*HEADER    SH3 PROTOTYPE                           01-APR-00   1E0M
*TITLE     PROTOTYPE WW DOMAIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: WWPROTOTYPE;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: DOMAIN;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI
*SOURCE   3 OTHER_DETAILS: SYNTHETIC GENE
*KEYWDS    WWPROTOTYPE, PROTEIN DESIGN
*EXPDTA    NMR, 10 STRUCTURES
*AUTHOR    M.J.MACIAS,V.GERVAIS,C.CIVERA,H.OSCHKINAT
*REVDAT   1   20-APR-00 1E0M    0
*REVDAT   1   08-JUN-00 1E0M    0




  Entry H atom name         Submitted Coord H atom name
    1    H1   SER   1           H1       SER   1   9.196  10.617  -5.313
    2    H2   SER   1           H2       SER   1   9.330  11.544  -6.722
    3    H3   SER   1           H3       SER   1   8.663   9.991  -6.791
    4    HA   SER   1           HA       SER   1  10.753   9.574  -7.567
    5   1HB   SER   1          1HB       SER   1  11.417  11.974  -7.116
    6   2HB   SER   1          2HB       SER   1  11.876  11.467  -5.491
    7    HG   SER   1           HG       SER   1  13.129   9.782  -6.849
    8    H    MET   2           H        MET   2  10.629   7.499  -6.870
    9    HA   MET   2           HA       MET   2  10.923   5.644  -5.587
   10   1HB   MET   2          1HB       MET   2  13.055   7.439  -4.424
   11   2HB   MET   2          2HB       MET   2  12.887   5.741  -3.999
   12   1HG   MET   2          1HG       MET   2  13.324   5.074  -6.263
   13   2HG   MET   2          2HG       MET   2  13.329   6.755  -6.795
   14   1HE   MET   2          1HE       MET   2  15.456   4.040  -6.664
   15   2HE   MET   2          2HE       MET   2  16.876   4.375  -5.675
   16   3HE   MET   2          3HE       MET   2  15.353   3.927  -4.908
   17    H    GLY   3           H        GLY   3   8.704   6.519  -4.772
   18   1HA   GLY   3          1HA       GLY   3   8.647   7.492  -2.066
   19   2HA   GLY   3          2HA       GLY   3   7.259   6.986  -3.026
   20    H    LEU   4           H        LEU   4   6.466   4.932  -2.816
   21    HA   LEU   4           HA       LEU   4   7.115   3.531  -0.417
   22   1HB   LEU   4          1HB       LEU   4   5.514   2.231  -2.551
   23   2HB   LEU   4          2HB       LEU   4   5.229   2.288  -0.823
   24    HG   LEU   4           HG       LEU   4   4.941   4.848  -2.289
   25   1HD1  LEU   4          1HD1      LEU   4   3.849   2.707  -3.522
   26   2HD1  LEU   4          2HD1      LEU   4   2.555   3.131  -2.399
   27   3HD1  LEU   4          3HD1      LEU   4   3.150   4.327  -3.551
   28   1HD2  LEU   4          1HD2      LEU   4   4.508   4.248   0.217
   29   2HD2  LEU   4          2HD2      LEU   4   3.416   5.335  -0.640
   30   3HD2  LEU   4          3HD2      LEU   4   2.971   3.645  -0.402
   31    HA   PRO   5           HA       PRO   5  10.215   0.593  -1.548
   32   1HB   PRO   5          1HB       PRO   5   9.927  -1.321  -0.285
   33   2HB   PRO   5          2HB       PRO   5   8.231  -1.500  -0.752
   34   1HG   PRO   5          1HG       PRO   5   7.996  -0.629   1.398
   35   2HG   PRO   5          2HG       PRO   5   9.463   0.357   1.252
   36   1HD   PRO   5          1HD       PRO   5   7.941   2.019   0.806
   37   2HD   PRO   5          2HD       PRO   5   6.717   0.876   0.220
   38    HA   PRO   6           HA       PRO   6   9.443  -0.932  -5.608
   39   1HB   PRO   6          1HB       PRO   6  10.779  -3.338  -5.620
   40   2HB   PRO   6          2HB       PRO   6  11.553  -1.761  -5.799
   41   1HG   PRO   6          1HG       PRO   6  11.285  -3.477  -3.365
   42   2HG   PRO   6          2HG       PRO   6  12.680  -2.536  -3.925
   43   1HD   PRO   6          1HD       PRO   6  11.096  -1.656  -1.946
   44   2HD   PRO   6          2HD       PRO   6  11.812  -0.539  -3.127
   45    H    GLY   7           H        GLY   7   8.019  -2.373  -2.987
   46   1HA   GLY   7          1HA       GLY   7   6.480  -4.177  -4.746
   47   2HA   GLY   7          2HA       GLY   7   6.972  -4.673  -3.135
   48    H    TRP   8           H        TRP   8   6.378  -1.557  -2.661
   49    HA   TRP   8           HA       TRP   8   3.621  -2.081  -1.825
   50   1HB   TRP   8          1HB       TRP   8   5.763  -0.181  -0.928
   51   2HB   TRP   8          2HB       TRP   8   4.077   0.178  -0.567
   52    HD1  TRP   8           HD1      TRP   8   6.966  -1.891   0.605
   53    HE1  TRP   8           HE1      TRP   8   6.258  -3.299   2.626
   54    HE3  TRP   8           HE3      TRP   8   1.917  -1.138   0.383
   55    HZ2  TRP   8           HZ2      TRP   8   3.869  -4.006   3.963
   56    HZ3  TRP   8           HZ3      TRP   8   0.489  -2.219   2.076
   57    HH2  TRP   8           HH2      TRP   8   1.452  -3.615   3.826
   58    H    ASP   9           H        ASP   9   2.020  -1.348  -3.048
   59    HA   ASP   9           HA       ASP   9   2.439   1.143  -4.574
   60   1HB   ASP   9          1HB       ASP   9   1.324  -1.486  -5.434
   61   2HB   ASP   9          2HB       ASP   9   0.597  -0.029  -6.104
   62    H    GLU  10           H        GLU  10   0.594   2.487  -4.869
   63    HA   GLU  10           HA       GLU  10  -1.400   2.134  -2.745
   64   1HB   GLU  10          1HB       GLU  10  -1.810   4.669  -3.606
   65   2HB   GLU  10          2HB       GLU  10  -0.693   4.239  -2.322
   66   1HG   GLU  10          1HG       GLU  10   1.123   4.738  -3.549
   67   2HG   GLU  10          2HG       GLU  10   0.412   4.129  -5.045
   68    H    TYR  11           H        TYR  11  -3.530   1.983  -3.135
   69    HA   TYR  11           HA       TYR  11  -4.668   2.752  -5.663
   70   1HB   TYR  11          1HB       TYR  11  -4.232  -0.106  -4.925
   71   2HB   TYR  11          2HB       TYR  11  -5.739   0.318  -5.732
   72    HD1  TYR  11           HD1      TYR  11  -5.440   1.804  -7.902
   73    HD2  TYR  11           HD2      TYR  11  -2.409  -0.668  -6.229
   74    HE1  TYR  11           HE1      TYR  11  -4.297   1.744 -10.078
   75    HE2  TYR  11           HE2      TYR  11  -1.256  -0.734  -8.401
   76    HH   TYR  11           HH       TYR  11  -2.600   0.915 -11.246
   77    H    LYS  12           H        LYS  12  -6.878   3.088  -5.554
   78    HA   LYS  12           HA       LYS  12  -7.969   3.083  -2.850
   79   1HB   LYS  12          1HB       LYS  12  -8.612   4.520  -5.381
   80   2HB   LYS  12          2HB       LYS  12  -9.892   4.305  -4.198
   81   1HG   LYS  12          1HG       LYS  12  -8.442   5.372  -2.498
   82   2HG   LYS  12          2HG       LYS  12  -7.262   5.695  -3.769
   83   1HD   LYS  12          1HD       LYS  12 -10.066   6.571  -4.213
   84   2HD   LYS  12          2HD       LYS  12  -9.082   7.485  -3.068
   85   1HE   LYS  12          1HE       LYS  12  -7.338   7.285  -5.094
   86   2HE   LYS  12          2HE       LYS  12  -8.480   8.618  -4.926
   87   1HZ   LYS  12          1HZ       LYS  12  -9.654   6.402  -6.274
   88   2HZ   LYS  12          2HZ       LYS  12  -9.512   8.010  -6.778
   89   3HZ   LYS  12          3HZ       LYS  12  -8.252   6.919  -7.066
   90    H    THR  13           H        THR  13  -9.369   1.622  -2.158
   91    HA   THR  13           HA       THR  13 -10.290  -0.464  -3.882
   92    HB   THR  13           HB       THR  13 -11.550  -0.218  -1.226
   93    HG1  THR  13           HG1      THR  13  -9.376   0.645  -0.937
   94   1HG2  THR  13          1HG2      THR  13 -11.201  -2.217  -3.028
   95   2HG2  THR  13          2HG2      THR  13  -9.862  -2.521  -1.922
   96   3HG2  THR  13          3HG2      THR  13 -11.515  -2.471  -1.311
   97    H    HIS  14           H        HIS  14 -12.861  -0.918  -2.672
   98    HA   HIS  14           HA       HIS  14 -14.532   0.303  -4.515
   99   1HB   HIS  14          1HB       HIS  14 -16.368  -0.628  -3.286
  100   2HB   HIS  14          2HB       HIS  14 -15.418  -0.699  -1.805
  101    HD1  HIS  14           HD1      HIS  14 -14.205  -1.933  -5.157
  102    HD2  HIS  14           HD2      HIS  14 -15.462  -3.432  -1.491
  103    HE1  HIS  14           HE1      HIS  14 -13.706  -4.397  -5.231
  104    HE2  HIS  14           HE2      HIS  14 -14.475  -5.285  -3.001
  105    H    ASN  15           H        ASN  15 -14.631   0.963  -1.002
  106    HA   ASN  15           HA       ASN  15 -16.204   3.252  -1.182
  107   1HB   ASN  15          1HB       ASN  15 -15.213   3.818   1.087
  108   2HB   ASN  15          2HB       ASN  15 -15.969   2.234   0.951
  109   2HD2  ASN  15          2HD2      ASN  15 -14.819   0.484   1.441
  110   1HD2  ASN  15          1HD2      ASN  15 -13.128   0.475   1.794
  111    H    GLY  16           H        GLY  16 -12.764   2.829  -1.602
  112   1HA   GLY  16          1HA       GLY  16 -11.696   4.465  -3.087
  113   2HA   GLY  16          2HA       GLY  16 -12.563   5.715  -2.210
  114    H    LYS  17           H        LYS  17 -11.203   3.110  -0.373
  115    HA   LYS  17           HA       LYS  17  -9.440   4.958   0.962
  116   1HB   LYS  17          1HB       LYS  17 -10.676   3.061   2.116
  117   2HB   LYS  17          2HB       LYS  17  -8.977   3.233   2.519
  118   1HG   LYS  17          1HG       LYS  17  -9.224   1.435   0.320
  119   2HG   LYS  17          2HG       LYS  17  -8.600   1.145   1.943
  120   1HD   LYS  17          1HD       LYS  17 -11.118   1.056   2.598
  121   2HD   LYS  17          2HD       LYS  17 -11.363   0.743   0.878
  122   1HE   LYS  17          1HE       LYS  17  -9.308  -0.961   1.524
  123   2HE   LYS  17          2HE       LYS  17 -10.317  -1.000   2.970
  124   1HZ   LYS  17          1HZ       LYS  17 -11.827  -1.172   0.534
  125   2HZ   LYS  17          2HZ       LYS  17 -10.734  -2.449   0.716
  126   3HZ   LYS  17          3HZ       LYS  17 -11.889  -2.148   1.915
  127    H    THR  18           H        THR  18  -7.447   5.427   0.348
  128    HA   THR  18           HA       THR  18  -6.238   4.104  -1.889
  129    HB   THR  18           HB       THR  18  -4.696   5.946  -0.098
  130    HG1  THR  18           HG1      THR  18  -5.762   7.589  -1.659
  131   1HG2  THR  18          1HG2      THR  18  -4.755   5.252  -3.013
  132   2HG2  THR  18          2HG2      THR  18  -4.047   6.774  -2.470
  133   3HG2  THR  18          3HG2      THR  18  -3.393   5.241  -1.891
  134    H    TYR  19           H        TYR  19  -6.290   1.958  -0.885
  135    HA   TYR  19           HA       TYR  19  -4.557   1.467   1.348
  136   1HB   TYR  19          1HB       TYR  19  -5.466  -0.644   1.433
  137   2HB   TYR  19          2HB       TYR  19  -6.770   0.235   0.640
  138    HD1  TYR  19           HD1      TYR  19  -7.152  -0.053  -1.790
  139    HD2  TYR  19           HD2      TYR  19  -4.290  -2.394   0.316
  140    HE1  TYR  19           HE1      TYR  19  -7.115  -1.668  -3.644
  141    HE2  TYR  19           HE2      TYR  19  -4.245  -4.014  -1.532
  142    HH   TYR  19           HH       TYR  19  -4.770  -4.204  -3.826
  143    H    TYR  20           H        TYR  20  -2.585   0.635   1.381
  144    HA   TYR  20           HA       TYR  20  -1.161   0.412  -1.164
  145   1HB   TYR  20          1HB       TYR  20  -0.018   0.500   1.637
  146   2HB   TYR  20          2HB       TYR  20   0.865   0.701   0.127
  147    HD1  TYR  20           HD1      TYR  20  -1.603   2.280   2.381
  148    HD2  TYR  20           HD2      TYR  20   0.991   2.817  -0.948
  149    HE1  TYR  20           HE1      TYR  20  -1.938   4.712   2.521
  150    HE2  TYR  20           HE2      TYR  20   0.662   5.252  -0.818
  151    HH   TYR  20           HH       TYR  20  -1.395   6.781   0.204
  152    H    TYR  21           H        TYR  21  -0.213  -1.475  -1.822
  153    HA   TYR  21           HA       TYR  21  -0.541  -3.809  -0.058
  154   1HB   TYR  21          1HB       TYR  21  -2.265  -3.825  -1.796
  155   2HB   TYR  21          2HB       TYR  21  -1.030  -3.685  -3.044
  156    HD1  TYR  21           HD1      TYR  21  -0.453  -5.618  -4.152
  157    HD2  TYR  21           HD2      TYR  21  -1.841  -5.904  -0.141
  158    HE1  TYR  21           HE1      TYR  21  -0.304  -8.069  -4.280
  159    HE2  TYR  21           HE2      TYR  21  -1.695  -8.355  -0.259
  160    HH   TYR  21           HH       TYR  21  -1.718 -10.119  -2.007
  161    H    ASN  22           H        ASN  22   1.040  -5.333  -0.061
  162    HA   ASN  22           HA       ASN  22   3.504  -4.658  -1.524
  163   1HB   ASN  22          1HB       ASN  22   3.604  -4.664   0.988
  164   2HB   ASN  22          2HB       ASN  22   3.244  -6.388   0.944
  165   2HD2  ASN  22          2HD2      ASN  22   5.382  -4.264  -0.933
  166   1HD2  ASN  22          1HD2      ASN  22   6.812  -5.199  -0.680
  167    H    HIS  23           H        HIS  23   3.887  -5.906  -3.229
  168    HA   HIS  23           HA       HIS  23   2.621  -8.504  -3.454
  169   1HB   HIS  23          1HB       HIS  23   2.636  -8.098  -5.650
  170   2HB   HIS  23          2HB       HIS  23   4.373  -7.828  -5.657
  171    HD1  HIS  23           HD1      HIS  23   1.422  -5.782  -4.372
  172    HD2  HIS  23           HD2      HIS  23   4.835  -5.391  -6.708
  173    HE1  HIS  23           HE1      HIS  23   1.474  -3.372  -5.087
  174    HE2  HIS  23           HE2      HIS  23   3.548  -3.156  -6.500
  175    H    ASN  24           H        ASN  24   5.167  -7.695  -1.803
  176    HA   ASN  24           HA       ASN  24   6.969  -9.763  -2.853
  177   1HB   ASN  24          1HB       ASN  24   8.653  -8.799  -1.327
  178   2HB   ASN  24          2HB       ASN  24   7.457  -7.644  -0.745
  179   2HD2  ASN  24          2HD2      ASN  24   8.666  -5.885  -1.389
  180   1HD2  ASN  24          1HD2      ASN  24   8.853  -5.445  -3.048
  181    H    THR  25           H        THR  25   4.926  -8.911  -0.180
  182    HA   THR  25           HA       THR  25   5.383 -11.566   0.985
  183    HB   THR  25           HB       THR  25   5.522 -10.764   3.207
  184    HG1  THR  25           HG1      THR  25   5.200  -8.077   2.395
  185   1HG2  THR  25          1HG2      THR  25   7.184  -9.086   1.340
  186   2HG2  THR  25          2HG2      THR  25   7.395  -9.046   3.091
  187   3HG2  THR  25          3HG2      THR  25   7.654 -10.549   2.207
  188    H    LYS  26           H        LYS  26   3.272  -9.803  -0.547
  189    HA   LYS  26           HA       LYS  26   1.014  -9.615  -0.670
  190   1HB   LYS  26          1HB       LYS  26  -0.224 -11.541  -0.243
  191   2HB   LYS  26          2HB       LYS  26   0.727 -11.963   1.174
  192   1HG   LYS  26          1HG       LYS  26   2.635 -12.205  -0.653
  193   2HG   LYS  26          2HG       LYS  26   1.524 -13.520  -0.268
  194   1HD   LYS  26          1HD       LYS  26   0.058 -12.687  -2.133
  195   2HD   LYS  26          2HD       LYS  26   1.378 -11.607  -2.581
  196   1HE   LYS  26          1HE       LYS  26   2.369 -14.260  -2.210
  197   2HE   LYS  26          2HE       LYS  26   1.015 -14.285  -3.337
  198   1HZ   LYS  26          1HZ       LYS  26   3.147 -12.283  -3.661
  199   2HZ   LYS  26          2HZ       LYS  26   3.398 -13.864  -4.208
  200   3HZ   LYS  26          3HZ       LYS  26   2.118 -12.948  -4.827
  201    H    THR  27           H        THR  27   1.432  -7.660   0.705
  202    HA   THR  27           HA       THR  27   0.023  -7.928   3.289
  203    HB   THR  27           HB       THR  27   2.047  -5.781   2.697
  204    HG1  THR  27           HG1      THR  27   2.905  -7.690   4.418
  205   1HG2  THR  27          1HG2      THR  27   0.194  -5.905   4.655
  206   2HG2  THR  27          2HG2      THR  27   1.529  -6.764   5.427
  207   3HG2  THR  27          3HG2      THR  27   1.763  -5.117   4.838
  208    H    SER  28           H        SER  28  -1.992  -7.201   2.971
  209    HA   SER  28           HA       SER  28  -2.378  -4.788   1.344
  210   1HB   SER  28          1HB       SER  28  -4.877  -5.559   1.642
  211   2HB   SER  28          2HB       SER  28  -3.830  -6.369   0.475
  212    HG   SER  28           HG       SER  28  -4.316  -8.106   1.540
  213    H    THR  29           H        THR  29  -2.648  -2.927   2.344
  214    HA   THR  29           HA       THR  29  -4.295  -2.733   4.724
  215    HB   THR  29           HB       THR  29  -1.936  -3.218   5.532
  216    HG1  THR  29           HG1      THR  29  -2.877  -2.253   7.168
  217   1HG2  THR  29          1HG2      THR  29  -1.479  -0.559   4.214
  218   2HG2  THR  29          2HG2      THR  29  -0.482  -1.111   5.560
  219   3HG2  THR  29          3HG2      THR  29  -0.539  -2.044   4.065
  220    H    TRP  30           H        TRP  30  -4.646  -0.395   5.331
  221    HA   TRP  30           HA       TRP  30  -4.656   1.218   2.883
  222   1HB   TRP  30          1HB       TRP  30  -6.042   2.570   4.963
  223   2HB   TRP  30          2HB       TRP  30  -6.705   1.848   3.502
  224    HD1  TRP  30           HD1      TRP  30  -6.990   1.646   7.131
  225    HE1  TRP  30           HE1      TRP  30  -8.229  -0.496   7.845
  226    HE3  TRP  30           HE3      TRP  30  -6.812  -0.890   2.711
  227    HZ2  TRP  30           HZ2      TRP  30  -9.027  -2.943   6.677
  228    HZ3  TRP  30           HZ3      TRP  30  -7.831  -3.128   2.585
  229    HH2  TRP  30           HH2      TRP  30  -8.918  -4.130   4.529
  230    H    THR  31           H        THR  31  -2.954   0.860   5.753
  231    HA   THR  31           HA       THR  31  -2.254   3.620   6.167
  232    HB   THR  31           HB       THR  31  -0.644   1.325   7.232
  233    HG1  THR  31           HG1      THR  31  -2.766   0.747   7.706
  234   1HG2  THR  31          1HG2      THR  31  -0.486   4.046   7.561
  235   2HG2  THR  31          2HG2      THR  31  -1.391   3.534   8.986
  236   3HG2  THR  31          3HG2      THR  31   0.196   2.840   8.652
  237    H    ASP  32           H        ASP  32  -0.299   4.611   5.740
  238    HA   ASP  32           HA       ASP  32   0.937   3.946   3.293
  239   1HB   ASP  32          1HB       ASP  32   0.747   6.244   4.442
  240   2HB   ASP  32          2HB       ASP  32   2.167   5.757   5.363
  241    HA   PRO  33           HA       PRO  33   3.830   0.908   4.810
  242   1HB   PRO  33          1HB       PRO  33   5.311   0.670   2.544
  243   2HB   PRO  33          2HB       PRO  33   3.714  -0.056   2.732
  244   1HG   PRO  33          1HG       PRO  33   4.496   2.485   1.362
  245   2HG   PRO  33          2HG       PRO  33   3.365   1.229   0.830
  246   1HD   PRO  33          1HD       PRO  33   2.543   3.548   1.957
  247   2HD   PRO  33          2HD       PRO  33   1.662   2.018   2.156
  248    H    ARG  34           H        ARG  34   4.718   3.948   3.383
  249    HA   ARG  34           HA       ARG  34   7.476   3.930   3.935
  250   1HB   ARG  34          1HB       ARG  34   5.686   6.362   3.915
  251   2HB   ARG  34          2HB       ARG  34   7.410   6.308   3.582
  252   1HG   ARG  34          1HG       ARG  34   6.170   4.547   1.772
  253   2HG   ARG  34          2HG       ARG  34   5.216   6.030   1.787
  254   1HD   ARG  34          1HD       ARG  34   8.207   6.083   1.559
  255   2HD   ARG  34          2HD       ARG  34   7.178   5.879   0.142
  256    HE   ARG  34           HE       ARG  34   6.240   8.058   0.605
  257   1HH1  ARG  34          1HH1      ARG  34   6.799  10.228   1.033
  258   2HH1  ARG  34          2HH1      ARG  34   8.239  10.576   1.930
  259   1HH2  ARG  34          1HH2      ARG  34   9.139   7.224   2.350
  260   2HH2  ARG  34          2HH2      ARG  34   9.569   8.868   2.678
  261    H    MET  35           H        MET  35   4.684   4.614   5.913
  262    HA   MET  35           HA       MET  35   6.295   5.675   8.084
  263   1HB   MET  35          1HB       MET  35   3.325   5.173   7.843
  264   2HB   MET  35          2HB       MET  35   4.103   5.880   9.253
  265   1HG   MET  35          1HG       MET  35   4.613   7.832   8.177
  266   2HG   MET  35          2HG       MET  35   4.499   7.110   6.572
  267   1HE   MET  35          1HE       MET  35   2.917   8.075   9.708
  268   2HE   MET  35          2HE       MET  35   1.663   9.189   9.160
  269   3HE   MET  35          3HE       MET  35   1.257   7.510   9.520
  270    H    SER  36           H        SER  36   3.593   3.466   8.544
  271    HA   SER  36           HA       SER  36   5.174   1.207   9.254
  272   1HB   SER  36          1HB       SER  36   5.284   3.031  11.214
  273   2HB   SER  36          2HB       SER  36   3.761   2.260  11.655
  274    HG   SER  36           HG       SER  36   5.510   1.223  12.659
  275    H    SER  37           H        SER  37   3.938  -0.452   8.718
  276    HA   SER  37           HA       SER  37   1.142  -0.512   9.532
  277   1HB   SER  37          1HB       SER  37   1.464   0.449   7.117
  278   2HB   SER  37          2HB       SER  37   0.219  -0.767   7.407
  279    HG   SER  37           HG       SER  37   2.782  -1.631   6.702
  280    H1   SER   1           H1       SER   1  12.644   8.253  -6.879
  281    H2   SER   1           H2       SER   1  11.720   9.655  -6.684
  282    H3   SER   1           H3       SER   1  13.008   9.637  -7.780
  283    HA   SER   1           HA       SER   1  14.598   9.416  -6.021
  284   1HB   SER   1          1HB       SER   1  12.632  11.606  -5.320
  285   2HB   SER   1          2HB       SER   1  14.383  11.629  -5.113
  286    HG   SER   1           HG       SER   1  13.433  11.193  -7.687
  287    H    MET   2           H        MET   2  11.305   9.770  -4.708
  288    HA   MET   2           HA       MET   2  12.008   7.971  -2.528
  289   1HB   MET   2          1HB       MET   2  11.683  10.850  -2.222
  290   2HB   MET   2          2HB       MET   2  10.565   9.947  -1.210
  291   1HG   MET   2          1HG       MET   2  12.269   8.931  -0.012
  292   2HG   MET   2          2HG       MET   2  13.472   9.254  -1.259
  293   1HE   MET   2          1HE       MET   2  15.232  10.113  -0.153
  294   2HE   MET   2          2HE       MET   2  15.097  11.592  -1.102
  295   3HE   MET   2          3HE       MET   2  15.373  11.683   0.637
  296    H    GLY   3           H        GLY   3  10.372   6.645  -2.015
  297   1HA   GLY   3          1HA       GLY   3   7.637   7.341  -2.069
  298   2HA   GLY   3          2HA       GLY   3   8.050   6.512  -3.567
  299    H    LEU   4           H        LEU   4   6.449   4.953  -2.765
  300    HA   LEU   4           HA       LEU   4   6.836   3.401  -0.449
  301   1HB   LEU   4          1HB       LEU   4   5.611   2.216  -2.890
  302   2HB   LEU   4          2HB       LEU   4   5.097   2.093  -1.220
  303    HG   LEU   4           HG       LEU   4   4.898   4.784  -2.414
  304   1HD1  LEU   4          1HD1      LEU   4   4.123   2.761  -4.055
  305   2HD1  LEU   4          2HD1      LEU   4   2.640   3.069  -3.152
  306   3HD1  LEU   4          3HD1      LEU   4   3.414   4.377  -4.046
  307   1HD2  LEU   4          1HD2      LEU   4   4.122   4.036  -0.123
  308   2HD2  LEU   4          2HD2      LEU   4   2.947   4.915  -1.102
  309   3HD2  LEU   4          3HD2      LEU   4   2.835   3.161  -0.954
  310    HA   PRO   5           HA       PRO   5  10.209   0.655  -1.272
  311   1HB   PRO   5          1HB       PRO   5   8.292  -1.535  -0.606
  312   2HB   PRO   5          2HB       PRO   5   9.914  -1.228   0.023
  313   1HG   PRO   5          1HG       PRO   5   7.764  -0.651   1.478
  314   2HG   PRO   5          2HG       PRO   5   9.181   0.411   1.484
  315   1HD   PRO   5          1HD       PRO   5   7.635   1.988   0.856
  316   2HD   PRO   5          2HD       PRO   5   6.539   0.779   0.159
  317    HA   PRO   6           HA       PRO   6   9.789  -1.024  -5.334
  318   1HB   PRO   6          1HB       PRO   6  11.185  -3.378  -5.212
  319   2HB   PRO   6          2HB       PRO   6  11.940  -1.784  -5.317
  320   1HG   PRO   6          1HG       PRO   6  12.903  -2.561  -3.347
  321   2HG   PRO   6          2HG       PRO   6  11.465  -3.505  -2.912
  322   1HD   PRO   6          1HD       PRO   6  11.137  -1.676  -1.530
  323   2HD   PRO   6          2HD       PRO   6  11.958  -0.564  -2.645
  324    H    GLY   7           H        GLY   7   8.093  -2.303  -2.865
  325   1HA   GLY   7          1HA       GLY   7   6.772  -4.233  -4.656
  326   2HA   GLY   7          2HA       GLY   7   7.154  -4.682  -3.003
  327    H    TRP   8           H        TRP   8   6.488  -1.664  -2.431
  328    HA   TRP   8           HA       TRP   8   3.684  -2.218  -1.859
  329   1HB   TRP   8          1HB       TRP   8   5.684  -0.211  -0.854
  330   2HB   TRP   8          2HB       TRP   8   3.962   0.040  -0.586
  331    HD1  TRP   8           HD1      TRP   8   6.899  -2.024   0.613
  332    HE1  TRP   8           HE1      TRP   8   6.185  -3.397   2.656
  333    HE3  TRP   8           HE3      TRP   8   1.869  -1.137   0.469
  334    HZ2  TRP   8           HZ2      TRP   8   3.801  -4.029   4.040
  335    HZ3  TRP   8           HZ3      TRP   8   0.439  -2.169   2.190
  336    HH2  TRP   8           HH2      TRP   8   1.390  -3.577   3.939
  337    H    ASP   9           H        ASP   9   2.008  -1.228  -2.813
  338    HA   ASP   9           HA       ASP   9   2.525   1.143  -4.471
  339   1HB   ASP   9          1HB       ASP   9   2.367  -1.052  -5.806
  340   2HB   ASP   9          2HB       ASP   9   1.363   0.297  -6.329
  341    H    GLU  10           H        GLU  10   0.543   2.379  -4.971
  342    HA   GLU  10           HA       GLU  10  -1.440   2.086  -2.809
  343   1HB   GLU  10          1HB       GLU  10  -1.710   4.681  -3.574
  344   2HB   GLU  10          2HB       GLU  10  -0.696   4.141  -2.245
  345   1HG   GLU  10          1HG       GLU  10   1.210   4.624  -3.329
  346   2HG   GLU  10          2HG       GLU  10   0.582   4.094  -4.888
  347    H    TYR  11           H        TYR  11  -3.561   2.082  -3.278
  348    HA   TYR  11           HA       TYR  11  -4.596   3.039  -5.775
  349   1HB   TYR  11          1HB       TYR  11  -4.061   0.172  -5.372
  350   2HB   TYR  11          2HB       TYR  11  -5.700   0.535  -5.900
  351    HD1  TYR  11           HD1      TYR  11  -5.877   2.171  -7.950
  352    HD2  TYR  11           HD2      TYR  11  -2.403  -0.080  -6.969
  353    HE1  TYR  11           HE1      TYR  11  -5.089   2.387 -10.270
  354    HE2  TYR  11           HE2      TYR  11  -1.606   0.128  -9.286
  355    HH   TYR  11           HH       TYR  11  -1.960   1.730 -11.218
  356    H    LYS  12           H        LYS  12  -6.881   3.231  -5.758
  357    HA   LYS  12           HA       LYS  12  -7.976   3.135  -3.051
  358   1HB   LYS  12          1HB       LYS  12  -8.596   4.691  -5.511
  359   2HB   LYS  12          2HB       LYS  12  -9.904   4.389  -4.379
  360   1HG   LYS  12          1HG       LYS  12  -8.566   5.403  -2.587
  361   2HG   LYS  12          2HG       LYS  12  -7.302   5.765  -3.763
  362   1HD   LYS  12          1HD       LYS  12 -10.120   6.708  -4.170
  363   2HD   LYS  12          2HD       LYS  12  -8.985   7.620  -3.173
  364   1HE   LYS  12          1HE       LYS  12  -7.423   7.346  -5.264
  365   2HE   LYS  12          2HE       LYS  12  -8.952   7.109  -6.109
  366   1HZ   LYS  12          1HZ       LYS  12  -9.561   9.273  -4.758
  367   2HZ   LYS  12          2HZ       LYS  12  -7.888   9.511  -4.833
  368   3HZ   LYS  12          3HZ       LYS  12  -8.784   9.350  -6.258
  369    H    THR  13           H        THR  13  -9.456   1.720  -2.421
  370    HA   THR  13           HA       THR  13 -10.283  -0.396  -4.151
  371    HB   THR  13           HB       THR  13 -11.632  -1.165  -2.209
  372    HG1  THR  13           HG1      THR  13 -12.110   0.240  -0.710
  373   1HG2  THR  13          1HG2      THR  13  -9.103  -1.551  -2.517
  374   2HG2  THR  13          2HG2      THR  13  -8.914  -0.377  -1.214
  375   3HG2  THR  13          3HG2      THR  13  -9.809  -1.871  -0.933
  376    H    HIS  14           H        HIS  14 -12.915  -0.857  -3.257
  377    HA   HIS  14           HA       HIS  14 -14.418   0.510  -5.182
  378   1HB   HIS  14          1HB       HIS  14 -14.862  -1.540  -3.225
  379   2HB   HIS  14          2HB       HIS  14 -16.186  -0.384  -3.153
  380    HD1  HIS  14           HD1      HIS  14 -16.562   0.290  -6.089
  381    HD2  HIS  14           HD2      HIS  14 -15.907  -3.570  -4.693
  382    HE1  HIS  14           HE1      HIS  14 -17.493  -1.233  -7.861
  383    HE2  HIS  14           HE2      HIS  14 -17.085  -3.564  -6.996
  384    H    ASN  15           H        ASN  15 -14.479   0.874  -1.633
  385    HA   ASN  15           HA       ASN  15 -16.222   3.077  -1.600
  386   1HB   ASN  15          1HB       ASN  15 -14.829   1.517   0.304
  387   2HB   ASN  15          2HB       ASN  15 -16.111   2.685   0.596
  388   2HD2  ASN  15          2HD2      ASN  15 -12.684   2.136   0.572
  389   1HD2  ASN  15          1HD2      ASN  15 -12.247   3.554   1.457
  390    H    GLY  16           H        GLY  16 -12.715   2.841  -1.828
  391   1HA   GLY  16          1HA       GLY  16 -11.712   4.612  -3.253
  392   2HA   GLY  16          2HA       GLY  16 -12.636   5.758  -2.297
  393    H    LYS  17           H        LYS  17 -11.213   3.082  -0.616
  394    HA   LYS  17           HA       LYS  17  -9.491   4.901   0.820
  395   1HB   LYS  17          1HB       LYS  17 -10.783   2.864   1.792
  396   2HB   LYS  17          2HB       LYS  17  -9.165   3.211   2.381
  397   1HG   LYS  17          1HG       LYS  17  -9.617   1.238   0.168
  398   2HG   LYS  17          2HG       LYS  17  -8.241   1.406   1.250
  399   1HD   LYS  17          1HD       LYS  17  -9.742   0.781   3.142
  400   2HD   LYS  17          2HD       LYS  17  -9.480  -0.504   1.963
  401   1HE   LYS  17          1HE       LYS  17 -11.928   1.089   2.535
  402   2HE   LYS  17          2HE       LYS  17 -11.664   0.516   0.889
  403   1HZ   LYS  17          1HZ       LYS  17 -11.149  -1.639   2.532
  404   2HZ   LYS  17          2HZ       LYS  17 -12.552  -0.930   3.157
  405   3HZ   LYS  17          3HZ       LYS  17 -12.500  -1.414   1.538
  406    H    THR  18           H        THR  18  -7.450   5.341   0.285
  407    HA   THR  18           HA       THR  18  -6.263   4.123  -2.021
  408    HB   THR  18           HB       THR  18  -4.645   5.770  -0.119
  409    HG1  THR  18           HG1      THR  18  -5.619   7.629  -1.317
  410   1HG2  THR  18          1HG2      THR  18  -4.789   5.315  -3.075
  411   2HG2  THR  18          2HG2      THR  18  -4.018   6.767  -2.435
  412   3HG2  THR  18          3HG2      THR  18  -3.404   5.174  -1.991
  413    H    TYR  19           H        TYR  19  -6.452   1.933  -1.106
  414    HA   TYR  19           HA       TYR  19  -4.909   1.154   1.131
  415   1HB   TYR  19          1HB       TYR  19  -5.803  -0.933   0.825
  416   2HB   TYR  19          2HB       TYR  19  -6.976   0.017  -0.084
  417    HD1  TYR  19           HD1      TYR  19  -6.907  -0.007  -2.569
  418    HD2  TYR  19           HD2      TYR  19  -4.416  -2.547  -0.237
  419    HE1  TYR  19           HE1      TYR  19  -6.505  -1.415  -4.543
  420    HE2  TYR  19           HE2      TYR  19  -4.006  -3.962  -2.205
  421    HH   TYR  19           HH       TYR  19  -5.669  -4.257  -4.638
  422    H    TYR  20           H        TYR  20  -2.916   0.421   1.312
  423    HA   TYR  20           HA       TYR  20  -1.214   0.430  -1.079
  424   1HB   TYR  20          1HB       TYR  20  -0.310   0.490   1.804
  425   2HB   TYR  20          2HB       TYR  20   0.654   0.842   0.375
  426    HD1  TYR  20           HD1      TYR  20  -1.900   2.133   2.669
  427    HD2  TYR  20           HD2      TYR  20   0.504   2.983  -0.736
  428    HE1  TYR  20           HE1      TYR  20  -2.436   4.522   2.894
  429    HE2  TYR  20           HE2      TYR  20  -0.025   5.375  -0.520
  430    HH   TYR  20           HH       TYR  20  -1.202   6.910   0.572
  431    H    TYR  21           H        TYR  21  -0.287  -1.431  -1.752
  432    HA   TYR  21           HA       TYR  21  -0.447  -3.760   0.038
  433   1HB   TYR  21          1HB       TYR  21  -2.322  -3.899  -1.488
  434   2HB   TYR  21          2HB       TYR  21  -1.265  -3.633  -2.870
  435    HD1  TYR  21           HD1      TYR  21  -0.670  -5.483  -4.109
  436    HD2  TYR  21           HD2      TYR  21  -1.579  -5.993   0.014
  437    HE1  TYR  21           HE1      TYR  21  -0.363  -7.911  -4.348
  438    HE2  TYR  21           HE2      TYR  21  -1.274  -8.423  -0.213
  439    HH   TYR  21           HH       TYR  21  -1.206 -10.130  -1.810
  440    H    ASN  22           H        ASN  22   1.170  -5.206  -0.036
  441    HA   ASN  22           HA       ASN  22   3.436  -4.610  -1.820
  442   1HB   ASN  22          1HB       ASN  22   3.760  -4.459   0.713
  443   2HB   ASN  22          2HB       ASN  22   3.575  -6.209   0.737
  444   2HD2  ASN  22          2HD2      ASN  22   5.836  -5.418   1.717
  445   1HD2  ASN  22          1HD2      ASN  22   7.153  -5.623   0.617
  446    H    HIS  23           H        HIS  23   3.728  -6.018  -3.416
  447    HA   HIS  23           HA       HIS  23   2.374  -8.574  -3.357
  448   1HB   HIS  23          1HB       HIS  23   2.304  -8.358  -5.580
  449   2HB   HIS  23          2HB       HIS  23   4.047  -8.161  -5.685
  450    HD1  HIS  23           HD1      HIS  23   1.351  -5.840  -4.321
  451    HD2  HIS  23           HD2      HIS  23   4.435  -5.897  -7.105
  452    HE1  HIS  23           HE1      HIS  23   1.429  -3.519  -5.283
  453    HE2  HIS  23           HE2      HIS  23   3.303  -3.575  -6.968
  454    H    ASN  24           H        ASN  24   5.249  -7.554  -2.191
  455    HA   ASN  24           HA       ASN  24   6.804  -9.875  -3.033
  456   1HB   ASN  24          1HB       ASN  24   7.542  -7.562  -1.226
  457   2HB   ASN  24          2HB       ASN  24   8.641  -8.834  -1.748
  458   2HD2  ASN  24          2HD2      ASN  24   8.967  -6.052  -2.160
  459   1HD2  ASN  24          1HD2      ASN  24   8.977  -5.776  -3.865
  460    H    THR  25           H        THR  25   4.978  -8.690  -0.345
  461    HA   THR  25           HA       THR  25   5.571 -11.170   1.121
  462    HB   THR  25           HB       THR  25   5.717 -10.078   3.203
  463    HG1  THR  25           HG1      THR  25   5.358  -7.689   3.230
  464   1HG2  THR  25          1HG2      THR  25   7.263  -8.830   1.004
  465   2HG2  THR  25          2HG2      THR  25   7.311  -8.023   2.572
  466   3HG2  THR  25          3HG2      THR  25   7.824  -9.705   2.429
  467    H    LYS  26           H        LYS  26   3.339  -9.698  -0.572
  468    HA   LYS  26           HA       LYS  26   1.069  -9.568  -0.628
  469   1HB   LYS  26          1HB       LYS  26   0.008 -11.586  -0.270
  470   2HB   LYS  26          2HB       LYS  26   0.879 -11.902   1.224
  471   1HG   LYS  26          1HG       LYS  26   2.902 -12.403  -0.073
  472   2HG   LYS  26          2HG       LYS  26   1.554 -13.466  -0.486
  473   1HD   LYS  26          1HD       LYS  26   1.172 -11.522  -2.300
  474   2HD   LYS  26          2HD       LYS  26   2.923 -11.412  -2.110
  475   1HE   LYS  26          1HE       LYS  26   3.290 -13.400  -3.102
  476   2HE   LYS  26          2HE       LYS  26   1.863 -14.139  -2.376
  477   1HZ   LYS  26          1HZ       LYS  26   0.673 -12.513  -4.055
  478   2HZ   LYS  26          2HZ       LYS  26   2.126 -12.695  -4.901
  479   3HZ   LYS  26          3HZ       LYS  26   1.191 -14.054  -4.524
  480    H    THR  27           H        THR  27   1.452  -7.596   0.785
  481    HA   THR  27           HA       THR  27  -0.057  -7.934   3.300
  482    HB   THR  27           HB       THR  27   2.211  -5.983   2.893
  483    HG1  THR  27           HG1      THR  27   2.151  -8.337   4.498
  484   1HG2  THR  27          1HG2      THR  27   0.281  -5.446   4.505
  485   2HG2  THR  27          2HG2      THR  27   0.927  -6.757   5.494
  486   3HG2  THR  27          3HG2      THR  27   1.929  -5.352   5.128
  487    H    SER  28           H        SER  28  -1.985  -7.035   3.004
  488    HA   SER  28           HA       SER  28  -2.161  -4.524   1.481
  489   1HB   SER  28          1HB       SER  28  -4.482  -5.043   1.075
  490   2HB   SER  28          2HB       SER  28  -3.528  -6.473   0.681
  491    HG   SER  28           HG       SER  28  -4.961  -6.018   3.089
  492    H    THR  29           H        THR  29  -2.695  -2.691   2.488
  493    HA   THR  29           HA       THR  29  -4.319  -2.626   4.853
  494    HB   THR  29           HB       THR  29  -1.949  -3.263   5.643
  495    HG1  THR  29           HG1      THR  29  -2.322  -1.184   7.196
  496   1HG2  THR  29          1HG2      THR  29  -1.513  -0.345   5.015
  497   2HG2  THR  29          2HG2      THR  29  -0.438  -1.345   5.993
  498   3HG2  THR  29          3HG2      THR  29  -0.674  -1.714   4.283
  499    H    TRP  30           H        TRP  30  -4.987  -0.497   5.405
  500    HA   TRP  30           HA       TRP  30  -4.801   1.360   3.208
  501   1HB   TRP  30          1HB       TRP  30  -6.027   2.359   5.689
  502   2HB   TRP  30          2HB       TRP  30  -6.650   2.358   4.045
  503    HD1  TRP  30           HD1      TRP  30  -7.833   1.274   7.106
  504    HE1  TRP  30           HE1      TRP  30  -9.231  -0.884   6.994
  505    HE3  TRP  30           HE3      TRP  30  -6.346  -0.415   2.525
  506    HZ2  TRP  30           HZ2      TRP  30  -9.651  -3.019   5.195
  507    HZ3  TRP  30           HZ3      TRP  30  -7.289  -2.526   1.678
  508    HH2  TRP  30           HH2      TRP  30  -8.910  -3.799   2.987
  509    H    THR  31           H        THR  31  -2.874   0.687   5.813
  510    HA   THR  31           HA       THR  31  -2.062   3.398   6.426
  511    HB   THR  31           HB       THR  31  -0.465   0.991   7.205
  512    HG1  THR  31           HG1      THR  31  -2.617   0.465   7.746
  513   1HG2  THR  31          1HG2      THR  31   0.257   3.357   7.692
  514   2HG2  THR  31          2HG2      THR  31  -1.136   3.474   8.768
  515   3HG2  THR  31          3HG2      THR  31   0.134   2.296   9.095
  516    H    ASP  32           H        ASP  32  -0.225   4.387   5.849
  517    HA   ASP  32           HA       ASP  32   0.839   3.841   3.317
  518   1HB   ASP  32          1HB       ASP  32   2.622   5.555   4.197
  519   2HB   ASP  32          2HB       ASP  32   0.970   6.074   3.896
  520    HA   PRO  33           HA       PRO  33   3.873   0.703   4.216
  521   1HB   PRO  33          1HB       PRO  33   5.288   1.859   1.903
  522   2HB   PRO  33          2HB       PRO  33   4.738   0.224   2.143
  523   1HG   PRO  33          1HG       PRO  33   3.579   1.848   0.449
  524   2HG   PRO  33          2HG       PRO  33   2.649   0.687   1.390
  525   1HD   PRO  33          1HD       PRO  33   1.509   2.590   2.009
  526   2HD   PRO  33          2HD       PRO  33   2.923   3.632   1.759
  527    H    ARG  34           H        ARG  34   5.248   3.617   2.858
  528    HA   ARG  34           HA       ARG  34   7.753   3.639   3.743
  529   1HB   ARG  34          1HB       ARG  34   5.870   5.997   3.737
  530   2HB   ARG  34          2HB       ARG  34   7.616   6.138   3.872
  531   1HG   ARG  34          1HG       ARG  34   7.098   4.520   1.631
  532   2HG   ARG  34          2HG       ARG  34   5.999   5.896   1.537
  533   1HD   ARG  34          1HD       ARG  34   7.997   6.516   0.409
  534   2HD   ARG  34          2HD       ARG  34   9.002   5.937   1.738
  535    HE   ARG  34           HE       ARG  34   7.149   8.107   2.322
  536   1HH1  ARG  34          1HH1      ARG  34  10.411   7.098   1.621
  537   2HH1  ARG  34          2HH1      ARG  34  11.128   8.552   2.232
  538   1HH2  ARG  34          1HH2      ARG  34   8.086  10.025   3.126
  539   2HH2  ARG  34          2HH2      ARG  34   9.807  10.215   3.086
  540    H    MET  35           H        MET  35   4.959   4.263   5.782
  541    HA   MET  35           HA       MET  35   6.755   4.536   8.098
  542   1HB   MET  35          1HB       MET  35   5.686   6.514   8.256
  543   2HB   MET  35          2HB       MET  35   4.311   5.977   7.299
  544   1HG   MET  35          1HG       MET  35   3.526   4.715   9.237
  545   2HG   MET  35          2HG       MET  35   4.887   5.355  10.155
  546   1HE   MET  35          1HE       MET  35   5.320   8.137   9.877
  547   2HE   MET  35          2HE       MET  35   4.066   9.027  10.737
  548   3HE   MET  35          3HE       MET  35   4.793   7.600  11.471
  549    H    SER  36           H        SER  36   6.705   2.931   9.517
  550    HA   SER  36           HA       SER  36   4.456   1.041   9.407
  551   1HB   SER  36          1HB       SER  36   6.422  -0.135  10.968
  552   2HB   SER  36          2HB       SER  36   6.132  -0.455   9.257
  553    HG   SER  36           HG       SER  36   8.325   0.404  10.209
  554    H    SER  37           H        SER  37   4.940   3.686  10.976
  555    HA   SER  37           HA       SER  37   4.694   2.756  13.716
  556   1HB   SER  37          1HB       SER  37   4.691   5.536  12.514
  557   2HB   SER  37          2HB       SER  37   4.564   5.204  14.242
  558    HG   SER  37           HG       SER  37   6.626   3.839  13.452
  559    H1   SER   1           H1       SER   1   9.460  12.277  -3.646
  560    H2   SER   1           H2       SER   1   9.316  13.942  -3.912
  561    H3   SER   1           H3       SER   1  10.837  13.258  -3.629
  562    HA   SER   1           HA       SER   1  10.594  13.771  -1.508
  563   1HB   SER   1          1HB       SER   1   8.088  14.342  -0.771
  564   2HB   SER   1          2HB       SER   1   9.064  15.481  -1.698
  565    HG   SER   1           HG       SER   1   6.754  14.628  -2.384
  566    H    MET   2           H        MET   2   7.757  11.866  -2.523
  567    HA   MET   2           HA       MET   2   8.341  10.004  -0.315
  568   1HB   MET   2          1HB       MET   2   5.796   9.450  -0.641
  569   2HB   MET   2          2HB       MET   2   6.285  10.835   0.325
  570   1HG   MET   2          1HG       MET   2   5.895  11.392  -2.529
  571   2HG   MET   2          2HG       MET   2   4.444  10.907  -1.653
  572   1HE   MET   2          1HE       MET   2   3.698  12.996  -2.661
  573   2HE   MET   2          2HE       MET   2   2.968  13.498  -1.136
  574   3HE   MET   2          3HE       MET   2   3.981  14.622  -2.040
  575    H    GLY   3           H        GLY   3   8.410   7.843  -0.759
  576   1HA   GLY   3          1HA       GLY   3   7.518   6.846  -3.339
  577   2HA   GLY   3          2HA       GLY   3   9.259   6.818  -3.083
  578    H    LEU   4           H        LEU   4   6.434   5.081  -2.777
  579    HA   LEU   4           HA       LEU   4   6.870   3.588  -0.425
  580   1HB   LEU   4          1HB       LEU   4   5.573   2.389  -2.833
  581   2HB   LEU   4          2HB       LEU   4   5.141   2.216  -1.144
  582    HG   LEU   4           HG       LEU   4   4.841   4.933  -2.265
  583   1HD1  LEU   4          1HD1      LEU   4   3.800   2.696  -3.685
  584   2HD1  LEU   4          2HD1      LEU   4   2.460   3.559  -2.927
  585   3HD1  LEU   4          3HD1      LEU   4   3.566   4.416  -4.003
  586   1HD2  LEU   4          1HD2      LEU   4   4.199   4.058   0.057
  587   2HD2  LEU   4          2HD2      LEU   4   3.022   5.045  -0.811
  588   3HD2  LEU   4          3HD2      LEU   4   2.835   3.292  -0.761
  589    HA   PRO   5           HA       PRO   5  10.224   0.844  -1.224
  590   1HB   PRO   5          1HB       PRO   5   9.976  -0.979   0.156
  591   2HB   PRO   5          2HB       PRO   5   8.367  -1.363  -0.465
  592   1HG   PRO   5          1HG       PRO   5   7.791  -0.421   1.573
  593   2HG   PRO   5          2HG       PRO   5   9.182   0.673   1.566
  594   1HD   PRO   5          1HD       PRO   5   7.604   2.194   0.879
  595   2HD   PRO   5          2HD       PRO   5   6.552   0.938   0.196
  596    HA   PRO   6           HA       PRO   6   9.897  -0.987  -5.231
  597   1HB   PRO   6          1HB       PRO   6  11.129  -3.442  -4.841
  598   2HB   PRO   6          2HB       PRO   6  11.966  -1.925  -5.182
  599   1HG   PRO   6          1HG       PRO   6  12.938  -2.432  -3.143
  600   2HG   PRO   6          2HG       PRO   6  11.496  -3.287  -2.564
  601   1HD   PRO   6          1HD       PRO   6  11.254  -1.287  -1.410
  602   2HD   PRO   6          2HD       PRO   6  12.026  -0.339  -2.700
  603    H    GLY   7           H        GLY   7   8.592  -2.564  -2.469
  604   1HA   GLY   7          1HA       GLY   7   6.776  -4.089  -4.228
  605   2HA   GLY   7          2HA       GLY   7   7.429  -4.790  -2.754
  606    H    TRP   8           H        TRP   8   5.937  -1.661  -3.588
  607    HA   TRP   8           HA       TRP   8   3.689  -2.187  -1.857
  608   1HB   TRP   8          1HB       TRP   8   5.916  -0.372  -1.059
  609   2HB   TRP   8          2HB       TRP   8   4.274   0.158  -0.708
  610    HD1  TRP   8           HD1      TRP   8   6.993  -1.858   0.720
  611    HE1  TRP   8           HE1      TRP   8   6.153  -3.218   2.727
  612    HE3  TRP   8           HE3      TRP   8   1.964  -1.262   0.047
  613    HZ2  TRP   8           HZ2      TRP   8   3.673  -3.945   3.887
  614    HZ3  TRP   8           HZ3      TRP   8   0.424  -2.321   1.654
  615    HH2  TRP   8           HH2      TRP   8   1.265  -3.631   3.532
  616    H    ASP   9           H        ASP   9   2.210  -1.724  -3.391
  617    HA   ASP   9           HA       ASP   9   2.475   0.783  -4.895
  618   1HB   ASP   9          1HB       ASP   9   0.908  -0.106  -6.464
  619   2HB   ASP   9          2HB       ASP   9   2.058  -1.394  -6.116
  620    H    GLU  10           H        GLU  10   0.427   2.029  -5.244
  621    HA   GLU  10           HA       GLU  10  -1.340   1.877  -2.900
  622   1HB   GLU  10          1HB       GLU  10  -1.246   4.244  -2.586
  623   2HB   GLU  10          2HB       GLU  10   0.405   3.649  -2.648
  624   1HG   GLU  10          1HG       GLU  10   0.737   4.501  -4.823
  625   2HG   GLU  10          2HG       GLU  10  -0.984   4.819  -5.039
  626    H    TYR  11           H        TYR  11  -3.459   2.280  -3.217
  627    HA   TYR  11           HA       TYR  11  -4.546   3.665  -5.434
  628   1HB   TYR  11          1HB       TYR  11  -4.109   0.777  -5.735
  629   2HB   TYR  11          2HB       TYR  11  -5.774   1.270  -6.023
  630    HD1  TYR  11           HD1      TYR  11  -5.769   3.663  -7.445
  631    HD2  TYR  11           HD2      TYR  11  -2.892   0.537  -7.677
  632    HE1  TYR  11           HE1      TYR  11  -5.172   4.390  -9.715
  633    HE2  TYR  11           HE2      TYR  11  -2.286   1.257  -9.948
  634    HH   TYR  11           HH       TYR  11  -2.985   2.532 -11.725
  635    H    LYS  12           H        LYS  12  -6.913   3.673  -5.391
  636    HA   LYS  12           HA       LYS  12  -7.869   3.306  -2.660
  637   1HB   LYS  12          1HB       LYS  12  -8.673   4.958  -4.985
  638   2HB   LYS  12          2HB       LYS  12  -9.964   4.430  -3.918
  639   1HG   LYS  12          1HG       LYS  12  -8.816   5.440  -2.017
  640   2HG   LYS  12          2HG       LYS  12  -7.525   5.979  -3.088
  641   1HD   LYS  12          1HD       LYS  12 -10.395   6.743  -3.540
  642   2HD   LYS  12          2HD       LYS  12  -9.328   7.681  -2.494
  643   1HE   LYS  12          1HE       LYS  12  -8.451   8.706  -4.255
  644   2HE   LYS  12          2HE       LYS  12  -7.987   7.158  -4.956
  645   1HZ   LYS  12          1HZ       LYS  12 -10.780   7.685  -5.251
  646   2HZ   LYS  12          2HZ       LYS  12  -9.833   8.890  -5.966
  647   3HZ   LYS  12          3HZ       LYS  12  -9.632   7.274  -6.424
  648    H    THR  13           H        THR  13  -9.222   1.741  -2.052
  649    HA   THR  13           HA       THR  13  -9.987  -0.286  -3.949
  650    HB   THR  13           HB       THR  13 -11.246  -0.532  -1.340
  651    HG1  THR  13           HG1      THR  13  -9.033  -0.895  -0.373
  652   1HG2  THR  13          1HG2      THR  13 -10.351  -2.207  -3.286
  653   2HG2  THR  13          2HG2      THR  13  -9.054  -2.334  -2.097
  654   3HG2  THR  13          3HG2      THR  13 -10.714  -2.701  -1.632
  655    H    HIS  14           H        HIS  14 -12.449  -1.115  -2.857
  656    HA   HIS  14           HA       HIS  14 -14.255   0.397  -4.396
  657   1HB   HIS  14          1HB       HIS  14 -14.308  -2.079  -3.227
  658   2HB   HIS  14          2HB       HIS  14 -15.449  -1.187  -2.225
  659    HD1  HIS  14           HD1      HIS  14 -17.051   0.428  -4.078
  660    HD2  HIS  14           HD2      HIS  14 -15.728  -3.372  -5.117
  661    HE1  HIS  14           HE1      HIS  14 -18.600  -0.347  -5.902
  662    HE2  HIS  14           HE2      HIS  14 -17.781  -2.650  -6.517
  663    H    ASN  15           H        ASN  15 -13.486   0.413  -0.960
  664    HA   ASN  15           HA       ASN  15 -15.577   2.269  -0.292
  665   1HB   ASN  15          1HB       ASN  15 -13.764   0.598   1.129
  666   2HB   ASN  15          2HB       ASN  15 -13.561   2.247   1.710
  667   2HD2  ASN  15          2HD2      ASN  15 -14.626   0.017   3.149
  668   1HD2  ASN  15          1HD2      ASN  15 -16.251   0.421   3.579
  669    H    GLY  16           H        GLY  16 -12.900   2.672  -2.055
  670   1HA   GLY  16          1HA       GLY  16 -11.825   4.568  -2.796
  671   2HA   GLY  16          2HA       GLY  16 -12.896   5.511  -1.771
  672    H    LYS  17           H        LYS  17 -11.114   2.997  -0.234
  673    HA   LYS  17           HA       LYS  17  -9.564   4.993   1.200
  674   1HB   LYS  17          1HB       LYS  17 -10.730   3.005   2.318
  675   2HB   LYS  17          2HB       LYS  17  -9.065   3.319   2.787
  676   1HG   LYS  17          1HG       LYS  17  -9.496   1.398   0.575
  677   2HG   LYS  17          2HG       LYS  17  -8.298   1.403   1.866
  678   1HD   LYS  17          1HD       LYS  17  -9.519  -0.141   2.902
  679   2HD   LYS  17          2HD       LYS  17 -10.748   1.100   3.162
  680   1HE   LYS  17          1HE       LYS  17 -11.947   0.463   1.239
  681   2HE   LYS  17          2HE       LYS  17 -10.603  -0.499   0.624
  682   1HZ   LYS  17          1HZ       LYS  17 -10.919  -2.013   2.517
  683   2HZ   LYS  17          2HZ       LYS  17 -12.275  -1.122   2.996
  684   3HZ   LYS  17          3HZ       LYS  17 -12.280  -1.938   1.515
  685    H    THR  18           H        THR  18  -7.536   5.504   0.682
  686    HA   THR  18           HA       THR  18  -6.280   4.371  -1.607
  687    HB   THR  18           HB       THR  18  -4.637   5.894   0.356
  688    HG1  THR  18           HG1      THR  18  -6.901   6.807   0.182
  689   1HG2  THR  18          1HG2      THR  18  -5.041   6.060  -2.632
  690   2HG2  THR  18          2HG2      THR  18  -3.888   7.019  -1.705
  691   3HG2  THR  18          3HG2      THR  18  -3.703   5.268  -1.800
  692    H    TYR  19           H        TYR  19  -6.313   2.127  -0.974
  693    HA   TYR  19           HA       TYR  19  -4.713   1.307   1.270
  694   1HB   TYR  19          1HB       TYR  19  -5.658  -0.772   1.028
  695   2HB   TYR  19          2HB       TYR  19  -6.903   0.224   0.280
  696    HD1  TYR  19           HD1      TYR  19  -7.066   0.301  -2.217
  697    HD2  TYR  19           HD2      TYR  19  -4.502  -2.429  -0.201
  698    HE1  TYR  19           HE1      TYR  19  -6.927  -1.067  -4.257
  699    HE2  TYR  19           HE2      TYR  19  -4.355  -3.803  -2.234
  700    HH   TYR  19           HH       TYR  19  -6.323  -3.853  -4.567
  701    H    TYR  20           H        TYR  20  -2.794   0.306   1.274
  702    HA   TYR  20           HA       TYR  20  -1.260   0.335  -1.237
  703   1HB   TYR  20          1HB       TYR  20   0.718   0.658   0.078
  704   2HB   TYR  20          2HB       TYR  20  -0.138   0.287   1.571
  705    HD1  TYR  20           HD1      TYR  20  -1.810   1.923   2.463
  706    HD2  TYR  20           HD2      TYR  20   0.763   2.861  -0.792
  707    HE1  TYR  20           HE1      TYR  20  -2.245   4.316   2.816
  708    HE2  TYR  20           HE2      TYR  20   0.334   5.257  -0.446
  709    HH   TYR  20           HH       TYR  20  -1.335   6.706   0.553
  710    H    TYR  21           H        TYR  21  -0.152  -1.530  -1.865
  711    HA   TYR  21           HA       TYR  21  -0.583  -3.897  -0.169
  712   1HB   TYR  21          1HB       TYR  21  -2.214  -3.878  -2.003
  713   2HB   TYR  21          2HB       TYR  21  -0.905  -3.771  -3.173
  714    HD1  TYR  21           HD1      TYR  21  -0.174  -5.724  -4.167
  715    HD2  TYR  21           HD2      TYR  21  -2.024  -5.938  -0.341
  716    HE1  TYR  21           HE1      TYR  21  -0.040  -8.179  -4.246
  717    HE2  TYR  21           HE2      TYR  21  -1.895  -8.393  -0.410
  718    HH   TYR  21           HH       TYR  21  -0.655 -10.142  -1.505
  719    H    ASN  22           H        ASN  22   0.970  -5.421  -0.106
  720    HA   ASN  22           HA       ASN  22   3.533  -4.772  -1.402
  721   1HB   ASN  22          1HB       ASN  22   3.387  -4.857   1.140
  722   2HB   ASN  22          2HB       ASN  22   3.101  -6.585   0.980
  723   2HD2  ASN  22          2HD2      ASN  22   5.267  -5.301   2.329
  724   1HD2  ASN  22          1HD2      ASN  22   6.723  -5.804   1.548
  725    H    HIS  23           H        HIS  23   4.000  -6.017  -3.107
  726    HA   HIS  23           HA       HIS  23   2.594  -8.521  -3.487
  727   1HB   HIS  23          1HB       HIS  23   2.726  -8.015  -5.653
  728   2HB   HIS  23          2HB       HIS  23   4.481  -7.940  -5.585
  729    HD1  HIS  23           HD1      HIS  23   1.706  -5.626  -4.369
  730    HD2  HIS  23           HD2      HIS  23   5.273  -5.531  -6.496
  731    HE1  HIS  23           HE1      HIS  23   2.058  -3.215  -4.982
  732    HE2  HIS  23           HE2      HIS  23   4.223  -3.178  -6.269
  733    H    ASN  24           H        ASN  24   5.412  -7.699  -1.991
  734    HA   ASN  24           HA       ASN  24   6.896 -10.050  -2.907
  735   1HB   ASN  24          1HB       ASN  24   8.790  -9.134  -1.679
  736   2HB   ASN  24          2HB       ASN  24   7.765  -7.882  -0.981
  737   2HD2  ASN  24          2HD2      ASN  24   9.129  -6.291  -1.823
  738   1HD2  ASN  24          1HD2      ASN  24   9.099  -5.866  -3.497
  739    H    THR  25           H        THR  25   5.013  -8.886  -0.274
  740    HA   THR  25           HA       THR  25   5.500 -11.402   1.165
  741    HB   THR  25           HB       THR  25   5.651 -10.362   3.274
  742    HG1  THR  25           HG1      THR  25   5.076  -7.839   2.094
  743   1HG2  THR  25          1HG2      THR  25   7.382  -9.459   1.158
  744   2HG2  THR  25          2HG2      THR  25   7.239  -8.221   2.405
  745   3HG2  THR  25          3HG2      THR  25   7.775  -9.845   2.834
  746    H    LYS  26           H        LYS  26   3.358  -9.874  -0.558
  747    HA   LYS  26           HA       LYS  26   1.097  -9.643  -0.649
  748   1HB   LYS  26          1HB       LYS  26  -0.083 -11.615  -0.221
  749   2HB   LYS  26          2HB       LYS  26   0.909 -12.019   1.174
  750   1HG   LYS  26          1HG       LYS  26   1.336 -13.494  -0.736
  751   2HG   LYS  26          2HG       LYS  26   2.771 -12.579  -0.266
  752   1HD   LYS  26          1HD       LYS  26   1.377 -11.034  -2.182
  753   2HD   LYS  26          2HD       LYS  26   2.950 -11.819  -2.345
  754   1HE   LYS  26          1HE       LYS  26   0.670 -13.628  -2.611
  755   2HE   LYS  26          2HE       LYS  26   0.746 -12.381  -3.854
  756   1HZ   LYS  26          1HZ       LYS  26   3.260 -13.164  -3.870
  757   2HZ   LYS  26          2HZ       LYS  26   2.557 -14.610  -3.344
  758   3HZ   LYS  26          3HZ       LYS  26   2.077 -13.921  -4.812
  759    H    THR  27           H        THR  27   1.394  -7.676   0.709
  760    HA   THR  27           HA       THR  27  -0.047  -7.987   3.269
  761    HB   THR  27           HB       THR  27   2.069  -5.901   2.739
  762    HG1  THR  27           HG1      THR  27   2.771  -7.665   4.622
  763   1HG2  THR  27          1HG2      THR  27   0.472  -6.705   5.159
  764   2HG2  THR  27          2HG2      THR  27   1.974  -5.789   5.281
  765   3HG2  THR  27          3HG2      THR  27   0.597  -5.115   4.409
  766    H    SER  28           H        SER  28  -2.041  -7.235   2.918
  767    HA   SER  28           HA       SER  28  -2.384  -4.812   1.294
  768   1HB   SER  28          1HB       SER  28  -4.872  -5.497   1.491
  769   2HB   SER  28          2HB       SER  28  -3.824  -6.477   0.467
  770    HG   SER  28           HG       SER  28  -4.020  -8.104   1.802
  771    H    THR  29           H        THR  29  -2.795  -2.932   2.239
  772    HA   THR  29           HA       THR  29  -4.279  -2.783   4.727
  773    HB   THR  29           HB       THR  29  -1.791  -3.094   5.295
  774    HG1  THR  29           HG1      THR  29  -2.096  -1.822   7.065
  775   1HG2  THR  29          1HG2      THR  29  -1.747  -0.354   4.072
  776   2HG2  THR  29          2HG2      THR  29  -0.588  -0.831   5.313
  777   3HG2  THR  29          3HG2      THR  29  -0.657  -1.711   3.786
  778    H    TRP  30           H        TRP  30  -4.269  -0.284   5.417
  779    HA   TRP  30           HA       TRP  30  -4.665   1.254   2.934
  780   1HB   TRP  30          1HB       TRP  30  -6.063   2.445   5.144
  781   2HB   TRP  30          2HB       TRP  30  -6.703   1.872   3.610
  782    HD1  TRP  30           HD1      TRP  30  -7.013   1.285   7.189
  783    HE1  TRP  30           HE1      TRP  30  -8.215  -0.942   7.668
  784    HE3  TRP  30           HE3      TRP  30  -6.740  -0.794   2.536
  785    HZ2  TRP  30           HZ2      TRP  30  -8.951  -3.272   6.250
  786    HZ3  TRP  30           HZ3      TRP  30  -7.715  -3.023   2.174
  787    HH2  TRP  30           HH2      TRP  30  -8.800  -4.236   3.996
  788    H    THR  31           H        THR  31  -2.822   0.944   5.697
  789    HA   THR  31           HA       THR  31  -2.236   3.770   6.031
  790    HB   THR  31           HB       THR  31  -0.562   1.654   7.301
  791    HG1  THR  31           HG1      THR  31  -2.325   1.740   9.006
  792   1HG2  THR  31          1HG2      THR  31  -1.382   4.447   7.824
  793   2HG2  THR  31          2HG2      THR  31  -1.167   3.408   9.234
  794   3HG2  THR  31          3HG2      THR  31   0.166   3.647   8.104
  795    H    ASP  32           H        ASP  32  -0.344   4.777   5.464
  796    HA   ASP  32           HA       ASP  32   0.935   3.951   3.125
  797   1HB   ASP  32          1HB       ASP  32   0.786   6.298   4.334
  798   2HB   ASP  32          2HB       ASP  32   2.342   5.808   4.997
  799    HA   PRO  33           HA       PRO  33   3.764   0.906   4.757
  800   1HB   PRO  33          1HB       PRO  33   5.287   0.673   2.485
  801   2HB   PRO  33          2HB       PRO  33   3.754  -0.159   2.743
  802   1HG   PRO  33          1HG       PRO  33   4.338   2.314   1.187
  803   2HG   PRO  33          2HG       PRO  33   3.218   0.992   0.819
  804   1HD   PRO  33          1HD       PRO  33   2.400   3.377   1.806
  805   2HD   PRO  33          2HD       PRO  33   1.563   1.851   2.154
  806    H    ARG  34           H        ARG  34   4.657   3.935   3.329
  807    HA   ARG  34           HA       ARG  34   7.423   3.904   3.866
  808   1HB   ARG  34          1HB       ARG  34   5.445   6.162   3.573
  809   2HB   ARG  34          2HB       ARG  34   7.163   6.437   3.819
  810   1HG   ARG  34          1HG       ARG  34   6.926   4.594   1.710
  811   2HG   ARG  34          2HG       ARG  34   5.751   5.874   1.410
  812   1HD   ARG  34          1HD       ARG  34   8.696   6.239   1.943
  813   2HD   ARG  34          2HD       ARG  34   7.888   6.418   0.387
  814    HE   ARG  34           HE       ARG  34   6.797   8.377   1.245
  815   1HH1  ARG  34          1HH1      ARG  34   9.354   7.101   3.241
  816   2HH1  ARG  34          2HH1      ARG  34   9.603   8.587   4.095
  817   1HH2  ARG  34          1HH2      ARG  34   7.119  10.336   2.363
  818   2HH2  ARG  34          2HH2      ARG  34   8.334  10.425   3.595
  819    H    MET  35           H        MET  35   4.628   4.655   5.821
  820    HA   MET  35           HA       MET  35   6.403   5.197   8.110
  821   1HB   MET  35          1HB       MET  35   4.551   6.461   9.093
  822   2HB   MET  35          2HB       MET  35   3.546   6.098   7.696
  823   1HG   MET  35          1HG       MET  35   5.902   7.899   7.928
  824   2HG   MET  35          2HG       MET  35   5.441   7.241   6.360
  825   1HE   MET  35          1HE       MET  35   5.055   9.080   5.146
  826   2HE   MET  35          2HE       MET  35   3.381   8.615   4.840
  827   3HE   MET  35          3HE       MET  35   3.765  10.273   5.302
  828    H    SER  36           H        SER  36   4.708   4.874  10.193
  829    HA   SER  36           HA       SER  36   3.319   2.341   9.963
  830   1HB   SER  36          1HB       SER  36   6.001   2.260  10.632
  831   2HB   SER  36          2HB       SER  36   5.200   2.231  12.203
  832    HG   SER  36           HG       SER  36   4.913   0.428  10.047
  833    H    SER  37           H        SER  37   2.398   4.921  10.539
  834    HA   SER  37           HA       SER  37   1.710   4.703  13.397
  835   1HB   SER  37          1HB       SER  37   2.993   6.765  12.728
  836   2HB   SER  37          2HB       SER  37   1.623   7.217  11.713
  837    HG   SER  37           HG       SER  37   0.920   6.571  14.281
  838    H1   SER   1           H1       SER   1   3.033   5.476  -7.237
  839    H2   SER   1           H2       SER   1   2.950   5.018  -8.863
  840    H3   SER   1           H3       SER   1   3.918   4.144  -7.787
  841    HA   SER   1           HA       SER   1   5.639   5.419  -8.232
  842   1HB   SER   1          1HB       SER   1   5.259   7.293  -9.961
  843   2HB   SER   1          2HB       SER   1   4.875   5.646 -10.461
  844    HG   SER   1           HG       SER   1   3.046   7.622  -9.565
  845    H    MET   2           H        MET   2   5.780   6.128  -6.049
  846    HA   MET   2           HA       MET   2   5.499   9.010  -5.787
  847   1HB   MET   2          1HB       MET   2   3.404   7.760  -4.880
  848   2HB   MET   2          2HB       MET   2   4.456   7.301  -3.548
  849   1HG   MET   2          1HG       MET   2   4.741   9.526  -2.863
  850   2HG   MET   2          2HG       MET   2   4.094  10.161  -4.375
  851   1HE   MET   2          1HE       MET   2   3.092  11.444  -1.818
  852   2HE   MET   2          2HE       MET   2   2.327  11.788  -3.370
  853   3HE   MET   2          3HE       MET   2   1.336  11.387  -1.967
  854    H    GLY   3           H        GLY   3   6.174   6.187  -3.701
  855   1HA   GLY   3          1HA       GLY   3   8.948   6.610  -3.551
  856   2HA   GLY   3          2HA       GLY   3   8.188   7.447  -2.202
  857    H    LEU   4           H        LEU   4   6.158   4.987  -2.744
  858    HA   LEU   4           HA       LEU   4   6.797   3.552  -0.437
  859   1HB   LEU   4          1HB       LEU   4   5.404   2.221  -2.715
  860   2HB   LEU   4          2HB       LEU   4   5.057   2.125  -1.000
  861    HG   LEU   4           HG       LEU   4   4.636   4.758  -2.303
  862   1HD1  LEU   4          1HD1      LEU   4   3.512   2.361  -3.379
  863   2HD1  LEU   4          2HD1      LEU   4   2.235   3.322  -2.631
  864   3HD1  LEU   4          3HD1      LEU   4   3.257   4.033  -3.882
  865   1HD2  LEU   4          1HD2      LEU   4   4.218   4.272   0.111
  866   2HD2  LEU   4          2HD2      LEU   4   2.815   4.888  -0.764
  867   3HD2  LEU   4          3HD2      LEU   4   2.937   3.169  -0.392
  868    HA   PRO   5           HA       PRO   5  10.101   0.741  -1.281
  869   1HB   PRO   5          1HB       PRO   5   9.808  -1.153   0.011
  870   2HB   PRO   5          2HB       PRO   5   8.163  -1.425  -0.573
  871   1HG   PRO   5          1HG       PRO   5   7.721  -0.523   1.528
  872   2HG   PRO   5          2HG       PRO   5   9.152   0.521   1.477
  873   1HD   PRO   5          1HD       PRO   5   7.608   2.112   0.880
  874   2HD   PRO   5          2HD       PRO   5   6.474   0.911   0.234
  875    HA   PRO   6           HA       PRO   6   9.647  -0.895  -5.348
  876   1HB   PRO   6          1HB       PRO   6  11.089  -3.233  -5.235
  877   2HB   PRO   6          2HB       PRO   6  11.804  -1.626  -5.390
  878   1HG   PRO   6          1HG       PRO   6  12.840  -2.327  -3.436
  879   2HG   PRO   6          2HG       PRO   6  11.451  -3.317  -2.948
  880   1HD   PRO   6          1HD       PRO   6  11.098  -1.485  -1.577
  881   2HD   PRO   6          2HD       PRO   6  11.844  -0.358  -2.729
  882    H    GLY   7           H        GLY   7   8.121  -2.320  -2.791
  883   1HA   GLY   7          1HA       GLY   7   6.770  -4.239  -4.581
  884   2HA   GLY   7          2HA       GLY   7   7.179  -4.667  -2.927
  885    H    TRP   8           H        TRP   8   6.440  -1.577  -2.553
  886    HA   TRP   8           HA       TRP   8   3.657  -2.191  -1.898
  887   1HB   TRP   8          1HB       TRP   8   5.651  -0.185  -0.895
  888   2HB   TRP   8          2HB       TRP   8   3.931   0.106  -0.658
  889    HD1  TRP   8           HD1      TRP   8   6.813  -1.859   0.716
  890    HE1  TRP   8           HE1      TRP   8   6.032  -3.251   2.719
  891    HE3  TRP   8           HE3      TRP   8   1.765  -1.227   0.213
  892    HZ2  TRP   8           HZ2      TRP   8   3.589  -3.990   3.941
  893    HZ3  TRP   8           HZ3      TRP   8   0.275  -2.309   1.846
  894    HH2  TRP   8           HH2      TRP   8   1.171  -3.662   3.669
  895    H    ASP   9           H        ASP   9   2.092  -1.509  -3.171
  896    HA   ASP   9           HA       ASP   9   2.530   0.918  -4.787
  897   1HB   ASP   9          1HB       ASP   9   1.284   0.000  -6.573
  898   2HB   ASP   9          2HB       ASP   9   2.339  -1.309  -6.048
  899    H    GLU  10           H        GLU  10   0.642   2.261  -5.134
  900    HA   GLU  10           HA       GLU  10  -1.273   1.981  -2.920
  901   1HB   GLU  10          1HB       GLU  10   0.361   4.013  -3.178
  902   2HB   GLU  10          2HB       GLU  10  -1.293   4.258  -2.639
  903   1HG   GLU  10          1HG       GLU  10  -0.516   4.512  -5.524
  904   2HG   GLU  10          2HG       GLU  10  -1.957   5.124  -4.714
  905    H    TYR  11           H        TYR  11  -3.443   2.282  -3.219
  906    HA   TYR  11           HA       TYR  11  -4.623   3.116  -5.657
  907   1HB   TYR  11          1HB       TYR  11  -3.978   0.290  -5.387
  908   2HB   TYR  11          2HB       TYR  11  -5.707   0.549  -5.599
  909    HD1  TYR  11           HD1      TYR  11  -6.284   2.311  -7.531
  910    HD2  TYR  11           HD2      TYR  11  -2.716   0.004  -7.294
  911    HE1  TYR  11           HE1      TYR  11  -5.958   2.575  -9.954
  912    HE2  TYR  11           HE2      TYR  11  -2.381   0.263  -9.717
  913    HH   TYR  11           HH       TYR  11  -4.261   0.787 -11.789
  914    H    LYS  12           H        LYS  12  -6.885   3.333  -5.482
  915    HA   LYS  12           HA       LYS  12  -7.840   3.205  -2.725
  916   1HB   LYS  12          1HB       LYS  12  -8.564   4.789  -5.128
  917   2HB   LYS  12          2HB       LYS  12  -9.857   4.421  -3.998
  918   1HG   LYS  12          1HG       LYS  12  -8.566   5.433  -2.187
  919   2HG   LYS  12          2HG       LYS  12  -7.286   5.828  -3.333
  920   1HD   LYS  12          1HD       LYS  12 -10.099   6.747  -3.801
  921   2HD   LYS  12          2HD       LYS  12  -9.024   7.643  -2.726
  922   1HE   LYS  12          1HE       LYS  12  -7.358   7.553  -4.700
  923   2HE   LYS  12          2HE       LYS  12  -8.778   7.167  -5.672
  924   1HZ   LYS  12          1HZ       LYS  12  -9.778   9.239  -4.586
  925   2HZ   LYS  12          2HZ       LYS  12  -8.186   9.640  -4.176
  926   3HZ   LYS  12          3HZ       LYS  12  -8.621   9.462  -5.800
  927    H    THR  13           H        THR  13  -9.225   1.722  -2.035
  928    HA   THR  13           HA       THR  13 -10.149  -0.322  -3.823
  929    HB   THR  13           HB       THR  13 -11.344  -0.284  -1.141
  930    HG1  THR  13           HG1      THR  13  -9.274   0.721  -0.759
  931   1HG2  THR  13          1HG2      THR  13 -10.589  -2.149  -3.105
  932   2HG2  THR  13          2HG2      THR  13  -9.569  -2.467  -1.702
  933   3HG2  THR  13          3HG2      THR  13 -11.325  -2.475  -1.536
  934    H    HIS  14           H        HIS  14 -12.634  -0.991  -2.754
  935    HA   HIS  14           HA       HIS  14 -14.387   0.384  -4.391
  936   1HB   HIS  14          1HB       HIS  14 -14.991  -1.165  -1.863
  937   2HB   HIS  14          2HB       HIS  14 -16.197  -0.673  -3.048
  938    HD1  HIS  14           HD1      HIS  14 -16.317  -1.999  -5.241
  939    HD2  HIS  14           HD2      HIS  14 -13.321  -3.289  -2.666
  940    HE1  HIS  14           HE1      HIS  14 -15.529  -4.196  -6.176
  941    HE2  HIS  14           HE2      HIS  14 -13.716  -4.961  -4.602
  942    H    ASN  15           H        ASN  15 -14.187   0.679  -0.835
  943    HA   ASN  15           HA       ASN  15 -15.950   2.852  -0.629
  944   1HB   ASN  15          1HB       ASN  15 -14.623   3.251   1.576
  945   2HB   ASN  15          2HB       ASN  15 -15.549   1.766   1.392
  946   2HD2  ASN  15          2HD2      ASN  15 -14.348   0.547   2.771
  947   1HD2  ASN  15          1HD2      ASN  15 -12.716   0.081   2.455
  948    H    GLY  16           H        GLY  16 -12.739   2.673  -1.752
  949   1HA   GLY  16          1HA       GLY  16 -11.691   4.418  -2.944
  950   2HA   GLY  16          2HA       GLY  16 -12.687   5.579  -2.083
  951    H    LYS  17           H        LYS  17 -11.107   3.096  -0.252
  952    HA   LYS  17           HA       LYS  17  -9.522   5.106   1.095
  953   1HB   LYS  17          1HB       LYS  17 -10.685   3.121   2.241
  954   2HB   LYS  17          2HB       LYS  17  -9.036   3.483   2.729
  955   1HG   LYS  17          1HG       LYS  17  -9.516   1.446   0.600
  956   2HG   LYS  17          2HG       LYS  17  -8.186   1.593   1.747
  957   1HD   LYS  17          1HD       LYS  17  -9.274   0.459   3.362
  958   2HD   LYS  17          2HD       LYS  17 -10.830   1.189   2.963
  959   1HE   LYS  17          1HE       LYS  17 -11.019  -0.304   1.025
  960   2HE   LYS  17          2HE       LYS  17  -9.480  -1.047   1.456
  961   1HZ   LYS  17          1HZ       LYS  17 -11.059  -1.138   3.726
  962   2HZ   LYS  17          2HZ       LYS  17 -12.062  -1.616   2.450
  963   3HZ   LYS  17          3HZ       LYS  17 -10.609  -2.434   2.736
  964    H    THR  18           H        THR  18  -7.482   5.598   0.613
  965    HA   THR  18           HA       THR  18  -6.211   4.439  -1.658
  966    HB   THR  18           HB       THR  18  -4.605   6.019   0.292
  967    HG1  THR  18           HG1      THR  18  -6.917   6.934  -1.047
  968   1HG2  THR  18          1HG2      THR  18  -4.818   5.659  -2.655
  969   2HG2  THR  18          2HG2      THR  18  -4.193   7.190  -2.042
  970   3HG2  THR  18          3HG2      THR  18  -3.390   5.677  -1.620
  971    H    TYR  19           H        TYR  19  -6.269   2.210  -0.940
  972    HA   TYR  19           HA       TYR  19  -4.588   1.469   1.284
  973   1HB   TYR  19          1HB       TYR  19  -5.743  -0.466   1.309
  974   2HB   TYR  19          2HB       TYR  19  -6.867   0.387   0.257
  975    HD1  TYR  19           HD1      TYR  19  -6.773  -0.005  -2.203
  976    HD2  TYR  19           HD2      TYR  19  -4.471  -2.321   0.524
  977    HE1  TYR  19           HE1      TYR  19  -6.444  -1.711  -3.942
  978    HE2  TYR  19           HE2      TYR  19  -4.135  -4.035  -1.208
  979    HH   TYR  19           HH       TYR  19  -5.752  -4.616  -3.561
  980    H    TYR  20           H        TYR  20  -2.692   0.410   1.217
  981    HA   TYR  20           HA       TYR  20  -1.332   0.301  -1.385
  982   1HB   TYR  20          1HB       TYR  20   0.727   0.623  -0.238
  983   2HB   TYR  20          2HB       TYR  20   0.001   0.282   1.325
  984    HD1  TYR  20           HD1      TYR  20  -1.593   1.946   2.326
  985    HD2  TYR  20           HD2      TYR  20   0.751   2.826  -1.113
  986    HE1  TYR  20           HE1      TYR  20  -1.970   4.347   2.693
  987    HE2  TYR  20           HE2      TYR  20   0.381   5.231  -0.754
  988    HH   TYR  20           HH       TYR  20  -0.336   6.782   0.755
  989    H    TYR  21           H        TYR  21  -0.027  -1.556  -1.865
  990    HA   TYR  21           HA       TYR  21  -0.488  -3.893  -0.156
  991   1HB   TYR  21          1HB       TYR  21  -2.210  -3.947  -1.885
  992   2HB   TYR  21          2HB       TYR  21  -0.983  -3.799  -3.138
  993    HD1  TYR  21           HD1      TYR  21  -0.203  -5.722  -4.164
  994    HD2  TYR  21           HD2      TYR  21  -1.922  -6.016  -0.283
  995    HE1  TYR  21           HE1      TYR  21  -0.010  -8.171  -4.270
  996    HE2  TYR  21           HE2      TYR  21  -1.733  -8.466  -0.379
  997    HH   TYR  21           HH       TYR  21  -0.174 -10.084  -3.113
  998    H    ASN  22           H        ASN  22   1.101  -5.398  -0.118
  999    HA   ASN  22           HA       ASN  22   3.562  -4.755  -1.601
 1000   1HB   ASN  22          1HB       ASN  22   3.620  -4.707   0.935
 1001   2HB   ASN  22          2HB       ASN  22   3.347  -6.445   0.896
 1002   2HD2  ASN  22          2HD2      ASN  22   5.404  -4.169  -0.894
 1003   1HD2  ASN  22          1HD2      ASN  22   6.871  -5.053  -0.662
 1004    H    HIS  23           H        HIS  23   3.926  -6.054  -3.275
 1005    HA   HIS  23           HA       HIS  23   2.628  -8.638  -3.426
 1006   1HB   HIS  23          1HB       HIS  23   2.645  -8.285  -5.628
 1007   2HB   HIS  23          2HB       HIS  23   4.392  -8.096  -5.645
 1008    HD1  HIS  23           HD1      HIS  23   1.630  -5.830  -4.316
 1009    HD2  HIS  23           HD2      HIS  23   4.871  -5.764  -6.914
 1010    HE1  HIS  23           HE1      HIS  23   1.766  -3.467  -5.160
 1011    HE2  HIS  23           HE2      HIS  23   3.736  -3.448  -6.732
 1012    H    ASN  24           H        ASN  24   5.348  -7.683  -1.968
 1013    HA   ASN  24           HA       ASN  24   7.023  -9.900  -2.887
 1014   1HB   ASN  24          1HB       ASN  24   7.616  -7.662  -0.938
 1015   2HB   ASN  24          2HB       ASN  24   8.769  -8.887  -1.457
 1016   2HD2  ASN  24          2HD2      ASN  24   8.859  -5.991  -1.727
 1017   1HD2  ASN  24          1HD2      ASN  24   9.026  -5.674  -3.417
 1018    H    THR  25           H        THR  25   5.051  -8.884  -0.229
 1019    HA   THR  25           HA       THR  25   5.594 -11.439   1.117
 1020    HB   THR  25           HB       THR  25   5.686 -10.458   3.270
 1021    HG1  THR  25           HG1      THR  25   5.547  -7.877   2.987
 1022   1HG2  THR  25          1HG2      THR  25   7.309  -8.955   1.240
 1023   2HG2  THR  25          2HG2      THR  25   7.470  -8.624   2.965
 1024   3HG2  THR  25          3HG2      THR  25   7.821 -10.235   2.341
 1025    H    LYS  26           H        LYS  26   3.413  -9.841  -0.524
 1026    HA   LYS  26           HA       LYS  26   1.147  -9.727  -0.640
 1027   1HB   LYS  26          1HB       LYS  26   0.002 -11.705  -0.192
 1028   2HB   LYS  26          2HB       LYS  26   0.967 -12.062   1.234
 1029   1HG   LYS  26          1HG       LYS  26   2.892 -12.232  -0.582
 1030   2HG   LYS  26          2HG       LYS  26   1.842 -13.597  -0.191
 1031   1HD   LYS  26          1HD       LYS  26   0.346 -12.844  -2.069
 1032   2HD   LYS  26          2HD       LYS  26   1.619 -11.711  -2.521
 1033   1HE   LYS  26          1HE       LYS  26   2.757 -13.304  -3.561
 1034   2HE   LYS  26          2HE       LYS  26   2.721 -14.319  -2.121
 1035   1HZ   LYS  26          1HZ       LYS  26   0.341 -14.142  -3.840
 1036   2HZ   LYS  26          2HZ       LYS  26   1.623 -15.149  -4.288
 1037   3HZ   LYS  26          3HZ       LYS  26   0.829 -15.397  -2.816
 1038    H    THR  27           H        THR  27   1.356  -7.729   0.653
 1039    HA   THR  27           HA       THR  27  -0.096  -8.020   3.206
 1040    HB   THR  27           HB       THR  27   2.053  -5.952   2.759
 1041    HG1  THR  27           HG1      THR  27   2.753  -8.270   2.834
 1042   1HG2  THR  27          1HG2      THR  27   0.480  -6.872   5.155
 1043   2HG2  THR  27          2HG2      THR  27   1.951  -5.908   5.284
 1044   3HG2  THR  27          3HG2      THR  27   0.542  -5.258   4.446
 1045    H    SER  28           H        SER  28  -2.043  -7.141   2.926
 1046    HA   SER  28           HA       SER  28  -2.267  -4.698   1.300
 1047   1HB   SER  28          1HB       SER  28  -4.767  -5.325   1.332
 1048   2HB   SER  28          2HB       SER  28  -3.690  -6.325   0.358
 1049    HG   SER  28           HG       SER  28  -4.562  -6.919   2.995
 1050    H    THR  29           H        THR  29  -2.815  -2.833   2.230
 1051    HA   THR  29           HA       THR  29  -4.423  -2.719   4.620
 1052    HB   THR  29           HB       THR  29  -2.032  -3.163   5.414
 1053    HG1  THR  29           HG1      THR  29  -3.251  -2.381   7.009
 1054   1HG2  THR  29          1HG2      THR  29  -1.240  -1.325   3.667
 1055   2HG2  THR  29          2HG2      THR  29  -1.499  -0.266   5.053
 1056   3HG2  THR  29          3HG2      THR  29  -0.373  -1.619   5.175
 1057    H    TRP  30           H        TRP  30  -4.472  -0.283   5.397
 1058    HA   TRP  30           HA       TRP  30  -4.632   1.350   2.954
 1059   1HB   TRP  30          1HB       TRP  30  -6.009   2.658   5.055
 1060   2HB   TRP  30          2HB       TRP  30  -6.684   1.940   3.598
 1061    HD1  TRP  30           HD1      TRP  30  -6.931   1.722   7.229
 1062    HE1  TRP  30           HE1      TRP  30  -8.171  -0.419   7.945
 1063    HE3  TRP  30           HE3      TRP  30  -6.801  -0.793   2.797
 1064    HZ2  TRP  30           HZ2      TRP  30  -8.990  -2.856   6.773
 1065    HZ3  TRP  30           HZ3      TRP  30  -7.834  -3.028   2.669
 1066    HH2  TRP  30           HH2      TRP  30  -8.906  -4.035   4.619
 1067    H    THR  31           H        THR  31  -2.937   0.917   5.824
 1068    HA   THR  31           HA       THR  31  -2.232   3.657   6.330
 1069    HB   THR  31           HB       THR  31  -0.678   1.273   7.302
 1070    HG1  THR  31           HG1      THR  31  -2.864   0.884   7.799
 1071   1HG2  THR  31          1HG2      THR  31   0.099   3.676   7.649
 1072   2HG2  THR  31          2HG2      THR  31  -1.285   3.849   8.730
 1073   3HG2  THR  31          3HG2      THR  31  -0.029   2.663   9.088
 1074    H    ASP  32           H        ASP  32  -0.282   4.647   6.026
 1075    HA   ASP  32           HA       ASP  32   0.961   4.213   3.550
 1076   1HB   ASP  32          1HB       ASP  32   2.667   5.881   4.657
 1077   2HB   ASP  32          2HB       ASP  32   1.050   6.415   4.226
 1078    HA   PRO  33           HA       PRO  33   3.680   0.893   4.935
 1079   1HB   PRO  33          1HB       PRO  33   4.976   0.696   2.492
 1080   2HB   PRO  33          2HB       PRO  33   3.501  -0.166   2.933
 1081   1HG   PRO  33          1HG       PRO  33   3.842   2.308   1.315
 1082   2HG   PRO  33          2HG       PRO  33   2.687   0.981   1.115
 1083   1HD   PRO  33          1HD       PRO  33   1.991   3.365   2.177
 1084   2HD   PRO  33          2HD       PRO  33   1.237   1.840   2.682
 1085    H    ARG  34           H        ARG  34   4.585   3.888   3.423
 1086    HA   ARG  34           HA       ARG  34   7.376   3.737   3.746
 1087   1HB   ARG  34          1HB       ARG  34   5.541   6.137   3.713
 1088   2HB   ARG  34          2HB       ARG  34   7.295   6.219   3.606
 1089   1HG   ARG  34          1HG       ARG  34   5.968   4.459   1.655
 1090   2HG   ARG  34          2HG       ARG  34   5.671   6.189   1.479
 1091   1HD   ARG  34          1HD       ARG  34   8.285   6.309   1.816
 1092   2HD   ARG  34          2HD       ARG  34   7.576   6.001   0.232
 1093    HE   ARG  34           HE       ARG  34   8.265   3.771   0.380
 1094   1HH1  ARG  34          1HH1      ARG  34   9.096   5.578   3.241
 1095   2HH1  ARG  34          2HH1      ARG  34  10.220   4.394   3.818
 1096   1HH2  ARG  34          1HH2      ARG  34   9.745   2.207   1.133
 1097   2HH2  ARG  34          2HH2      ARG  34  10.589   2.479   2.621
 1098    H    MET  35           H        MET  35   4.782   4.656   5.904
 1099    HA   MET  35           HA       MET  35   6.756   4.919   8.076
 1100   1HB   MET  35          1HB       MET  35   5.380   6.637   9.100
 1101   2HB   MET  35          2HB       MET  35   4.191   6.494   7.812
 1102   1HG   MET  35          1HG       MET  35   6.939   7.640   7.739
 1103   2HG   MET  35          2HG       MET  35   6.149   7.106   6.257
 1104   1HE   MET  35          1HE       MET  35   6.314   8.955   5.121
 1105   2HE   MET  35          2HE       MET  35   4.632   9.419   4.866
 1106   3HE   MET  35          3HE       MET  35   5.784  10.594   5.499
 1107    H    SER  36           H        SER  36   6.557   3.145   9.274
 1108    HA   SER  36           HA       SER  36   3.895   2.014   9.739
 1109   1HB   SER  36          1HB       SER  36   5.513   0.209  10.891
 1110   2HB   SER  36          2HB       SER  36   5.176   0.205   9.159
 1111    HG   SER  36           HG       SER  36   7.516   0.567  10.417
 1112    H    SER  37           H        SER  37   4.686   4.456  11.049
 1113    HA   SER  37           HA       SER  37   5.339   3.768  13.779
 1114   1HB   SER  37          1HB       SER  37   6.219   5.850  12.997
 1115   2HB   SER  37          2HB       SER  37   4.636   6.376  12.423
 1116    HG   SER  37           HG       SER  37   5.009   7.370  14.374
 1117    H1   SER   1           H1       SER   1  13.713   5.265  -7.492
 1118    H2   SER   1           H2       SER   1  14.703   4.635  -6.274
 1119    H3   SER   1           H3       SER   1  13.775   3.596  -7.234
 1120    HA   SER   1           HA       SER   1  11.798   4.170  -6.232
 1121   1HB   SER   1          1HB       SER   1  14.103   4.062  -4.306
 1122   2HB   SER   1          2HB       SER   1  12.456   4.245  -3.700
 1123    HG   SER   1           HG       SER   1  13.402   2.155  -5.371
 1124    H    MET   2           H        MET   2  10.436   5.816  -5.963
 1125    HA   MET   2           HA       MET   2  11.445   8.321  -4.810
 1126   1HB   MET   2          1HB       MET   2   9.753   9.408  -6.510
 1127   2HB   MET   2          2HB       MET   2  11.396   9.023  -7.001
 1128   1HG   MET   2          1HG       MET   2  10.476   6.825  -7.856
 1129   2HG   MET   2          2HG       MET   2   8.874   7.523  -7.623
 1130   1HE   MET   2          1HE       MET   2   9.157   6.538 -10.327
 1131   2HE   MET   2          2HE       MET   2   7.882   7.710  -9.992
 1132   3HE   MET   2          3HE       MET   2   8.905   7.902 -11.416
 1133    H    GLY   3           H        GLY   3  10.073   6.368  -3.396
 1134   1HA   GLY   3          1HA       GLY   3   8.177   7.717  -1.995
 1135   2HA   GLY   3          2HA       GLY   3   7.261   7.002  -3.318
 1136    H    LEU   4           H        LEU   4   6.297   5.178  -2.792
 1137    HA   LEU   4           HA       LEU   4   6.752   3.746  -0.424
 1138   1HB   LEU   4          1HB       LEU   4   5.101   2.277  -1.158
 1139   2HB   LEU   4          2HB       LEU   4   5.554   2.453  -2.841
 1140    HG   LEU   4           HG       LEU   4   4.711   4.957  -2.374
 1141   1HD1  LEU   4          1HD1      LEU   4   3.627   2.554  -3.548
 1142   2HD1  LEU   4          2HD1      LEU   4   2.345   3.594  -2.922
 1143   3HD1  LEU   4          3HD1      LEU   4   3.503   4.228  -4.091
 1144   1HD2  LEU   4          1HD2      LEU   4   4.167   4.315  -0.002
 1145   2HD2  LEU   4          2HD2      LEU   4   2.843   5.033  -0.920
 1146   3HD2  LEU   4          3HD2      LEU   4   2.890   3.290  -0.658
 1147    HA   PRO   5           HA       PRO   5  10.190   1.059  -1.075
 1148   1HB   PRO   5          1HB       PRO   5   9.954  -0.730   0.348
 1149   2HB   PRO   5          2HB       PRO   5   8.379  -1.180  -0.312
 1150   1HG   PRO   5          1HG       PRO   5   7.710  -0.212   1.688
 1151   2HG   PRO   5          2HG       PRO   5   9.066   0.927   1.694
 1152   1HD   PRO   5          1HD       PRO   5   7.456   2.377   0.930
 1153   2HD   PRO   5          2HD       PRO   5   6.473   1.072   0.236
 1154    HA   PRO   6           HA       PRO   6  10.053  -0.902  -5.040
 1155   1HB   PRO   6          1HB       PRO   6  11.083  -3.429  -4.495
 1156   2HB   PRO   6          2HB       PRO   6  12.042  -1.987  -4.844
 1157   1HG   PRO   6          1HG       PRO   6  12.855  -2.478  -2.729
 1158   2HG   PRO   6          2HG       PRO   6  11.321  -3.195  -2.205
 1159   1HD   PRO   6          1HD       PRO   6  11.195  -1.121  -1.152
 1160   2HD   PRO   6          2HD       PRO   6  12.070  -0.299  -2.464
 1161    H    GLY   7           H        GLY   7   8.848  -2.790  -2.318
 1162   1HA   GLY   7          1HA       GLY   7   6.895  -4.058  -4.136
 1163   2HA   GLY   7          2HA       GLY   7   7.466  -4.780  -2.642
 1164    H    TRP   8           H        TRP   8   6.035  -1.647  -3.590
 1165    HA   TRP   8           HA       TRP   8   3.740  -2.118  -1.917
 1166   1HB   TRP   8          1HB       TRP   8   5.926  -0.253  -1.088
 1167   2HB   TRP   8          2HB       TRP   8   4.259   0.231  -0.781
 1168    HD1  TRP   8           HD1      TRP   8   7.006  -1.683   0.736
 1169    HE1  TRP   8           HE1      TRP   8   6.165  -3.045   2.742
 1170    HE3  TRP   8           HE3      TRP   8   1.974  -1.248  -0.047
 1171    HZ2  TRP   8           HZ2      TRP   8   3.687  -3.830   3.860
 1172    HZ3  TRP   8           HZ3      TRP   8   0.437  -2.331   1.545
 1173    HH2  TRP   8           HH2      TRP   8   1.280  -3.593   3.454
 1174    H    ASP   9           H        ASP   9   2.235  -1.600  -3.377
 1175    HA   ASP   9           HA       ASP   9   2.568   0.901  -4.902
 1176   1HB   ASP   9          1HB       ASP   9   1.310  -0.009  -6.654
 1177   2HB   ASP   9          2HB       ASP   9   2.289  -1.370  -6.118
 1178    H    GLU  10           H        GLU  10   0.531   2.122  -5.311
 1179    HA   GLU  10           HA       GLU  10  -1.260   1.890  -2.986
 1180   1HB   GLU  10          1HB       GLU  10   0.307   3.919  -3.187
 1181   2HB   GLU  10          2HB       GLU  10  -1.382   4.208  -2.803
 1182   1HG   GLU  10          1HG       GLU  10  -0.513   4.288  -5.649
 1183   2HG   GLU  10          2HG       GLU  10  -1.830   5.145  -4.848
 1184    H    TYR  11           H        TYR  11  -3.438   2.043  -3.246
 1185    HA   TYR  11           HA       TYR  11  -4.714   2.892  -5.634
 1186   1HB   TYR  11          1HB       TYR  11  -3.935   0.090  -5.444
 1187   2HB   TYR  11          2HB       TYR  11  -5.675   0.277  -5.638
 1188    HD1  TYR  11           HD1      TYR  11  -6.325   2.086  -7.518
 1189    HD2  TYR  11           HD2      TYR  11  -2.684  -0.111  -7.370
 1190    HE1  TYR  11           HE1      TYR  11  -6.023   2.432  -9.934
 1191    HE2  TYR  11           HE2      TYR  11  -2.373   0.229  -9.786
 1192    HH   TYR  11           HH       TYR  11  -4.648   2.188 -11.672
 1193    H    LYS  12           H        LYS  12  -7.007   2.937  -5.423
 1194    HA   LYS  12           HA       LYS  12  -7.870   2.813  -2.643
 1195   1HB   LYS  12          1HB       LYS  12  -8.793   4.208  -5.084
 1196   2HB   LYS  12          2HB       LYS  12 -10.044   3.730  -3.949
 1197   1HG   LYS  12          1HG       LYS  12  -8.900   4.947  -2.168
 1198   2HG   LYS  12          2HG       LYS  12  -7.657   5.445  -3.314
 1199   1HD   LYS  12          1HD       LYS  12 -10.556   6.026  -3.819
 1200   2HD   LYS  12          2HD       LYS  12  -9.574   7.085  -2.802
 1201   1HE   LYS  12          1HE       LYS  12  -7.958   6.794  -4.959
 1202   2HE   LYS  12          2HE       LYS  12  -9.548   6.703  -5.717
 1203   1HZ   LYS  12          1HZ       LYS  12  -9.781   8.799  -4.011
 1204   2HZ   LYS  12          2HZ       LYS  12  -8.196   8.963  -4.580
 1205   3HZ   LYS  12          3HZ       LYS  12  -9.486   8.915  -5.673
 1206    H    THR  13           H        THR  13  -9.182   1.300  -1.830
 1207    HA   THR  13           HA       THR  13  -9.901  -0.966  -3.433
 1208    HB   THR  13           HB       THR  13 -11.192  -0.765  -0.806
 1209    HG1  THR  13           HG1      THR  13  -8.480  -0.189  -1.133
 1210   1HG2  THR  13          1HG2      THR  13 -10.189  -2.742  -2.550
 1211   2HG2  THR  13          2HG2      THR  13  -9.249  -2.850  -1.062
 1212   3HG2  THR  13          3HG2      THR  13 -11.008  -2.974  -1.005
 1213    H    HIS  14           H        HIS  14 -12.350  -1.765  -2.549
 1214    HA   HIS  14           HA       HIS  14 -14.119  -0.411  -4.244
 1215   1HB   HIS  14          1HB       HIS  14 -14.188  -2.807  -3.032
 1216   2HB   HIS  14          2HB       HIS  14 -15.272  -1.922  -1.962
 1217    HD1  HIS  14           HD1      HIS  14 -14.923  -2.901  -5.599
 1218    HD2  HIS  14           HD2      HIS  14 -17.805  -1.538  -2.933
 1219    HE1  HIS  14           HE1      HIS  14 -17.108  -3.045  -6.838
 1220    HE2  HIS  14           HE2      HIS  14 -18.838  -2.216  -5.206
 1221    H    ASN  15           H        ASN  15 -13.523  -0.103  -0.789
 1222    HA   ASN  15           HA       ASN  15 -15.702   1.685  -0.308
 1223   1HB   ASN  15          1HB       ASN  15 -14.104   0.190   1.306
 1224   2HB   ASN  15          2HB       ASN  15 -13.421   1.796   1.527
 1225   2HD2  ASN  15          2HD2      ASN  15 -14.099   2.056   3.608
 1226   1HD2  ASN  15          1HD2      ASN  15 -15.760   2.242   4.044
 1227    H    GLY  16           H        GLY  16 -12.637   2.013  -1.704
 1228   1HA   GLY  16          1HA       GLY  16 -11.876   3.945  -2.804
 1229   2HA   GLY  16          2HA       GLY  16 -12.973   4.909  -1.830
 1230    H    LYS  17           H        LYS  17 -11.103   2.625  -0.094
 1231    HA   LYS  17           HA       LYS  17  -9.606   4.781   1.143
 1232   1HB   LYS  17          1HB       LYS  17 -10.649   2.762   2.386
 1233   2HB   LYS  17          2HB       LYS  17  -9.043   3.294   2.857
 1234   1HG   LYS  17          1HG       LYS  17  -9.241   1.152   0.813
 1235   2HG   LYS  17          2HG       LYS  17  -8.038   1.412   2.076
 1236   1HD   LYS  17          1HD       LYS  17 -10.148   0.927   3.628
 1237   2HD   LYS  17          2HD       LYS  17  -9.112  -0.359   3.005
 1238   1HE   LYS  17          1HE       LYS  17 -11.703   0.584   1.785
 1239   2HE   LYS  17          2HE       LYS  17 -10.660  -0.673   1.124
 1240   1HZ   LYS  17          1HZ       LYS  17 -11.057  -1.504   3.660
 1241   2HZ   LYS  17          2HZ       LYS  17 -12.554  -0.812   3.284
 1242   3HZ   LYS  17          3HZ       LYS  17 -11.928  -2.048   2.316
 1243    H    THR  18           H        THR  18  -7.624   5.365   0.546
 1244    HA   THR  18           HA       THR  18  -6.353   4.152  -1.693
 1245    HB   THR  18           HB       THR  18  -4.764   5.905   0.114
 1246    HG1  THR  18           HG1      THR  18  -6.174   7.561  -1.327
 1247   1HG2  THR  18          1HG2      THR  18  -5.155   5.531  -2.833
 1248   2HG2  THR  18          2HG2      THR  18  -4.413   7.003  -2.206
 1249   3HG2  THR  18          3HG2      THR  18  -3.671   5.436  -1.883
 1250    H    TYR  19           H        TYR  19  -6.225   1.959  -0.910
 1251    HA   TYR  19           HA       TYR  19  -4.432   1.444   1.304
 1252   1HB   TYR  19          1HB       TYR  19  -5.414  -0.595   1.474
 1253   2HB   TYR  19          2HB       TYR  19  -6.693   0.198   0.562
 1254    HD1  TYR  19           HD1      TYR  19  -6.817  -0.176  -1.929
 1255    HD2  TYR  19           HD2      TYR  19  -4.261  -2.455   0.597
 1256    HE1  TYR  19           HE1      TYR  19  -6.641  -1.902  -3.672
 1257    HE2  TYR  19           HE2      TYR  19  -4.079  -4.187  -1.138
 1258    HH   TYR  19           HH       TYR  19  -5.872  -3.924  -4.190
 1259    H    TYR  20           H        TYR  20  -2.489   0.480   1.211
 1260    HA   TYR  20           HA       TYR  20  -1.235   0.304  -1.435
 1261   1HB   TYR  20          1HB       TYR  20   0.852   0.703  -0.384
 1262   2HB   TYR  20          2HB       TYR  20   0.212   0.339   1.214
 1263    HD1  TYR  20           HD1      TYR  20  -1.438   1.948   2.252
 1264    HD2  TYR  20           HD2      TYR  20   0.806   2.910  -1.231
 1265    HE1  TYR  20           HE1      TYR  20  -1.889   4.336   2.628
 1266    HE2  TYR  20           HE2      TYR  20   0.363   5.300  -0.865
 1267    HH   TYR  20           HH       TYR  20  -0.961   6.773   0.281
 1268    H    TYR  21           H        TYR  21  -0.145  -1.578  -2.055
 1269    HA   TYR  21           HA       TYR  21  -0.529  -3.892  -0.276
 1270   1HB   TYR  21          1HB       TYR  21  -2.185  -3.914  -2.090
 1271   2HB   TYR  21          2HB       TYR  21  -0.890  -3.842  -3.278
 1272    HD1  TYR  21           HD1      TYR  21  -0.168  -5.819  -4.226
 1273    HD2  TYR  21           HD2      TYR  21  -2.001  -5.938  -0.389
 1274    HE1  TYR  21           HE1      TYR  21  -0.049  -8.275  -4.252
 1275    HE2  TYR  21           HE2      TYR  21  -1.887  -8.394  -0.404
 1276    HH   TYR  21           HH       TYR  21  -0.977 -10.175  -3.243
 1277    H    ASN  22           H        ASN  22   1.029  -5.435  -0.219
 1278    HA   ASN  22           HA       ASN  22   3.567  -4.776  -1.555
 1279   1HB   ASN  22          1HB       ASN  22   3.715  -4.718   0.881
 1280   2HB   ASN  22          2HB       ASN  22   3.034  -6.338   0.987
 1281   2HD2  ASN  22          2HD2      ASN  22   5.021  -6.649   2.260
 1282   1HD2  ASN  22          1HD2      ASN  22   6.461  -7.107   1.421
 1283    H    HIS  23           H        HIS  23   3.950  -6.003  -3.269
 1284    HA   HIS  23           HA       HIS  23   2.657  -8.572  -3.575
 1285   1HB   HIS  23          1HB       HIS  23   2.786  -8.137  -5.763
 1286   2HB   HIS  23          2HB       HIS  23   4.527  -7.913  -5.686
 1287    HD1  HIS  23           HD1      HIS  23   1.467  -5.865  -4.711
 1288    HD2  HIS  23           HD2      HIS  23   5.215  -5.420  -6.446
 1289    HE1  HIS  23           HE1      HIS  23   1.642  -3.433  -5.312
 1290    HE2  HIS  23           HE2      HIS  23   3.918  -3.182  -6.363
 1291    H    ASN  24           H        ASN  24   5.099  -7.957  -1.748
 1292    HA   ASN  24           HA       ASN  24   6.860 -10.074  -2.782
 1293   1HB   ASN  24          1HB       ASN  24   7.382  -7.929  -0.712
 1294   2HB   ASN  24          2HB       ASN  24   8.527  -9.193  -1.150
 1295   2HD2  ASN  24          2HD2      ASN  24   8.732  -6.293  -1.354
 1296   1HD2  ASN  24          1HD2      ASN  24   9.070  -5.958  -3.012
 1297    H    THR  25           H        THR  25   4.829  -9.092  -0.141
 1298    HA   THR  25           HA       THR  25   5.107 -11.765   1.035
 1299    HB   THR  25           HB       THR  25   5.263 -10.958   3.259
 1300    HG1  THR  25           HG1      THR  25   4.384  -8.571   2.107
 1301   1HG2  THR  25          1HG2      THR  25   7.071  -9.462   1.380
 1302   2HG2  THR  25          2HG2      THR  25   7.243  -9.335   3.131
 1303   3HG2  THR  25          3HG2      THR  25   7.425 -10.900   2.339
 1304    H    LYS  26           H        LYS  26   3.131 -10.020  -0.589
 1305    HA   LYS  26           HA       LYS  26   0.893  -9.653  -0.738
 1306   1HB   LYS  26          1HB       LYS  26  -0.459 -11.498  -0.295
 1307   2HB   LYS  26          2HB       LYS  26   0.443 -11.941   1.148
 1308   1HG   LYS  26          1HG       LYS  26   2.362 -12.304  -0.668
 1309   2HG   LYS  26          2HG       LYS  26   1.204 -13.563  -0.233
 1310   1HD   LYS  26          1HD       LYS  26  -0.245 -12.685  -2.117
 1311   2HD   LYS  26          2HD       LYS  26   1.159 -11.745  -2.622
 1312   1HE   LYS  26          1HE       LYS  26   2.012 -14.403  -2.151
 1313   2HE   LYS  26          2HE       LYS  26   1.975 -13.518  -3.677
 1314   1HZ   LYS  26          1HZ       LYS  26  -0.506 -14.723  -2.671
 1315   2HZ   LYS  26          2HZ       LYS  26  -0.022 -14.436  -4.266
 1316   3HZ   LYS  26          3HZ       LYS  26   0.648 -15.723  -3.398
 1317    H    THR  27           H        THR  27   1.362  -7.688   0.586
 1318    HA   THR  27           HA       THR  27  -0.054  -7.841   3.176
 1319    HB   THR  27           HB       THR  27   1.994  -5.737   2.535
 1320    HG1  THR  27           HG1      THR  27   2.350  -8.360   3.538
 1321   1HG2  THR  27          1HG2      THR  27   0.668  -6.761   5.032
 1322   2HG2  THR  27          2HG2      THR  27   2.138  -5.785   5.077
 1323   3HG2  THR  27          3HG2      THR  27   0.659  -5.123   4.377
 1324    H    SER  28           H        SER  28  -2.038  -7.044   2.896
 1325    HA   SER  28           HA       SER  28  -2.364  -4.640   1.233
 1326   1HB   SER  28          1HB       SER  28  -3.781  -6.378   0.426
 1327   2HB   SER  28          2HB       SER  28  -4.316  -6.795   2.053
 1328    HG   SER  28           HG       SER  28  -5.815  -5.352   1.870
 1329    H    THR  29           H        THR  29  -2.377  -2.817   2.350
 1330    HA   THR  29           HA       THR  29  -4.013  -2.632   4.772
 1331    HB   THR  29           HB       THR  29  -1.545  -3.017   5.349
 1332    HG1  THR  29           HG1      THR  29  -2.596  -2.228   7.046
 1333   1HG2  THR  29          1HG2      THR  29  -1.399  -0.359   4.000
 1334   2HG2  THR  29          2HG2      THR  29  -0.349  -0.689   5.378
 1335   3HG2  THR  29          3HG2      THR  29  -0.272  -1.714   3.944
 1336    H    TRP  30           H        TRP  30  -4.246  -0.246   5.440
 1337    HA   TRP  30           HA       TRP  30  -4.508   1.347   2.980
 1338   1HB   TRP  30          1HB       TRP  30  -5.912   2.622   5.082
 1339   2HB   TRP  30          2HB       TRP  30  -6.577   1.830   3.659
 1340    HD1  TRP  30           HD1      TRP  30  -6.727   1.684   7.300
 1341    HE1  TRP  30           HE1      TRP  30  -7.809  -0.515   8.094
 1342    HE3  TRP  30           HE3      TRP  30  -6.539  -0.922   2.922
 1343    HZ2  TRP  30           HZ2      TRP  30  -8.495  -3.029   6.996
 1344    HZ3  TRP  30           HZ3      TRP  30  -7.425  -3.220   2.868
 1345    HH2  TRP  30           HH2      TRP  30  -8.385  -4.249   4.865
 1346    H    THR  31           H        THR  31  -2.865   1.124   5.958
 1347    HA   THR  31           HA       THR  31  -2.243   3.910   6.260
 1348    HB   THR  31           HB       THR  31  -0.643   1.679   7.484
 1349    HG1  THR  31           HG1      THR  31  -2.216   1.431   9.025
 1350   1HG2  THR  31          1HG2      THR  31  -0.067   4.170   7.703
 1351   2HG2  THR  31          2HG2      THR  31  -1.498   4.276   8.729
 1352   3HG2  THR  31          3HG2      THR  31  -0.162   3.219   9.185
 1353    H    ASP  32           H        ASP  32  -0.249   4.913   5.952
 1354    HA   ASP  32           HA       ASP  32   1.049   4.388   3.544
 1355   1HB   ASP  32          1HB       ASP  32   1.174   6.363   5.578
 1356   2HB   ASP  32          2HB       ASP  32   2.821   5.814   5.288
 1357    HA   PRO  33           HA       PRO  33   3.555   0.897   4.839
 1358   1HB   PRO  33          1HB       PRO  33   4.954   0.740   2.461
 1359   2HB   PRO  33          2HB       PRO  33   3.401  -0.038   2.777
 1360   1HG   PRO  33          1HG       PRO  33   3.998   2.477   1.307
 1361   2HG   PRO  33          2HG       PRO  33   2.757   1.257   0.991
 1362   1HD   PRO  33          1HD       PRO  33   2.213   3.645   2.148
 1363   2HD   PRO  33          2HD       PRO  33   1.295   2.170   2.505
 1364    H    ARG  34           H        ARG  34   4.678   3.938   3.604
 1365    HA   ARG  34           HA       ARG  34   7.449   3.593   4.000
 1366   1HB   ARG  34          1HB       ARG  34   5.953   6.199   4.287
 1367   2HB   ARG  34          2HB       ARG  34   7.630   5.970   3.809
 1368   1HG   ARG  34          1HG       ARG  34   5.996   4.530   1.996
 1369   2HG   ARG  34          2HG       ARG  34   5.327   6.152   2.173
 1370   1HD   ARG  34          1HD       ARG  34   8.219   5.546   1.575
 1371   2HD   ARG  34          2HD       ARG  34   7.011   5.959   0.358
 1372    HE   ARG  34           HE       ARG  34   6.913   8.155   1.249
 1373   1HH1  ARG  34          1HH1      ARG  34   9.349   6.151   2.735
 1374   2HH1  ARG  34          2HH1      ARG  34  10.230   7.488   3.393
 1375   1HH2  ARG  34          1HH2      ARG  34   8.069   9.920   2.113
 1376   2HH2  ARG  34          2HH2      ARG  34   9.503   9.630   3.040
 1377    H    MET  35           H        MET  35   4.908   3.756   6.187
 1378    HA   MET  35           HA       MET  35   4.702   4.124   8.427
 1379   1HB   MET  35          1HB       MET  35   6.865   2.322   7.826
 1380   2HB   MET  35          2HB       MET  35   7.134   3.122   9.372
 1381   1HG   MET  35          1HG       MET  35   5.242   2.236  10.315
 1382   2HG   MET  35          2HG       MET  35   4.486   1.907   8.757
 1383   1HE   MET  35          1HE       MET  35   3.657  -0.067   9.318
 1384   2HE   MET  35          2HE       MET  35   4.454  -1.072   8.107
 1385   3HE   MET  35          3HE       MET  35   4.470  -1.555   9.803
 1386    H    SER  36           H        SER  36   4.766   6.423   8.389
 1387    HA   SER  36           HA       SER  36   7.308   7.732   8.902
 1388   1HB   SER  36          1HB       SER  36   4.502   8.832   8.650
 1389   2HB   SER  36          2HB       SER  36   5.944   9.819   8.884
 1390    HG   SER  36           HG       SER  36   6.036   9.769   6.785
 1391    H    SER  37           H        SER  37   7.299   9.443  10.686
 1392    HA   SER  37           HA       SER  37   6.635   8.094  13.165
 1393   1HB   SER  37          1HB       SER  37   7.819  10.216  14.116
 1394   2HB   SER  37          2HB       SER  37   8.782   9.004  13.269
 1395    HG   SER  37           HG       SER  37   8.873  11.437  12.709
 1396    H1   SER   1           H1       SER   1  11.845   7.982  -7.836
 1397    H2   SER   1           H2       SER   1  13.495   8.107  -8.184
 1398    H3   SER   1           H3       SER   1  12.974   7.148  -6.892
 1399    HA   SER   1           HA       SER   1  13.895   9.219  -6.090
 1400   1HB   SER   1          1HB       SER   1  12.499  11.300  -6.658
 1401   2HB   SER   1          2HB       SER   1  13.540  10.669  -7.934
 1402    HG   SER   1           HG       SER   1  11.338   9.402  -8.291
 1403    H    MET   2           H        MET   2  13.216   8.161  -4.223
 1404    HA   MET   2           HA       MET   2  11.987   7.802  -2.348
 1405   1HB   MET   2          1HB       MET   2  10.567   9.572  -1.572
 1406   2HB   MET   2          2HB       MET   2  10.352  10.191  -3.203
 1407   1HG   MET   2          1HG       MET   2  12.630  10.497  -1.337
 1408   2HG   MET   2          2HG       MET   2  12.989  10.409  -3.061
 1409   1HE   MET   2          1HE       MET   2  14.111  12.363  -3.009
 1410   2HE   MET   2          2HE       MET   2  13.342  13.856  -3.548
 1411   3HE   MET   2          3HE       MET   2  13.705  13.620  -1.839
 1412    H    GLY   3           H        GLY   3   9.475   7.781  -1.586
 1413   1HA   GLY   3          1HA       GLY   3   7.223   7.286  -2.416
 1414   2HA   GLY   3          2HA       GLY   3   7.986   6.413  -3.741
 1415    H    LEU   4           H        LEU   4   6.383   4.777  -2.908
 1416    HA   LEU   4           HA       LEU   4   6.954   3.442  -0.438
 1417   1HB   LEU   4          1HB       LEU   4   5.474   2.065  -2.607
 1418   2HB   LEU   4          2HB       LEU   4   5.111   2.158  -0.896
 1419    HG   LEU   4           HG       LEU   4   4.809   4.627  -2.543
 1420   1HD1  LEU   4          1HD1      LEU   4   3.396   2.137  -3.033
 1421   2HD1  LEU   4          2HD1      LEU   4   2.310   3.464  -2.613
 1422   3HD1  LEU   4          3HD1      LEU   4   3.422   3.630  -3.972
 1423   1HD2  LEU   4          1HD2      LEU   4   4.488   4.497  -0.041
 1424   2HD2  LEU   4          2HD2      LEU   4   3.141   5.167  -0.961
 1425   3HD2  LEU   4          3HD2      LEU   4   3.064   3.509  -0.367
 1426    HA   PRO   5           HA       PRO   5  10.183   0.587  -1.434
 1427   1HB   PRO   5          1HB       PRO   5   9.914  -1.311  -0.143
 1428   2HB   PRO   5          2HB       PRO   5   8.238  -1.549  -0.653
 1429   1HG   PRO   5          1HG       PRO   5   7.913  -0.648   1.470
 1430   2HG   PRO   5          2HG       PRO   5   9.357   0.373   1.353
 1431   1HD   PRO   5          1HD       PRO   5   6.631   0.806   0.235
 1432   2HD   PRO   5          2HD       PRO   5   7.810   1.989   0.836
 1433    HA   PRO   6           HA       PRO   6   9.593  -1.002  -5.502
 1434   1HB   PRO   6          1HB       PRO   6  10.916  -3.424  -5.390
 1435   2HB   PRO   6          2HB       PRO   6  11.696  -1.856  -5.617
 1436   1HG   PRO   6          1HG       PRO   6  12.773  -2.547  -3.681
 1437   2HG   PRO   6          2HG       PRO   6  11.364  -3.468  -3.119
 1438   1HD   PRO   6          1HD       PRO   6  11.151  -1.583  -1.782
 1439   2HD   PRO   6          2HD       PRO   6  11.867  -0.516  -3.009
 1440    H    GLY   7           H        GLY   7   8.233  -2.554  -2.840
 1441   1HA   GLY   7          1HA       GLY   7   6.711  -4.359  -4.618
 1442   2HA   GLY   7          2HA       GLY   7   7.125  -4.772  -2.962
 1443    H    TRP   8           H        TRP   8   6.515  -1.702  -2.525
 1444    HA   TRP   8           HA       TRP   8   3.715  -2.196  -1.865
 1445   1HB   TRP   8          1HB       TRP   8   5.795  -0.259  -0.901
 1446   2HB   TRP   8          2HB       TRP   8   4.089   0.080  -0.624
 1447    HD1  TRP   8           HD1      TRP   8   6.946  -1.969   0.679
 1448    HE1  TRP   8           HE1      TRP   8   6.168  -3.346   2.696
 1449    HE3  TRP   8           HE3      TRP   8   1.911  -1.196   0.286
 1450    HZ2  TRP   8           HZ2      TRP   8   3.730  -4.021   3.969
 1451    HZ3  TRP   8           HZ3      TRP   8   0.425  -2.240   1.947
 1452    HH2  TRP   8           HH2      TRP   8   1.320  -3.619   3.747
 1453    H    ASP   9           H        ASP   9   2.121  -1.386  -3.029
 1454    HA   ASP   9           HA       ASP   9   2.601   1.029  -4.638
 1455   1HB   ASP   9          1HB       ASP   9   1.462  -1.599  -5.460
 1456   2HB   ASP   9          2HB       ASP   9   0.737  -0.147  -6.144
 1457    H    GLU  10           H        GLU  10   0.848   2.464  -4.814
 1458    HA   GLU  10           HA       GLU  10  -1.197   2.037  -2.757
 1459   1HB   GLU  10          1HB       GLU  10  -1.364   4.369  -2.530
 1460   2HB   GLU  10          2HB       GLU  10   0.354   4.054  -2.706
 1461   1HG   GLU  10          1HG       GLU  10   0.389   5.582  -4.301
 1462   2HG   GLU  10          2HG       GLU  10  -0.543   4.467  -5.300
 1463    H    TYR  11           H        TYR  11  -3.347   2.184  -3.147
 1464    HA   TYR  11           HA       TYR  11  -4.477   3.182  -5.551
 1465   1HB   TYR  11          1HB       TYR  11  -3.737   0.354  -5.463
 1466   2HB   TYR  11          2HB       TYR  11  -5.448   0.599  -5.802
 1467    HD1  TYR  11           HD1      TYR  11  -5.743   2.737  -7.539
 1468    HD2  TYR  11           HD2      TYR  11  -2.464   0.032  -7.355
 1469    HE1  TYR  11           HE1      TYR  11  -5.218   3.224  -9.890
 1470    HE2  TYR  11           HE2      TYR  11  -1.930   0.512  -9.707
 1471    HH   TYR  11           HH       TYR  11  -3.887   2.790 -11.609
 1472    H    LYS  12           H        LYS  12  -6.755   3.273  -5.459
 1473    HA   LYS  12           HA       LYS  12  -7.798   2.976  -2.760
 1474   1HB   LYS  12          1HB       LYS  12  -8.595   4.475  -5.194
 1475   2HB   LYS  12          2HB       LYS  12  -9.885   3.979  -4.111
 1476   1HG   LYS  12          1HG       LYS  12  -8.794   5.130  -2.263
 1477   2HG   LYS  12          2HG       LYS  12  -7.486   5.624  -3.338
 1478   1HD   LYS  12          1HD       LYS  12 -10.345   6.300  -3.950
 1479   2HD   LYS  12          2HD       LYS  12  -9.379   7.303  -2.865
 1480   1HE   LYS  12          1HE       LYS  12  -8.377   8.287  -4.587
 1481   2HE   LYS  12          2HE       LYS  12  -7.880   6.726  -5.239
 1482   1HZ   LYS  12          1HZ       LYS  12 -10.241   6.592  -6.135
 1483   2HZ   LYS  12          2HZ       LYS  12 -10.350   8.248  -5.806
 1484   3HZ   LYS  12          3HZ       LYS  12  -9.188   7.677  -6.897
 1485    H    THR  13           H        THR  13  -9.104   1.395  -2.111
 1486    HA   THR  13           HA       THR  13  -9.713  -0.773  -3.876
 1487    HB   THR  13           HB       THR  13 -11.124  -0.735  -1.299
 1488    HG1  THR  13           HG1      THR  13  -8.337  -1.045  -1.118
 1489   1HG2  THR  13          1HG2      THR  13  -9.375  -2.596  -2.859
 1490   2HG2  THR  13          2HG2      THR  13  -9.715  -2.914  -1.159
 1491   3HG2  THR  13          3HG2      THR  13 -11.039  -2.817  -2.320
 1492    H    HIS  14           H        HIS  14 -12.231  -1.597  -2.937
 1493    HA   HIS  14           HA       HIS  14 -13.941  -0.448  -4.788
 1494   1HB   HIS  14          1HB       HIS  14 -14.067  -2.593  -3.080
 1495   2HB   HIS  14          2HB       HIS  14 -15.307  -1.529  -2.425
 1496    HD1  HIS  14           HD1      HIS  14 -14.348  -2.712  -5.923
 1497    HD2  HIS  14           HD2      HIS  14 -17.694  -2.062  -3.547
 1498    HE1  HIS  14           HE1      HIS  14 -16.317  -3.368  -7.343
 1499    HE2  HIS  14           HE2      HIS  14 -18.333  -2.967  -5.885
 1500    H    ASN  15           H        ASN  15 -14.184  -0.041  -1.245
 1501    HA   ASN  15           HA       ASN  15 -16.092   1.988  -1.295
 1502   1HB   ASN  15          1HB       ASN  15 -15.207   0.617   0.703
 1503   2HB   ASN  15          2HB       ASN  15 -15.662   2.293   0.990
 1504   2HD2  ASN  15          2HD2      ASN  15 -12.857   0.318   0.115
 1505   1HD2  ASN  15          1HD2      ASN  15 -11.712   1.230   1.032
 1506    H    GLY  16           H        GLY  16 -12.633   2.112  -1.737
 1507   1HA   GLY  16          1HA       GLY  16 -11.773   3.941  -3.097
 1508   2HA   GLY  16          2HA       GLY  16 -12.877   5.010  -2.247
 1509    H    LYS  17           H        LYS  17 -11.150   2.608  -0.426
 1510    HA   LYS  17           HA       LYS  17  -9.756   4.716   0.992
 1511   1HB   LYS  17          1HB       LYS  17 -10.837   2.662   2.098
 1512   2HB   LYS  17          2HB       LYS  17  -9.236   3.133   2.648
 1513   1HG   LYS  17          1HG       LYS  17  -9.523   1.054   0.521
 1514   2HG   LYS  17          2HG       LYS  17  -8.223   1.306   1.683
 1515   1HD   LYS  17          1HD       LYS  17  -9.236   0.087   3.277
 1516   2HD   LYS  17          2HD       LYS  17 -10.829   0.745   2.900
 1517   1HE   LYS  17          1HE       LYS  17 -10.616  -0.735   0.761
 1518   2HE   LYS  17          2HE       LYS  17  -9.417  -1.605   1.718
 1519   1HZ   LYS  17          1HZ       LYS  17 -11.120  -1.891   3.449
 1520   2HZ   LYS  17          2HZ       LYS  17 -12.261  -1.156   2.440
 1521   3HZ   LYS  17          3HZ       LYS  17 -11.555  -2.626   1.988
 1522    H    THR  18           H        THR  18  -7.756   5.358   0.546
 1523    HA   THR  18           HA       THR  18  -6.317   4.278  -1.658
 1524    HB   THR  18           HB       THR  18  -4.851   5.927   0.328
 1525    HG1  THR  18           HG1      THR  18  -7.301   6.646  -0.769
 1526   1HG2  THR  18          1HG2      THR  18  -3.913   5.322  -1.874
 1527   2HG2  THR  18          2HG2      THR  18  -5.239   6.185  -2.653
 1528   3HG2  THR  18          3HG2      THR  18  -4.074   7.067  -1.665
 1529    H    TYR  19           H        TYR  19  -6.205   2.050  -1.003
 1530    HA   TYR  19           HA       TYR  19  -4.587   1.432   1.316
 1531   1HB   TYR  19          1HB       TYR  19  -5.639  -0.563   1.360
 1532   2HB   TYR  19          2HB       TYR  19  -6.790   0.230   0.291
 1533    HD1  TYR  19           HD1      TYR  19  -6.496  -0.096  -2.221
 1534    HD2  TYR  19           HD2      TYR  19  -4.462  -2.472   0.663
 1535    HE1  TYR  19           HE1      TYR  19  -6.084  -1.810  -3.933
 1536    HE2  TYR  19           HE2      TYR  19  -4.046  -4.194  -1.042
 1537    HH   TYR  19           HH       TYR  19  -5.346  -3.889  -4.321
 1538    H    TYR  20           H        TYR  20  -2.631   0.555   1.341
 1539    HA   TYR  20           HA       TYR  20  -1.156   0.444  -1.192
 1540   1HB   TYR  20          1HB       TYR  20   0.003   0.459   1.602
 1541   2HB   TYR  20          2HB       TYR  20   0.837   0.812   0.093
 1542    HD1  TYR  20           HD1      TYR  20  -1.692   2.093   2.473
 1543    HD2  TYR  20           HD2      TYR  20   0.862   3.005  -0.803
 1544    HE1  TYR  20           HE1      TYR  20  -2.154   4.486   2.790
 1545    HE2  TYR  20           HE2      TYR  20   0.407   5.402  -0.496
 1546    HH   TYR  20           HH       TYR  20  -2.091   6.555   1.532
 1547    H    TYR  21           H        TYR  21  -0.170  -1.456  -1.843
 1548    HA   TYR  21           HA       TYR  21  -0.500  -3.786  -0.074
 1549   1HB   TYR  21          1HB       TYR  21  -2.249  -3.796  -1.792
 1550   2HB   TYR  21          2HB       TYR  21  -1.025  -3.687  -3.053
 1551    HD1  TYR  21           HD1      TYR  21  -0.175  -5.632  -4.009
 1552    HD2  TYR  21           HD2      TYR  21  -2.122  -5.866  -0.233
 1553    HE1  TYR  21           HE1      TYR  21  -0.038  -8.085  -4.096
 1554    HE2  TYR  21           HE2      TYR  21  -1.990  -8.320  -0.311
 1555    HH   TYR  21           HH       TYR  21  -0.933 -10.077  -1.362
 1556    H    ASN  22           H        ASN  22   1.055  -5.357  -0.131
 1557    HA   ASN  22           HA       ASN  22   3.489  -4.712  -1.662
 1558   1HB   ASN  22          1HB       ASN  22   3.534  -4.713   0.920
 1559   2HB   ASN  22          2HB       ASN  22   3.424  -6.465   0.786
 1560   2HD2  ASN  22          2HD2      ASN  22   5.560  -5.421   2.021
 1561   1HD2  ASN  22          1HD2      ASN  22   6.975  -5.582   1.043
 1562    H    HIS  23           H        HIS  23   3.901  -6.042  -3.295
 1563    HA   HIS  23           HA       HIS  23   2.540  -8.598  -3.453
 1564   1HB   HIS  23          1HB       HIS  23   2.560  -8.242  -5.656
 1565   2HB   HIS  23          2HB       HIS  23   4.308  -8.058  -5.676
 1566    HD1  HIS  23           HD1      HIS  23   1.410  -5.866  -4.523
 1567    HD2  HIS  23           HD2      HIS  23   4.940  -5.645  -6.701
 1568    HE1  HIS  23           HE1      HIS  23   1.586  -3.475  -5.271
 1569    HE2  HIS  23           HE2      HIS  23   3.730  -3.360  -6.590
 1570    H    ASN  24           H        ASN  24   5.321  -7.653  -2.057
 1571    HA   ASN  24           HA       ASN  24   6.942  -9.905  -2.975
 1572   1HB   ASN  24          1HB       ASN  24   7.614  -7.717  -0.994
 1573   2HB   ASN  24          2HB       ASN  24   8.734  -8.921  -1.622
 1574   2HD2  ASN  24          2HD2      ASN  24   8.998  -6.091  -1.786
 1575   1HD2  ASN  24          1HD2      ASN  24   9.014  -5.673  -3.462
 1576    H    THR  25           H        THR  25   4.989  -8.868  -0.319
 1577    HA   THR  25           HA       THR  25   5.504 -11.426   1.032
 1578    HB   THR  25           HB       THR  25   5.600 -10.445   3.184
 1579    HG1  THR  25           HG1      THR  25   4.327  -8.362   1.929
 1580   1HG2  THR  25          1HG2      THR  25   7.254  -9.006   1.143
 1581   2HG2  THR  25          2HG2      THR  25   7.382  -8.583   2.852
 1582   3HG2  THR  25          3HG2      THR  25   7.746 -10.225   2.321
 1583    H    LYS  26           H        LYS  26   3.330  -9.750  -0.587
 1584    HA   LYS  26           HA       LYS  26   1.066  -9.611  -0.689
 1585   1HB   LYS  26          1HB       LYS  26  -0.152 -11.568  -0.123
 1586   2HB   LYS  26          2HB       LYS  26   1.012 -12.029   1.112
 1587   1HG   LYS  26          1HG       LYS  26   2.662 -12.132  -0.916
 1588   2HG   LYS  26          2HG       LYS  26   1.564 -13.472  -0.582
 1589   1HD   LYS  26          1HD       LYS  26  -0.041 -12.470  -2.203
 1590   2HD   LYS  26          2HD       LYS  26   1.198 -11.283  -2.611
 1591   1HE   LYS  26          1HE       LYS  26   2.261 -12.717  -3.932
 1592   2HE   LYS  26          2HE       LYS  26   2.251 -13.957  -2.680
 1593   1HZ   LYS  26          1HZ       LYS  26  -0.321 -13.578  -3.882
 1594   2HZ   LYS  26          2HZ       LYS  26   0.853 -14.038  -5.011
 1595   3HZ   LYS  26          3HZ       LYS  26   0.560 -15.003  -3.652
 1596    H    THR  27           H        THR  27   1.332  -7.643   0.649
 1597    HA   THR  27           HA       THR  27  -0.083  -7.960   3.220
 1598    HB   THR  27           HB       THR  27   2.045  -5.882   2.726
 1599    HG1  THR  27           HG1      THR  27   3.204  -7.347   4.281
 1600   1HG2  THR  27          1HG2      THR  27   0.651  -6.839   5.228
 1601   2HG2  THR  27          2HG2      THR  27   1.979  -5.678   5.185
 1602   3HG2  THR  27          3HG2      THR  27   0.433  -5.278   4.435
 1603    H    SER  28           H        SER  28  -2.036  -7.082   3.024
 1604    HA   SER  28           HA       SER  28  -2.341  -4.669   1.369
 1605   1HB   SER  28          1HB       SER  28  -3.741  -6.481   0.601
 1606   2HB   SER  28          2HB       SER  28  -4.369  -6.744   2.227
 1607    HG   SER  28           HG       SER  28  -5.762  -5.213   1.904
 1608    H    THR  29           H        THR  29  -2.694  -2.794   2.333
 1609    HA   THR  29           HA       THR  29  -4.244  -2.629   4.781
 1610    HB   THR  29           HB       THR  29  -1.874  -2.997   5.534
 1611    HG1  THR  29           HG1      THR  29  -1.965  -1.188   7.005
 1612   1HG2  THR  29          1HG2      THR  29  -1.454  -0.717   3.737
 1613   2HG2  THR  29          2HG2      THR  29  -0.679  -0.561   5.314
 1614   3HG2  THR  29          3HG2      THR  29  -0.321  -1.951   4.290
 1615    H    TRP  30           H        TRP  30  -4.473  -0.223   5.432
 1616    HA   TRP  30           HA       TRP  30  -4.713   1.333   2.946
 1617   1HB   TRP  30          1HB       TRP  30  -6.113   2.634   5.050
 1618   2HB   TRP  30          2HB       TRP  30  -6.773   1.875   3.608
 1619    HD1  TRP  30           HD1      TRP  30  -7.043   1.715   7.221
 1620    HE1  TRP  30           HE1      TRP  30  -8.156  -0.477   7.986
 1621    HE3  TRP  30           HE3      TRP  30  -6.695  -0.927   2.866
 1622    HZ2  TRP  30           HZ2      TRP  30  -8.804  -2.994   6.881
 1623    HZ3  TRP  30           HZ3      TRP  30  -7.583  -3.221   2.799
 1624    HH2  TRP  30           HH2      TRP  30  -8.617  -4.231   4.766
 1625    H    THR  31           H        THR  31  -2.941   1.080   5.791
 1626    HA   THR  31           HA       THR  31  -2.291   3.903   6.019
 1627    HB   THR  31           HB       THR  31  -0.800   1.694   7.405
 1628    HG1  THR  31           HG1      THR  31  -2.388   1.781   9.040
 1629   1HG2  THR  31          1HG2      THR  31  -0.665   4.495   7.445
 1630   2HG2  THR  31          2HG2      THR  31  -1.423   4.025   8.966
 1631   3HG2  THR  31          3HG2      THR  31   0.151   3.365   8.525
 1632    H    ASP  32           H        ASP  32  -0.347   4.822   5.599
 1633    HA   ASP  32           HA       ASP  32   0.950   4.078   3.264
 1634   1HB   ASP  32          1HB       ASP  32   2.527   5.834   3.785
 1635   2HB   ASP  32          2HB       ASP  32   0.916   6.359   4.239
 1636    HA   PRO  33           HA       PRO  33   3.633   0.840   4.722
 1637   1HB   PRO  33          1HB       PRO  33   5.186   0.601   2.517
 1638   2HB   PRO  33          2HB       PRO  33   3.531  -0.005   2.590
 1639   1HG   PRO  33          1HG       PRO  33   4.566   2.538   1.400
 1640   2HG   PRO  33          2HG       PRO  33   3.377   1.398   0.745
 1641   1HD   PRO  33          1HD       PRO  33   2.669   3.710   1.965
 1642   2HD   PRO  33          2HD       PRO  33   1.667   2.244   2.029
 1643    H    ARG  34           H        ARG  34   4.785   3.871   3.456
 1644    HA   ARG  34           HA       ARG  34   7.501   3.697   4.060
 1645   1HB   ARG  34          1HB       ARG  34   5.782   6.172   4.293
 1646   2HB   ARG  34          2HB       ARG  34   7.518   6.118   4.026
 1647   1HG   ARG  34          1HG       ARG  34   6.269   4.607   1.981
 1648   2HG   ARG  34          2HG       ARG  34   5.430   6.154   2.116
 1649   1HD   ARG  34          1HD       ARG  34   8.413   5.813   1.842
 1650   2HD   ARG  34          2HD       ARG  34   7.315   6.225   0.526
 1651    HE   ARG  34           HE       ARG  34   7.990   7.944   2.811
 1652   1HH1  ARG  34          1HH1      ARG  34   6.553   7.501  -0.333
 1653   2HH1  ARG  34          2HH1      ARG  34   6.352   9.197  -0.622
 1654   1HH2  ARG  34          1HH2      ARG  34   7.731  10.177   2.438
 1655   2HH2  ARG  34          2HH2      ARG  34   7.021  10.718   0.954
 1656    H    MET  35           H        MET  35   4.763   3.959   6.105
 1657    HA   MET  35           HA       MET  35   4.457   4.326   8.338
 1658   1HB   MET  35          1HB       MET  35   6.442   2.293   7.823
 1659   2HB   MET  35          2HB       MET  35   6.668   3.011   9.414
 1660   1HG   MET  35          1HG       MET  35   4.607   2.325  10.166
 1661   2HG   MET  35          2HG       MET  35   3.967   2.104   8.538
 1662   1HE   MET  35          1HE       MET  35   2.977   0.060   8.593
 1663   2HE   MET  35          2HE       MET  35   3.705  -1.526   8.854
 1664   3HE   MET  35          3HE       MET  35   3.238  -0.532  10.234
 1665    H    SER  36           H        SER  36   4.773   6.575   8.469
 1666    HA   SER  36           HA       SER  36   7.242   7.865   8.723
 1667   1HB   SER  36          1HB       SER  36   4.471   8.596   9.663
 1668   2HB   SER  36          2HB       SER  36   5.854   9.665   9.899
 1669    HG   SER  36           HG       SER  36   4.866   8.690   7.424
 1670    H    SER  37           H        SER  37   5.043   6.608  11.210
 1671    HA   SER  37           HA       SER  37   7.283   6.714  13.116
 1672   1HB   SER  37          1HB       SER  37   5.440   8.457  13.496
 1673   2HB   SER  37          2HB       SER  37   4.406   7.099  13.940
 1674    HG   SER  37           HG       SER  37   5.476   8.068  15.746
 1675    H1   SER   1           H1       SER   1  13.383   6.271  -8.517
 1676    H2   SER   1           H2       SER   1  13.092   7.230  -9.880
 1677    H3   SER   1           H3       SER   1  13.803   7.909  -8.503
 1678    HA   SER   1           HA       SER   1  11.561   8.603  -8.514
 1679   1HB   SER   1          1HB       SER   1  11.153   6.300  -9.941
 1680   2HB   SER   1          2HB       SER   1  10.410   5.891  -8.394
 1681    HG   SER   1           HG       SER   1   8.794   7.071  -8.993
 1682    H    MET   2           H        MET   2  10.840   9.117  -6.538
 1683    HA   MET   2           HA       MET   2  11.624   7.374  -4.306
 1684   1HB   MET   2          1HB       MET   2  11.220   9.471  -2.926
 1685   2HB   MET   2          2HB       MET   2  12.589   9.516  -4.029
 1686   1HG   MET   2          1HG       MET   2  11.437  10.897  -5.557
 1687   2HG   MET   2          2HG       MET   2   9.897  10.638  -4.740
 1688   1HE   MET   2          1HE       MET   2   8.889  12.383  -3.799
 1689   2HE   MET   2          2HE       MET   2   9.364  11.908  -2.169
 1690   3HE   MET   2          3HE       MET   2   9.529  13.588  -2.682
 1691    H    GLY   3           H        GLY   3  10.161   6.758  -2.734
 1692   1HA   GLY   3          1HA       GLY   3   7.702   7.605  -2.081
 1693   2HA   GLY   3          2HA       GLY   3   7.385   6.745  -3.584
 1694    H    LEU   4           H        LEU   4   6.184   5.095  -2.720
 1695    HA   LEU   4           HA       LEU   4   6.789   3.649  -0.390
 1696   1HB   LEU   4          1HB       LEU   4   5.056   2.238  -0.992
 1697   2HB   LEU   4          2HB       LEU   4   5.427   2.344  -2.701
 1698    HG   LEU   4           HG       LEU   4   4.644   4.845  -2.389
 1699   1HD1  LEU   4          1HD1      LEU   4   3.521   2.500  -3.383
 1700   2HD1  LEU   4          2HD1      LEU   4   2.254   3.230  -2.398
 1701   3HD1  LEU   4          3HD1      LEU   4   2.994   4.153  -3.706
 1702   1HD2  LEU   4          1HD2      LEU   4   4.349   4.258   0.142
 1703   2HD2  LEU   4          2HD2      LEU   4   3.178   5.288  -0.682
 1704   3HD2  LEU   4          3HD2      LEU   4   2.813   3.585  -0.408
 1705    HA   PRO   5           HA       PRO   5  10.176   0.968  -1.290
 1706   1HB   PRO   5          1HB       PRO   5  10.032  -0.833   0.133
 1707   2HB   PRO   5          2HB       PRO   5   8.411  -1.269  -0.417
 1708   1HG   PRO   5          1HG       PRO   5   7.880  -0.313   1.624
 1709   2HG   PRO   5          2HG       PRO   5   9.253   0.803   1.561
 1710   1HD   PRO   5          1HD       PRO   5   7.640   2.300   0.913
 1711   2HD   PRO   5          2HD       PRO   5   6.568   1.025   0.301
 1712    HA   PRO   6           HA       PRO   6   9.764  -0.983  -5.245
 1713   1HB   PRO   6          1HB       PRO   6  10.830  -3.508  -4.761
 1714   2HB   PRO   6          2HB       PRO   6  11.761  -2.069  -5.187
 1715   1HG   PRO   6          1HG       PRO   6  12.725  -2.546  -3.131
 1716   2HG   PRO   6          2HG       PRO   6  11.233  -3.261  -2.494
 1717   1HD   PRO   6          1HD       PRO   6  11.181  -1.180  -1.448
 1718   2HD   PRO   6          2HD       PRO   6  11.953  -0.365  -2.827
 1719    H    GLY   7           H        GLY   7   8.761  -2.871  -2.443
 1720   1HA   GLY   7          1HA       GLY   7   6.708  -4.176  -4.116
 1721   2HA   GLY   7          2HA       GLY   7   7.357  -4.852  -2.630
 1722    H    TRP   8           H        TRP   8   5.986  -1.679  -3.504
 1723    HA   TRP   8           HA       TRP   8   3.710  -2.101  -1.783
 1724   1HB   TRP   8          1HB       TRP   8   5.977  -0.308  -1.008
 1725   2HB   TRP   8          2HB       TRP   8   4.335   0.199  -0.619
 1726    HD1  TRP   8           HD1      TRP   8   7.104  -1.788   0.750
 1727    HE1  TRP   8           HE1      TRP   8   6.310  -3.199   2.743
 1728    HE3  TRP   8           HE3      TRP   8   2.059  -1.283   0.134
 1729    HZ2  TRP   8           HZ2      TRP   8   3.855  -3.995   3.913
 1730    HZ3  TRP   8           HZ3      TRP   8   0.555  -2.401   1.739
 1731    HH2  TRP   8           HH2      TRP   8   1.439  -3.723   3.585
 1732    H    ASP   9           H        ASP   9   2.140  -1.475  -3.114
 1733    HA   ASP   9           HA       ASP   9   2.515   1.038  -4.617
 1734   1HB   ASP   9          1HB       ASP   9   0.936  -1.420  -5.413
 1735   2HB   ASP   9          2HB       ASP   9   0.940   0.100  -6.303
 1736    H    GLU  10           H        GLU  10   0.594   2.326  -4.969
 1737    HA   GLU  10           HA       GLU  10  -1.351   1.968  -2.792
 1738   1HB   GLU  10          1HB       GLU  10  -1.480   4.281  -2.541
 1739   2HB   GLU  10          2HB       GLU  10   0.224   4.007  -2.862
 1740   1HG   GLU  10          1HG       GLU  10   0.085   4.863  -5.021
 1741   2HG   GLU  10          2HG       GLU  10  -1.670   4.704  -5.071
 1742    H    TYR  11           H        TYR  11  -3.522   2.147  -3.155
 1743    HA   TYR  11           HA       TYR  11  -4.644   3.048  -5.607
 1744   1HB   TYR  11          1HB       TYR  11  -3.960   0.222  -5.368
 1745   2HB   TYR  11          2HB       TYR  11  -5.676   0.470  -5.674
 1746    HD1  TYR  11           HD1      TYR  11  -6.159   2.273  -7.594
 1747    HD2  TYR  11           HD2      TYR  11  -2.581   0.005  -7.201
 1748    HE1  TYR  11           HE1      TYR  11  -5.691   2.609  -9.984
 1749    HE2  TYR  11           HE2      TYR  11  -2.103   0.335  -9.591
 1750    HH   TYR  11           HH       TYR  11  -3.821   0.879 -11.755
 1751    H    LYS  12           H        LYS  12  -6.908   3.212  -5.522
 1752    HA   LYS  12           HA       LYS  12  -7.967   3.091  -2.813
 1753   1HB   LYS  12          1HB       LYS  12  -8.719   4.495  -5.328
 1754   2HB   LYS  12          2HB       LYS  12  -9.995   4.155  -4.170
 1755   1HG   LYS  12          1HG       LYS  12  -8.697   5.331  -2.435
 1756   2HG   LYS  12          2HG       LYS  12  -7.496   5.744  -3.659
 1757   1HD   LYS  12          1HD       LYS  12 -10.387   6.442  -4.034
 1758   2HD   LYS  12          2HD       LYS  12  -9.313   7.479  -3.091
 1759   1HE   LYS  12          1HE       LYS  12  -8.438   8.351  -4.937
 1760   2HE   LYS  12          2HE       LYS  12  -8.061   6.749  -5.569
 1761   1HZ   LYS  12          1HZ       LYS  12 -10.786   7.880  -5.740
 1762   2HZ   LYS  12          2HZ       LYS  12  -9.620   8.196  -6.923
 1763   3HZ   LYS  12          3HZ       LYS  12 -10.119   6.607  -6.631
 1764    H    THR  13           H        THR  13  -9.233   1.510  -2.111
 1765    HA   THR  13           HA       THR  13 -10.063  -0.604  -3.867
 1766    HB   THR  13           HB       THR  13 -11.325  -0.596  -1.232
 1767    HG1  THR  13           HG1      THR  13  -8.526  -0.236  -1.491
 1768   1HG2  THR  13          1HG2      THR  13  -9.488  -2.446  -2.741
 1769   2HG2  THR  13          2HG2      THR  13 -10.109  -2.800  -1.129
 1770   3HG2  THR  13          3HG2      THR  13 -11.223  -2.618  -2.483
 1771    H    HIS  14           H        HIS  14 -12.556  -1.307  -2.785
 1772    HA   HIS  14           HA       HIS  14 -14.312   0.083  -4.453
 1773   1HB   HIS  14          1HB       HIS  14 -14.441  -2.151  -2.717
 1774   2HB   HIS  14          2HB       HIS  14 -15.761  -1.078  -2.265
 1775    HD1  HIS  14           HD1      HIS  14 -14.367  -2.206  -5.632
 1776    HD2  HIS  14           HD2      HIS  14 -17.971  -1.847  -3.595
 1777    HE1  HIS  14           HE1      HIS  14 -16.133  -2.979  -7.248
 1778    HE2  HIS  14           HE2      HIS  14 -18.307  -2.753  -5.993
 1779    H    ASN  15           H        ASN  15 -13.882   0.320  -0.926
 1780    HA   ASN  15           HA       ASN  15 -15.808   2.344  -0.530
 1781   1HB   ASN  15          1HB       ASN  15 -14.013   0.856   1.071
 1782   2HB   ASN  15          2HB       ASN  15 -13.709   2.558   1.396
 1783   2HD2  ASN  15          2HD2      ASN  15 -14.512   1.681   3.529
 1784   1HD2  ASN  15          1HD2      ASN  15 -16.210   1.814   3.823
 1785    H    GLY  16           H        GLY  16 -12.663   2.400  -1.850
 1786   1HA   GLY  16          1HA       GLY  16 -11.792   4.250  -3.034
 1787   2HA   GLY  16          2HA       GLY  16 -12.801   5.317  -2.069
 1788    H    LYS  17           H        LYS  17 -11.097   2.906  -0.321
 1789    HA   LYS  17           HA       LYS  17  -9.458   4.950   0.915
 1790   1HB   LYS  17          1HB       LYS  17 -10.585   3.015   2.172
 1791   2HB   LYS  17          2HB       LYS  17  -8.917   3.382   2.584
 1792   1HG   LYS  17          1HG       LYS  17  -9.203   1.365   0.485
 1793   2HG   LYS  17          2HG       LYS  17  -8.190   1.379   1.930
 1794   1HD   LYS  17          1HD       LYS  17  -9.635  -0.339   2.426
 1795   2HD   LYS  17          2HD       LYS  17 -10.468   1.028   3.170
 1796   1HE   LYS  17          1HE       LYS  17 -11.924   1.235   1.259
 1797   2HE   LYS  17          2HE       LYS  17 -11.040  -0.030   0.407
 1798   1HZ   LYS  17          1HZ       LYS  17 -11.700  -1.358   2.578
 1799   2HZ   LYS  17          2HZ       LYS  17 -12.983  -0.257   2.569
 1800   3HZ   LYS  17          3HZ       LYS  17 -12.724  -1.265   1.236
 1801    H    THR  18           H        THR  18  -7.485   5.467   0.263
 1802    HA   THR  18           HA       THR  18  -6.262   4.130  -1.948
 1803    HB   THR  18           HB       THR  18  -4.705   6.014  -0.228
 1804    HG1  THR  18           HG1      THR  18  -6.812   6.944  -0.399
 1805   1HG2  THR  18          1HG2      THR  18  -3.954   4.899  -2.437
 1806   2HG2  THR  18          2HG2      THR  18  -5.021   6.074  -3.208
 1807   3HG2  THR  18          3HG2      THR  18  -3.667   6.626  -2.222
 1808    H    TYR  19           H        TYR  19  -6.236   1.999  -0.923
 1809    HA   TYR  19           HA       TYR  19  -4.485   1.578   1.308
 1810   1HB   TYR  19          1HB       TYR  19  -5.412  -0.499   1.462
 1811   2HB   TYR  19          2HB       TYR  19  -6.680   0.284   0.525
 1812    HD1  TYR  19           HD1      TYR  19  -6.681  -0.048  -1.997
 1813    HD2  TYR  19           HD2      TYR  19  -4.299  -2.391   0.637
 1814    HE1  TYR  19           HE1      TYR  19  -6.458  -1.769  -3.739
 1815    HE2  TYR  19           HE2      TYR  19  -4.069  -4.118  -1.097
 1816    HH   TYR  19           HH       TYR  19  -5.987  -4.218  -3.860
 1817    H    TYR  20           H        TYR  20  -2.554   0.579   1.364
 1818    HA   TYR  20           HA       TYR  20  -1.096   0.407  -1.173
 1819   1HB   TYR  20          1HB       TYR  20   0.912   0.743   0.104
 1820   2HB   TYR  20          2HB       TYR  20   0.062   0.464   1.621
 1821    HD1  TYR  20           HD1      TYR  20  -1.569   2.174   2.445
 1822    HD2  TYR  20           HD2      TYR  20   0.963   2.894  -0.896
 1823    HE1  TYR  20           HE1      TYR  20  -1.977   4.589   2.665
 1824    HE2  TYR  20           HE2      TYR  20   0.562   5.312  -0.685
 1825    HH   TYR  20           HH       TYR  20  -0.573   6.905   0.371
 1826    H    TYR  21           H        TYR  21  -0.144  -1.499  -1.810
 1827    HA   TYR  21           HA       TYR  21  -0.543  -3.820  -0.043
 1828   1HB   TYR  21          1HB       TYR  21  -2.193  -3.773  -1.881
 1829   2HB   TYR  21          2HB       TYR  21  -0.876  -3.752  -3.049
 1830    HD1  TYR  21           HD1      TYR  21   0.210  -5.754  -3.702
 1831    HD2  TYR  21           HD2      TYR  21  -2.520  -5.796  -0.439
 1832    HE1  TYR  21           HE1      TYR  21   0.250  -8.213  -3.708
 1833    HE2  TYR  21           HE2      TYR  21  -2.489  -8.255  -0.438
 1834    HH   TYR  21           HH       TYR  21  -1.914 -10.090  -2.457
 1835    H    ASN  22           H        ASN  22   0.966  -5.444  -0.078
 1836    HA   ASN  22           HA       ASN  22   3.530  -4.798  -1.380
 1837   1HB   ASN  22          1HB       ASN  22   3.431  -4.886   1.163
 1838   2HB   ASN  22          2HB       ASN  22   3.119  -6.610   1.007
 1839   2HD2  ASN  22          2HD2      ASN  22   5.335  -5.327   2.298
 1840   1HD2  ASN  22          1HD2      ASN  22   6.766  -5.862   1.490
 1841    H    HIS  23           H        HIS  23   3.613  -5.933  -3.236
 1842    HA   HIS  23           HA       HIS  23   2.319  -8.462  -3.539
 1843   1HB   HIS  23          1HB       HIS  23   2.954  -8.295  -5.820
 1844   2HB   HIS  23          2HB       HIS  23   4.252  -7.171  -5.461
 1845    HD1  HIS  23           HD1      HIS  23   3.212  -4.818  -4.290
 1846    HD2  HIS  23           HD2      HIS  23   0.793  -7.043  -6.834
 1847    HE1  HIS  23           HE1      HIS  23   1.408  -3.243  -5.051
 1848    HE2  HIS  23           HE2      HIS  23  -0.045  -4.608  -6.591
 1849    H    ASN  24           H        ASN  24   5.201  -7.667  -2.131
 1850    HA   ASN  24           HA       ASN  24   6.646 -10.002  -3.139
 1851   1HB   ASN  24          1HB       ASN  24   7.530  -7.801  -1.259
 1852   2HB   ASN  24          2HB       ASN  24   8.554  -9.113  -1.836
 1853   2HD2  ASN  24          2HD2      ASN  24   8.979  -6.316  -2.161
 1854   1HD2  ASN  24          1HD2      ASN  24   8.998  -5.996  -3.857
 1855    H    THR  25           H        THR  25   4.898  -8.894  -0.371
 1856    HA   THR  25           HA       THR  25   5.461 -11.452   0.965
 1857    HB   THR  25           HB       THR  25   5.669 -10.453   3.102
 1858    HG1  THR  25           HG1      THR  25   5.337  -7.830   2.169
 1859   1HG2  THR  25          1HG2      THR  25   7.247  -9.140   0.938
 1860   2HG2  THR  25          2HG2      THR  25   7.419  -8.549   2.592
 1861   3HG2  THR  25          3HG2      THR  25   7.779 -10.234   2.217
 1862    H    LYS  26           H        LYS  26   3.226  -9.910  -0.607
 1863    HA   LYS  26           HA       LYS  26   0.962  -9.745  -0.609
 1864   1HB   LYS  26          1HB       LYS  26  -0.165 -11.718  -0.121
 1865   2HB   LYS  26          2HB       LYS  26   0.825 -12.055   1.292
 1866   1HG   LYS  26          1HG       LYS  26   2.727 -12.553  -0.222
 1867   2HG   LYS  26          2HG       LYS  26   1.352 -13.646  -0.409
 1868   1HD   LYS  26          1HD       LYS  26   1.544 -11.228  -2.148
 1869   2HD   LYS  26          2HD       LYS  26   2.541 -12.638  -2.512
 1870   1HE   LYS  26          1HE       LYS  26   0.796 -13.816  -3.267
 1871   2HE   LYS  26          2HE       LYS  26  -0.233 -13.305  -1.930
 1872   1HZ   LYS  26          1HZ       LYS  26   0.024 -11.059  -3.438
 1873   2HZ   LYS  26          2HZ       LYS  26  -0.077 -12.282  -4.602
 1874   3HZ   LYS  26          3HZ       LYS  26  -1.304 -12.107  -3.451
 1875    H    THR  27           H        THR  27   1.517  -7.767   0.802
 1876    HA   THR  27           HA       THR  27   0.091  -8.028   3.376
 1877    HB   THR  27           HB       THR  27   2.251  -6.016   2.748
 1878    HG1  THR  27           HG1      THR  27   2.421  -8.603   3.487
 1879   1HG2  THR  27          1HG2      THR  27   0.269  -5.824   4.605
 1880   2HG2  THR  27          2HG2      THR  27   1.535  -6.635   5.529
 1881   3HG2  THR  27          3HG2      THR  27   1.862  -5.082   4.761
 1882    H    SER  28           H        SER  28  -1.907  -7.258   3.072
 1883    HA   SER  28           HA       SER  28  -2.279  -4.870   1.414
 1884   1HB   SER  28          1HB       SER  28  -4.763  -5.941   2.355
 1885   2HB   SER  28          2HB       SER  28  -4.143  -5.889   0.704
 1886    HG   SER  28           HG       SER  28  -3.768  -7.915   2.645
 1887    H    THR  29           H        THR  29  -2.607  -2.953   2.308
 1888    HA   THR  29           HA       THR  29  -4.036  -2.686   4.820
 1889    HB   THR  29           HB       THR  29  -1.604  -3.024   5.436
 1890    HG1  THR  29           HG1      THR  29  -3.171  -0.799   6.129
 1891   1HG2  THR  29          1HG2      THR  29  -1.367  -0.588   3.744
 1892   2HG2  THR  29          2HG2      THR  29  -0.348  -0.717   5.177
 1893   3HG2  THR  29          3HG2      THR  29  -0.265  -1.953   3.921
 1894    H    TRP  30           H        TRP  30  -4.414  -0.320   5.338
 1895    HA   TRP  30           HA       TRP  30  -4.637   1.172   2.814
 1896   1HB   TRP  30          1HB       TRP  30  -6.089   2.493   4.876
 1897   2HB   TRP  30          2HB       TRP  30  -6.710   1.709   3.429
 1898    HD1  TRP  30           HD1      TRP  30  -6.894   1.514   7.087
 1899    HE1  TRP  30           HE1      TRP  30  -8.047  -0.667   7.825
 1900    HE3  TRP  30           HE3      TRP  30  -6.778  -0.989   2.646
 1901    HZ2  TRP  30           HZ2      TRP  30  -8.810  -3.129   6.666
 1902    HZ3  TRP  30           HZ3      TRP  30  -7.740  -3.256   2.537
 1903    HH2  TRP  30           HH2      TRP  30  -8.735  -4.300   4.507
 1904    H    THR  31           H        THR  31  -2.901   1.037   5.694
 1905    HA   THR  31           HA       THR  31  -2.340   3.881   5.860
 1906    HB   THR  31           HB       THR  31  -0.799   1.799   7.368
 1907    HG1  THR  31           HG1      THR  31  -3.016   2.733   8.675
 1908   1HG2  THR  31          1HG2      THR  31  -0.591   4.472   7.354
 1909   2HG2  THR  31          2HG2      THR  31  -1.824   4.284   8.601
 1910   3HG2  THR  31          3HG2      THR  31  -0.259   3.490   8.781
 1911    H    ASP  32           H        ASP  32  -0.358   4.842   5.471
 1912    HA   ASP  32           HA       ASP  32   1.032   4.045   3.208
 1913   1HB   ASP  32          1HB       ASP  32   0.974   6.314   4.630
 1914   2HB   ASP  32          2HB       ASP  32   2.509   5.674   5.209
 1915    HA   PRO  33           HA       PRO  33   3.603   0.781   4.769
 1916   1HB   PRO  33          1HB       PRO  33   5.270   0.570   2.620
 1917   2HB   PRO  33          2HB       PRO  33   3.632  -0.086   2.655
 1918   1HG   PRO  33          1HG       PRO  33   4.635   2.454   1.444
 1919   2HG   PRO  33          2HG       PRO  33   3.461   1.292   0.804
 1920   1HD   PRO  33          1HD       PRO  33   2.728   3.625   1.967
 1921   2HD   PRO  33          2HD       PRO  33   1.736   2.156   2.048
 1922    H    ARG  34           H        ARG  34   4.892   3.803   3.602
 1923    HA   ARG  34           HA       ARG  34   7.508   3.352   4.754
 1924   1HB   ARG  34          1HB       ARG  34   6.286   5.854   3.574
 1925   2HB   ARG  34          2HB       ARG  34   7.972   5.665   4.032
 1926   1HG   ARG  34          1HG       ARG  34   7.318   3.537   2.295
 1927   2HG   ARG  34          2HG       ARG  34   6.703   5.027   1.576
 1928   1HD   ARG  34          1HD       ARG  34   9.473   4.932   2.703
 1929   2HD   ARG  34          2HD       ARG  34   9.149   4.272   1.100
 1930    HE   ARG  34           HE       ARG  34   8.450   6.475   0.410
 1931   1HH1  ARG  34          1HH1      ARG  34  10.080   6.289   3.486
 1932   2HH1  ARG  34          2HH1      ARG  34  10.544   7.958   3.485
 1933   1HH2  ARG  34          1HH2      ARG  34   9.057   8.671   0.402
 1934   2HH2  ARG  34          2HH2      ARG  34   9.963   9.311   1.733
 1935    H    MET  35           H        MET  35   4.476   4.611   5.720
 1936    HA   MET  35           HA       MET  35   5.525   6.220   7.878
 1937   1HB   MET  35          1HB       MET  35   2.842   5.637   6.762
 1938   2HB   MET  35          2HB       MET  35   2.958   6.232   8.415
 1939   1HG   MET  35          1HG       MET  35   2.788   7.821   6.292
 1940   2HG   MET  35          2HG       MET  35   3.597   8.276   7.785
 1941   1HE   MET  35          1HE       MET  35   3.465   8.777   4.608
 1942   2HE   MET  35          2HE       MET  35   5.056   9.448   4.248
 1943   3HE   MET  35          3HE       MET  35   4.641   7.824   3.703
 1944    H    SER  36           H        SER  36   3.002   3.718   7.970
 1945    HA   SER  36           HA       SER  36   2.490   2.122   9.504
 1946   1HB   SER  36          1HB       SER  36   5.456   1.978   9.255
 1947   2HB   SER  36          2HB       SER  36   4.704   1.079  10.572
 1948    HG   SER  36           HG       SER  36   3.394   0.766   8.202
 1949    H    SER  37           H        SER  37   1.715   4.137  10.702
 1950    HA   SER  37           HA       SER  37   2.716   3.957  13.426
 1951   1HB   SER  37          1HB       SER  37   2.621   6.542  11.860
 1952   2HB   SER  37          2HB       SER  37   2.699   6.483  13.621
 1953    HG   SER  37           HG       SER  37   4.619   5.027  13.130
 1954    H1   SER   1           H1       SER   1  13.907   5.503  -7.466
 1955    H2   SER   1           H2       SER   1  12.802   4.343  -8.007
 1956    H3   SER   1           H3       SER   1  12.984   5.797  -8.853
 1957    HA   SER   1           HA       SER   1  11.767   7.001  -7.403
 1958   1HB   SER   1          1HB       SER   1   9.777   5.824  -7.021
 1959   2HB   SER   1          2HB       SER   1  10.546   4.874  -8.293
 1960    HG   SER   1           HG       SER   1   9.756   3.588  -6.548
 1961    H    MET   2           H        MET   2  11.456   7.787  -5.352
 1962    HA   MET   2           HA       MET   2  12.894   6.378  -3.201
 1963   1HB   MET   2          1HB       MET   2  12.585   9.288  -3.854
 1964   2HB   MET   2          2HB       MET   2  12.891   8.794  -2.195
 1965   1HG   MET   2          1HG       MET   2  14.924   7.621  -2.958
 1966   2HG   MET   2          2HG       MET   2  14.632   8.235  -4.583
 1967   1HE   MET   2          1HE       MET   2  16.353   9.788  -5.280
 1968   2HE   MET   2          2HE       MET   2  17.324  10.791  -4.201
 1969   3HE   MET   2          3HE       MET   2  17.368   9.033  -4.050
 1970    H    GLY   3           H        GLY   3   9.920   6.557  -4.208
 1971   1HA   GLY   3          1HA       GLY   3   8.572   7.541  -1.840
 1972   2HA   GLY   3          2HA       GLY   3   7.811   6.830  -3.261
 1973    H    LEU   4           H        LEU   4   6.741   5.047  -2.790
 1974    HA   LEU   4           HA       LEU   4   7.071   3.600  -0.387
 1975   1HB   LEU   4          1HB       LEU   4   5.782   2.400  -2.806
 1976   2HB   LEU   4          2HB       LEU   4   5.329   2.242  -1.120
 1977    HG   LEU   4           HG       LEU   4   5.096   4.946  -2.324
 1978   1HD1  LEU   4          1HD1      LEU   4   4.152   2.941  -3.848
 1979   2HD1  LEU   4          2HD1      LEU   4   2.776   3.182  -2.768
 1980   3HD1  LEU   4          3HD1      LEU   4   3.387   4.526  -3.734
 1981   1HD2  LEU   4          1HD2      LEU   4   4.474   3.979   0.076
 1982   2HD2  LEU   4          2HD2      LEU   4   3.556   5.275  -0.690
 1983   3HD2  LEU   4          3HD2      LEU   4   2.963   3.615  -0.760
 1984    HA   PRO   5           HA       PRO   5  10.328   0.703  -1.059
 1985   1HB   PRO   5          1HB       PRO   5   8.360  -1.408  -0.313
 1986   2HB   PRO   5          2HB       PRO   5   9.967  -1.085   0.345
 1987   1HG   PRO   5          1HG       PRO   5   7.782  -0.411   1.703
 1988   2HG   PRO   5          2HG       PRO   5   9.213   0.630   1.698
 1989   1HD   PRO   5          1HD       PRO   5   6.626   0.956   0.259
 1990   2HD   PRO   5          2HD       PRO   5   7.697   2.188   0.955
 1991    HA   PRO   6           HA       PRO   6  10.103  -1.249  -5.022
 1992   1HB   PRO   6          1HB       PRO   6  10.859  -3.869  -4.446
 1993   2HB   PRO   6          2HB       PRO   6  11.961  -2.535  -4.794
 1994   1HG   PRO   6          1HG       PRO   6  12.694  -3.073  -2.663
 1995   2HG   PRO   6          2HG       PRO   6  11.095  -3.643  -2.157
 1996   1HD   PRO   6          1HD       PRO   6  11.146  -1.559  -1.118
 1997   2HD   PRO   6          2HD       PRO   6  12.105  -0.829  -2.424
 1998    H    GLY   7           H        GLY   7   8.652  -3.030  -2.345
 1999   1HA   GLY   7          1HA       GLY   7   6.605  -4.036  -4.228
 2000   2HA   GLY   7          2HA       GLY   7   7.125  -4.916  -2.800
 2001    H    TRP   8           H        TRP   8   5.826  -1.695  -3.621
 2002    HA   TRP   8           HA       TRP   8   3.595  -2.073  -1.843
 2003   1HB   TRP   8          1HB       TRP   8   5.897  -0.317  -1.094
 2004   2HB   TRP   8          2HB       TRP   8   4.270   0.228  -0.701
 2005    HD1  TRP   8           HD1      TRP   8   7.004  -1.833   0.652
 2006    HE1  TRP   8           HE1      TRP   8   6.201  -3.194   2.672
 2007    HE3  TRP   8           HE3      TRP   8   1.964  -1.175   0.120
 2008    HZ2  TRP   8           HZ2      TRP   8   3.751  -3.901   3.893
 2009    HZ3  TRP   8           HZ3      TRP   8   0.457  -2.227   1.765
 2010    HH2  TRP   8           HH2      TRP   8   1.338  -3.557   3.607
 2011    H    ASP   9           H        ASP   9   2.042  -1.460  -3.219
 2012    HA   ASP   9           HA       ASP   9   2.438   1.042  -4.733
 2013   1HB   ASP   9          1HB       ASP   9   0.949  -1.483  -5.428
 2014   2HB   ASP   9          2HB       ASP   9   0.629   0.036  -6.258
 2015    H    GLU  10           H        GLU  10   0.506   2.339  -5.139
 2016    HA   GLU  10           HA       GLU  10  -1.376   2.168  -2.885
 2017   1HB   GLU  10          1HB       GLU  10  -1.610   4.700  -4.098
 2018   2HB   GLU  10          2HB       GLU  10  -0.914   4.317  -2.530
 2019   1HG   GLU  10          1HG       GLU  10   1.234   3.809  -3.880
 2020   2HG   GLU  10          2HG       GLU  10   0.783   5.482  -3.555
 2021    H    TYR  11           H        TYR  11  -3.485   1.919  -3.231
 2022    HA   TYR  11           HA       TYR  11  -4.795   2.798  -5.616
 2023   1HB   TYR  11          1HB       TYR  11  -3.913   0.003  -5.379
 2024   2HB   TYR  11          2HB       TYR  11  -5.626   0.183  -5.746
 2025    HD1  TYR  11           HD1      TYR  11  -6.151   1.904  -7.688
 2026    HD2  TYR  11           HD2      TYR  11  -2.417  -0.063  -7.144
 2027    HE1  TYR  11           HE1      TYR  11  -5.612   2.283 -10.058
 2028    HE2  TYR  11           HE2      TYR  11  -1.868   0.312  -9.511
 2029    HH   TYR  11           HH       TYR  11  -3.856   2.318 -11.566
 2030    H    LYS  12           H        LYS  12  -7.061   2.790  -5.402
 2031    HA   LYS  12           HA       LYS  12  -7.940   2.632  -2.649
 2032   1HB   LYS  12          1HB       LYS  12  -8.998   3.807  -5.159
 2033   2HB   LYS  12          2HB       LYS  12 -10.171   3.342  -3.945
 2034   1HG   LYS  12          1HG       LYS  12  -9.384   4.892  -2.430
 2035   2HG   LYS  12          2HG       LYS  12  -7.825   5.032  -3.249
 2036   1HD   LYS  12          1HD       LYS  12  -9.681   5.720  -5.184
 2037   2HD   LYS  12          2HD       LYS  12 -10.286   6.470  -3.712
 2038   1HE   LYS  12          1HE       LYS  12  -7.432   6.701  -4.588
 2039   2HE   LYS  12          2HE       LYS  12  -8.670   7.833  -5.131
 2040   1HZ   LYS  12          1HZ       LYS  12  -8.675   7.453  -2.290
 2041   2HZ   LYS  12          2HZ       LYS  12  -7.200   8.057  -2.856
 2042   3HZ   LYS  12          3HZ       LYS  12  -8.636   8.888  -3.185
 2043    H    THR  13           H        THR  13  -9.144   1.064  -1.762
 2044    HA   THR  13           HA       THR  13  -9.498  -1.390  -3.096
 2045    HB   THR  13           HB       THR  13 -11.138  -0.783  -0.682
 2046    HG1  THR  13           HG1      THR  13  -9.036  -1.263   0.476
 2047   1HG2  THR  13          1HG2      THR  13 -10.874  -3.044  -1.889
 2048   2HG2  THR  13          2HG2      THR  13  -9.276  -3.085  -1.144
 2049   3HG2  THR  13          3HG2      THR  13 -10.718  -3.009  -0.132
 2050    H    HIS  14           H        HIS  14 -12.319  -0.220  -1.406
 2051    HA   HIS  14           HA       HIS  14 -13.818  -0.290  -3.941
 2052   1HB   HIS  14          1HB       HIS  14 -14.071  -2.042  -1.757
 2053   2HB   HIS  14          2HB       HIS  14 -15.467  -0.973  -1.671
 2054    HD1  HIS  14           HD1      HIS  14 -13.755  -2.600  -4.662
 2055    HD2  HIS  14           HD2      HIS  14 -17.491  -2.302  -2.863
 2056    HE1  HIS  14           HE1      HIS  14 -15.329  -3.859  -6.167
 2057    HE2  HIS  14           HE2      HIS  14 -17.584  -3.665  -5.060
 2058    H    ASN  15           H        ASN  15 -14.400   0.637  -0.538
 2059    HA   ASN  15           HA       ASN  15 -16.266   2.636  -1.106
 2060   1HB   ASN  15          1HB       ASN  15 -15.534   3.542   1.200
 2061   2HB   ASN  15          2HB       ASN  15 -16.218   1.921   1.126
 2062   2HD2  ASN  15          2HD2      ASN  15 -14.832   0.128   1.315
 2063   1HD2  ASN  15          1HD2      ASN  15 -13.282   0.273   2.064
 2064    H    GLY  16           H        GLY  16 -12.795   2.659  -1.205
 2065   1HA   GLY  16          1HA       GLY  16 -11.951   4.401  -2.790
 2066   2HA   GLY  16          2HA       GLY  16 -12.868   5.547  -1.826
 2067    H    LYS  17           H        LYS  17 -11.230   2.970  -0.170
 2068    HA   LYS  17           HA       LYS  17  -9.493   4.918   1.091
 2069   1HB   LYS  17          1HB       LYS  17 -10.656   3.131   2.408
 2070   2HB   LYS  17          2HB       LYS  17  -8.922   3.185   2.659
 2071   1HG   LYS  17          1HG       LYS  17  -9.433   1.371   0.541
 2072   2HG   LYS  17          2HG       LYS  17  -8.781   1.052   2.144
 2073   1HD   LYS  17          1HD       LYS  17 -11.367   1.308   2.770
 2074   2HD   LYS  17          2HD       LYS  17 -11.525   0.705   1.118
 2075   1HE   LYS  17          1HE       LYS  17 -10.891  -1.355   1.702
 2076   2HE   LYS  17          2HE       LYS  17  -9.537  -0.753   2.657
 2077   1HZ   LYS  17          1HZ       LYS  17 -12.283  -0.536   3.699
 2078   2HZ   LYS  17          2HZ       LYS  17 -11.447  -2.002   3.823
 2079   3HZ   LYS  17          3HZ       LYS  17 -10.822  -0.606   4.547
 2080    H    THR  18           H        THR  18  -7.567   5.406   0.288
 2081    HA   THR  18           HA       THR  18  -6.418   3.984  -1.895
 2082    HB   THR  18           HB       THR  18  -4.679   5.769  -0.276
 2083    HG1  THR  18           HG1      THR  18  -6.591   7.003  -1.925
 2084   1HG2  THR  18          1HG2      THR  18  -5.189   5.133  -3.140
 2085   2HG2  THR  18          2HG2      THR  18  -4.511   6.710  -2.738
 2086   3HG2  THR  18          3HG2      THR  18  -3.662   5.238  -2.264
 2087    H    TYR  19           H        TYR  19  -6.368   1.854  -0.971
 2088    HA   TYR  19           HA       TYR  19  -4.663   1.357   1.283
 2089   1HB   TYR  19          1HB       TYR  19  -5.550  -0.757   1.331
 2090   2HB   TYR  19          2HB       TYR  19  -6.846   0.095   0.495
 2091    HD1  TYR  19           HD1      TYR  19  -7.244  -0.296  -1.885
 2092    HD2  TYR  19           HD2      TYR  19  -4.189  -2.400   0.198
 2093    HE1  TYR  19           HE1      TYR  19  -7.111  -1.918  -3.729
 2094    HE2  TYR  19           HE2      TYR  19  -4.048  -4.027  -1.639
 2095    HH   TYR  19           HH       TYR  19  -4.591  -4.300  -3.903
 2096    H    TYR  20           H        TYR  20  -2.668   0.586   1.328
 2097    HA   TYR  20           HA       TYR  20  -1.207   0.425  -1.199
 2098   1HB   TYR  20          1HB       TYR  20   0.804   0.684   0.157
 2099   2HB   TYR  20          2HB       TYR  20  -0.142   0.528   1.633
 2100    HD1  TYR  20           HD1      TYR  20  -1.686   2.340   2.312
 2101    HD2  TYR  20           HD2      TYR  20   0.921   2.763  -1.024
 2102    HE1  TYR  20           HE1      TYR  20  -2.025   4.775   2.361
 2103    HE2  TYR  20           HE2      TYR  20   0.589   5.198  -0.983
 2104    HH   TYR  20           HH       TYR  20  -1.006   6.827  -0.179
 2105    H    TYR  21           H        TYR  21  -0.224  -1.450  -1.865
 2106    HA   TYR  21           HA       TYR  21  -0.620  -3.808  -0.145
 2107   1HB   TYR  21          1HB       TYR  21  -2.262  -3.792  -1.951
 2108   2HB   TYR  21          2HB       TYR  21  -0.979  -3.619  -3.143
 2109    HD1  TYR  21           HD1      TYR  21  -0.083  -5.515  -4.148
 2110    HD2  TYR  21           HD2      TYR  21  -2.159  -5.917  -0.455
 2111    HE1  TYR  21           HE1      TYR  21   0.086  -7.962  -4.326
 2112    HE2  TYR  21           HE2      TYR  21  -1.995  -8.366  -0.624
 2113    HH   TYR  21           HH       TYR  21  -1.545 -10.009  -3.158
 2114    H    ASN  22           H        ASN  22   0.904  -5.391  -0.142
 2115    HA   ASN  22           HA       ASN  22   3.472  -4.744  -1.430
 2116   1HB   ASN  22          1HB       ASN  22   3.402  -4.818   1.090
 2117   2HB   ASN  22          2HB       ASN  22   2.995  -6.526   0.973
 2118   2HD2  ASN  22          2HD2      ASN  22   5.185  -5.734   2.363
 2119   1HD2  ASN  22          1HD2      ASN  22   6.621  -6.212   1.529
 2120    H    HIS  23           H        HIS  23   3.865  -5.950  -3.170
 2121    HA   HIS  23           HA       HIS  23   2.470  -8.457  -3.552
 2122   1HB   HIS  23          1HB       HIS  23   2.571  -7.918  -5.712
 2123   2HB   HIS  23          2HB       HIS  23   4.328  -7.885  -5.669
 2124    HD1  HIS  23           HD1      HIS  23   1.669  -5.499  -4.338
 2125    HD2  HIS  23           HD2      HIS  23   5.125  -5.506  -6.645
 2126    HE1  HIS  23           HE1      HIS  23   2.062  -3.101  -4.962
 2127    HE2  HIS  23           HE2      HIS  23   4.159  -3.123  -6.361
 2128    H    ASN  24           H        ASN  24   5.288  -7.656  -2.062
 2129    HA   ASN  24           HA       ASN  24   6.785  -9.978  -3.024
 2130   1HB   ASN  24          1HB       ASN  24   8.659  -9.070  -1.727
 2131   2HB   ASN  24          2HB       ASN  24   7.614  -7.806  -1.086
 2132   2HD2  ASN  24          2HD2      ASN  24   9.050  -6.262  -1.928
 2133   1HD2  ASN  24          1HD2      ASN  24   9.045  -5.860  -3.608
 2134    H    THR  25           H        THR  25   4.921  -8.879  -0.336
 2135    HA   THR  25           HA       THR  25   5.409 -11.439   1.018
 2136    HB   THR  25           HB       THR  25   5.600 -10.451   3.166
 2137    HG1  THR  25           HG1      THR  25   4.426  -8.297   1.911
 2138   1HG2  THR  25          1HG2      THR  25   7.266  -9.110   1.067
 2139   2HG2  THR  25          2HG2      THR  25   7.462  -8.683   2.768
 2140   3HG2  THR  25          3HG2      THR  25   7.728 -10.345   2.240
 2141    H    LYS  26           H        LYS  26   3.247  -9.920  -0.622
 2142    HA   LYS  26           HA       LYS  26   0.989  -9.644  -0.644
 2143   1HB   LYS  26          1HB       LYS  26   0.902 -12.015   1.210
 2144   2HB   LYS  26          2HB       LYS  26  -0.233 -11.583  -0.062
 2145   1HG   LYS  26          1HG       LYS  26   2.602 -12.515  -0.479
 2146   2HG   LYS  26          2HG       LYS  26   1.147 -13.492  -0.693
 2147   1HD   LYS  26          1HD       LYS  26   0.657 -11.250  -2.227
 2148   2HD   LYS  26          2HD       LYS  26   2.374 -11.561  -2.487
 2149   1HE   LYS  26          1HE       LYS  26   1.114 -14.050  -2.586
 2150   2HE   LYS  26          2HE       LYS  26   1.810 -13.150  -3.930
 2151   1HZ   LYS  26          1HZ       LYS  26  -0.882 -12.413  -3.073
 2152   2HZ   LYS  26          2HZ       LYS  26  -0.213 -12.449  -4.626
 2153   3HZ   LYS  26          3HZ       LYS  26  -0.710 -13.886  -3.887
 2154    H    THR  27           H        THR  27   1.390  -7.665   0.694
 2155    HA   THR  27           HA       THR  27  -0.002  -7.924   3.284
 2156    HB   THR  27           HB       THR  27   2.134  -5.878   2.699
 2157    HG1  THR  27           HG1      THR  27   2.446  -8.460   3.194
 2158   1HG2  THR  27          1HG2      THR  27   0.482  -5.251   4.408
 2159   2HG2  THR  27          2HG2      THR  27   0.828  -6.745   5.281
 2160   3HG2  THR  27          3HG2      THR  27   2.080  -5.514   5.109
 2161    H    SER  28           H        SER  28  -1.986  -7.149   2.961
 2162    HA   SER  28           HA       SER  28  -2.324  -4.720   1.345
 2163   1HB   SER  28          1HB       SER  28  -4.758  -5.348   1.373
 2164   2HB   SER  28          2HB       SER  28  -3.717  -6.541   0.597
 2165    HG   SER  28           HG       SER  28  -4.516  -7.907   1.964
 2166    H    THR  29           H        THR  29  -2.716  -2.842   2.308
 2167    HA   THR  29           HA       THR  29  -4.232  -2.690   4.770
 2168    HB   THR  29           HB       THR  29  -1.770  -3.102   5.396
 2169    HG1  THR  29           HG1      THR  29  -3.144  -2.331   6.965
 2170   1HG2  THR  29          1HG2      THR  29  -1.180  -1.194   3.613
 2171   2HG2  THR  29          2HG2      THR  29  -1.304  -0.200   5.065
 2172   3HG2  THR  29          3HG2      THR  29  -0.167  -1.548   5.012
 2173    H    TRP  30           H        TRP  30  -4.522  -0.338   5.440
 2174    HA   TRP  30           HA       TRP  30  -4.688   1.303   3.007
 2175   1HB   TRP  30          1HB       TRP  30  -6.034   2.551   5.199
 2176   2HB   TRP  30          2HB       TRP  30  -6.714   1.941   3.697
 2177    HD1  TRP  30           HD1      TRP  30  -7.033   1.513   7.283
 2178    HE1  TRP  30           HE1      TRP  30  -8.261  -0.675   7.864
 2179    HE3  TRP  30           HE3      TRP  30  -6.761  -0.793   2.740
 2180    HZ2  TRP  30           HZ2      TRP  30  -9.017  -3.065   6.559
 2181    HZ3  TRP  30           HZ3      TRP  30  -7.757  -3.029   2.482
 2182    HH2  TRP  30           HH2      TRP  30  -8.864  -4.138   4.354
 2183    H    THR  31           H        THR  31  -2.879   0.874   5.774
 2184    HA   THR  31           HA       THR  31  -2.186   3.628   6.263
 2185    HB   THR  31           HB       THR  31  -0.545   1.298   7.201
 2186    HG1  THR  31           HG1      THR  31  -2.325   0.567   8.102
 2187   1HG2  THR  31          1HG2      THR  31   0.149   3.674   7.620
 2188   2HG2  THR  31          2HG2      THR  31  -1.305   3.856   8.602
 2189   3HG2  THR  31          3HG2      THR  31  -0.062   2.696   9.073
 2190    H    ASP  32           H        ASP  32  -0.236   4.627   5.803
 2191    HA   ASP  32           HA       ASP  32   0.910   3.986   3.291
 2192   1HB   ASP  32          1HB       ASP  32   0.940   6.186   5.104
 2193   2HB   ASP  32          2HB       ASP  32   2.609   5.778   4.718
 2194    HA   PRO  33           HA       PRO  33   3.917   1.028   4.784
 2195   1HB   PRO  33          1HB       PRO  33   5.285   0.758   2.445
 2196   2HB   PRO  33          2HB       PRO  33   3.745  -0.044   2.767
 2197   1HG   PRO  33          1HG       PRO  33   4.301   2.451   1.217
 2198   2HG   PRO  33          2HG       PRO  33   3.187   1.125   0.843
 2199   1HD   PRO  33          1HD       PRO  33   2.353   3.471   1.896
 2200   2HD   PRO  33          2HD       PRO  33   1.556   1.925   2.253
 2201    H    ARG  34           H        ARG  34   4.627   4.038   3.216
 2202    HA   ARG  34           HA       ARG  34   7.397   4.153   3.438
 2203   1HB   ARG  34          1HB       ARG  34   5.584   6.517   3.899
 2204   2HB   ARG  34          2HB       ARG  34   7.200   6.515   3.209
 2205   1HG   ARG  34          1HG       ARG  34   5.583   4.839   1.608
 2206   2HG   ARG  34          2HG       ARG  34   4.696   6.337   1.889
 2207   1HD   ARG  34          1HD       ARG  34   6.812   7.558   1.238
 2208   2HD   ARG  34          2HD       ARG  34   7.436   6.001   0.695
 2209    HE   ARG  34           HE       ARG  34   6.161   6.215  -1.180
 2210   1HH1  ARG  34          1HH1      ARG  34   4.823   8.272   1.295
 2211   2HH1  ARG  34          2HH1      ARG  34   3.630   8.970   0.252
 2212   1HH2  ARG  34          1HH2      ARG  34   4.593   7.129  -2.561
 2213   2HH2  ARG  34          2HH2      ARG  34   3.500   8.321  -1.940
 2214    H    MET  35           H        MET  35   4.930   4.445   5.860
 2215    HA   MET  35           HA       MET  35   7.018   4.904   7.886
 2216   1HB   MET  35          1HB       MET  35   5.397   6.176   9.205
 2217   2HB   MET  35          2HB       MET  35   4.183   5.953   7.953
 2218   1HG   MET  35          1HG       MET  35   6.652   7.619   7.927
 2219   2HG   MET  35          2HG       MET  35   5.888   7.117   6.419
 2220   1HE   MET  35          1HE       MET  35   5.340   9.276   5.443
 2221   2HE   MET  35          2HE       MET  35   4.474  10.609   6.208
 2222   3HE   MET  35          3HE       MET  35   6.123  10.226   6.706
 2223    H    SER  36           H        SER  36   5.549   4.540  10.158
 2224    HA   SER  36           HA       SER  36   3.938   2.177  10.036
 2225   1HB   SER  36          1HB       SER  36   6.350   1.356   9.761
 2226   2HB   SER  36          2HB       SER  36   6.589   1.850  11.437
 2227    HG   SER  36           HG       SER  36   5.601  -0.415  10.590
 2228    H    SER  37           H        SER  37   2.427   3.013  11.355
 2229    HA   SER  37           HA       SER  37   3.143   3.408  14.144
 2230   1HB   SER  37          1HB       SER  37   2.969   5.637  12.543
 2231   2HB   SER  37          2HB       SER  37   1.336   5.523  13.200
 2232    HG   SER  37           HG       SER  37   2.070   6.092  15.085
 2233    H1   SER   1           H1       SER   1   1.869   9.805  -0.648
 2234    H2   SER   1           H2       SER   1   1.739  11.464  -0.347
 2235    H3   SER   1           H3       SER   1   1.423  10.858  -1.894
 2236    HA   SER   1           HA       SER   1   3.550  11.839  -1.986
 2237   1HB   SER   1          1HB       SER   1   4.674  10.087   0.139
 2238   2HB   SER   1          2HB       SER   1   5.076  11.753  -0.276
 2239    HG   SER   1           HG       SER   1   3.981  11.523   1.758
 2240    H    MET   2           H        MET   2   5.199  10.964  -3.245
 2241    HA   MET   2           HA       MET   2   4.793   8.152  -3.982
 2242   1HB   MET   2          1HB       MET   2   5.696   8.667  -6.112
 2243   2HB   MET   2          2HB       MET   2   6.386  10.179  -5.541
 2244   1HG   MET   2          1HG       MET   2   3.818   9.672  -6.696
 2245   2HG   MET   2          2HG       MET   2   3.626  10.364  -5.086
 2246   1HE   MET   2          1HE       MET   2   4.418  12.280  -4.247
 2247   2HE   MET   2          2HE       MET   2   5.228  13.626  -5.051
 2248   3HE   MET   2          3HE       MET   2   3.483  13.427  -5.207
 2249    H    GLY   3           H        GLY   3   6.187   6.717  -3.209
 2250   1HA   GLY   3          1HA       GLY   3   8.902   6.693  -3.514
 2251   2HA   GLY   3          2HA       GLY   3   8.658   7.535  -1.987
 2252    H    LEU   4           H        LEU   4   6.375   5.105  -2.891
 2253    HA   LEU   4           HA       LEU   4   6.779   3.591  -0.556
 2254   1HB   LEU   4          1HB       LEU   4   5.595   2.364  -3.005
 2255   2HB   LEU   4          2HB       LEU   4   5.101   2.195  -1.332
 2256    HG   LEU   4           HG       LEU   4   4.776   4.857  -2.639
 2257   1HD1  LEU   4          1HD1      LEU   4   3.447   2.372  -3.475
 2258   2HD1  LEU   4          2HD1      LEU   4   2.368   3.722  -3.121
 2259   3HD1  LEU   4          3HD1      LEU   4   3.641   3.902  -4.330
 2260   1HD2  LEU   4          1HD2      LEU   4   3.359   3.263  -0.526
 2261   2HD2  LEU   4          2HD2      LEU   4   4.191   4.810  -0.364
 2262   3HD2  LEU   4          3HD2      LEU   4   2.661   4.717  -1.238
 2263    HA   PRO   5           HA       PRO   5  10.240   0.945  -1.309
 2264   1HB   PRO   5          1HB       PRO   5  10.038  -0.844   0.123
 2265   2HB   PRO   5          2HB       PRO   5   8.436  -1.278  -0.481
 2266   1HG   PRO   5          1HG       PRO   5   7.840  -0.302   1.534
 2267   2HG   PRO   5          2HG       PRO   5   9.214   0.813   1.503
 2268   1HD   PRO   5          1HD       PRO   5   7.621   2.300   0.785
 2269   2HD   PRO   5          2HD       PRO   5   6.575   1.019   0.144
 2270    HA   PRO   6           HA       PRO   6   9.969  -1.041  -5.259
 2271   1HB   PRO   6          1HB       PRO   6  10.981  -3.578  -4.706
 2272   2HB   PRO   6          2HB       PRO   6  11.944  -2.157  -5.121
 2273   1HG   PRO   6          1HG       PRO   6  12.834  -2.603  -3.031
 2274   2HG   PRO   6          2HG       PRO   6  11.322  -3.311  -2.436
 2275   1HD   PRO   6          1HD       PRO   6  11.233  -1.223  -1.409
 2276   2HD   PRO   6          2HD       PRO   6  12.065  -0.421  -2.760
 2277    H    GLY   7           H        GLY   7   8.839  -2.899  -2.485
 2278   1HA   GLY   7          1HA       GLY   7   6.811  -4.162  -4.223
 2279   2HA   GLY   7          2HA       GLY   7   7.415  -4.868  -2.733
 2280    H    TRP   8           H        TRP   8   6.066  -1.693  -3.642
 2281    HA   TRP   8           HA       TRP   8   3.780  -2.098  -1.933
 2282   1HB   TRP   8          1HB       TRP   8   6.045  -0.320  -1.138
 2283   2HB   TRP   8          2HB       TRP   8   4.405   0.224  -0.793
 2284    HD1  TRP   8           HD1      TRP   8   7.106  -1.806   0.659
 2285    HE1  TRP   8           HE1      TRP   8   6.247  -3.156   2.666
 2286    HE3  TRP   8           HE3      TRP   8   2.080  -1.178  -0.037
 2287    HZ2  TRP   8           HZ2      TRP   8   3.759  -3.862   3.816
 2288    HZ3  TRP   8           HZ3      TRP   8   0.529  -2.226   1.570
 2289    HH2  TRP   8           HH2      TRP   8   1.355  -3.535   3.452
 2290    H    ASP   9           H        ASP   9   2.140  -1.338  -3.079
 2291    HA   ASP   9           HA       ASP   9   2.557   1.108  -4.675
 2292   1HB   ASP   9          1HB       ASP   9   1.142   0.267  -6.403
 2293   2HB   ASP   9          2HB       ASP   9   2.319  -0.994  -6.051
 2294    H    GLU  10           H        GLU  10   0.520   2.326  -5.102
 2295    HA   GLU  10           HA       GLU  10  -1.338   2.048  -2.835
 2296   1HB   GLU  10          1HB       GLU  10  -1.294   4.307  -2.413
 2297   2HB   GLU  10          2HB       GLU  10   0.360   4.043  -2.939
 2298   1HG   GLU  10          1HG       GLU  10  -1.831   5.006  -4.759
 2299   2HG   GLU  10          2HG       GLU  10  -0.743   6.076  -3.876
 2300    H    TYR  11           H        TYR  11  -3.495   2.365  -3.164
 2301    HA   TYR  11           HA       TYR  11  -4.637   3.444  -5.513
 2302   1HB   TYR  11          1HB       TYR  11  -3.960   0.614  -5.580
 2303   2HB   TYR  11          2HB       TYR  11  -5.687   0.878  -5.802
 2304    HD1  TYR  11           HD1      TYR  11  -6.115   3.042  -7.447
 2305    HD2  TYR  11           HD2      TYR  11  -2.773   0.408  -7.541
 2306    HE1  TYR  11           HE1      TYR  11  -5.732   3.620  -9.805
 2307    HE2  TYR  11           HE2      TYR  11  -2.383   0.979  -9.901
 2308    HH   TYR  11           HH       TYR  11  -3.401   1.917 -11.762
 2309    H    LYS  12           H        LYS  12  -6.966   3.446  -5.436
 2310    HA   LYS  12           HA       LYS  12  -7.931   3.143  -2.696
 2311   1HB   LYS  12          1HB       LYS  12  -8.735   4.763  -5.054
 2312   2HB   LYS  12          2HB       LYS  12 -10.001   4.300  -3.927
 2313   1HG   LYS  12          1HG       LYS  12  -8.770   5.338  -2.100
 2314   2HG   LYS  12          2HG       LYS  12  -7.492   5.801  -3.222
 2315   1HD   LYS  12          1HD       LYS  12 -10.346   6.639  -3.636
 2316   2HD   LYS  12          2HD       LYS  12  -9.235   7.572  -2.629
 2317   1HE   LYS  12          1HE       LYS  12  -7.686   7.354  -4.759
 2318   2HE   LYS  12          2HE       LYS  12  -9.238   7.151  -5.572
 2319   1HZ   LYS  12          1HZ       LYS  12  -9.952   9.251  -4.495
 2320   2HZ   LYS  12          2HZ       LYS  12  -8.374   9.463  -3.927
 2321   3HZ   LYS  12          3HZ       LYS  12  -8.678   9.449  -5.591
 2322    H    THR  13           H        THR  13  -9.317   1.614  -2.076
 2323    HA   THR  13           HA       THR  13 -10.114  -0.417  -3.956
 2324    HB   THR  13           HB       THR  13 -11.335  -0.559  -1.297
 2325    HG1  THR  13           HG1      THR  13  -8.586  -0.071  -1.610
 2326   1HG2  THR  13          1HG2      THR  13 -10.946  -2.361  -3.137
 2327   2HG2  THR  13          2HG2      THR  13  -9.331  -2.466  -2.435
 2328   3HG2  THR  13          3HG2      THR  13 -10.750  -2.794  -1.439
 2329    H    HIS  14           H        HIS  14 -12.593  -1.185  -2.830
 2330    HA   HIS  14           HA       HIS  14 -14.388   0.233  -4.427
 2331   1HB   HIS  14          1HB       HIS  14 -14.464  -2.039  -2.740
 2332   2HB   HIS  14          2HB       HIS  14 -15.779  -0.986  -2.230
 2333    HD1  HIS  14           HD1      HIS  14 -15.399  -3.753  -4.247
 2334    HD2  HIS  14           HD2      HIS  14 -17.087  -0.017  -4.929
 2335    HE1  HIS  14           HE1      HIS  14 -16.967  -4.068  -6.188
 2336    HE2  HIS  14           HE2      HIS  14 -17.979  -1.795  -6.583
 2337    H    ASN  15           H        ASN  15 -13.992   0.339  -0.887
 2338    HA   ASN  15           HA       ASN  15 -15.882   2.390  -0.461
 2339   1HB   ASN  15          1HB       ASN  15 -13.554   1.928   1.342
 2340   2HB   ASN  15          2HB       ASN  15 -15.190   2.397   1.765
 2341   2HD2  ASN  15          2HD2      ASN  15 -13.464   0.173   2.688
 2342   1HD2  ASN  15          1HD2      ASN  15 -14.399  -1.258   2.436
 2343    H    GLY  16           H        GLY  16 -12.833   2.472  -1.854
 2344   1HA   GLY  16          1HA       GLY  16 -11.839   4.347  -2.843
 2345   2HA   GLY  16          2HA       GLY  16 -12.848   5.385  -1.849
 2346    H    LYS  17           H        LYS  17 -11.241   2.846  -0.201
 2347    HA   LYS  17           HA       LYS  17  -9.626   4.754   1.242
 2348   1HB   LYS  17          1HB       LYS  17 -10.744   2.763   2.322
 2349   2HB   LYS  17          2HB       LYS  17  -9.044   2.961   2.707
 2350   1HG   LYS  17          1HG       LYS  17  -9.280   1.289   0.411
 2351   2HG   LYS  17          2HG       LYS  17  -8.621   0.920   2.005
 2352   1HD   LYS  17          1HD       LYS  17 -11.153   0.749   2.662
 2353   2HD   LYS  17          2HD       LYS  17 -11.362   0.460   0.933
 2354   1HE   LYS  17          1HE       LYS  17  -9.237  -1.162   1.592
 2355   2HE   LYS  17          2HE       LYS  17 -10.286  -1.282   3.003
 2356   1HZ   LYS  17          1HZ       LYS  17 -11.834  -1.454   0.652
 2357   2HZ   LYS  17          2HZ       LYS  17 -10.572  -2.578   0.569
 2358   3HZ   LYS  17          3HZ       LYS  17 -11.640  -2.602   1.880
 2359    H    THR  18           H        THR  18  -7.621   5.329   0.718
 2360    HA   THR  18           HA       THR  18  -6.343   4.261  -1.598
 2361    HB   THR  18           HB       THR  18  -4.783   5.854   0.385
 2362    HG1  THR  18           HG1      THR  18  -7.208   6.610  -0.683
 2363   1HG2  THR  18          1HG2      THR  18  -5.099   5.944  -2.616
 2364   2HG2  THR  18          2HG2      THR  18  -4.023   6.979  -1.677
 2365   3HG2  THR  18          3HG2      THR  18  -3.752   5.238  -1.722
 2366    H    TYR  19           H        TYR  19  -6.325   2.016  -0.937
 2367    HA   TYR  19           HA       TYR  19  -4.690   1.233   1.286
 2368   1HB   TYR  19          1HB       TYR  19  -5.585  -0.857   1.032
 2369   2HB   TYR  19          2HB       TYR  19  -6.830   0.084   0.217
 2370    HD1  TYR  19           HD1      TYR  19  -6.922   0.110  -2.271
 2371    HD2  TYR  19           HD2      TYR  19  -4.275  -2.457  -0.148
 2372    HE1  TYR  19           HE1      TYR  19  -6.642  -1.262  -4.291
 2373    HE2  TYR  19           HE2      TYR  19  -3.988  -3.836  -2.163
 2374    HH   TYR  19           HH       TYR  19  -5.977  -3.808  -4.710
 2375    H    TYR  20           H        TYR  20  -2.755   0.231   1.278
 2376    HA   TYR  20           HA       TYR  20  -1.209   0.363  -1.218
 2377   1HB   TYR  20          1HB       TYR  20  -0.124   0.322   1.604
 2378   2HB   TYR  20          2HB       TYR  20   0.765   0.672   0.125
 2379    HD1  TYR  20           HD1      TYR  20  -1.731   1.972   2.505
 2380    HD2  TYR  20           HD2      TYR  20   0.715   2.853  -0.861
 2381    HE1  TYR  20           HE1      TYR  20  -2.200   4.368   2.797
 2382    HE2  TYR  20           HE2      TYR  20   0.253   5.251  -0.578
 2383    HH   TYR  20           HH       TYR  20  -1.523   6.675   0.445
 2384    H    TYR  21           H        TYR  21  -0.163  -1.468  -1.939
 2385    HA   TYR  21           HA       TYR  21  -0.568  -3.893  -0.312
 2386   1HB   TYR  21          1HB       TYR  21  -2.115  -3.825  -2.208
 2387   2HB   TYR  21          2HB       TYR  21  -0.765  -3.635  -3.320
 2388    HD1  TYR  21           HD1      TYR  21   0.091  -5.520  -4.354
 2389    HD2  TYR  21           HD2      TYR  21  -2.005  -5.970  -0.679
 2390    HE1  TYR  21           HE1      TYR  21   0.272  -7.963  -4.558
 2391    HE2  TYR  21           HE2      TYR  21  -1.831  -8.416  -0.873
 2392    HH   TYR  21           HH       TYR  21  -0.963  -9.979  -3.711
 2393    H    ASN  22           H        ASN  22   0.988  -5.430  -0.258
 2394    HA   ASN  22           HA       ASN  22   3.592  -4.742  -1.457
 2395   1HB   ASN  22          1HB       ASN  22   3.439  -4.785   1.064
 2396   2HB   ASN  22          2HB       ASN  22   3.080  -6.503   0.953
 2397   2HD2  ASN  22          2HD2      ASN  22   5.228  -5.511   2.375
 2398   1HD2  ASN  22          1HD2      ASN  22   6.692  -6.011   1.607
 2399    H    HIS  23           H        HIS  23   4.105  -5.990  -3.140
 2400    HA   HIS  23           HA       HIS  23   2.744  -8.520  -3.528
 2401   1HB   HIS  23          1HB       HIS  23   2.868  -7.992  -5.688
 2402   2HB   HIS  23          2HB       HIS  23   4.624  -7.953  -5.619
 2403    HD1  HIS  23           HD1      HIS  23   1.906  -5.579  -4.400
 2404    HD2  HIS  23           HD2      HIS  23   5.461  -5.567  -6.550
 2405    HE1  HIS  23           HE1      HIS  23   2.305  -3.182  -5.020
 2406    HE2  HIS  23           HE2      HIS  23   4.462  -3.191  -6.323
 2407    H    ASN  24           H        ASN  24   5.198  -7.967  -1.665
 2408    HA   ASN  24           HA       ASN  24   6.873 -10.160  -2.694
 2409   1HB   ASN  24          1HB       ASN  24   7.606  -8.079  -0.623
 2410   2HB   ASN  24          2HB       ASN  24   8.678  -9.296  -1.307
 2411   2HD2  ASN  24          2HD2      ASN  24   8.834  -6.363  -1.288
 2412   1HD2  ASN  24          1HD2      ASN  24   8.984  -5.898  -2.944
 2413    H    THR  25           H        THR  25   4.939  -9.029  -0.056
 2414    HA   THR  25           HA       THR  25   5.199 -11.662   1.213
 2415    HB   THR  25           HB       THR  25   5.311 -10.767   3.408
 2416    HG1  THR  25           HG1      THR  25   4.297  -8.532   2.196
 2417   1HG2  THR  25          1HG2      THR  25   7.176  -9.439   1.470
 2418   2HG2  THR  25          2HG2      THR  25   7.305  -9.131   3.204
 2419   3HG2  THR  25          3HG2      THR  25   7.490 -10.772   2.583
 2420    H    LYS  26           H        LYS  26   3.251 -10.034  -0.523
 2421    HA   LYS  26           HA       LYS  26   1.019  -9.638  -0.710
 2422   1HB   LYS  26          1HB       LYS  26   0.542 -11.938   1.146
 2423   2HB   LYS  26          2HB       LYS  26  -0.275 -11.532  -0.358
 2424   1HG   LYS  26          1HG       LYS  26   2.555 -12.550  -0.169
 2425   2HG   LYS  26          2HG       LYS  26   1.142 -13.552  -0.516
 2426   1HD   LYS  26          1HD       LYS  26   1.450 -11.162  -2.210
 2427   2HD   LYS  26          2HD       LYS  26   2.695 -12.398  -2.409
 2428   1HE   LYS  26          1HE       LYS  26   0.033 -13.530  -2.269
 2429   2HE   LYS  26          2HE       LYS  26   0.191 -12.372  -3.588
 2430   1HZ   LYS  26          1HZ       LYS  26   2.474 -13.942  -3.632
 2431   2HZ   LYS  26          2HZ       LYS  26   1.179 -15.012  -3.427
 2432   3HZ   LYS  26          3HZ       LYS  26   1.199 -13.951  -4.743
 2433    H    THR  27           H        THR  27   1.422  -7.676   0.640
 2434    HA   THR  27           HA       THR  27  -0.030  -7.860   3.207
 2435    HB   THR  27           HB       THR  27   1.968  -5.715   2.522
 2436    HG1  THR  27           HG1      THR  27   2.334  -8.255   3.730
 2437   1HG2  THR  27          1HG2      THR  27   0.086  -5.849   4.509
 2438   2HG2  THR  27          2HG2      THR  27   1.526  -6.486   5.306
 2439   3HG2  THR  27          3HG2      THR  27   1.563  -4.886   4.564
 2440    H    SER  28           H        SER  28  -2.034  -7.119   2.966
 2441    HA   SER  28           HA       SER  28  -2.477  -4.782   1.235
 2442   1HB   SER  28          1HB       SER  28  -4.910  -5.514   1.350
 2443   2HB   SER  28          2HB       SER  28  -3.823  -6.601   0.487
 2444    HG   SER  28           HG       SER  28  -5.346  -7.529   2.110
 2445    H    THR  29           H        THR  29  -2.479  -2.955   2.344
 2446    HA   THR  29           HA       THR  29  -4.089  -2.781   4.794
 2447    HB   THR  29           HB       THR  29  -1.578  -3.006   5.279
 2448    HG1  THR  29           HG1      THR  29  -1.754  -1.302   6.886
 2449   1HG2  THR  29          1HG2      THR  29  -1.396  -0.959   3.406
 2450   2HG2  THR  29          2HG2      THR  29  -1.116  -0.168   4.956
 2451   3HG2  THR  29          3HG2      THR  29  -0.112  -1.534   4.471
 2452    H    TRP  30           H        TRP  30  -4.114  -0.266   5.437
 2453    HA   TRP  30           HA       TRP  30  -4.613   1.225   2.944
 2454   1HB   TRP  30          1HB       TRP  30  -6.675   1.750   3.621
 2455   2HB   TRP  30          2HB       TRP  30  -6.049   2.390   5.135
 2456    HD1  TRP  30           HD1      TRP  30  -6.916   1.239   7.220
 2457    HE1  TRP  30           HE1      TRP  30  -8.021  -1.023   7.768
 2458    HE3  TRP  30           HE3      TRP  30  -6.630  -0.934   2.608
 2459    HZ2  TRP  30           HZ2      TRP  30  -8.685  -3.413   6.416
 2460    HZ3  TRP  30           HZ3      TRP  30  -7.520  -3.211   2.317
 2461    HH2  TRP  30           HH2      TRP  30  -8.529  -4.421   4.181
 2462    H    THR  31           H        THR  31  -2.750   0.999   5.697
 2463    HA   THR  31           HA       THR  31  -2.247   3.854   5.979
 2464    HB   THR  31           HB       THR  31  -0.645   1.721   7.352
 2465    HG1  THR  31           HG1      THR  31  -3.284   1.955   7.528
 2466   1HG2  THR  31          1HG2      THR  31  -1.388   4.574   7.917
 2467   2HG2  THR  31          2HG2      THR  31  -0.786   3.506   9.185
 2468   3HG2  THR  31          3HG2      THR  31   0.218   3.858   7.778
 2469    H    ASP  32           H        ASP  32  -0.294   4.847   5.536
 2470    HA   ASP  32           HA       ASP  32   1.014   4.112   3.200
 2471   1HB   ASP  32          1HB       ASP  32   0.966   6.361   4.654
 2472   2HB   ASP  32          2HB       ASP  32   2.535   5.747   5.164
 2473    HA   PRO  33           HA       PRO  33   3.644   0.799   4.606
 2474   1HB   PRO  33          1HB       PRO  33   5.310   0.794   2.408
 2475   2HB   PRO  33          2HB       PRO  33   3.755  -0.034   2.493
 2476   1HG   PRO  33          1HG       PRO  33   4.442   2.594   1.263
 2477   2HG   PRO  33          2HG       PRO  33   3.332   1.339   0.688
 2478   1HD   PRO  33          1HD       PRO  33   2.462   3.594   1.884
 2479   2HD   PRO  33          2HD       PRO  33   1.622   2.040   2.062
 2480    H    ARG  34           H        ARG  34   4.784   3.907   3.538
 2481    HA   ARG  34           HA       ARG  34   7.443   3.574   4.591
 2482   1HB   ARG  34          1HB       ARG  34   5.958   6.035   3.656
 2483   2HB   ARG  34          2HB       ARG  34   7.656   6.009   4.109
 2484   1HG   ARG  34          1HG       ARG  34   7.280   3.967   2.209
 2485   2HG   ARG  34          2HG       ARG  34   6.446   5.399   1.603
 2486   1HD   ARG  34          1HD       ARG  34   9.255   5.511   2.669
 2487   2HD   ARG  34          2HD       ARG  34   8.906   5.131   0.983
 2488    HE   ARG  34           HE       ARG  34   7.764   7.342   0.901
 2489   1HH1  ARG  34          1HH1      ARG  34  10.222   6.718   3.294
 2490   2HH1  ARG  34          2HH1      ARG  34  10.650   8.386   3.476
 2491   1HH2  ARG  34          1HH2      ARG  34   8.322   9.539   1.136
 2492   2HH2  ARG  34          2HH2      ARG  34   9.569   9.989   2.249
 2493    H    MET  35           H        MET  35   4.366   4.582   5.750
 2494    HA   MET  35           HA       MET  35   5.253   6.129   7.965
 2495   1HB   MET  35          1HB       MET  35   2.683   5.011   7.023
 2496   2HB   MET  35          2HB       MET  35   2.806   5.448   8.723
 2497   1HG   MET  35          1HG       MET  35   2.036   7.158   6.882
 2498   2HG   MET  35          2HG       MET  35   2.950   7.649   8.301
 2499   1HE   MET  35          1HE       MET  35   3.162   9.813   6.847
 2500   2HE   MET  35          2HE       MET  35   4.328  10.016   5.539
 2501   3HE   MET  35          3HE       MET  35   2.767   9.263   5.218
 2502    H    SER  36           H        SER  36   3.783   5.121  10.098
 2503    HA   SER  36           HA       SER  36   5.556   3.029  11.010
 2504   1HB   SER  36          1HB       SER  36   4.239   3.318  13.171
 2505   2HB   SER  36          2HB       SER  36   5.113   4.743  12.608
 2506    HG   SER  36           HG       SER  36   2.451   4.389  12.972
 2507    H    SER  37           H        SER  37   5.090   1.067  10.194
 2508    HA   SER  37           HA       SER  37   2.668  -0.223  11.053
 2509   1HB   SER  37          1HB       SER  37   2.703   0.945   8.472
 2510   2HB   SER  37          2HB       SER  37   2.831  -0.799   8.244
 2511    HG   SER  37           HG       SER  37   1.006  -0.837   9.849

  No H/Q in entry =        2511
  Start of MODEL    1
    1    H1   SER   1           H1       SER   1   8.945  11.504  -7.724
    2    H2   SER   1           H2       SER   1   8.969  11.653  -9.408
    3    H3   SER   1           H3       SER   1   7.530  11.249  -8.615
    4    HA   SER   1           HA       SER   1   8.026   9.151  -9.086
    5   1HB   SER   1          1HB       SER   1  10.133   8.486 -10.023
    6   2HB   SER   1          2HB       SER   1   9.786  10.100 -10.644
    7    HG   SER   1           HG       SER   1  11.089  10.620  -8.528
    8    H    MET   2           H        MET   2   9.450   7.269  -8.197
    9    HA   MET   2           HA       MET   2  10.090   6.043  -6.397
   10   1HB   MET   2          1HB       MET   2  11.339   8.701  -5.804
   11   2HB   MET   2          2HB       MET   2  11.424   7.413  -4.611
   12   1HG   MET   2          1HG       MET   2  12.359   7.125  -7.453
   13   2HG   MET   2          2HG       MET   2  13.403   7.592  -6.111
   14   1HE   MET   2          1HE       MET   2  14.955   6.065  -6.577
   15   2HE   MET   2          2HE       MET   2  15.017   4.533  -5.705
   16   3HE   MET   2          3HE       MET   2  14.547   4.562  -7.405
   17    H    GLY   3           H        GLY   3   9.980   6.006  -3.858
   18   1HA   GLY   3          1HA       GLY   3   8.533   7.401  -2.155
   19   2HA   GLY   3          2HA       GLY   3   7.245   6.820  -3.204
   20    H    LEU   4           H        LEU   4   6.361   4.904  -2.763
   21    HA   LEU   4           HA       LEU   4   7.041   3.487  -0.415
   22   1HB   LEU   4          1HB       LEU   4   5.479   2.164  -2.567
   23   2HB   LEU   4          2HB       LEU   4   5.182   2.204  -0.840
   24    HG   LEU   4           HG       LEU   4   4.853   4.749  -2.340
   25   1HD1  LEU   4          1HD1      LEU   4   3.443   2.300  -3.006
   26   2HD1  LEU   4          2HD1      LEU   4   2.359   3.596  -2.504
   27   3HD1  LEU   4          3HD1      LEU   4   3.477   3.851  -3.844
   28   1HD2  LEU   4          1HD2      LEU   4   4.487   4.184   0.201
   29   2HD2  LEU   4          2HD2      LEU   4   3.409   5.288  -0.652
   30   3HD2  LEU   4          3HD2      LEU   4   2.923   3.614  -0.383
   31    HA   PRO   5           HA       PRO   5  10.180   0.569  -1.490
   32   1HB   PRO   5          1HB       PRO   5   9.907  -1.332  -0.207
   33   2HB   PRO   5          2HB       PRO   5   8.220  -1.545  -0.693
   34   1HG   PRO   5          1HG       PRO   5   7.943  -0.658   1.444
   35   2HG   PRO   5          2HG       PRO   5   9.395   0.349   1.310
   36   1HD   PRO   5          1HD       PRO   5   7.851   1.983   0.832
   37   2HD   PRO   5          2HD       PRO   5   6.655   0.817   0.234
   38    HA   PRO   6           HA       PRO   6   9.476  -0.993  -5.548
   39   1HB   PRO   6          1HB       PRO   6  10.791  -3.413  -5.504
   40   2HB   PRO   6          2HB       PRO   6  11.578  -1.845  -5.704
   41   1HG   PRO   6          1HG       PRO   6  12.676  -2.594  -3.801
   42   2HG   PRO   6          2HG       PRO   6  11.266  -3.510  -3.238
   43   1HD   PRO   6          1HD       PRO   6  11.088  -1.653  -1.860
   44   2HD   PRO   6          2HD       PRO   6  11.808  -0.569  -3.069
   45    H    GLY   7           H        GLY   7   8.079  -2.479  -2.902
   46   1HA   GLY   7          1HA       GLY   7   6.531  -4.271  -4.670
   47   2HA   GLY   7          2HA       GLY   7   6.986  -4.732  -3.037
   48    H    TRP   8           H        TRP   8   6.410  -1.638  -2.577
   49    HA   TRP   8           HA       TRP   8   3.628  -2.124  -1.820
   50   1HB   TRP   8          1HB       TRP   8   5.761  -0.226  -0.893
   51   2HB   TRP   8          2HB       TRP   8   4.070   0.131  -0.557
   52    HD1  TRP   8           HD1      TRP   8   6.943  -1.942   0.650
   53    HE1  TRP   8           HE1      TRP   8   6.206  -3.351   2.663
   54    HE3  TRP   8           HE3      TRP   8   1.900  -1.174   0.363
   55    HZ2  TRP   8           HZ2      TRP   8   3.793  -4.051   3.969
   56    HZ3  TRP   8           HZ3      TRP   8   0.448  -2.249   2.035
   57    HH2  TRP   8           HH2      TRP   8   1.380  -3.651   3.798
   58    H    ASP   9           H        ASP   9   2.011  -1.300  -2.963
   59    HA   ASP   9           HA       ASP   9   2.482   1.161  -4.515
   60   1HB   ASP   9          1HB       ASP   9   1.380  -1.455  -5.409
   61   2HB   ASP   9          2HB       ASP   9   0.632   0.002  -6.058
   62    H    GLU  10           H        GLU  10   0.576   2.468  -4.899
   63    HA   GLU  10           HA       GLU  10  -1.404   2.126  -2.752
   64   1HB   GLU  10          1HB       GLU  10  -1.754   4.680  -3.769
   65   2HB   GLU  10          2HB       GLU  10  -0.884   4.256  -2.303
   66   1HG   GLU  10          1HG       GLU  10   1.142   3.949  -3.871
   67   2HG   GLU  10          2HG       GLU  10   0.189   4.887  -5.020
   68    H    TYR  11           H        TYR  11  -3.568   2.170  -3.126
   69    HA   TYR  11           HA       TYR  11  -4.679   2.886  -5.665
   70   1HB   TYR  11          1HB       TYR  11  -4.074   0.084  -5.082
   71   2HB   TYR  11          2HB       TYR  11  -5.770   0.354  -5.474
   72    HD1  TYR  11           HD1      TYR  11  -6.204   1.809  -7.619
   73    HD2  TYR  11           HD2      TYR  11  -2.567  -0.246  -6.810
   74    HE1  TYR  11           HE1      TYR  11  -5.650   1.860 -10.013
   75    HE2  TYR  11           HE2      TYR  11  -2.003  -0.202  -9.203
   76    HH   TYR  11           HH       TYR  11  -3.878   0.102 -11.530
   77    H    LYS  12           H        LYS  12  -6.902   3.148  -5.605
   78    HA   LYS  12           HA       LYS  12  -7.989   3.261  -2.902
   79   1HB   LYS  12          1HB       LYS  12  -8.695   4.597  -5.467
   80   2HB   LYS  12          2HB       LYS  12  -9.789   4.639  -4.100
   81   1HG   LYS  12          1HG       LYS  12  -7.417   5.347  -3.024
   82   2HG   LYS  12          2HG       LYS  12  -7.296   6.046  -4.621
   83   1HD   LYS  12          1HD       LYS  12  -9.894   6.582  -3.632
   84   2HD   LYS  12          2HD       LYS  12  -8.725   7.022  -2.379
   85   1HE   LYS  12          1HE       LYS  12  -7.712   7.783  -4.902
   86   2HE   LYS  12          2HE       LYS  12  -9.356   8.413  -4.759
   87   1HZ   LYS  12          1HZ       LYS  12  -7.267   8.795  -2.686
   88   2HZ   LYS  12          2HZ       LYS  12  -7.584   9.923  -3.907
   89   3HZ   LYS  12          3HZ       LYS  12  -8.779   9.549  -2.768
   90    H    THR  13           H        THR  13  -9.231   1.648  -2.227
   91    HA   THR  13           HA       THR  13 -10.265  -0.344  -3.953
   92    HB   THR  13           HB       THR  13 -11.509  -0.106  -1.288
   93    HG1  THR  13           HG1      THR  13  -9.212  -1.044  -0.656
   94   1HG2  THR  13          1HG2      THR  13 -10.649  -2.145  -3.165
   95   2HG2  THR  13          2HG2      THR  13 -10.121  -2.495  -1.520
   96   3HG2  THR  13          3HG2      THR  13 -11.833  -2.242  -1.861
   97    H    HIS  14           H        HIS  14 -12.797  -0.909  -3.033
   98    HA   HIS  14           HA       HIS  14 -14.437   0.458  -4.764
   99   1HB   HIS  14          1HB       HIS  14 -15.248  -0.910  -2.189
  100   2HB   HIS  14          2HB       HIS  14 -16.328  -0.514  -3.523
  101    HD1  HIS  14           HD1      HIS  14 -15.922  -1.849  -5.783
  102    HD2  HIS  14           HD2      HIS  14 -13.872  -3.273  -2.460
  103    HE1  HIS  14           HE1      HIS  14 -15.160  -4.165  -6.402
  104    HE2  HIS  14           HE2      HIS  14 -13.921  -5.008  -4.378
  105    H    ASN  15           H        ASN  15 -14.539   0.858  -1.211
  106    HA   ASN  15           HA       ASN  15 -16.208   3.091  -1.212
  107   1HB   ASN  15          1HB       ASN  15 -15.193   3.545   1.072
  108   2HB   ASN  15          2HB       ASN  15 -15.887   1.943   0.844
  109   2HD2  ASN  15          2HD2      ASN  15 -14.628   0.186   1.040
  110   1HD2  ASN  15          1HD2      ASN  15 -12.942   0.232   1.414
  111    H    GLY  16           H        GLY  16 -12.734   2.836  -1.625
  112   1HA   GLY  16          1HA       GLY  16 -11.722   4.581  -3.031
  113   2HA   GLY  16          2HA       GLY  16 -12.673   5.748  -2.119
  114    H    LYS  17           H        LYS  17 -11.108   3.093  -0.481
  115    HA   LYS  17           HA       LYS  17  -9.468   4.997   0.975
  116   1HB   LYS  17          1HB       LYS  17 -10.673   3.061   2.097
  117   2HB   LYS  17          2HB       LYS  17  -8.976   3.251   2.509
  118   1HG   LYS  17          1HG       LYS  17  -9.253   1.485   0.265
  119   2HG   LYS  17          2HG       LYS  17  -8.533   1.194   1.849
  120   1HD   LYS  17          1HD       LYS  17 -10.963   0.969   2.670
  121   2HD   LYS  17          2HD       LYS  17 -11.365   0.774   0.963
  122   1HE   LYS  17          1HE       LYS  17  -9.296  -0.950   1.194
  123   2HE   LYS  17          2HE       LYS  17  -9.993  -1.060   2.810
  124   1HZ   LYS  17          1HZ       LYS  17 -11.676  -1.294   0.393
  125   2HZ   LYS  17          2HZ       LYS  17 -10.866  -2.635   1.031
  126   3HZ   LYS  17          3HZ       LYS  17 -12.012  -1.813   1.967
  127    H    THR  18           H        THR  18  -7.429   5.462   0.477
  128    HA   THR  18           HA       THR  18  -6.174   4.251  -1.797
  129    HB   THR  18           HB       THR  18  -4.603   5.941   0.097
  130    HG1  THR  18           HG1      THR  18  -6.397   7.145  -1.730
  131   1HG2  THR  18          1HG2      THR  18  -4.459   5.087  -2.640
  132   2HG2  THR  18          2HG2      THR  18  -4.482   6.849  -2.563
  133   3HG2  THR  18          3HG2      THR  18  -3.254   5.943  -1.677
  134    H    TYR  19           H        TYR  19  -6.310   2.058  -0.878
  135    HA   TYR  19           HA       TYR  19  -4.639   1.401   1.347
  136   1HB   TYR  19          1HB       TYR  19  -5.566  -0.704   1.250
  137   2HB   TYR  19          2HB       TYR  19  -6.829   0.235   0.464
  138    HD1  TYR  19           HD1      TYR  19  -7.122   0.109  -1.987
  139    HD2  TYR  19           HD2      TYR  19  -4.308  -2.351   0.043
  140    HE1  TYR  19           HE1      TYR  19  -6.988  -1.353  -3.959
  141    HE2  TYR  19           HE2      TYR  19  -4.165  -3.820  -1.924
  142    HH   TYR  19           HH       TYR  19  -4.619  -3.898  -4.202
  143    H    TYR  20           H        TYR  20  -2.679   0.509   1.392
  144    HA   TYR  20           HA       TYR  20  -1.189   0.406  -1.131
  145   1HB   TYR  20          1HB       TYR  20   0.820   0.645   0.220
  146   2HB   TYR  20          2HB       TYR  20  -0.120   0.486   1.700
  147    HD1  TYR  20           HD1      TYR  20  -1.672   2.316   2.377
  148    HD2  TYR  20           HD2      TYR  20   1.003   2.732  -0.906
  149    HE1  TYR  20           HE1      TYR  20  -1.962   4.757   2.458
  150    HE2  TYR  20           HE2      TYR  20   0.719   5.175  -0.835
  151    HH   TYR  20           HH       TYR  20  -1.420   6.750   0.180
  152    H    TYR  21           H        TYR  21  -0.221  -1.468  -1.798
  153    HA   TYR  21           HA       TYR  21  -0.560  -3.821  -0.062
  154   1HB   TYR  21          1HB       TYR  21  -2.287  -3.856  -1.782
  155   2HB   TYR  21          2HB       TYR  21  -1.072  -3.649  -3.040
  156    HD1  TYR  21           HD1      TYR  21  -0.647  -5.545  -4.264
  157    HD2  TYR  21           HD2      TYR  21  -1.590  -5.959  -0.136
  158    HE1  TYR  21           HE1      TYR  21  -0.427  -7.985  -4.465
  159    HE2  TYR  21           HE2      TYR  21  -1.372  -8.400  -0.325
  160    HH   TYR  21           HH       TYR  21  -1.461 -10.048  -3.080
  161    H    ASN  22           H        ASN  22   1.007  -5.362  -0.092
  162    HA   ASN  22           HA       ASN  22   3.474  -4.697  -1.557
  163   1HB   ASN  22          1HB       ASN  22   3.513  -4.709   0.992
  164   2HB   ASN  22          2HB       ASN  22   3.270  -6.450   0.895
  165   2HD2  ASN  22          2HD2      ASN  22   5.274  -4.119  -0.878
  166   1HD2  ASN  22          1HD2      ASN  22   6.761  -4.966  -0.650
  167    H    HIS  23           H        HIS  23   3.838  -5.971  -3.250
  168    HA   HIS  23           HA       HIS  23   2.525  -8.547  -3.446
  169   1HB   HIS  23          1HB       HIS  23   2.521  -8.146  -5.641
  170   2HB   HIS  23          2HB       HIS  23   4.266  -7.944  -5.671
  171    HD1  HIS  23           HD1      HIS  23   1.403  -5.778  -4.390
  172    HD2  HIS  23           HD2      HIS  23   4.826  -5.532  -6.731
  173    HE1  HIS  23           HE1      HIS  23   1.543  -3.379  -5.122
  174    HE2  HIS  23           HE2      HIS  23   3.622  -3.250  -6.539
  175    H    ASN  24           H        ASN  24   5.275  -7.625  -2.010
  176    HA   ASN  24           HA       ASN  24   6.895  -9.863  -2.989
  177   1HB   ASN  24          1HB       ASN  24   8.740  -8.847  -1.744
  178   2HB   ASN  24          2HB       ASN  24   7.645  -7.644  -1.070
  179   2HD2  ASN  24          2HD2      ASN  24   8.933  -5.998  -1.932
  180   1HD2  ASN  24          1HD2      ASN  24   8.882  -5.598  -3.610
  181    H    THR  25           H        THR  25   5.032  -8.791  -0.282
  182    HA   THR  25           HA       THR  25   5.632 -11.314   1.097
  183    HB   THR  25           HB       THR  25   5.779 -10.305   3.227
  184    HG1  THR  25           HG1      THR  25   4.547  -8.625   3.559
  185   1HG2  THR  25          1HG2      THR  25   7.373  -9.025   1.083
  186   2HG2  THR  25          2HG2      THR  25   7.428  -8.271   2.677
  187   3HG2  THR  25          3HG2      THR  25   7.900  -9.959   2.484
  188    H    LYS  26           H        LYS  26   3.398  -9.826  -0.541
  189    HA   LYS  26           HA       LYS  26   1.130  -9.702  -0.587
  190   1HB   LYS  26          1HB       LYS  26   1.132 -12.058   1.285
  191   2HB   LYS  26          2HB       LYS  26   0.004 -11.693  -0.014
  192   1HG   LYS  26          1HG       LYS  26   2.878 -12.535  -0.336
  193   2HG   LYS  26          2HG       LYS  26   1.453 -13.534  -0.629
  194   1HD   LYS  26          1HD       LYS  26   0.940 -11.349  -2.183
  195   2HD   LYS  26          2HD       LYS  26   2.694 -11.482  -2.311
  196   1HE   LYS  26          1HE       LYS  26   2.477 -13.160  -3.742
  197   2HE   LYS  26          2HE       LYS  26   1.585 -14.081  -2.533
  198   1HZ   LYS  26          1HZ       LYS  26   0.212 -12.015  -4.120
  199   2HZ   LYS  26          2HZ       LYS  26   0.474 -13.551  -4.778
  200   3HZ   LYS  26          3HZ       LYS  26  -0.434 -13.383  -3.361
  201    H    THR  27           H        THR  27   1.399  -7.696   0.724
  202    HA   THR  27           HA       THR  27  -0.019  -7.998   3.295
  203    HB   THR  27           HB       THR  27   2.107  -5.920   2.786
  204    HG1  THR  27           HG1      THR  27   3.499  -7.241   3.892
  205   1HG2  THR  27          1HG2      THR  27   0.379  -6.674   5.103
  206   2HG2  THR  27          2HG2      THR  27   1.981  -5.998   5.396
  207   3HG2  THR  27          3HG2      THR  27   0.787  -5.075   4.481
  208    H    SER  28           H        SER  28  -2.004  -7.226   2.939
  209    HA   SER  28           HA       SER  28  -2.306  -4.792   1.324
  210   1HB   SER  28          1HB       SER  28  -4.816  -5.514   1.506
  211   2HB   SER  28          2HB       SER  28  -3.742  -6.381   0.408
  212    HG   SER  28           HG       SER  28  -5.067  -7.725   1.806
  213    H    THR  29           H        THR  29  -2.771  -2.927   2.260
  214    HA   THR  29           HA       THR  29  -4.392  -2.771   4.647
  215    HB   THR  29           HB       THR  29  -2.017  -3.167   5.466
  216    HG1  THR  29           HG1      THR  29  -3.906  -1.650   6.383
  217   1HG2  THR  29          1HG2      THR  29  -1.010  -1.669   3.684
  218   2HG2  THR  29          2HG2      THR  29  -1.569  -0.305   4.652
  219   3HG2  THR  29          3HG2      THR  29  -0.405  -1.446   5.325
  220    H    TRP  30           H        TRP  30  -4.488  -0.311   5.339
  221    HA   TRP  30           HA       TRP  30  -4.666   1.237   2.841
  222   1HB   TRP  30          1HB       TRP  30  -6.078   2.573   4.915
  223   2HB   TRP  30          2HB       TRP  30  -6.727   1.830   3.457
  224    HD1  TRP  30           HD1      TRP  30  -6.981   1.621   7.098
  225    HE1  TRP  30           HE1      TRP  30  -8.181  -0.541   7.816
  226    HE3  TRP  30           HE3      TRP  30  -6.804  -0.896   2.666
  227    HZ2  TRP  30           HZ2      TRP  30  -8.954  -2.996   6.646
  228    HZ3  TRP  30           HZ3      TRP  30  -7.793  -3.148   2.541
  229    HH2  TRP  30           HH2      TRP  30  -8.848  -4.173   4.493
  230    H    THR  31           H        THR  31  -2.970   0.933   5.724
  231    HA   THR  31           HA       THR  31  -2.297   3.716   6.078
  232    HB   THR  31           HB       THR  31  -0.726   1.447   7.260
  233    HG1  THR  31           HG1      THR  31  -2.396   1.757   9.036
  234   1HG2  THR  31          1HG2      THR  31  -0.348   4.077   7.481
  235   2HG2  THR  31          2HG2      THR  31  -1.540   3.870   8.764
  236   3HG2  THR  31          3HG2      THR  31  -0.028   2.963   8.810
  237    H    ASP  32           H        ASP  32  -0.308   4.678   5.687
  238    HA   ASP  32           HA       ASP  32   0.960   3.974   3.278
  239   1HB   ASP  32          1HB       ASP  32   0.839   6.278   4.328
  240   2HB   ASP  32          2HB       ASP  32   2.127   5.763   5.414
  241    HA   PRO  33           HA       PRO  33   3.721   0.833   4.796
  242   1HB   PRO  33          1HB       PRO  33   5.275   0.608   2.573
  243   2HB   PRO  33          2HB       PRO  33   3.654  -0.080   2.696
  244   1HG   PRO  33          1HG       PRO  33   4.542   2.468   1.406
  245   2HG   PRO  33          2HG       PRO  33   3.389   1.256   0.819
  246   1HD   PRO  33          1HD       PRO  33   2.606   3.575   1.973
  247   2HD   PRO  33          2HD       PRO  33   1.676   2.070   2.121
  248    H    ARG  34           H        ARG  34   4.788   3.865   3.471
  249    HA   ARG  34           HA       ARG  34   7.511   3.670   4.279
  250   1HB   ARG  34          1HB       ARG  34   5.801   6.088   3.679
  251   2HB   ARG  34          2HB       ARG  34   7.545   6.122   3.897
  252   1HG   ARG  34          1HG       ARG  34   6.724   4.165   1.924
  253   2HG   ARG  34          2HG       ARG  34   6.196   5.799   1.521
  254   1HD   ARG  34          1HD       ARG  34   8.802   6.111   2.423
  255   2HD   ARG  34          2HD       ARG  34   8.252   6.167   0.748
  256    HE   ARG  34           HE       ARG  34   8.675   3.665   0.796
  257   1HH1  ARG  34          1HH1      ARG  34  10.458   5.938   2.746
  258   2HH1  ARG  34          2HH1      ARG  34  11.877   4.951   2.828
  259   1HH2  ARG  34          1HH2      ARG  34  10.543   2.360   0.898
  260   2HH2  ARG  34          2HH2      ARG  34  11.926   2.918   1.777
  261    H    MET  35           H        MET  35   4.555   4.632   5.825
  262    HA   MET  35           HA       MET  35   5.871   5.902   8.059
  263   1HB   MET  35          1HB       MET  35   3.004   5.266   7.404
  264   2HB   MET  35          2HB       MET  35   3.471   5.851   8.996
  265   1HG   MET  35          1HG       MET  35   4.075   7.916   8.223
  266   2HG   MET  35          2HG       MET  35   4.308   7.354   6.568
  267   1HE   MET  35          1HE       MET  35   1.891   7.680   9.405
  268   2HE   MET  35          2HE       MET  35   1.588   9.319   8.825
  269   3HE   MET  35          3HE       MET  35   0.332   8.088   8.689
  270    H    SER  36           H        SER  36   3.341   3.437   8.327
  271    HA   SER  36           HA       SER  36   5.121   1.915  10.112
  272   1HB   SER  36          1HB       SER  36   3.200   3.288  11.190
  273   2HB   SER  36          2HB       SER  36   2.147   2.033  10.535
  274    HG   SER  36           HG       SER  36   4.043   0.714  11.675
  275    H    SER  37           H        SER  37   1.834   1.361   8.883
  276    HA   SER  37           HA       SER  37   0.884  -0.394   7.798
  277   1HB   SER  37          1HB       SER  37   2.680   0.448   6.104
  278   2HB   SER  37          2HB       SER  37   3.533  -1.035   6.533
  279    HG   SER  37           HG       SER  37   0.922  -1.522   6.038

  No H/Q in entry =         279