB       THR  31  -4.612  -5.244  -4.925
  249    HG1  THR  31           HG1      THR  31  -4.956  -6.895  -6.417
  250   1HG2  THR  31          1HG2      THR  31  -7.142  -6.311  -3.645
  251   2HG2  THR  31          2HG2      THR  31  -5.516  -6.527  -2.997
  252   3HG2  THR  31          3HG2      THR  31  -6.214  -4.912  -3.109
  253    H    SER  32           H        SER  32  -6.879  -7.151  -6.889
  254    HA   SER  32           HA       SER  32  -9.711  -6.983  -7.302
  255   1HB   SER  32          1HB       SER  32  -7.813  -8.493  -8.448
  256   2HB   SER  32          2HB       SER  32  -8.382  -9.643  -7.240
  257    HG   SER  32           HG       SER  32 -10.156  -9.864  -8.340
  258    H    GLN  33           H        GLN  33 -11.329  -8.285  -6.319
  259    HA   GLN  33           HA       GLN  33 -10.925  -8.603  -3.452
  260   1HB   GLN  33          1HB       GLN  33 -13.275  -8.512  -5.284
  261   2HB   GLN  33          2HB       GLN  33 -13.455  -9.388  -3.764
  262   1HG   GLN  33          1HG       GLN  33 -12.246  -7.180  -2.823
  263   2HG   GLN  33          2HG       GLN  33 -13.037  -6.476  -4.235
  264   2HE2  GLN  33          2HE2      GLN  33 -13.542  -7.380  -0.988
  265   1HE2  GLN  33          1HE2      GLN  33 -15.238  -7.333  -0.990
  266    H    LEU  34           H        LEU  34 -11.326 -10.580  -6.310
  267    HA   LEU  34           HA       LEU  34 -12.025 -13.029  -5.156
  268   1HB   LEU  34          1HB       LEU  34 -10.388 -12.372  -7.592
  269   2HB   LEU  34          2HB       LEU  34 -10.753 -14.020  -7.133
  270    HG   LEU  34           HG       LEU  34 -12.333 -13.430  -8.802
  271   1HD1  LEU  34          1HD1      LEU  34 -13.184 -14.426  -6.540
  272   2HD1  LEU  34          2HD1      LEU  34 -13.927 -12.841  -6.319
  273   3HD1  LEU  34          3HD1      LEU  34 -14.365 -13.835  -7.710
  274   1HD2  LEU  34          1HD2      LEU  34 -11.877 -10.907  -8.404
  275   2HD2  LEU  34          2HD2      LEU  34 -13.492 -11.378  -8.932
  276   3HD2  LEU  34          3HD2      LEU  34 -13.193 -11.000  -7.235
  277    H    CYS  35           H        CYS  35  -9.011 -11.301  -5.095
  278    HA   CYS  35           HA       CYS  35  -7.190 -13.391  -4.665
  279   1HB   CYS  35          1HB       CYS  35  -7.099 -10.657  -3.367
  280   2HB   CYS  35          2HB       CYS  35  -5.739 -11.740  -3.652
  281    H    SER  36           H        SER  36  -6.685 -14.642  -2.946
  282    HA   SER  36           HA       SER  36  -8.505 -14.976  -0.814
  283   1HB   SER  36          1HB       SER  36  -5.600 -15.822  -0.876
  284   2HB   SER  36          2HB       SER  36  -6.871 -16.493   0.143
  285    HG   SER  36           HG       SER  36  -6.245 -17.517  -2.023
  286    H    LYS  37           H        LYS  37  -5.538 -13.143  -1.147
  287    HA   LYS  37           HA       LYS  37  -5.982 -11.986   1.543
  288   1HB   LYS  37          1HB       LYS  37  -3.498 -12.853   0.144
  289   2HB   LYS  37          2HB       LYS  37  -3.406 -11.379   1.108
  290   1HG   LYS  37          1HG       LYS  37  -4.554 -13.973   2.164
  291   2HG   LYS  37          2HG       LYS  37  -2.861 -13.515   2.363
  292   1HD   LYS  37          1HD       LYS  37  -4.875 -11.462   3.120
  293   2HD   LYS  37          2HD       LYS  37  -4.768 -12.876   4.169
  294   1HE   LYS  37          1HE       LYS  37  -2.226 -11.547   3.317
  295   2HE   LYS  37          2HE       LYS  37  -3.198 -10.774   4.569
  296   1HZ   LYS  37          1HZ       LYS  37  -3.174 -12.858   5.807
  297   2HZ   LYS  37          2HZ       LYS  37  -2.202 -13.571   4.613
  298   3HZ   LYS  37          3HZ       LYS  37  -1.599 -12.281   5.541
  299    HA   PRO  38           HA       PRO  38  -6.470  -8.591  -1.504
  300   1HB   PRO  38          1HB       PRO  38  -8.481  -7.302  -0.178
  301   2HB   PRO  38          2HB       PRO  38  -8.742  -8.645  -1.303
  302   1HG   PRO  38          1HG       PRO  38  -8.894  -8.615   1.656
  303   2HG   PRO  38          2HG       PRO  38  -9.725  -9.659   0.494
  304   1HD   PRO  38          1HD       PRO  38  -7.458 -10.354   2.039
  305   2HD   PRO  38          2HD       PRO  38  -8.113 -11.270   0.662
  306    H    GLY  39           H        GLY  39  -7.023  -6.069  -0.762
  307   1HA   GLY  39          1HA       GLY  39  -4.860  -5.400   1.142
  308   2HA   GLY  39          2HA       GLY  39  -6.400  -4.543   1.168
  309    H    VAL  40           H        VAL  40  -5.740  -2.520   0.540
  310    HA   VAL  40           HA       VAL  40  -5.105  -2.180  -2.256
  311    HB   VAL  40           HB       VAL  40  -5.218  -0.067  -0.086
  312   1HG1  VAL  40          1HG1      VAL  40  -4.221   0.177  -2.604
  313   2HG1  VAL  40          2HG1      VAL  40  -5.923   0.520  -2.903
  314   3HG1  VAL  40          3HG1      VAL  40  -5.019   1.486  -1.739
  315   1HG2  VAL  40          1HG2      VAL  40  -7.336  -1.353  -1.800
  316   2HG2  VAL  40          2HG2      VAL  40  -7.374  -1.013  -0.069
  317   3HG2  VAL  40          3HG2      VAL  40  -7.525   0.305  -1.232
  318    H    ILE  41           H        ILE  41  -3.213  -1.627  -3.158
  319    HA   ILE  41           HA       ILE  41  -0.829  -1.773  -1.462
  320    HB   ILE  41           HB       ILE  41  -1.269  -1.962  -4.448
  321   1HG1  ILE  41          1HG1      ILE  41  -0.105  -4.191  -3.975
  322   2HG1  ILE  41          2HG1      ILE  41  -0.339  -3.830  -2.265
  323   1HG2  ILE  41          1HG2      ILE  41   1.377  -1.965  -2.959
  324   2HG2  ILE  41          2HG2      ILE  41   1.167  -2.315  -4.673
  325   3HG2  ILE  41          3HG2      ILE  41   0.825  -0.698  -4.057
  326   1HD1  ILE  41          1HD1      ILE  41  -2.720  -3.528  -4.019
  327   2HD1  ILE  41          2HD1      ILE  41  -2.165  -5.175  -3.722
  328   3HD1  ILE  41          3HD1      ILE  41  -2.607  -4.136  -2.368
  329    H    PHE  42           H        PHE  42   0.332  -0.040  -0.950
  330    HA   PHE  42           HA       PHE  42  -0.477   2.561  -2.033
  331   1HB   PHE  42          1HB       PHE  42   0.853   1.604   0.442
  332   2HB   PHE  42          2HB       PHE  42   1.434   3.146  -0.185
  333    HD1  PHE  42           HD1      PHE  42  -1.482   1.330   1.160
  334    HD2  PHE  42           HD2      PHE  42  -0.006   5.098  -0.280
  335    HE1  PHE  42           HE1      PHE  42  -3.482   2.468   2.085
  336    HE2  PHE  42           HE2      PHE  42  -2.006   6.235   0.642
  337    HZ   PHE  42           HZ       PHE  42  -3.742   4.920   1.829
  338    H    LEU  43           H        LEU  43   0.646   3.533  -3.578
  339    HA   LEU  43           HA       LEU  43   3.322   2.507  -4.252
  340   1HB   LEU  43          1HB       LEU  43   1.454   4.324  -5.775
  341   2HB   LEU  43          2HB       LEU  43   3.033   3.818  -6.336
  342    HG   LEU  43           HG       LEU  43   0.945   1.766  -5.662
  343   1HD1  LEU  43          1HD1      LEU  43   1.103   3.568  -8.062
  344   2HD1  LEU  43          2HD1      LEU  43   0.537   1.908  -8.252
  345   3HD1  LEU  43          3HD1      LEU  43  -0.320   3.016  -7.179
  346   1HD2  LEU  43          1HD2      LEU  43   3.491   1.406  -6.250
  347   2HD2  LEU  43          2HD2      LEU  43   2.269   0.355  -6.967
  348   3HD2  LEU  43          3HD2      LEU  43   2.943   1.690  -7.903
  349    H    THR  44           H        THR  44   4.757   3.518  -2.916
  350    HA   THR  44           HA       THR  44   4.533   6.195  -2.026
  351    HB   THR  44           HB       THR  44   6.861   5.970  -1.333
  352    HG1  THR  44           HG1      THR  44   6.768   3.662  -2.975
  353   1HG2  THR  44          1HG2      THR  44   4.943   3.714  -0.937
  354   2HG2  THR  44          2HG2      THR  44   6.588   3.516  -0.330
  355   3HG2  THR  44          3HG2      THR  44   5.592   4.855   0.241
  356    H    LYS  45           H        LYS  45   6.214   7.891  -2.547
  357    HA   LYS  45           HA       LYS  45   5.977   8.696  -5.227
  358   1HB   LYS  45          1HB       LYS  45   7.827   9.565  -3.010
  359   2HB   LYS  45          2HB       LYS  45   7.877  10.301  -4.612
  360   1HG   LYS  45          1HG       LYS  45   5.796  11.281  -4.382
  361   2HG   LYS  45          2HG       LYS  45   5.215  10.034  -3.277
  362   1HD   LYS  45          1HD       LYS  45   5.544  11.673  -1.714
  363   2HD   LYS  45          2HD       LYS  45   7.205  11.082  -1.772
  364   1HE   LYS  45          1HE       LYS  45   7.426  12.791  -3.770
  365   2HE   LYS  45          2HE       LYS  45   6.031  13.553  -3.005
  366   1HZ   LYS  45          1HZ       LYS  45   8.432  12.814  -1.450
  367   2HZ   LYS  45          2HZ       LYS  45   8.331  14.298  -2.265
  368   3HZ   LYS  45          3HZ       LYS  45   7.208  13.921  -1.048
  369    H    ARG  46           H        ARG  46   8.893   7.551  -3.519
  370    HA   ARG  46           HA       ARG  46   9.898   6.528  -6.106
  371   1HB   ARG  46          1HB       ARG  46  10.981   8.697  -5.139
  372   2HB   ARG  46          2HB       ARG  46  11.756   7.583  -4.012
  373   1HG   ARG  46          1HG       ARG  46  12.451   6.221  -6.063
  374   2HG   ARG  46          2HG       ARG  46  11.961   7.615  -7.026
  375   1HD   ARG  46          1HD       ARG  46  14.017   7.645  -4.801
  376   2HD   ARG  46          2HD       ARG  46  14.375   7.691  -6.524
  377    HE   ARG  46           HE       ARG  46  12.708   9.826  -6.156
  378   1HH1  ARG  46          1HH1      ARG  46  15.674   8.767  -4.628
  379   2HH1  ARG  46          2HH1      ARG  46  16.187  10.374  -4.250
  380   1HH2  ARG  46          1HH2      ARG  46  13.415  11.906  -5.645
  381   2HH2  ARG  46          2HH2      ARG  46  14.919  12.137  -4.820
  382    H    GLY  47           H        GLY  47   8.905   5.631  -3.071
  383   1HA   GLY  47          1HA       GLY  47   9.426   3.906  -1.626
  384   2HA   GLY  47          2HA       GLY  47  10.999   3.777  -2.407
  385    H    ARG  48           H        ARG  48   8.022   2.323  -1.969
  386    HA   ARG  48           HA       ARG  48   7.978   0.865  -4.493
  387   1HB   ARG  48          1HB       ARG  48   9.171  -0.225  -2.025
  388   2HB   ARG  48          2HB       ARG  48   7.985  -1.281  -2.787
  389   1HG   ARG  48          1HG       ARG  48   9.188  -1.275  -4.865
  390   2HG   ARG  48          2HG       ARG  48  10.248   0.023  -4.316
  391   1HD   ARG  48          1HD       ARG  48  10.096  -2.645  -2.907
  392   2HD   ARG  48          2HD       ARG  48  11.220  -2.342  -4.227
  393    HE   ARG  48           HE       ARG  48  11.525  -0.283  -2.336
  394   1HH1  ARG  48          1HH1      ARG  48  12.040  -3.735  -2.614
  395   2HH1  ARG  48          2HH1      ARG  48  13.347  -3.745  -1.482
  396   1HH2  ARG  48          1HH2      ARG  48  13.233  -0.343  -0.865
  397   2HH2  ARG  48          2HH2      ARG  48  14.017  -1.842  -0.497
  398    H    GLN  49           H        GLN  49   6.395  -1.202  -3.945
  399    HA   GLN  49           HA       GLN  49   3.861   0.047  -3.311
  400   1HB   GLN  49          1HB       GLN  49   4.751  -2.580  -4.417
  401   2HB   GLN  49          2HB       GLN  49   3.160  -2.496  -3.661
  402   1HG   GLN  49          1HG       GLN  49   2.700  -1.945  -5.898
  403   2HG   GLN  49          2HG       GLN  49   2.837  -0.365  -5.128
  404   2HE2  GLN  49          2HE2      GLN  49   3.860  -2.059  -7.814
  405   1HE2  GLN  49          1HE2      GLN  49   5.291  -1.207  -8.145
  406    H    VAL  50           H        VAL  50   2.373  -0.798  -1.709
  407    HA   VAL  50           HA       VAL  50   3.508  -2.478   0.401
  408    HB   VAL  50           HB       VAL  50   2.502   0.326   0.946
  409   1HG1  VAL  50          1HG1      VAL  50   2.974  -2.052   2.644
  410   2HG1  VAL  50          2HG1      VAL  50   3.698  -0.559   3.244
  411   3HG1  VAL  50          3HG1      VAL  50   1.962  -0.640   2.943
  412   1HG2  VAL  50          1HG2      VAL  50   5.259  -0.927   1.092
  413   2HG2  VAL  50          2HG2      VAL  50   4.745   0.374   0.017
  414   3HG2  VAL  50          3HG2      VAL  50   4.857   0.657   1.755
  415    H    CYS  51           H        CYS  51   2.007  -3.970   0.735
  416    HA   CYS  51           HA       CYS  51  -0.774  -3.593   0.110
  417   1HB   CYS  51          1HB       CYS  51   0.826  -5.778   1.428
  418   2HB   CYS  51          2HB       CYS  51  -0.935  -5.818   1.463
  419    H    ALA  52           H        ALA  52  -2.335  -2.772   1.422
  420    HA   ALA  52           HA       ALA  52  -1.941  -2.868   4.327
  421   1HB   ALA  52          1HB       ALA  52  -1.003  -0.678   3.217
  422   2HB   ALA  52          2HB       ALA  52  -2.706  -0.227   3.168
  423   3HB   ALA  52          3HB       ALA  52  -1.936  -0.596   4.711
  424    H    ASP  53           H        ASP  53  -3.775  -3.160   5.412
  425    HA   ASP  53           HA       ASP  53  -6.267  -3.398   3.955
  426   1HB   ASP  53          1HB       ASP  53  -5.269  -4.111   6.644
  427   2HB   ASP  53          2HB       ASP  53  -6.961  -3.620   6.601
  428    H    LYS  54           H        LYS  54  -7.659  -1.785   3.633
  429    HA   LYS  54           HA       LYS  54  -7.265   0.846   4.499
  430   1HB   LYS  54          1HB       LYS  54  -9.634   1.227   3.806
  431   2HB   LYS  54          2HB       LYS  54  -8.685   0.372   2.591
  432   1HG   LYS  54          1HG       LYS  54  -9.639  -1.745   3.219
  433   2HG   LYS  54          2HG       LYS  54 -10.409  -1.040   4.640
  434   1HD   LYS  54          1HD       LYS  54 -11.057   0.155   1.981
  435   2HD   LYS  54          2HD       LYS  54 -11.763  -1.415   2.367
  436   1HE   LYS  54          1HE       LYS  54 -13.375  -0.092   3.328
  437   2HE   LYS  54          2HE       LYS  54 -12.257  -0.151   4.691
  438   1HZ   LYS  54          1HZ       LYS  54 -11.938   1.917   2.622
  439   2HZ   LYS  54          2HZ       LYS  54 -13.106   2.118   3.839
  440   3HZ   LYS  54          3HZ       LYS  54 -11.467   1.949   4.252
  441    H    SER  55           H        SER  55  -8.882  -1.829   6.050
  442    HA   SER  55           HA       SER  55 -10.473  -0.449   7.905
  443   1HB   SER  55          1HB       SER  55  -9.337  -3.162   7.690
  444   2HB   SER  55          2HB       SER  55  -9.740  -2.642   9.322
  445    HG   SER  55           HG       SER  55 -11.720  -3.055   8.783
  446    H    LYS  56           H        LYS  56  -7.030  -0.883   7.738
  447    HA   LYS  56           HA       LYS  56  -6.293  -0.587  10.421
  448   1HB   LYS  56          1HB       LYS  56  -4.852   0.496   7.987
  449   2HB   LYS  56          2HB       LYS  56  -4.142   0.219   9.577
  450   1HG   LYS  56          1HG       LYS  56  -5.556  -2.086   8.339
  451   2HG   LYS  56          2HG       LYS  56  -4.026  -1.612   7.601
  452   1HD   LYS  56          1HD       LYS  56  -2.964  -1.695   9.866
  453   2HD   LYS  56          2HD       LYS  56  -4.484  -2.312  10.515
  454   1HE   LYS  56          1HE       LYS  56  -3.194  -3.675   8.166
  455   2HE   LYS  56          2HE       LYS  56  -2.627  -4.013   9.801
  456   1HZ   LYS  56          1HZ       LYS  56  -5.088  -4.363  10.322
  457   2HZ   LYS  56          2HZ       LYS  56  -5.299  -4.485   8.641
  458   3HZ   LYS  56          3HZ       LYS  56  -4.284  -5.578   9.449
  459    H    ASP  57           H        ASP  57  -4.815   1.571  10.868
  460    HA   ASP  57           HA       ASP  57  -6.802   3.747  10.882
  461   1HB   ASP  57          1HB       ASP  57  -4.513   3.014  12.676
  462   2HB   ASP  57          2HB       ASP  57  -5.092   4.679  12.628
  463    H    TRP  58           H        TRP  58  -3.242   3.433  10.703
  464    HA   TRP  58           HA       TRP  58  -2.835   6.012   9.640
  465   1HB   TRP  58          1HB       TRP  58  -0.587   5.214   9.000
  466   2HB   TRP  58          2HB       TRP  58  -0.998   4.795  10.660
  467    HD1  TRP  58           HD1      TRP  58  -1.553   2.231  11.188
  468    HE1  TRP  58           HE1      TRP  58  -0.863   0.066   9.972
  469    HE3  TRP  58           HE3      TRP  58  -0.144   4.162   6.683
  470    HZ2  TRP  58           HZ2      TRP  58   0.155  -0.743   7.408
  471    HZ3  TRP  58           HZ3      TRP  58   0.685   2.682   4.879
  472    HH2  TRP  58           HH2      TRP  58   0.833   0.237   5.235
  473    H    VAL  59           H        VAL  59  -3.608   2.957   8.127
  474    HA   VAL  59           HA       VAL  59  -2.975   3.748   5.456
  475    HB   VAL  59           HB       VAL  59  -4.965   1.657   6.364
  476   1HG1  VAL  59          1HG1      VAL  59  -4.769   2.568   3.879
  477   2HG1  VAL  59          2HG1      VAL  59  -3.333   1.544   3.850
  478   3HG1  VAL  59          3HG1      VAL  59  -4.913   0.838   4.188
  479   1HG2  VAL  59          1HG2      VAL  59  -2.691   1.361   7.344
  480   2HG2  VAL  59          2HG2      VAL  59  -3.094   0.087   6.192
  481   3HG2  VAL  59          3HG2      VAL  59  -2.012   1.396   5.716
  482    H    LYS  60           H        LYS  60  -5.775   4.048   7.539
  483    HA   LYS  60           HA       LYS  60  -7.642   4.826   5.538
  484   1HB   LYS  60          1HB       LYS  60  -8.081   4.090   7.988
  485   2HB   LYS  60          2HB       LYS  60  -7.765   5.778   8.390
  486   1HG   LYS  60          1HG       LYS  60  -9.560   6.536   6.983
  487   2HG   LYS  60          2HG       LYS  60  -9.766   4.931   6.282
  488   1HD   LYS  60          1HD       LYS  60 -10.710   4.054   8.250
  489   2HD   LYS  60          2HD       LYS  60 -10.062   5.355   9.250
  490   1HE   LYS  60          1HE       LYS  60 -12.223   6.119   9.070
  491   2HE   LYS  60          2HE       LYS  60 -11.575   6.831   7.592
  492   1HZ   LYS  60          1HZ       LYS  60 -12.758   4.120   7.641
  493   2HZ   LYS  60          2HZ       LYS  60 -13.704   5.508   7.387
  494   3HZ   LYS  60          3HZ       LYS  60 -12.464   5.118   6.298
  495    H    LYS  61           H        LYS  61  -5.447   6.610   7.667
  496    HA   LYS  61           HA       LYS  61  -6.299   9.214   6.980
  497   1HB   LYS  61          1HB       LYS  61  -4.612   8.340   8.832
  498   2HB   LYS  61          2HB       LYS  61  -3.418   8.696   7.583
  499   1HG   LYS  61          1HG       LYS  61  -4.613  10.979   7.363
  500   2HG   LYS  61          2HG       LYS  61  -5.357  10.587   8.914
  501   1HD   LYS  61          1HD       LYS  61  -2.402  10.238   8.681
  502   2HD   LYS  61          2HD       LYS  61  -3.023  11.887   8.769
  503   1HE   LYS  61          1HE       LYS  61  -2.859  11.467  11.025
  504   2HE   LYS  61          2HE       LYS  61  -4.473  10.809  10.752
  505   1HZ   LYS  61          1HZ       LYS  61  -2.116   9.089  10.382
  506   2HZ   LYS  61          2HZ       LYS  61  -2.692   9.387  11.949
  507   3HZ   LYS  61          3HZ       LYS  61  -3.707   8.660  10.797
  508    H    LEU  62           H        LEU  62  -3.799   7.103   5.605
  509    HA   LEU  62           HA       LEU  62  -2.763   8.928   3.718
  510   1HB   LEU  62          1HB       LEU  62  -3.007   5.933   3.479
  511   2HB   LEU  62          2HB       LEU  62  -1.988   6.956   2.493
  512    HG   LEU  62           HG       LEU  62  -1.648   6.819   5.482
  513   1HD1  LEU  62          1HD1      LEU  62  -0.905   4.857   3.369
  514   2HD1  LEU  62          2HD1      LEU  62   0.327   5.234   4.572
  515   3HD1  LEU  62          3HD1      LEU  62  -1.234   4.597   5.081
  516   1HD2  LEU  62          1HD2      LEU  62  -0.152   7.868   3.115
  517   2HD2  LEU  62          2HD2      LEU  62  -0.335   8.567   4.723
  518   3HD2  LEU  62          3HD2      LEU  62   0.790   7.234   4.464
  519    H    MET  63           H        MET  63  -5.334   6.517   3.502
  520    HA   MET  63           HA       MET  63  -6.044   6.720   0.831
  521   1HB   MET  63          1HB       MET  63  -7.682   6.214   3.303
  522   2HB   MET  63          2HB       MET  63  -8.430   6.257   1.706
  523   1HG   MET  63          1HG       MET  63  -6.337   4.642   1.163
  524   2HG   MET  63          2HG       MET  63  -6.554   4.260   2.870
  525   1HE   MET  63          1HE       MET  63  -7.118   3.719  -0.410
  526   2HE   MET  63          2HE       MET  63  -7.401   2.044   0.080
  527   3HE   MET  63          3HE       MET  63  -8.673   2.957  -0.729
  528    H    GLN  64           H        GLN  64  -6.864   8.854   3.506
  529    HA   GLN  64           HA       GLN  64  -8.586  10.512   1.841
  530   1HB   GLN  64          1HB       GLN  64  -8.953  10.066   4.336
  531   2HB   GLN  64          2HB       GLN  64  -7.608  11.173   4.618
  532   1HG   GLN  64          1HG       GLN  64  -8.941  12.762   3.006
  533   2HG   GLN  64          2HG       GLN  64 -10.314  11.745   3.444
  534   2HE2  GLN  64          2HE2      GLN  64 -11.418  12.469   5.257
  535   1HE2  GLN  64          1HE2      GLN  64 -10.736  13.379   6.517
  536    H    GLN  65           H        GLN  65  -5.321  10.508   3.110
  537    HA   GLN  65           HA       GLN  65  -4.733  13.242   2.527
  538   1HB   GLN  65          1HB       GLN  65  -3.143  10.824   3.254
  539   2HB   GLN  65          2HB       GLN  65  -2.297  12.209   2.568
  540   1HG   GLN  65          1HG       GLN  65  -4.264  12.894   4.666
  541   2HG   GLN  65          2HG       GLN  65  -2.901  11.930   5.228
  542   2HE2  GLN  65          2HE2      GLN  65  -1.660  13.551   6.270
  543   1HE2  GLN  65          1HE2      GLN  65  -1.056  14.923   5.474
  544    H    LEU  66           H        LEU  66  -4.355  10.198   0.782
  545    HA   LEU  66           HA       LEU  66  -3.290  11.669  -1.545
  546   1HB   LEU  66          1HB       LEU  66  -3.504   8.691  -1.395
  547   2HB   LEU  66          2HB       LEU  66  -2.395   9.672  -2.327
  548    HG   LEU  66           HG       LEU  66  -2.299   9.154   0.653
  549   1HD1  LEU  66          1HD1      LEU  66  -1.403   7.580  -1.392
  550   2HD1  LEU  66          2HD1      LEU  66   0.007   8.602  -1.119
  551   3HD1  LEU  66          3HD1      LEU  66  -0.654   7.642   0.202
  552   1HD2  LEU  66          1HD2      LEU  66  -0.900  11.136  -1.114
  553   2HD2  LEU  66          2HD2      LEU  66  -1.481  11.331   0.539
  554   3HD2  LEU  66          3HD2      LEU  66  -0.008  10.413   0.226
  555    HA   PRO  67           HA       PRO  67  -7.187  11.132  -3.543
  556   1HB   PRO  67          1HB       PRO  67  -6.418  11.332  -6.165
  557   2HB   PRO  67          2HB       PRO  67  -6.535  12.709  -5.061
  558   1HG   PRO  67          1HG       PRO  67  -4.124  11.330  -6.090
  559   2HG   PRO  67          2HG       PRO  67  -4.322  13.000  -5.543
  560   1HD   PRO  67          1HD       PRO  67  -3.148  10.892  -4.065
  561   2HD   PRO  67          2HD       PRO  67  -3.635  12.481  -3.428
  562    H    VAL  68           H        VAL  68  -5.093   9.614  -5.969
  563    HA   VAL  68           HA       VAL  68  -5.392   6.940  -5.352
  564    HB   VAL  68           HB       VAL  68  -7.854   8.104  -6.492
  565   1HG1  VAL  68          1HG1      VAL  68  -6.600   5.703  -7.838
  566   2HG1  VAL  68          2HG1      VAL  68  -8.344   5.965  -7.822
  567   3HG1  VAL  68          3HG1      VAL  68  -7.283   7.143  -8.594
  568   1HG2  VAL  68          1HG2      VAL  68  -6.981   5.955  -4.705
  569   2HG2  VAL  68          2HG2      VAL  68  -8.481   6.878  -4.703
  570   3HG2  VAL  68          3HG2      VAL  68  -8.321   5.465  -5.742
  571    H    THR  69           H        THR  69  -4.348   5.655  -6.829
  572    HA   THR  69           HA       THR  69  -2.533   6.894  -8.583
  573    HB   THR  69           HB       THR  69  -3.049   4.118  -9.305
  574    HG1  THR  69           HG1      THR  69  -2.543   4.671  -6.574
  575   1HG2  THR  69          1HG2      THR  69  -0.906   5.755  -9.194
  576   2HG2  THR  69          2HG2      THR  69  -0.713   4.909  -7.657
  577   3HG2  THR  69          3HG2      THR  69  -0.774   3.997  -9.166
  578    H    ALA  70           H        ALA  70  -2.357   6.664 -10.899
  579    HA   ALA  70           HA       ALA  70  -4.561   5.836 -12.512
  580   1HB   ALA  70          1HB       ALA  70  -4.170   8.792 -12.691
  581   2HB   ALA  70          2HB       ALA  70  -5.205   8.160 -11.411
  582   3HB   ALA  70          3HB       ALA  70  -5.583   7.819 -13.100
  583    H    ARG  71           H        ARG  71  -2.071   8.395 -12.535
  584    HA   ARG  71           HA       ARG  71  -1.194   7.483 -15.183
  585   1HB   ARG  71          1HB       ARG  71  -1.550   9.987 -14.338
  586   2HB   ARG  71          2HB       ARG  71   0.116   9.774 -13.798
  587   1HG   ARG  71          1HG       ARG  71   0.931   9.523 -15.951
  588   2HG   ARG  71          2HG       ARG  71  -0.600   8.899 -16.569
  589   1HD   ARG  71          1HD       ARG  71  -1.427  11.350 -15.893
  590   2HD   ARG  71          2HD       ARG  71   0.273  11.723 -16.159
  591    HE   ARG  71           HE       ARG  71  -0.755  10.195 -18.331
  592   1HH1  ARG  71          1HH1      ARG  71  -0.845  13.402 -16.932
  593   2HH1  ARG  71          2HH1      ARG  71  -1.164  14.176 -18.446
  594   1HH2  ARG  71          1HH2      ARG  71  -1.171  11.244 -20.283
  595   2HH2  ARG  71          2HH2      ARG  71  -1.348  12.967 -20.328

  No H/Q in entry =         595
  Start of MODEL   38
    1    H1   LEU   1           H1       LEU   1  12.275 -10.104 -17.857
    2    H2   LEU   1           H2       LEU   1  11.089 -10.356 -16.668
    3    H3   LEU   1           H3       LEU   1  11.374  -8.793 -17.262
    4    HA   LEU   1           HA       LEU   1  12.488  -8.723 -15.266
    5   1HB   LEU   1          1HB       LEU   1  12.858 -11.626 -15.839
    6   2HB   LEU   1          2HB       LEU   1  14.093 -10.837 -14.856
    7    HG   LEU   1           HG       LEU   1  11.971  -9.840 -13.605
    8   1HD1  LEU   1          1HD1      LEU   1  10.970 -12.222 -15.131
    9   2HD1  LEU   1          2HD1      LEU   1  10.337 -11.915 -13.515
   10   3HD1  LEU   1          3HD1      LEU   1  10.154 -10.699 -14.779
   11   1HD2  LEU   1          1HD2      LEU   1  13.835 -11.454 -12.810
   12   2HD2  LEU   1          2HD2      LEU   1  12.306 -11.480 -11.931
   13   3HD2  LEU   1          3HD2      LEU   1  12.665 -12.737 -13.114
   14    H    GLY   2           H        GLY   2  13.942  -7.212 -15.767
   15   1HA   GLY   2          1HA       GLY   2  16.399  -8.031 -17.170
   16   2HA   GLY   2          2HA       GLY   2  16.230  -6.617 -16.135
   17    H    ALA   3           H        ALA   3  13.689  -5.813 -17.332
   18    HA   ALA   3           HA       ALA   3  14.763  -4.651 -19.823
   19   1HB   ALA   3          1HB       ALA   3  13.097  -6.613 -20.173
   20   2HB   ALA   3          2HB       ALA   3  12.835  -5.117 -21.069
   21   3HB   ALA   3          3HB       ALA   3  11.875  -5.463 -19.630
   22    H    SER   4           H        SER   4  12.016  -4.548 -17.550
   23    HA   SER   4           HA       SER   4  12.435  -1.862 -16.788
   24   1HB   SER   4          1HB       SER   4  10.331  -0.940 -17.917
   25   2HB   SER   4          2HB       SER   4  11.755  -1.134 -18.937
   26    HG   SER   4           HG       SER   4  10.283  -2.172 -20.093
   27    H    TRP   5           H        TRP   5   9.450  -3.576 -17.659
   28    HA   TRP   5           HA       TRP   5   8.898  -4.169 -14.855
   29   1HB   TRP   5          1HB       TRP   5   7.517  -2.036 -16.394
   30   2HB   TRP   5          2HB       TRP   5   6.483  -3.116 -15.460
   31    HD1  TRP   5           HD1      TRP   5   8.382  -0.043 -15.092
   32    HE1  TRP   5           HE1      TRP   5   8.833   0.495 -12.611
   33    HE3  TRP   5           HE3      TRP   5   7.199  -4.541 -12.984
   34    HZ2  TRP   5           HZ2      TRP   5   8.709  -0.811 -10.069
   35    HZ3  TRP   5           HZ3      TRP   5   7.374  -4.866 -10.533
   36    HH2  TRP   5           HH2      TRP   5   8.126  -3.009  -9.074
   37    H    HIS   6           H        HIS   6   8.058  -6.134 -14.748
   38    HA   HIS   6           HA       HIS   6   6.007  -7.052 -16.535
   39   1HB   HIS   6          1HB       HIS   6   8.835  -7.909 -16.954
   40   2HB   HIS   6          2HB       HIS   6   7.568  -9.125 -17.114
   41    HD1  HIS   6           HD1      HIS   6   5.336  -7.712 -18.481
   42    HD2  HIS   6           HD2      HIS   6   9.310  -6.989 -19.511
   43    HE1  HIS   6           HE1      HIS   6   5.306  -6.756 -20.826
   44    H    ARG   7           H        ARG   7   4.968  -8.877 -15.770
   45    HA   ARG   7           HA       ARG   7   4.249 -10.390 -14.198
   46   1HB   ARG   7          1HB       ARG   7   6.466 -11.444 -14.791
   47   2HB   ARG   7          2HB       ARG   7   7.159 -10.613 -13.398
   48   1HG   ARG   7          1HG       ARG   7   6.561 -12.556 -12.335
   49   2HG   ARG   7          2HG       ARG   7   5.010 -11.725 -12.209
   50   1HD   ARG   7          1HD       ARG   7   4.248 -12.813 -14.279
   51   2HD   ARG   7          2HD       ARG   7   5.801 -13.627 -14.432
   52    HE   ARG   7           HE       ARG   7   4.923 -14.381 -11.955
   53   1HH1  ARG   7          1HH1      ARG   7   3.523 -14.467 -15.163
   54   2HH1  ARG   7          2HH1      ARG   7   2.568 -15.871 -14.832
   55   1HH2  ARG   7          1HH2      ARG   7   3.661 -16.209 -11.566
   56   2HH2  ARG   7          2HH2      ARG   7   2.644 -16.851 -12.813
   57    HA   PRO   8           HA       PRO   8   4.775  -7.227 -10.810
   58   1HB   PRO   8          1HB       PRO   8   2.322  -6.041 -10.994
   59   2HB   PRO   8          2HB       PRO   8   3.744  -5.502 -11.900
   60   1HG   PRO   8          1HG       PRO   8   1.349  -6.946 -12.855
   61   2HG   PRO   8          2HG       PRO   8   2.473  -5.910 -13.748
   62   1HD   PRO   8          1HD       PRO   8   2.414  -8.762 -13.741
   63   2HD   PRO   8          2HD       PRO   8   3.655  -7.720 -14.477
   64    H    ASP   9           H        ASP   9   3.747  -7.202  -8.728
   65    HA   ASP   9           HA       ASP   9   2.145  -9.610  -8.211
   66   1HB   ASP   9          1HB       ASP   9   4.300  -8.958  -6.909
   67   2HB   ASP   9          2HB       ASP   9   3.256  -7.801  -6.083
   68    H    LYS  10           H        LYS  10   0.026  -9.454  -7.954
   69    HA   LYS  10           HA       LYS  10  -1.159  -6.816  -7.418
   70   1HB   LYS  10          1HB       LYS  10  -2.235  -9.376  -8.578
   71   2HB   LYS  10          2HB       LYS  10  -3.319  -8.118  -7.984
   72   1HG   LYS  10          1HG       LYS  10  -1.092  -7.365  -9.848
   73   2HG   LYS  10          2HG       LYS  10  -2.553  -8.101 -10.506
   74   1HD   LYS  10          1HD       LYS  10  -3.801  -6.325  -9.045
   75   2HD   LYS  10          2HD       LYS  10  -2.249  -5.485  -9.052
   76   1HE   LYS  10          1HE       LYS  10  -3.801  -6.359 -11.509
   77   2HE   LYS  10          2HE       LYS  10  -3.658  -4.704 -10.913
   78   1HZ   LYS  10          1HZ       LYS  10  -1.267  -4.835 -11.228
   79   2HZ   LYS  10          2HZ       LYS  10  -1.408  -6.428 -11.803
   80   3HZ   LYS  10          3HZ       LYS  10  -2.078  -5.139 -12.685
   81    H    CYS  11           H        CYS  11  -2.164 -10.117  -6.578
   82    HA   CYS  11           HA       CYS  11  -3.472  -9.374  -4.192
   83   1HB   CYS  11          1HB       CYS  11  -2.274 -12.089  -4.791
   84   2HB   CYS  11          2HB       CYS  11  -3.605 -11.728  -3.697
   85    H    CYS  12           H        CYS  12  -2.721 -10.807  -2.130
   86    HA   CYS  12           HA       CYS  12  -0.016 -11.058  -1.484
   87   1HB   CYS  12          1HB       CYS  12   0.291  -9.050  -0.021
   88   2HB   CYS  12          2HB       CYS  12   0.224  -8.662  -1.740
   89    H    LEU  13           H        LEU  13   0.008 -12.356   0.221
   90    HA   LEU  13           HA       LEU  13  -2.406 -12.645   1.830
   91   1HB   LEU  13          1HB       LEU  13   0.121 -14.206   1.505
   92   2HB   LEU  13          2HB       LEU  13  -0.888 -14.470   2.910
   93    HG   LEU  13           HG       LEU  13  -2.800 -14.899   1.257
   94   1HD1  LEU  13          1HD1      LEU  13  -0.424 -14.674  -0.563
   95   2HD1  LEU  13          2HD1      LEU  13  -1.697 -15.829  -0.956
   96   3HD1  LEU  13          3HD1      LEU  13  -2.077 -14.113  -0.812
   97   1HD2  LEU  13          1HD2      LEU  13  -1.328 -16.606   2.539
   98   2HD2  LEU  13          2HD2      LEU  13  -2.238 -17.196   1.147
   99   3HD2  LEU  13          3HD2      LEU  13  -0.515 -16.855   0.994
  100    H    GLY  14           H        GLY  14  -0.107 -10.429   2.051
  101   1HA   GLY  14          1HA       GLY  14   1.313 -10.369   4.295
  102   2HA   GLY  14          2HA       GLY  14  -0.317 -10.282   4.959
  103    H    TYR  15           H        TYR  15   0.056  -8.191   5.775
  104    HA   TYR  15           HA       TYR  15   0.032  -6.082   3.701
  105   1HB   TYR  15          1HB       TYR  15  -1.134  -6.087   6.495
  106   2HB   TYR  15          2HB       TYR  15  -1.098  -4.681   5.430
  107    HD1  TYR  15           HD1      TYR  15  -2.388  -4.663   3.319
  108    HD2  TYR  15           HD2      TYR  15  -2.646  -7.932   6.092
  109    HE1  TYR  15           HE1      TYR  15  -4.442  -5.462   2.184
  110    HE2  TYR  15           HE2      TYR  15  -4.700  -8.733   4.957
  111    HH   TYR  15           HH       TYR  15  -5.700  -7.545   1.918
  112    H    GLN  16           H        GLN  16   0.658  -3.874   4.939
  113    HA   GLN  16           HA       GLN  16   3.442  -3.963   5.281
  114   1HB   GLN  16          1HB       GLN  16   2.201  -1.911   4.651
  115   2HB   GLN  16          2HB       GLN  16   1.528  -1.836   6.271
  116   1HG   GLN  16          1HG       GLN  16   3.507  -0.333   5.958
  117   2HG   GLN  16          2HG       GLN  16   3.738  -1.522   7.232
  118   2HE2  GLN  16          2HE2      GLN  16   5.025  -0.332   4.259
  119   1HE2  GLN  16          1HE2      GLN  16   6.228  -1.512   4.068
  120    H    LYS  17           H        LYS  17   0.909  -3.446   7.710
  121    HA   LYS  17           HA       LYS  17   0.764  -4.223   9.895
  122   1HB   LYS  17          1HB       LYS  17   2.619  -5.960   9.170
  123   2HB   LYS  17          2HB       LYS  17   3.675  -4.885  10.087
  124   1HG   LYS  17          1HG       LYS  17   2.647  -5.357  12.096
  125   2HG   LYS  17          2HG       LYS  17   1.082  -5.666  11.343
  126   1HD   LYS  17          1HD       LYS  17   1.661  -7.841  11.822
  127   2HD   LYS  17          2HD       LYS  17   2.462  -7.697  10.257
  128   1HE   LYS  17          1HE       LYS  17   3.992  -6.799  12.653
  129   2HE   LYS  17          2HE       LYS  17   3.765  -8.536  12.447
  130   1HZ   LYS  17          1HZ       LYS  17   4.579  -8.232  10.124
  131   2HZ   LYS  17          2HZ       LYS  17   5.001  -6.638  10.535
  132   3HZ   LYS  17          3HZ       LYS  17   5.745  -7.946  11.323
  133    H    ARG  18           H        ARG  18   3.701  -2.470   8.936
  134    HA   ARG  18           HA       ARG  18   3.509  -0.878  11.404
  135   1HB   ARG  18          1HB       ARG  18   5.751  -0.001  10.706
  136   2HB   ARG  18          2HB       ARG  18   5.732  -1.743  10.988
  137   1HG   ARG  18          1HG       ARG  18   5.677  -2.220   8.648
  138   2HG   ARG  18          2HG       ARG  18   5.317  -0.541   8.244
  139   1HD   ARG  18          1HD       ARG  18   7.650  -0.876   7.791
  140   2HD   ARG  18          2HD       ARG  18   7.546   0.081   9.264
  141    HE   ARG  18           HE       ARG  18   7.699  -2.759   9.764
  142   1HH1  ARG  18          1HH1      ARG  18   9.548   0.147   9.131
  143   2HH1  ARG  18          2HH1      ARG  18  10.979  -0.462   9.889
  144   1HH2  ARG  18          1HH2      ARG  18   9.586  -3.514  10.742
  145   2HH2  ARG  18          2HH2      ARG  18  11.002  -2.517  10.794
  146    HA   PRO  19           HA       PRO  19   1.893   2.449   8.969
  147   1HB   PRO  19          1HB       PRO  19   2.271   4.505  10.727
  148   2HB   PRO  19          2HB       PRO  19   1.013   3.274  10.904
  149   1HG   PRO  19          1HG       PRO  19   3.510   3.628  12.434
  150   2HG   PRO  19          2HG       PRO  19   2.014   2.804  12.893
  151   1HD   PRO  19          1HD       PRO  19   4.443   1.590  12.000
  152   2HD   PRO  19          2HD       PRO  19   2.889   0.782  12.313
  153    H    LEU  20           H        LEU  20   2.720   3.546   7.304
  154    HA   LEU  20           HA       LEU  20   5.506   4.496   7.461
  155   1HB   LEU  20          1HB       LEU  20   4.045   4.611   4.890
  156   2HB   LEU  20          2HB       LEU  20   5.704   4.170   5.219
  157    HG   LEU  20           HG       LEU  20   3.251   2.422   5.494
  158   1HD1  LEU  20          1HD1      LEU  20   4.552   2.946   3.249
  159   2HD1  LEU  20          2HD1      LEU  20   5.713   1.792   3.905
  160   3HD1  LEU  20          3HD1      LEU  20   4.043   1.299   3.622
  161   1HD2  LEU  20          1HD2      LEU  20   6.045   2.143   6.547
  162   2HD2  LEU  20          2HD2      LEU  20   4.521   1.638   7.277
  163   3HD2  LEU  20          3HD2      LEU  20   5.218   0.702   5.955
  164    HA   PRO  21           HA       PRO  21   4.048   8.679   7.389
  165   1HB   PRO  21          1HB       PRO  21   6.328   9.938   6.559
  166   2HB   PRO  21          2HB       PRO  21   6.115   9.258   8.182
  167   1HG   PRO  21          1HG       PRO  21   7.757   8.262   5.937
  168   2HG   PRO  21          2HG       PRO  21   7.933   7.979   7.675
  169   1HD   PRO  21          1HD       PRO  21   6.809   6.193   5.750
  170   2HD   PRO  21          2HD       PRO  21   6.834   5.987   7.517
  171    H    GLN  22           H        GLN  22   2.948   9.962   5.989
  172    HA   GLN  22           HA       GLN  22   2.907   9.365   3.189
  173   1HB   GLN  22          1HB       GLN  22   0.976  10.258   4.615
  174   2HB   GLN  22          2HB       GLN  22   1.742  11.839   4.460
  175   1HG   GLN  22          1HG       GLN  22   1.429  10.303   1.937
  176   2HG   GLN  22          2HG       GLN  22  -0.064  10.885   2.673
  177   2HE2  GLN  22          2HE2      GLN  22   1.961  11.798   0.331
  178   1HE2  GLN  22          1HE2      GLN  22   1.964  13.482   0.539
  179    H    VAL  23           H        VAL  23   4.998  11.266   5.062
  180    HA   VAL  23           HA       VAL  23   5.507  13.538   3.584
  181    HB   VAL  23           HB       VAL  23   6.543  13.030   5.759
  182   1HG1  VAL  23          1HG1      VAL  23   7.078  10.579   4.800
  183   2HG1  VAL  23          2HG1      VAL  23   8.634  11.342   4.477
  184   3HG1  VAL  23          3HG1      VAL  23   8.001  11.293   6.121
  185   1HG2  VAL  23          1HG2      VAL  23   7.570  14.716   4.240
  186   2HG2  VAL  23          2HG2      VAL  23   8.762  13.927   5.272
  187   3HG2  VAL  23          3HG2      VAL  23   8.609  13.453   3.579
  188    H    LEU  24           H        LEU  24   6.221  10.230   2.743
  189    HA   LEU  24           HA       LEU  24   7.555  11.223   0.302
  190   1HB   LEU  24          1HB       LEU  24   9.187   9.582   0.345
  191   2HB   LEU  24          2HB       LEU  24   9.101  10.132   1.998
  192    HG   LEU  24           HG       LEU  24   9.330   7.817   2.188
  193   1HD1  LEU  24          1HD1      LEU  24   7.335   8.738   3.441
  194   2HD1  LEU  24          2HD1      LEU  24   6.321   8.104   2.145
  195   3HD1  LEU  24          3HD1      LEU  24   7.282   7.003   3.129
  196   1HD2  LEU  24          1HD2      LEU  24   8.651   7.650  -0.390
  197   2HD2  LEU  24          2HD2      LEU  24   8.606   6.242   0.672
  198   3HD2  LEU  24          3HD2      LEU  24   7.120   7.120   0.307
  199    H    LEU  25           H        LEU  25   4.835   9.707   1.406
  200    HA   LEU  25           HA       LEU  25   4.629   7.611  -0.555
  201   1HB   LEU  25          1HB       LEU  25   3.366   8.048   1.760
  202   2HB   LEU  25          2HB       LEU  25   2.212   8.807   0.688
  203    HG   LEU  25           HG       LEU  25   1.843   6.727  -0.482
  204   1HD1  LEU  25          1HD1      LEU  25   4.282   5.892   1.042
  205   2HD1  LEU  25          2HD1      LEU  25   3.068   4.668   0.669
  206   3HD1  LEU  25          3HD1      LEU  25   3.845   5.566  -0.635
  207   1HD2  LEU  25          1HD2      LEU  25   1.724   6.807   2.496
  208   2HD2  LEU  25          2HD2      LEU  25   0.413   6.674   1.322
  209   3HD2  LEU  25          3HD2      LEU  25   1.392   5.260   1.717
  210    H    SER  26           H        SER  26   2.639   7.648  -2.054
  211    HA   SER  26           HA       SER  26   2.400  10.320  -3.305
  212   1HB   SER  26          1HB       SER  26   3.814   8.355  -4.459
  213   2HB   SER  26          2HB       SER  26   2.210   7.911  -5.036
  214    HG   SER  26           HG       SER  26   3.663   9.615  -6.166
  215    H    SER  27           H        SER  27   0.960   7.078  -3.726
  216    HA   SER  27           HA       SER  27  -1.671   8.079  -2.980
  217   1HB   SER  27          1HB       SER  27  -0.867   8.072  -5.719
  218   2HB   SER  27          2HB       SER  27  -2.060   6.796  -5.509
  219    HG   SER  27           HG       SER  27  -2.920   8.942  -5.930
  220    H    TRP  28           H        TRP  28  -3.205   6.047  -4.055
  221    HA   TRP  28           HA       TRP  28  -1.975   3.496  -3.298
  222   1HB   TRP  28          1HB       TRP  28  -3.953   2.973  -1.818
  223   2HB   TRP  28          2HB       TRP  28  -2.846   4.178  -1.166
  224    HD1  TRP  28           HD1      TRP  28  -3.645   6.713  -1.129
  225    HE1  TRP  28           HE1      TRP  28  -5.983   7.788  -1.270
  226    HE3  TRP  28           HE3      TRP  28  -6.348   2.728  -2.849
  227    HZ2  TRP  28           HZ2      TRP  28  -8.645   7.054  -2.027
  228    HZ3  TRP  28           HZ3      TRP  28  -8.777   2.948  -3.271
  229    HH2  TRP  28           HH2      TRP  28  -9.930   5.103  -2.859
  230    H    TYR  29           H        TYR  29  -2.785   1.814  -4.448
  231    HA   TYR  29           HA       TYR  29  -5.224   2.342  -6.030
  232   1HB   TYR  29          1HB       TYR  29  -4.309   1.230  -7.934
  233   2HB   TYR  29          2HB       TYR  29  -3.108   2.396  -7.400
  234    HD1  TYR  29           HD1      TYR  29  -1.147   1.552  -5.955
  235    HD2  TYR  29           HD2      TYR  29  -3.807  -1.070  -8.078
  236    HE1  TYR  29           HE1      TYR  29   0.526  -0.265  -5.808
  237    HE2  TYR  29           HE2      TYR  29  -2.131  -2.891  -7.925
  238    HH   TYR  29           HH       TYR  29  -0.189  -3.473  -6.378
  239    HA   PRO  30           HA       PRO  30  -6.577  -1.444  -4.152
  240   1HB   PRO  30          1HB       PRO  30  -8.859  -1.824  -5.601
  241   2HB   PRO  30          2HB       PRO  30  -8.697  -0.610  -4.323
  242   1HG   PRO  30          1HG       PRO  30  -8.795  -0.246  -7.254
  243   2HG   PRO  30          2HG       PRO  30  -9.212   0.889  -5.963
  244   1HD   PRO  30          1HD       PRO  30  -6.809   0.856  -7.495
  245   2HD   PRO  30          2HD       PRO  30  -7.153   1.860  -6.066
  246    H    THR  31           H        THR  31  -6.257  -3.592  -4.438
  247    HA   THR  31           HA       THR  31  -5.438  -4.513  -7.103
  248    HB   THR  31           HB       THR  31  -3.884  -5.038  -5.326
  249    HG1  THR  31           HG1      THR  31  -4.106  -6.662  -6.831
  250   1HG2  THR  31          1HG2      THR  31  -6.366  -6.031  -3.956
  251   2HG2  THR  31          2HG2      THR  31  -4.791  -6.694  -3.522
  252   3HG2  THR  31          3HG2      THR  31  -5.105  -4.970  -3.332
  253    H    SER  32           H        SER  32  -6.013  -6.984  -7.391
  254    HA   SER  32           HA       SER  32  -8.767  -7.143  -7.921
  255   1HB   SER  32          1HB       SER  32  -6.615  -8.631  -8.648
  256   2HB   SER  32          2HB       SER  32  -7.369  -9.715  -7.482
  257    HG   SER  32           HG       SER  32  -8.061  -9.456  -9.931
  258    H    GLN  33           H        GLN  33 -10.493  -7.922  -6.817
  259    HA   GLN  33           HA       GLN  33 -10.112  -8.436  -3.968
  260   1HB   GLN  33          1HB       GLN  33 -12.592  -8.261  -3.888
  261   2HB   GLN  33          2HB       GLN  33 -11.820  -6.823  -4.547
  262   1HG   GLN  33          1HG       GLN  33 -12.419  -7.391  -6.771
  263   2HG   GLN  33          2HG       GLN  33 -12.814  -9.051  -6.326
  264   2HE2  GLN  33          2HE2      GLN  33 -14.772  -9.334  -4.884
  265   1HE2  GLN  33          1HE2      GLN  33 -16.027  -8.195  -4.985
  266    H    LEU  34           H        LEU  34  -9.610 -10.441  -6.290
  267    HA   LEU  34           HA       LEU  34 -11.356 -12.588  -5.251
  268   1HB   LEU  34          1HB       LEU  34  -9.883 -12.624  -7.876
  269   2HB   LEU  34          2HB       LEU  34 -11.123 -13.729  -7.331
  270    HG   LEU  34           HG       LEU  34 -12.144 -12.345  -8.961
  271   1HD1  LEU  34          1HD1      LEU  34 -13.420 -12.649  -6.801
  272   2HD1  LEU  34          2HD1      LEU  34 -12.858 -11.048  -6.318
  273   3HD1  LEU  34          3HD1      LEU  34 -13.894 -11.229  -7.733
  274   1HD2  LEU  34          1HD2      LEU  34 -10.227 -10.569  -8.592
  275   2HD2  LEU  34          2HD2      LEU  34 -11.790 -10.059  -9.228
  276   3HD2  LEU  34          3HD2      LEU  34 -11.409  -9.815  -7.524
  277    H    CYS  35           H        CYS  35  -8.893 -11.638  -4.033
  278    HA   CYS  35           HA       CYS  35  -7.072 -13.912  -4.526
  279   1HB   CYS  35          1HB       CYS  35  -6.443 -11.460  -2.873
  280   2HB   CYS  35          2HB       CYS  35  -5.318 -12.637  -3.543
  281    H    SER  36           H        SER  36  -5.741 -14.147  -2.226
  282    HA   SER  36           HA       SER  36  -7.671 -15.406  -0.486
  283   1HB   SER  36          1HB       SER  36  -5.575 -15.855   0.917
  284   2HB   SER  36          2HB       SER  36  -5.616 -16.572  -0.692
  285    HG   SER  36           HG       SER  36  -4.091 -15.236  -1.334
  286    H    LYS  37           H        LYS  37  -5.690 -12.515  -0.482
  287    HA   LYS  37           HA       LYS  37  -7.276 -11.426   1.720
  288   1HB   LYS  37          1HB       LYS  37  -4.249 -11.422   1.840
  289   2HB   LYS  37          2HB       LYS  37  -5.363 -10.775   3.045
  290   1HG   LYS  37          1HG       LYS  37  -6.309 -13.114   3.282
  291   2HG   LYS  37          2HG       LYS  37  -4.971 -13.678   2.279
  292   1HD   LYS  37          1HD       LYS  37  -3.599 -12.194   4.085
  293   2HD   LYS  37          2HD       LYS  37  -4.956 -12.710   5.088
  294   1HE   LYS  37          1HE       LYS  37  -4.378 -15.058   3.886
  295   2HE   LYS  37          2HE       LYS  37  -2.774 -14.325   3.875
  296   1HZ   LYS  37          1HZ       LYS  37  -4.449 -14.367   6.311
  297   2HZ   LYS  37          2HZ       LYS  37  -3.424 -15.663   5.912
  298   3HZ   LYS  37          3HZ       LYS  37  -2.772 -14.121   6.184
  299    HA   PRO  38           HA       PRO  38  -6.193  -8.364  -1.560
  300   1HB   PRO  38          1HB       PRO  38  -8.745  -7.565  -2.106
  301   2HB   PRO  38          2HB       PRO  38  -7.959  -8.947  -2.883
  302   1HG   PRO  38          1HG       PRO  38 -10.083  -8.912  -0.828
  303   2HG   PRO  38          2HG       PRO  38  -9.690 -10.157  -2.022
  304   1HD   PRO  38          1HD       PRO  38  -9.010 -10.177   0.744
  305   2HD   PRO  38          2HD       PRO  38  -8.443 -11.313  -0.502
  306    H    GLY  39           H        GLY  39  -6.846  -6.001  -1.735
  307   1HA   GLY  39          1HA       GLY  39  -6.522  -4.712   0.780
  308   2HA   GLY  39          2HA       GLY  39  -8.184  -4.544   0.220
  309    H    VAL  40           H        VAL  40  -5.183  -3.138   0.184
  310    HA   VAL  40           HA       VAL  40  -5.353  -2.015  -2.502
  311    HB   VAL  40           HB       VAL  40  -5.469  -0.170  -0.104
  312   1HG1  VAL  40          1HG1      VAL  40  -4.448   0.355  -2.531
  313   2HG1  VAL  40          2HG1      VAL  40  -6.151   0.652  -2.878
  314   3HG1  VAL  40          3HG1      VAL  40  -5.340   1.556  -1.600
  315   1HG2  VAL  40          1HG2      VAL  40  -7.634  -1.035  -2.042
  316   2HG2  VAL  40          2HG2      VAL  40  -7.609  -1.311  -0.299
  317   3HG2  VAL  40          3HG2      VAL  40  -7.782   0.327  -0.931
  318    H    ILE  41           H        ILE  41  -3.428  -1.328  -3.257
  319    HA   ILE  41           HA       ILE  41  -1.119  -1.656  -1.458
  320    HB   ILE  41           HB       ILE  41  -1.391  -1.809  -4.469
  321   1HG1  ILE  41          1HG1      ILE  41  -0.359  -4.109  -3.913
  322   2HG1  ILE  41          2HG1      ILE  41  -0.797  -3.750  -2.243
  323   1HG2  ILE  41          1HG2      ILE  41   0.744  -0.677  -3.886
  324   2HG2  ILE  41          2HG2      ILE  41   1.146  -2.014  -2.806
  325   3HG2  ILE  41          3HG2      ILE  41   1.025  -2.289  -4.544
  326   1HD1  ILE  41          1HD1      ILE  41  -2.844  -3.440  -4.422
  327   2HD1  ILE  41          2HD1      ILE  41  -2.504  -5.038  -3.758
  328   3HD1  ILE  41          3HD1      ILE  41  -3.090  -3.752  -2.704
  329    H    PHE  42           H        PHE  42   0.305  -0.038  -1.115
  330    HA   PHE  42           HA       PHE  42  -0.477   2.644  -1.995
  331   1HB   PHE  42          1HB       PHE  42   1.338   1.552   0.133
  332   2HB   PHE  42          2HB       PHE  42   1.568   3.204  -0.439
  333    HD1  PHE  42           HD1      PHE  42  -0.415   4.802  -0.398
  334    HD2  PHE  42           HD2      PHE  42  -0.420   1.015   1.629
  335    HE1  PHE  42           HE1      PHE  42  -2.309   5.559   1.012
  336    HE2  PHE  42           HE2      PHE  42  -2.312   1.773   3.040
  337    HZ   PHE  42           HZ       PHE  42  -3.257   4.046   2.731
  338    H    LEU  43           H        LEU  43   1.065   4.091  -2.953
  339    HA   LEU  43           HA       LEU  43   3.376   2.761  -4.227
  340   1HB   LEU  43          1HB       LEU  43   1.938   4.876  -5.742
  341   2HB   LEU  43          2HB       LEU  43   2.888   3.529  -6.330
  342    HG   LEU  43           HG       LEU  43   0.797   2.168  -5.308
  343   1HD1  LEU  43          1HD1      LEU  43  -0.184   4.941  -5.991
  344   2HD1  LEU  43          2HD1      LEU  43  -1.245   3.535  -6.083
  345   3HD1  LEU  43          3HD1      LEU  43  -0.515   3.989  -4.544
  346   1HD2  LEU  43          1HD2      LEU  43   1.168   3.492  -7.995
  347   2HD2  LEU  43          2HD2      LEU  43   1.459   1.810  -7.553
  348   3HD2  LEU  43          3HD2      LEU  43  -0.192   2.414  -7.687
  349    H    THR  44           H        THR  44   4.914   3.716  -2.937
  350    HA   THR  44           HA       THR  44   4.858   6.432  -2.125
  351    HB   THR  44           HB       THR  44   7.208   6.103  -1.526
  352    HG1  THR  44           HG1      THR  44   6.906   3.675  -2.957
  353   1HG2  THR  44          1HG2      THR  44   5.163   4.017  -0.915
  354   2HG2  THR  44          2HG2      THR  44   6.815   3.735  -0.369
  355   3HG2  THR  44          3HG2      THR  44   5.942   5.173   0.165
  356    H    LYS  45           H        LYS  45   6.580   8.029  -2.778
  357    HA   LYS  45           HA       LYS  45   6.306   8.712  -5.491
  358   1HB   LYS  45          1HB       LYS  45   8.314   9.606  -3.414
  359   2HB   LYS  45          2HB       LYS  45   8.208  10.312  -5.027
  360   1HG   LYS  45          1HG       LYS  45   6.185  11.333  -4.602
  361   2HG   LYS  45          2HG       LYS  45   5.680  10.091  -3.456
  362   1HD   LYS  45          1HD       LYS  45   6.117  11.995  -2.112
  363   2HD   LYS  45          2HD       LYS  45   7.551  10.984  -1.929
  364   1HE   LYS  45          1HE       LYS  45   8.261  13.277  -2.331
  365   2HE   LYS  45          2HE       LYS  45   8.653  12.304  -3.749
  366   1HZ   LYS  45          1HZ       LYS  45   6.069  13.705  -3.598
  367   2HZ   LYS  45          2HZ       LYS  45   7.463  14.561  -4.044
  368   3HZ   LYS  45          3HZ       LYS  45   6.954  13.228  -4.967
  369    H    ARG  46           H        ARG  46   9.202   7.528  -3.781
  370    HA   ARG  46           HA       ARG  46  10.109   6.319  -6.324
  371   1HB   ARG  46          1HB       ARG  46  11.339   8.443  -5.748
  372   2HB   ARG  46          2HB       ARG  46  11.928   7.618  -4.303
  373   1HG   ARG  46          1HG       ARG  46  13.230   6.120  -5.522
  374   2HG   ARG  46          2HG       ARG  46  12.244   6.291  -6.975
  375   1HD   ARG  46          1HD       ARG  46  13.079   8.660  -7.165
  376   2HD   ARG  46          2HD       ARG  46  14.188   8.317  -5.842
  377    HE   ARG  46           HE       ARG  46  14.449   6.386  -7.938
  378   1HH1  ARG  46          1HH1      ARG  46  15.285   9.664  -7.038
  379   2HH1  ARG  46          2HH1      ARG  46  16.695   9.699  -8.038
  380   1HH2  ARG  46          1HH2      ARG  46  16.295   6.475  -9.229
  381   2HH2  ARG  46          2HH2      ARG  46  17.264   7.910  -9.269
  382    H    GLY  47           H        GLY  47   9.132   5.636  -3.247
  383   1HA   GLY  47          1HA       GLY  47   9.567   3.965  -1.721
  384   2HA   GLY  47          2HA       GLY  47  11.172   3.802  -2.425
  385    H    ARG  48           H        ARG  48   8.152   2.391  -2.068
  386    HA   ARG  48           HA       ARG  48   8.245   0.785  -4.500
  387   1HB   ARG  48          1HB       ARG  48   9.272  -0.165  -1.904
  388   2HB   ARG  48          2HB       ARG  48   8.108  -1.250  -2.661
  389   1HG   ARG  48          1HG       ARG  48  10.250  -0.093  -4.392
  390   2HG   ARG  48          2HG       ARG  48  10.709  -1.363  -3.258
  391   1HD   ARG  48          1HD       ARG  48   8.291  -1.704  -5.013
  392   2HD   ARG  48          2HD       ARG  48   9.899  -2.039  -5.646
  393    HE   ARG  48           HE       ARG  48   9.617  -3.381  -3.184
  394   1HH1  ARG  48          1HH1      ARG  48   8.330  -3.466  -6.438
  395   2HH1  ARG  48          2HH1      ARG  48   7.996  -5.162  -6.384
  396   1HH2  ARG  48          1HH2      ARG  48   9.164  -5.590  -3.155
  397   2HH2  ARG  48          2HH2      ARG  48   8.462  -6.357  -4.541
  398    H    GLN  49           H        GLN  49   6.588  -1.233  -3.909
  399    HA   GLN  49           HA       GLN  49   4.100   0.155  -3.197
  400   1HB   GLN  49          1HB       GLN  49   4.778  -2.170  -4.928
  401   2HB   GLN  49          2HB       GLN  49   3.210  -2.190  -4.120
  402   1HG   GLN  49          1HG       GLN  49   2.631  -1.021  -6.026
  403   2HG   GLN  49          2HG       GLN  49   3.137   0.327  -5.007
  404   2HE2  GLN  49          2HE2      GLN  49   5.090   1.442  -5.564
  405   1HE2  GLN  49          1HE2      GLN  49   5.972   1.094  -6.971
  406    H    VAL  50           H        VAL  50   2.585  -0.817  -1.751
  407    HA   VAL  50           HA       VAL  50   3.473  -3.108  -0.168
  408    HB   VAL  50           HB       VAL  50   2.944  -0.427   1.139
  409   1HG1  VAL  50          1HG1      VAL  50   2.286  -2.518   2.403
  410   2HG1  VAL  50          2HG1      VAL  50   3.981  -3.005   2.345
  411   3HG1  VAL  50          3HG1      VAL  50   3.514  -1.535   3.200
  412   1HG2  VAL  50          1HG2      VAL  50   5.505  -1.964   0.633
  413   2HG2  VAL  50          2HG2      VAL  50   5.103  -0.343   0.067
  414   3HG2  VAL  50          3HG2      VAL  50   5.380  -0.635   1.784
  415    H    CYS  51           H        CYS  51   1.802  -4.291   0.540
  416    HA   CYS  51           HA       CYS  51  -0.893  -3.535  -0.166
  417   1HB   CYS  51          1HB       CYS  51   0.457  -5.941   0.939
  418   2HB   CYS  51          2HB       CYS  51  -1.229  -5.726   1.404
  419    H    ALA  52           H        ALA  52  -2.469  -2.729   1.157
  420    HA   ALA  52           HA       ALA  52  -2.018  -2.691   4.051
  421   1HB   ALA  52          1HB       ALA  52  -0.972  -0.608   3.149
  422   2HB   ALA  52          2HB       ALA  52  -2.550  -0.142   2.517
  423   3HB   ALA  52          3HB       ALA  52  -2.310  -0.303   4.256
  424    H    ASP  53           H        ASP  53  -3.850  -2.709   5.228
  425    HA   ASP  53           HA       ASP  53  -6.372  -2.951   3.751
  426   1HB   ASP  53          1HB       ASP  53  -5.390  -3.822   6.432
  427   2HB   ASP  53          2HB       ASP  53  -7.115  -3.499   6.255
  428    H    LYS  54           H        LYS  54  -7.823  -1.362   3.697
  429    HA   LYS  54           HA       LYS  54  -7.359   1.194   4.746
  430   1HB   LYS  54          1HB       LYS  54  -9.752   1.638   4.213
  431   2HB   LYS  54          2HB       LYS  54  -8.889   0.862   2.886
  432   1HG   LYS  54          1HG       LYS  54  -9.762  -1.340   4.176
  433   2HG   LYS  54          2HG       LYS  54 -11.044  -0.216   4.628
  434   1HD   LYS  54          1HD       LYS  54 -11.018   0.396   2.070
  435   2HD   LYS  54          2HD       LYS  54 -10.252  -1.183   1.898
  436   1HE   LYS  54          1HE       LYS  54 -12.690  -1.023   3.610
  437   2HE   LYS  54          2HE       LYS  54 -12.915  -0.901   1.865
  438   1HZ   LYS  54          1HZ       LYS  54 -11.421  -3.067   3.241
  439   2HZ   LYS  54          2HZ       LYS  54 -13.014  -3.198   2.665
  440   3HZ   LYS  54          3HZ       LYS  54 -11.736  -2.963   1.575
  441    H    SER  55           H        SER  55  -8.858  -1.611   6.177
  442    HA   SER  55           HA       SER  55 -10.380  -0.431   8.206
  443   1HB   SER  55          1HB       SER  55  -9.840  -2.996   7.486
  444   2HB   SER  55          2HB       SER  55  -8.901  -2.865   8.969
  445    HG   SER  55           HG       SER  55 -11.359  -3.386   8.919
  446    H    LYS  56           H        LYS  56  -6.928  -0.785   7.873
  447    HA   LYS  56           HA       LYS  56  -6.129  -0.530  10.555
  448   1HB   LYS  56          1HB       LYS  56  -4.719   0.546   8.099
  449   2HB   LYS  56          2HB       LYS  56  -3.984   0.234   9.674
  450   1HG   LYS  56          1HG       LYS  56  -5.464  -2.026   8.426
  451   2HG   LYS  56          2HG       LYS  56  -3.934  -1.572   7.675
  452   1HD   LYS  56          1HD       LYS  56  -2.726  -1.909   9.714
  453   2HD   LYS  56          2HD       LYS  56  -4.216  -2.037  10.651
  454   1HE   LYS  56          1HE       LYS  56  -4.741  -4.157   9.747
  455   2HE   LYS  56          2HE       LYS  56  -3.616  -3.957   8.402
  456   1HZ   LYS  56          1HZ       LYS  56  -2.820  -4.169  11.255
  457   2HZ   LYS  56          2HZ       LYS  56  -2.774  -5.449  10.143
  458   3HZ   LYS  56          3HZ       LYS  56  -1.776  -4.092   9.916
  459    H    ASP  57           H        ASP  57  -4.618   1.610  10.968
  460    HA   ASP  57           HA       ASP  57  -6.577   3.809  11.028
  461   1HB   ASP  57          1HB       ASP  57  -4.247   3.044  12.752
  462   2HB   ASP  57          2HB       ASP  57  -4.774   4.727  12.701
  463    H    TRP  58           H        TRP  58  -3.036   3.443  10.733
  464    HA   TRP  58           HA       TRP  58  -2.598   6.001   9.641
  465   1HB   TRP  58          1HB       TRP  58  -0.397   5.130   8.924
  466   2HB   TRP  58          2HB       TRP  58  -0.760   4.731  10.600
  467    HD1  TRP  58           HD1      TRP  58  -1.406   2.182  11.147
  468    HE1  TRP  58           HE1      TRP  58  -0.831  -0.007   9.914
  469    HE3  TRP  58           HE3      TRP  58  -0.025   4.063   6.618
  470    HZ2  TRP  58           HZ2      TRP  58   0.094  -0.850   7.325
  471    HZ3  TRP  58           HZ3      TRP  58   0.698   2.559   4.788
  472    HH2  TRP  58           HH2      TRP  58   0.759   0.107   5.138
  473    H    VAL  59           H        VAL  59  -3.572   2.989   8.174
  474    HA   VAL  59           HA       VAL  59  -2.998   3.762   5.472
  475    HB   VAL  59           HB       VAL  59  -4.965   1.692   6.479
  476   1HG1  VAL  59          1HG1      VAL  59  -3.983   2.534   3.814
  477   2HG1  VAL  59          2HG1      VAL  59  -3.974   0.794   4.097
  478   3HG1  VAL  59          3HG1      VAL  59  -5.475   1.706   4.252
  479   1HG2  VAL  59          1HG2      VAL  59  -2.026   1.482   5.751
  480   2HG2  VAL  59          2HG2      VAL  59  -2.714   1.288   7.363
  481   3HG2  VAL  59          3HG2      VAL  59  -3.079   0.110   6.102
  482    H    LYS  60           H        LYS  60  -5.697   4.119   7.672
  483    HA   LYS  60           HA       LYS  60  -7.665   4.861   5.770
  484   1HB   LYS  60          1HB       LYS  60  -7.973   4.201   8.248
  485   2HB   LYS  60          2HB       LYS  60  -7.598   5.889   8.598
  486   1HG   LYS  60          1HG       LYS  60  -9.493   6.680   7.447
  487   2HG   LYS  60          2HG       LYS  60  -9.687   5.175   6.547
  488   1HD   LYS  60          1HD       LYS  60 -10.319   4.000   8.613
  489   2HD   LYS  60          2HD       LYS  60 -10.093   5.487   9.536
  490   1HE   LYS  60          1HE       LYS  60 -11.825   6.566   8.035
  491   2HE   LYS  60          2HE       LYS  60 -12.150   4.962   7.376
  492   1HZ   LYS  60          1HZ       LYS  60 -12.600   4.210   9.666
  493   2HZ   LYS  60          2HZ       LYS  60 -12.422   5.811  10.209
  494   3HZ   LYS  60          3HZ       LYS  60 -13.681   5.408   9.141
  495    H    LYS  61           H        LYS  61  -5.503   6.798   7.838
  496    HA   LYS  61           HA       LYS  61  -6.408   9.322   6.972
  497   1HB   LYS  61          1HB       LYS  61  -4.202  10.168   7.789
  498   2HB   LYS  61          2HB       LYS  61  -5.045   9.159   8.962
  499   1HG   LYS  61          1HG       LYS  61  -3.660   7.250   8.408
  500   2HG   LYS  61          2HG       LYS  61  -2.909   8.128   7.077
  501   1HD   LYS  61          1HD       LYS  61  -2.753   8.999   9.974
  502   2HD   LYS  61          2HD       LYS  61  -1.501   8.064   9.156
  503   1HE   LYS  61          1HE       LYS  61  -1.490   9.929   7.390
  504   2HE   LYS  61          2HE       LYS  61  -2.421  10.877   8.549
  505   1HZ   LYS  61          1HZ       LYS  61  -0.581  10.260  10.180
  506   2HZ   LYS  61          2HZ       LYS  61   0.327   9.826   8.811
  507   3HZ   LYS  61          3HZ       LYS  61  -0.222  11.423   8.999
  508    H    LEU  62           H        LEU  62  -4.006   7.115   5.638
  509    HA   LEU  62           HA       LEU  62  -2.918   8.943   3.737
  510   1HB   LEU  62          1HB       LEU  62  -3.044   5.932   3.721
  511   2HB   LEU  62          2HB       LEU  62  -2.142   6.889   2.567
  512    HG   LEU  62           HG       LEU  62  -1.586   7.220   5.491
  513   1HD1  LEU  62          1HD1      LEU  62  -0.923   4.879   3.734
  514   2HD1  LEU  62          2HD1      LEU  62   0.240   5.403   4.952
  515   3HD1  LEU  62          3HD1      LEU  62  -1.379   4.901   5.437
  516   1HD2  LEU  62          1HD2      LEU  62  -0.278   7.741   2.864
  517   2HD2  LEU  62          2HD2      LEU  62  -0.247   8.701   4.343
  518   3HD2  LEU  62          3HD2      LEU  62   0.780   7.276   4.196
  519    H    MET  63           H        MET  63  -5.428   6.458   3.582
  520    HA   MET  63           HA       MET  63  -6.071   6.628   0.869
  521   1HB   MET  63          1HB       MET  63  -7.702   5.933   3.299
  522   2HB   MET  63          2HB       MET  63  -8.425   5.958   1.692
  523   1HG   MET  63          1HG       MET  63  -6.370   4.484   1.022
  524   2HG   MET  63          2HG       MET  63  -6.248   4.174   2.753
  525   1HE   MET  63          1HE       MET  63  -7.928   3.911  -0.442
  526   2HE   MET  63          2HE       MET  63  -7.339   2.275  -0.163
  527   3HE   MET  63          3HE       MET  63  -9.070   2.566  -0.319
  528    H    GLN  64           H        GLN  64  -7.086   8.623   3.582
  529    HA   GLN  64           HA       GLN  64  -8.895  10.197   1.923
  530   1HB   GLN  64          1HB       GLN  64  -9.099   9.607   4.495
  531   2HB   GLN  64          2HB       GLN  64  -8.087  11.042   4.675
  532   1HG   GLN  64          1HG       GLN  64  -9.697  12.455   3.714
  533   2HG   GLN  64          2HG       GLN  64 -10.533  11.119   2.921
  534   2HE2  GLN  64          2HE2      GLN  64 -11.759  13.098   4.747
  535   1HE2  GLN  64          1HE2      GLN  64 -12.367  12.217   6.064
  536    H    GLN  65           H        GLN  65  -5.685  10.409   3.318
  537    HA   GLN  65           HA       GLN  65  -5.284  13.191   2.803
  538   1HB   GLN  65          1HB       GLN  65  -3.540  10.882   3.548
  539   2HB   GLN  65          2HB       GLN  65  -2.781  12.348   2.927
  540   1HG   GLN  65          1HG       GLN  65  -4.879  12.816   4.959
  541   2HG   GLN  65          2HG       GLN  65  -3.459  11.958   5.552
  542   2HE2  GLN  65          2HE2      GLN  65  -4.678  15.055   4.976
  543   1HE2  GLN  65          1HE2      GLN  65  -3.209  15.904   4.946
  544    H    LEU  66           H        LEU  66  -4.774  10.232   0.989
  545    HA   LEU  66           HA       LEU  66  -3.640  11.785  -1.252
  546   1HB   LEU  66          1HB       LEU  66  -3.771   8.795  -1.135
  547   2HB   LEU  66          2HB       LEU  66  -2.688   9.811  -2.063
  548    HG   LEU  66           HG       LEU  66  -2.560   9.752   0.944
  549   1HD1  LEU  66          1HD1      LEU  66  -1.686   7.701  -1.025
  550   2HD1  LEU  66          2HD1      LEU  66  -0.528   8.129   0.235
  551   3HD1  LEU  66          3HD1      LEU  66  -2.123   7.517   0.673
  552   1HD2  LEU  66          1HD2      LEU  66  -0.936  10.764  -1.336
  553   2HD2  LEU  66          2HD2      LEU  66  -1.149  11.439   0.278
  554   3HD2  LEU  66          3HD2      LEU  66  -0.042  10.090   0.027
  555    HA   PRO  67           HA       PRO  67  -7.419  11.158  -3.439
  556   1HB   PRO  67          1HB       PRO  67  -6.542  11.388  -6.024
  557   2HB   PRO  67          2HB       PRO  67  -6.724  12.754  -4.916
  558   1HG   PRO  67          1HG       PRO  67  -4.257  11.423  -5.864
  559   2HG   PRO  67          2HG       PRO  67  -4.496  13.079  -5.292
  560   1HD   PRO  67          1HD       PRO  67  -3.370  10.933  -3.813
  561   2HD   PRO  67          2HD       PRO  67  -3.856  12.520  -3.172
  562    H    VAL  68           H        VAL  68  -5.218   9.692  -5.805
  563    HA   VAL  68           HA       VAL  68  -5.434   7.008  -5.265
  564    HB   VAL  68           HB       VAL  68  -7.973   8.096  -6.312
  565   1HG1  VAL  68          1HG1      VAL  68  -6.799   5.643  -7.658
  566   2HG1  VAL  68          2HG1      VAL  68  -8.489   6.139  -7.757
  567   3HG1  VAL  68          3HG1      VAL  68  -7.228   7.160  -8.447
  568   1HG2  VAL  68          1HG2      VAL  68  -7.033   6.164  -4.440
  569   2HG2  VAL  68          2HG2      VAL  68  -8.688   6.709  -4.701
  570   3HG2  VAL  68          3HG2      VAL  68  -8.070   5.316  -5.585
  571    H    THR  69           H        THR  69  -4.832   5.659  -7.131
  572    HA   THR  69           HA       THR  69  -2.843   6.907  -8.710
  573    HB   THR  69           HB       THR  69  -3.178   4.613 -10.041
  574    HG1  THR  69           HG1      THR  69  -4.537   3.339  -9.105
  575   1HG2  THR  69          1HG2      THR  69  -2.057   4.943  -7.247
  576   2HG2  THR  69          2HG2      THR  69  -1.735   3.551  -8.281
  577   3HG2  THR  69          3HG2      THR  69  -1.190   5.156  -8.768
  578    H    ALA  70           H        ALA  70  -6.004   5.531  -9.618
  579    HA   ALA  70           HA       ALA  70  -7.410   5.968 -11.385
  580   1HB   ALA  70          1HB       ALA  70  -5.960   8.579 -11.780
  581   2HB   ALA  70          2HB       ALA  70  -7.070   8.338 -10.431
  582   3HB   ALA  70          3HB       ALA  70  -7.656   8.204 -12.089
  583    H    ARG  71           H        ARG  71  -6.498   4.316 -12.661
  584    HA   ARG  71           HA       ARG  71  -4.745   5.305 -14.835
  585   1HB   ARG  71          1HB       ARG  71  -4.706   2.702 -13.332
  586   2HB   ARG  71          2HB       ARG  71  -4.102   2.786 -14.988
  587   1HG   ARG  71          1HG       ARG  71  -2.685   4.773 -14.220
  588   2HG   ARG  71          2HG       ARG  71  -3.109   4.309 -12.572
  589   1HD   ARG  71          1HD       ARG  71  -1.139   3.117 -12.858
  590   2HD   ARG  71          2HD       ARG  71  -2.327   1.920 -13.363
  591    HE   ARG  71           HE       ARG  71  -1.453   2.050 -15.503
  592   1HH1  ARG  71          1HH1      ARG  71  -0.499   4.891 -13.694
  593   2HH1  ARG  71          2HH1      ARG  71   0.538   5.479 -14.947
  594   1HH2  ARG  71          1HH2      ARG  71  -0.090   2.852 -17.110
  595   2HH2  ARG  71          2HH2      ARG  71   0.769   4.336 -16.865

  No H/Q in entry =         595