*HEADER    PRION PROTEIN                           10-MAY-00   1E1S
*TITLE     HUMAN PRION PROTEIN VARIANT S170N
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PRION PROTEIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: GLOBULAR DOMAIN 125-228;
*COMPND   5 ENGINEERED: YES;
*COMPND   6 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI
*KEYWDS    PRION PROTEIN
*EXPDTA    NMR, 1 STRUCTURES
*AUTHOR    L.CALZOLAI,D.A.LYSEK,P.GUNTERT,C.VON SCHROETTER,R.ZAHN,
*AUTHOR   2 R.RIEK,K.WUTHRICH




  Entry H atom name         Submitted Coord H atom name
    1    H    LEU 125           H        LEU 125   4.196 -11.058  14.730
    2    HA   LEU 125           HA       LEU 125   4.017 -11.208  11.765
    3   1HB   LEU 125          1HB       LEU 125   4.566  -8.814  13.553
    4   2HB   LEU 125          2HB       LEU 125   5.093  -8.864  11.900
    5    HG   LEU 125           HG       LEU 125   2.207  -9.055  12.852
    6   1HD1  LEU 125          1HD1      LEU 125   3.386  -6.821  13.071
    7   2HD1  LEU 125          2HD1      LEU 125   3.609  -6.841  11.311
    8   3HD1  LEU 125          3HD1      LEU 125   1.976  -6.822  12.012
    9   1HD2  LEU 125          1HD2      LEU 125   3.394  -9.107  10.038
   10   2HD2  LEU 125          2HD2      LEU 125   2.281 -10.279  10.771
   11   3HD2  LEU 125          3HD2      LEU 125   1.723  -8.657  10.357
   12    H    GLY 126           H        GLY 126   6.429  -9.963  14.173
   13   1HA   GLY 126          1HA       GLY 126   8.494 -11.467  14.327
   14   2HA   GLY 126          2HA       GLY 126   8.501 -11.395  12.568
   15    H    GLY 127           H        GLY 127   9.652  -9.807  11.658
   16   1HA   GLY 127          1HA       GLY 127  10.507  -7.435  13.259
   17   2HA   GLY 127          2HA       GLY 127  11.486  -8.272  12.057
   18    H    TYR 128           H        TYR 128   8.044  -7.506  11.484
   19    HA   TYR 128           HA       TYR 128   8.841  -5.785   9.217
   20   1HB   TYR 128          1HB       TYR 128   6.121  -6.453  10.397
   21   2HB   TYR 128          2HB       TYR 128   6.378  -5.394   9.018
   22    HD1  TYR 128           HD1      TYR 128   7.743  -6.371   6.997
   23    HD2  TYR 128           HD2      TYR 128   5.703  -8.748   9.940
   24    HE1  TYR 128           HE1      TYR 128   7.738  -8.291   5.428
   25    HE2  TYR 128           HE2      TYR 128   5.594 -10.641   8.367
   26    HH   TYR 128           HH       TYR 128   7.385 -10.623   5.256
   27    H    MET 129           H        MET 129   7.869  -3.554   9.141
   28    HA   MET 129           HA       MET 129   7.339  -2.252  11.710
   29   1HB   MET 129          1HB       MET 129   8.630  -0.274  10.953
   30   2HB   MET 129          2HB       MET 129   9.663  -1.642  11.364
   31   1HG   MET 129          1HG       MET 129  10.265  -2.026   9.151
   32   2HG   MET 129          2HG       MET 129   8.834  -1.268   8.488
   33   1HE   MET 129          1HE       MET 129  11.958  -0.214  10.767
   34   2HE   MET 129          2HE       MET 129  12.097   1.496  10.308
   35   3HE   MET 129          3HE       MET 129  10.698   0.932  11.240
   36    H    LEU 130           H        LEU 130   6.318  -0.127  11.226
   37    HA   LEU 130           HA       LEU 130   4.612  -0.159   8.766
   38   1HB   LEU 130          1HB       LEU 130   3.487  -0.517  11.039
   39   2HB   LEU 130          2HB       LEU 130   4.111   1.048  11.538
   40    HG   LEU 130           HG       LEU 130   2.790   2.152   9.742
   41   1HD1  LEU 130          1HD1      LEU 130   2.292  -0.665   8.923
   42   2HD1  LEU 130          2HD1      LEU 130   0.873   0.379   8.871
   43   3HD1  LEU 130          3HD1      LEU 130   2.326   0.811   7.967
   44   1HD2  LEU 130          1HD2      LEU 130   1.871   1.879  11.993
   45   2HD2  LEU 130          2HD2      LEU 130   0.579   1.776  10.801
   46   3HD2  LEU 130          3HD2      LEU 130   1.196   0.294  11.548
   47    H    GLY 131           H        GLY 131   4.962   1.638   7.477
   48   1HA   GLY 131          1HA       GLY 131   7.031   3.551   8.300
   49   2HA   GLY 131          2HA       GLY 131   6.279   3.427   6.725
   50    H    SER 132           H        SER 132   6.378   5.815   7.018
   51    HA   SER 132           HA       SER 132   4.901   7.254   8.908
   52   1HB   SER 132          1HB       SER 132   6.572   8.004   6.963
   53   2HB   SER 132          2HB       SER 132   5.034   8.278   6.094
   54    HG   SER 132           HG       SER 132   4.465   9.798   7.526
   55    H    ALA 133           H        ALA 133   2.909   7.856   9.122
   56    HA   ALA 133           HA       ALA 133   0.688   6.457   7.962
   57   1HB   ALA 133          1HB       ALA 133  -0.550   7.784   9.625
   58   2HB   ALA 133          2HB       ALA 133   0.867   8.813   9.899
   59   3HB   ALA 133          3HB       ALA 133   0.924   7.119  10.367
   60    H    MET 134           H        MET 134   1.593   7.565   5.735
   61    HA   MET 134           HA       MET 134   1.247  10.341   5.516
   62   1HB   MET 134          1HB       MET 134   2.793   8.791   4.194
   63   2HB   MET 134          2HB       MET 134   2.142  10.203   3.388
   64   1HG   MET 134          1HG       MET 134   0.743   7.545   3.101
   65   2HG   MET 134          2HG       MET 134   0.631   8.974   2.085
   66   1HE   MET 134          1HE       MET 134   3.470   6.738   3.549
   67   2HE   MET 134          2HE       MET 134   2.419   5.597   2.692
   68   3HE   MET 134          3HE       MET 134   4.058   5.914   2.086
   69    H    SER 135           H        SER 135   0.148  11.130   3.271
   70    HA   SER 135           HA       SER 135  -2.731  10.961   3.676
   71   1HB   SER 135          1HB       SER 135  -2.756  12.507   1.703
   72   2HB   SER 135          2HB       SER 135  -1.831  13.076   3.092
   73    HG   SER 135           HG       SER 135   0.039  12.687   2.099
   74    H    ARG 136           H        ARG 136  -3.186  10.995   0.675
   75    HA   ARG 136           HA       ARG 136  -3.020   8.063   0.225
   76   1HB   ARG 136          1HB       ARG 136  -5.499   8.746  -0.774
   77   2HB   ARG 136          2HB       ARG 136  -5.140   7.857   0.680
   78   1HG   ARG 136          1HG       ARG 136  -5.234  10.079   1.970
   79   2HG   ARG 136          2HG       ARG 136  -5.851  10.804   0.480
   80   1HD   ARG 136          1HD       ARG 136  -7.383   8.451   0.973
   81   2HD   ARG 136          2HD       ARG 136  -7.933  10.136   1.076
   82    HE   ARG 136           HE       ARG 136  -6.496   9.373   3.422
   83   1HH1  ARG 136          1HH1      ARG 136  -9.725   8.671   1.924
   84   2HH1  ARG 136          2HH1      ARG 136 -10.250   7.854   3.353
   85   1HH2  ARG 136          1HH2      ARG 136  -7.430   8.507   5.325
   86   2HH2  ARG 136          2HH2      ARG 136  -9.070   7.980   5.342
   87    HA   PRO 137           HA       PRO 137  -1.958  10.046  -3.786
   88   1HB   PRO 137          1HB       PRO 137  -0.911   7.776  -4.994
   89   2HB   PRO 137          2HB       PRO 137   0.022   8.815  -3.903
   90   1HG   PRO 137          1HG       PRO 137  -1.350   6.215  -3.194
   91   2HG   PRO 137          2HG       PRO 137   0.261   6.766  -2.781
   92   1HD   PRO 137          1HD       PRO 137  -2.043   6.922  -1.205
   93   2HD   PRO 137          2HD       PRO 137  -0.637   7.989  -0.960
   94    H    ILE 138           H        ILE 138  -2.894   9.228  -6.025
   95    HA   ILE 138           HA       ILE 138  -5.263   7.569  -5.587
   96    HB   ILE 138           HB       ILE 138  -5.451   9.846  -7.495
   97   1HG1  ILE 138          1HG1      ILE 138  -4.893  10.955  -5.308
   98   2HG1  ILE 138          2HG1      ILE 138  -6.420  11.374  -6.038
   99   1HG2  ILE 138          1HG2      ILE 138  -7.119   8.032  -7.528
  100   2HG2  ILE 138          2HG2      ILE 138  -7.552   8.351  -5.855
  101   3HG2  ILE 138          3HG2      ILE 138  -7.839   9.578  -7.119
  102   1HD1  ILE 138          1HD1      ILE 138  -6.195   9.377  -3.765
  103   2HD1  ILE 138          2HD1      ILE 138  -6.455  11.106  -3.535
  104   3HD1  ILE 138          3HD1      ILE 138  -7.667  10.143  -4.396
  105    H    ILE 139           H        ILE 139  -5.955   6.385  -7.600
  106    HA   ILE 139           HA       ILE 139  -3.837   6.187  -9.620
  107    HB   ILE 139           HB       ILE 139  -5.000   3.686  -8.372
  108   1HG1  ILE 139          1HG1      ILE 139  -2.734   5.316  -7.557
  109   2HG1  ILE 139          2HG1      ILE 139  -3.575   4.020  -6.689
  110   1HG2  ILE 139          1HG2      ILE 139  -2.826   4.122 -10.468
  111   2HG2  ILE 139          2HG2      ILE 139  -3.292   2.549  -9.779
  112   3HG2  ILE 139          3HG2      ILE 139  -4.458   3.448 -10.716
  113   1HD1  ILE 139          1HD1      ILE 139  -2.048   2.462  -7.935
  114   2HD1  ILE 139          2HD1      ILE 139  -1.189   3.892  -8.562
  115   3HD1  ILE 139          3HD1      ILE 139  -1.254   3.599  -6.821
  116    H    HIS 140           H        HIS 140  -4.681   6.278 -11.572
  117    HA   HIS 140           HA       HIS 140  -7.557   5.959 -12.063
  118   1HB   HIS 140          1HB       HIS 140  -5.205   6.606 -13.902
  119   2HB   HIS 140          2HB       HIS 140  -6.898   6.575 -14.405
  120    HD1  HIS 140           HD1      HIS 140  -8.369   8.267 -12.318
  121    HD2  HIS 140           HD2      HIS 140  -4.393   9.020 -13.451
  122    HE1  HIS 140           HE1      HIS 140  -7.887  10.651 -11.648
  123    H    PHE 141           H        PHE 141  -8.365   4.532 -13.600
  124    HA   PHE 141           HA       PHE 141  -6.858   1.982 -14.062
  125   1HB   PHE 141          1HB       PHE 141  -8.832   0.786 -13.316
  126   2HB   PHE 141          2HB       PHE 141  -9.720   2.261 -13.084
  127    HD1  PHE 141           HD1      PHE 141  -6.296   1.089 -11.888
  128    HD2  PHE 141           HD2      PHE 141 -10.168   2.706 -10.868
  129    HE1  PHE 141           HE1      PHE 141  -5.625   1.274  -9.488
  130    HE2  PHE 141           HE2      PHE 141  -9.518   2.780  -8.514
  131    HZ   PHE 141           HZ       PHE 141  -7.231   2.091  -7.799
  132    H    GLY 142           H        GLY 142  -9.299   4.269 -15.240
  133   1HA   GLY 142          1HA       GLY 142  -9.222   3.227 -17.896
  134   2HA   GLY 142          2HA       GLY 142 -10.591   2.488 -17.077
  135    H    SER 143           H        SER 143 -11.228   4.870 -15.450
  136    HA   SER 143           HA       SER 143 -11.625   7.169 -17.084
  137   1HB   SER 143          1HB       SER 143 -13.773   5.107 -16.862
  138   2HB   SER 143          2HB       SER 143 -14.291   6.729 -16.400
  139    HG   SER 143           HG       SER 143 -14.502   6.231 -18.719
  140    H    ASP 144           H        ASP 144 -12.758   8.898 -15.612
  141    HA   ASP 144           HA       ASP 144 -11.527   8.633 -13.031
  142   1HB   ASP 144          1HB       ASP 144 -12.818  10.764 -14.455
  143   2HB   ASP 144          2HB       ASP 144 -13.632  10.564 -12.888
  144    H    TYR 145           H        TYR 145 -14.537   7.403 -14.166
  145    HA   TYR 145           HA       TYR 145 -16.003   7.269 -11.706
  146   1HB   TYR 145          1HB       TYR 145 -16.983   6.427 -13.892
  147   2HB   TYR 145          2HB       TYR 145 -15.694   5.269 -14.033
  148    HD1  TYR 145           HD1      TYR 145 -17.865   6.109 -11.056
  149    HD2  TYR 145           HD2      TYR 145 -16.645   3.095 -13.895
  150    HE1  TYR 145           HE1      TYR 145 -19.084   4.401  -9.777
  151    HE2  TYR 145           HE2      TYR 145 -17.857   1.371 -12.613
  152    HH   TYR 145           HH       TYR 145 -19.125   0.905 -10.594
  153    H    GLU 146           H        GLU 146 -13.468   4.907 -12.961
  154    HA   GLU 146           HA       GLU 146 -14.028   3.434 -10.525
  155   1HB   GLU 146          1HB       GLU 146 -12.237   3.010 -12.926
  156   2HB   GLU 146          2HB       GLU 146 -12.167   1.971 -11.462
  157   1HG   GLU 146          1HG       GLU 146 -14.818   1.896 -11.788
  158   2HG   GLU 146          2HG       GLU 146 -14.396   2.324 -13.455
  159    H    ASP 147           H        ASP 147 -12.078   6.078 -11.253
  160    HA   ASP 147           HA       ASP 147 -10.039   5.725  -9.171
  161   1HB   ASP 147          1HB       ASP 147  -9.580   7.087 -11.203
  162   2HB   ASP 147          2HB       ASP 147 -10.949   8.122 -10.856
  163    H    ARG 148           H        ARG 148 -12.898   7.917  -9.803
  164    HA   ARG 148           HA       ARG 148 -12.982   8.749  -7.107
  165   1HB   ARG 148          1HB       ARG 148 -13.993  10.112  -8.765
  166   2HB   ARG 148          2HB       ARG 148 -14.961   8.791  -9.433
  167   1HG   ARG 148          1HG       ARG 148 -16.617   8.944  -7.911
  168   2HG   ARG 148          2HG       ARG 148 -15.580   9.529  -6.623
  169   1HD   ARG 148          1HD       ARG 148 -15.684  11.468  -8.783
  170   2HD   ARG 148          2HD       ARG 148 -17.317  11.032  -8.286
  171    HE   ARG 148           HE       ARG 148 -16.772  11.582  -5.986
  172   1HH1  ARG 148          1HH1      ARG 148 -14.564  12.997  -8.405
  173   2HH1  ARG 148          2HH1      ARG 148 -14.007  14.241  -7.353
  174   1HH2  ARG 148          1HH2      ARG 148 -16.014  13.064  -4.616
  175   2HH2  ARG 148          2HH2      ARG 148 -14.857  14.288  -5.045
  176    H    TYR 149           H        TYR 149 -14.757   6.151  -8.654
  177    HA   TYR 149           HA       TYR 149 -16.422   5.241  -6.600
  178   1HB   TYR 149          1HB       TYR 149 -16.397   4.234  -8.811
  179   2HB   TYR 149          2HB       TYR 149 -14.712   3.763  -8.611
  180    HD1  TYR 149           HD1      TYR 149 -18.182   3.058  -7.428
  181    HD2  TYR 149           HD2      TYR 149 -14.068   1.722  -7.620
  182    HE1  TYR 149           HE1      TYR 149 -18.887   0.788  -6.754
  183    HE2  TYR 149           HE2      TYR 149 -14.770  -0.547  -6.992
  184    HH   TYR 149           HH       TYR 149 -16.570  -1.691  -5.914
  185    H    TYR 150           H        TYR 150 -12.899   4.007  -7.082
  186    HA   TYR 150           HA       TYR 150 -13.061   2.738  -4.607
  187   1HB   TYR 150          1HB       TYR 150 -11.049   1.985  -5.156
  188   2HB   TYR 150          2HB       TYR 150 -11.309   2.711  -6.712
  189    HD1  TYR 150           HD1      TYR 150  -9.808   3.149  -3.352
  190    HD2  TYR 150           HD2      TYR 150  -9.876   4.576  -7.404
  191    HE1  TYR 150           HE1      TYR 150  -7.782   4.455  -2.887
  192    HE2  TYR 150           HE2      TYR 150  -7.878   5.944  -6.964
  193    HH   TYR 150           HH       TYR 150  -6.030   5.838  -3.943
  194    H    ARG 151           H        ARG 151 -12.131   6.111  -5.530
  195    HA   ARG 151           HA       ARG 151 -10.658   6.462  -3.138
  196   1HB   ARG 151          1HB       ARG 151  -9.909   8.377  -4.134
  197   2HB   ARG 151          2HB       ARG 151 -10.413   7.490  -5.513
  198   1HG   ARG 151          1HG       ARG 151 -12.611   8.871  -5.201
  199   2HG   ARG 151          2HG       ARG 151 -11.673   9.790  -4.027
  200   1HD   ARG 151          1HD       ARG 151  -9.863   9.640  -6.107
  201   2HD   ARG 151          2HD       ARG 151 -11.356   9.802  -7.008
  202    HE   ARG 151           HE       ARG 151 -11.556  11.700  -5.038
  203   1HH1  ARG 151          1HH1      ARG 151  -9.481  10.952  -7.832
  204   2HH1  ARG 151          2HH1      ARG 151  -8.707  12.501  -7.896
  205   1HH2  ARG 151          1HH2      ARG 151 -10.334  13.715  -4.956
  206   2HH2  ARG 151          2HH2      ARG 151  -9.381  14.187  -6.328
  207    H    GLU 152           H        GLU 152 -14.044   7.151  -3.912
  208    HA   GLU 152           HA       GLU 152 -14.417   8.506  -1.302
  209   1HB   GLU 152          1HB       GLU 152 -16.405   7.597  -3.425
  210   2HB   GLU 152          2HB       GLU 152 -16.835   8.324  -1.863
  211   1HG   GLU 152          1HG       GLU 152 -15.068  10.188  -2.595
  212   2HG   GLU 152          2HG       GLU 152 -15.377   9.581  -4.214
  213    H    ASN 153           H        ASN 153 -14.983   5.255  -2.772
  214    HA   ASN 153           HA       ASN 153 -16.053   4.159  -0.314
  215   1HB   ASN 153          1HB       ASN 153 -14.884   2.807  -2.773
  216   2HB   ASN 153          2HB       ASN 153 -15.495   1.936  -1.372
  217   2HD2  ASN 153          2HD2      ASN 153 -16.466   3.555  -4.261
  218   1HD2  ASN 153          1HD2      ASN 153 -18.191   3.449  -4.026
  219    H    MET 154           H        MET 154 -12.865   5.033  -1.130
  220    HA   MET 154           HA       MET 154 -10.986   3.633  -0.154
  221   1HB   MET 154          1HB       MET 154 -11.546   6.509   0.267
  222   2HB   MET 154          2HB       MET 154 -10.410   5.845   1.434
  223   1HG   MET 154          1HG       MET 154  -8.895   5.142  -0.240
  224   2HG   MET 154          2HG       MET 154 -10.062   5.452  -1.525
  225   1HE   MET 154          1HE       MET 154  -7.175   6.592  -1.739
  226   2HE   MET 154          2HE       MET 154  -8.459   7.013  -2.901
  227   3HE   MET 154          3HE       MET 154  -7.438   8.286  -2.204
  228    H    HIS 155           H        HIS 155 -12.435   5.579   2.442
  229    HA   HIS 155           HA       HIS 155 -12.625   5.267   4.646
  230   1HB   HIS 155          1HB       HIS 155 -14.509   3.315   3.320
  231   2HB   HIS 155          2HB       HIS 155 -14.505   3.564   5.068
  232    HD1  HIS 155           HD1      HIS 155 -15.133   5.728   1.818
  233    HD2  HIS 155           HD2      HIS 155 -15.550   5.742   6.037
  234    HE1  HIS 155           HE1      HIS 155 -16.324   7.835   2.388
  235    H    ARG 156           H        ARG 156 -12.715   1.890   3.730
  236    HA   ARG 156           HA       ARG 156 -11.328   0.728   5.917
  237   1HB   ARG 156          1HB       ARG 156 -11.578  -0.250   3.023
  238   2HB   ARG 156          2HB       ARG 156 -11.207  -1.204   4.447
  239   1HG   ARG 156          1HG       ARG 156 -13.534  -0.390   5.321
  240   2HG   ARG 156          2HG       ARG 156 -13.417  -1.736   4.208
  241   1HD   ARG 156          1HD       ARG 156 -14.267   1.096   3.456
  242   2HD   ARG 156          2HD       ARG 156 -15.308  -0.295   3.715
  243    HE   ARG 156           HE       ARG 156 -13.193  -0.308   1.603
  244   1HH1  ARG 156          1HH1      ARG 156 -16.699   0.002   2.084
  245   2HH1  ARG 156          2HH1      ARG 156 -17.024  -0.766   0.561
  246   1HH2  ARG 156          1HH2      ARG 156 -13.753  -1.069  -0.409
  247   2HH2  ARG 156          2HH2      ARG 156 -15.338  -1.721  -0.720
  248    H    TYR 157           H        TYR 157 -10.185   1.785   2.701
  249    HA   TYR 157           HA       TYR 157  -7.897   0.348   2.594
  250   1HB   TYR 157          1HB       TYR 157  -8.583   3.006   1.290
  251   2HB   TYR 157          2HB       TYR 157  -7.121   2.131   0.894
  252    HD1  TYR 157           HD1      TYR 157  -9.641  -0.322   1.524
  253    HD2  TYR 157           HD2      TYR 157  -8.242   2.449  -1.505
  254    HE1  TYR 157           HE1      TYR 157 -10.837  -1.572  -0.176
  255    HE2  TYR 157           HE2      TYR 157  -9.301   1.050  -3.230
  256    HH   TYR 157           HH       TYR 157 -10.846  -1.981  -2.447
  257    HA   PRO 158           HA       PRO 158  -4.897   2.200   5.179
  258   1HB   PRO 158          1HB       PRO 158  -2.526   1.306   4.023
  259   2HB   PRO 158          2HB       PRO 158  -3.631   0.349   5.015
  260   1HG   PRO 158          1HG       PRO 158  -3.245   0.390   2.047
  261   2HG   PRO 158          2HG       PRO 158  -3.753  -0.980   3.075
  262   1HD   PRO 158          1HD       PRO 158  -5.410   0.684   1.482
  263   2HD   PRO 158          2HD       PRO 158  -5.973  -0.448   2.724
  264    H    ASN 159           H        ASN 159  -2.715   3.371   5.117
  265    HA   ASN 159           HA       ASN 159  -2.287   5.251   2.902
  266   1HB   ASN 159          1HB       ASN 159  -2.376   7.140   4.323
  267   2HB   ASN 159          2HB       ASN 159  -3.923   6.308   4.378
  268   2HD2  ASN 159          2HD2      ASN 159  -2.004   8.027   6.420
  269   1HD2  ASN 159          1HD2      ASN 159  -2.386   7.156   7.909
  270    H    GLN 160           H        GLN 160  -1.204   4.214   6.238
  271    HA   GLN 160           HA       GLN 160   1.628   4.345   5.332
  272   1HB   GLN 160          1HB       GLN 160   2.020   3.088   7.479
  273   2HB   GLN 160          2HB       GLN 160   1.575   4.731   7.624
  274   1HG   GLN 160          1HG       GLN 160  -0.828   2.970   7.704
  275   2HG   GLN 160          2HG       GLN 160   0.422   2.559   8.840
  276   2HE2  GLN 160          2HE2      GLN 160   1.265   4.180  10.473
  277   1HE2  GLN 160          1HE2      GLN 160   0.019   5.319  10.948
  278    H    VAL 161           H        VAL 161   2.877   2.246   5.357
  279    HA   VAL 161           HA       VAL 161   1.264  -0.147   4.752
  280    HB   VAL 161           HB       VAL 161   2.693  -0.585   2.793
  281   1HG1  VAL 161          1HG1      VAL 161   0.482   0.589   2.489
  282   2HG1  VAL 161          2HG1      VAL 161   1.343   2.133   2.491
  283   3HG1  VAL 161          3HG1      VAL 161   1.671   0.940   1.219
  284   1HG2  VAL 161          1HG2      VAL 161   4.671   0.826   3.386
  285   2HG2  VAL 161          2HG2      VAL 161   4.041   1.176   1.771
  286   3HG2  VAL 161          3HG2      VAL 161   3.692   2.284   3.093
  287    H    TYR 162           H        TYR 162   2.643  -2.120   4.833
  288    HA   TYR 162           HA       TYR 162   4.530  -1.944   7.109
  289   1HB   TYR 162          1HB       TYR 162   2.471  -3.962   6.176
  290   2HB   TYR 162          2HB       TYR 162   3.842  -4.475   7.144
  291    HD1  TYR 162           HD1      TYR 162   4.236  -3.456   9.423
  292    HD2  TYR 162           HD2      TYR 162   0.517  -3.068   7.264
  293    HE1  TYR 162           HE1      TYR 162   3.077  -2.930  11.526
  294    HE2  TYR 162           HE2      TYR 162  -0.635  -2.519   9.395
  295    HH   TYR 162           HH       TYR 162   1.123  -2.219  12.492
  296    H    TYR 163           H        TYR 163   6.573  -2.815   6.867
  297    HA   TYR 163           HA       TYR 163   7.331  -4.659   4.750
  298   1HB   TYR 163          1HB       TYR 163   8.865  -2.991   3.644
  299   2HB   TYR 163          2HB       TYR 163   7.180  -2.585   3.418
  300    HD1  TYR 163           HD1      TYR 163   6.141  -0.657   4.721
  301    HD2  TYR 163           HD2      TYR 163  10.354  -1.438   4.646
  302    HE1  TYR 163           HE1      TYR 163   6.542   1.557   5.672
  303    HE2  TYR 163           HE2      TYR 163  10.796   0.758   5.708
  304    HH   TYR 163           HH       TYR 163   9.776   2.606   6.830
  305    H    ARG 164           H        ARG 164  10.010  -4.529   4.781
  306    HA   ARG 164           HA       ARG 164  10.615  -5.028   7.651
  307   1HB   ARG 164          1HB       ARG 164  12.126  -5.651   5.060
  308   2HB   ARG 164          2HB       ARG 164  12.783  -5.952   6.661
  309   1HG   ARG 164          1HG       ARG 164  10.134  -7.146   5.726
  310   2HG   ARG 164          2HG       ARG 164  11.692  -7.953   5.489
  311   1HD   ARG 164          1HD       ARG 164  12.109  -8.169   7.781
  312   2HD   ARG 164          2HD       ARG 164  10.887  -6.989   8.251
  313    HE   ARG 164           HE       ARG 164   9.303  -8.748   7.102
  314   1HH1  ARG 164          1HH1      ARG 164  11.880  -9.111   9.541
  315   2HH1  ARG 164          2HH1      ARG 164  11.284 -10.607  10.183
  316   1HH2  ARG 164          1HH2      ARG 164   8.542 -10.856   7.959
  317   2HH2  ARG 164          2HH2      ARG 164   9.447 -11.590   9.254
  318    HA   PRO 165           HA       PRO 165  12.750  -1.060   7.750
  319   1HB   PRO 165          1HB       PRO 165  13.807  -0.949   9.827
  320   2HB   PRO 165          2HB       PRO 165  14.855  -2.327   9.419
  321   1HG   PRO 165          1HG       PRO 165  13.529  -3.440  10.980
  322   2HG   PRO 165          2HG       PRO 165  12.114  -2.403  10.656
  323   1HD   PRO 165          1HD       PRO 165  11.468  -4.287   9.451
  324   2HD   PRO 165          2HD       PRO 165  13.148  -4.722   9.025
  325    H    MET 166           H        MET 166  14.570  -0.268   6.285
  326    HA   MET 166           HA       MET 166  16.300  -1.786   4.995
  327   1HB   MET 166          1HB       MET 166  16.051   0.901   5.378
  328   2HB   MET 166          2HB       MET 166  17.560   0.629   6.246
  329   1HG   MET 166          1HG       MET 166  18.492  -0.524   4.302
  330   2HG   MET 166          2HG       MET 166  16.931  -0.489   3.517
  331   1HE   MET 166          1HE       MET 166  16.255   1.315   1.805
  332   2HE   MET 166          2HE       MET 166  15.753   2.241   3.253
  333   3HE   MET 166          3HE       MET 166  16.702   3.023   1.975
  334    H    ASP 167           H        ASP 167  18.311  -2.528   5.180
  335    HA   ASP 167           HA       ASP 167  19.779  -3.313   7.439
  336   1HB   ASP 167          1HB       ASP 167  18.119  -4.479   8.523
  337   2HB   ASP 167          2HB       ASP 167  17.138  -4.669   7.090
  338    H    GLU 168           H        GLU 168  18.040  -4.378   4.464
  339    HA   GLU 168           HA       GLU 168  20.072  -4.708   2.712
  340   1HB   GLU 168          1HB       GLU 168  20.439  -6.829   4.716
  341   2HB   GLU 168          2HB       GLU 168  19.939  -7.527   3.207
  342   1HG   GLU 168          1HG       GLU 168  22.113  -7.537   2.738
  343   2HG   GLU 168          2HG       GLU 168  21.799  -5.917   2.138
  344    H    TYR 169           H        TYR 169  17.182  -6.302   4.037
  345    HA   TYR 169           HA       TYR 169  16.280  -7.602   1.690
  346   1HB   TYR 169          1HB       TYR 169  15.459  -7.827   4.071
  347   2HB   TYR 169          2HB       TYR 169  14.568  -6.331   3.867
  348    HD1  TYR 169           HD1      TYR 169  12.819  -6.323   1.801
  349    HD2  TYR 169           HD2      TYR 169  14.327  -9.810   3.853
  350    HE1  TYR 169           HE1      TYR 169  10.808  -7.605   1.091
  351    HE2  TYR 169           HE2      TYR 169  12.279 -11.059   3.179
  352    HH   TYR 169           HH       TYR 169   9.968  -9.979   0.907
  353    H    ASN 170           H        ASN 170  16.158  -4.176   2.621
  354    HA   ASN 170           HA       ASN 170  14.321  -3.104   0.923
  355   1HB   ASN 170          1HB       ASN 170  15.755  -1.830   2.444
  356   2HB   ASN 170          2HB       ASN 170  15.695  -1.097   0.845
  357   2HD2  ASN 170          2HD2      ASN 170  17.652  -1.091  -0.552
  358   1HD2  ASN 170          1HD2      ASN 170  19.158  -1.629   0.118
  359    H    ASN 171           H        ASN 171  14.255  -2.357  -1.145
  360    HA   ASN 171           HA       ASN 171  16.374  -2.355  -2.907
  361   1HB   ASN 171          1HB       ASN 171  15.788  -4.875  -3.105
  362   2HB   ASN 171          2HB       ASN 171  14.247  -4.364  -3.808
  363   2HD2  ASN 171          2HD2      ASN 171  14.468  -4.648  -6.145
  364   1HD2  ASN 171          1HD2      ASN 171  15.904  -4.103  -6.944
  365    H    GLN 172           H        GLN 172  14.790  -2.209  -5.360
  366    HA   GLN 172           HA       GLN 172  12.944  -0.059  -4.916
  367   1HB   GLN 172          1HB       GLN 172  14.724  -0.412  -6.863
  368   2HB   GLN 172          2HB       GLN 172  13.517  -1.470  -7.537
  369   1HG   GLN 172          1HG       GLN 172  12.945   1.358  -6.767
  370   2HG   GLN 172          2HG       GLN 172  13.584   0.916  -8.338
  371   2HE2  GLN 172          2HE2      GLN 172  10.990  -0.274  -6.226
  372   1HE2  GLN 172          1HE2      GLN 172   9.922   0.667  -7.134
  373    H    ASN 173           H        ASN 173  12.968  -3.317  -6.687
  374    HA   ASN 173           HA       ASN 173  10.077  -3.234  -6.412
  375   1HB   ASN 173          1HB       ASN 173   9.969  -4.995  -7.951
  376   2HB   ASN 173          2HB       ASN 173  11.297  -3.990  -8.525
  377   2HD2  ASN 173          2HD2      ASN 173  13.397  -4.964  -8.589
  378   1HD2  ASN 173          1HD2      ASN 173  13.751  -6.508  -7.825
  379    H    ASN 174           H        ASN 174  12.672  -5.267  -5.165
  380    HA   ASN 174           HA       ASN 174  11.103  -7.340  -4.121
  381   1HB   ASN 174          1HB       ASN 174  13.554  -7.511  -4.137
  382   2HB   ASN 174          2HB       ASN 174  13.671  -6.302  -2.854
  383   2HD2  ASN 174          2HD2      ASN 174  14.020  -7.210  -0.799
  384   1HD2  ASN 174          1HD2      ASN 174  13.604  -8.877  -0.519
  385    H    PHE 175           H        PHE 175  12.101  -4.399  -2.441
  386    HA   PHE 175           HA       PHE 175  10.589  -4.668  -0.047
  387   1HB   PHE 175          1HB       PHE 175  12.296  -3.063  -0.120
  388   2HB   PHE 175          2HB       PHE 175  11.730  -2.381  -1.627
  389    HD1  PHE 175           HD1      PHE 175   9.714  -0.912  -1.716
  390    HD2  PHE 175           HD2      PHE 175  11.558  -2.026   2.044
  391    HE1  PHE 175           HE1      PHE 175   8.697   1.013  -0.635
  392    HE2  PHE 175           HE2      PHE 175  10.758   0.093   2.990
  393    HZ   PHE 175           HZ       PHE 175   9.229   1.556   1.736
  394    H    VAL 176           H        VAL 176   9.663  -2.996  -3.190
  395    HA   VAL 176           HA       VAL 176   7.148  -2.159  -2.183
  396    HB   VAL 176           HB       VAL 176   8.042  -2.678  -5.053
  397   1HG1  VAL 176          1HG1      VAL 176   5.606  -1.110  -4.054
  398   2HG1  VAL 176          2HG1      VAL 176   6.181  -1.179  -5.733
  399   3HG1  VAL 176          3HG1      VAL 176   5.559  -2.636  -4.960
  400   1HG2  VAL 176          1HG2      VAL 176   9.298  -0.866  -3.804
  401   2HG2  VAL 176          2HG2      VAL 176   8.421  -0.311  -5.202
  402   3HG2  VAL 176          3HG2      VAL 176   7.734  -0.027  -3.581
  403    H    HIS 177           H        HIS 177   7.954  -5.032  -4.212
  404    HA   HIS 177           HA       HIS 177   5.298  -5.798  -4.571
  405   1HB   HIS 177          1HB       HIS 177   7.398  -6.522  -5.838
  406   2HB   HIS 177          2HB       HIS 177   7.671  -7.683  -4.531
  407    HD1  HIS 177           HD1      HIS 177   5.366  -7.042  -7.546
  408    HD2  HIS 177           HD2      HIS 177   5.769  -9.665  -4.263
  409    HE1  HIS 177           HE1      HIS 177   3.718  -8.903  -7.926
  410    H    ASP 178           H        ASP 178   7.674  -6.945  -2.098
  411    HA   ASP 178           HA       ASP 178   5.741  -8.697  -0.812
  412   1HB   ASP 178          1HB       ASP 178   8.501  -7.724  -0.129
  413   2HB   ASP 178          2HB       ASP 178   7.484  -8.271   1.186
  414    H    CYS 179           H        CYS 179   6.473  -5.211  -0.546
  415    HA   CYS 179           HA       CYS 179   5.354  -4.799   2.073
  416   1HB   CYS 179          1HB       CYS 179   6.879  -3.192   1.128
  417   2HB   CYS 179          2HB       CYS 179   5.918  -3.034  -0.329
  418    H    VAL 180           H        VAL 180   4.158  -4.461  -1.279
  419    HA   VAL 180           HA       VAL 180   1.441  -3.888  -0.700
  420    HB   VAL 180           HB       VAL 180   2.730  -5.357  -3.038
  421   1HG1  VAL 180          1HG1      VAL 180  -0.047  -4.101  -2.836
  422   2HG1  VAL 180          2HG1      VAL 180   0.700  -4.708  -4.325
  423   3HG1  VAL 180          3HG1      VAL 180   0.309  -5.833  -3.024
  424   1HG2  VAL 180          1HG2      VAL 180   3.467  -2.930  -2.587
  425   2HG2  VAL 180          2HG2      VAL 180   2.772  -3.274  -4.166
  426   3HG2  VAL 180          3HG2      VAL 180   1.796  -2.469  -2.925
  427    H    ASN 181           H        ASN 181   3.028  -7.067  -1.403
  428    HA   ASN 181           HA       ASN 181   0.786  -8.627  -0.985
  429   1HB   ASN 181          1HB       ASN 181   3.561  -9.112  -1.366
  430   2HB   ASN 181          2HB       ASN 181   3.166  -9.976   0.108
  431   2HD2  ASN 181          2HD2      ASN 181   3.984 -11.079  -2.478
  432   1HD2  ASN 181          1HD2      ASN 181   2.680 -12.066  -3.065
  433    H    ILE 182           H        ILE 182   3.009  -7.427   1.511
  434    HA   ILE 182           HA       ILE 182   1.796  -8.970   3.636
  435    HB   ILE 182           HB       ILE 182   4.008  -6.978   3.269
  436   1HG1  ILE 182          1HG1      ILE 182   4.256  -9.474   3.411
  437   2HG1  ILE 182          2HG1      ILE 182   5.294  -8.551   4.481
  438   1HG2  ILE 182          1HG2      ILE 182   2.676  -7.033   5.939
  439   2HG2  ILE 182          2HG2      ILE 182   4.385  -6.530   5.636
  440   3HG2  ILE 182          3HG2      ILE 182   3.065  -5.657   4.888
  441   1HD1  ILE 182          1HD1      ILE 182   2.656  -9.730   5.441
  442   2HD1  ILE 182          2HD1      ILE 182   4.200 -10.583   5.545
  443   3HD1  ILE 182          3HD1      ILE 182   3.949  -9.061   6.436
  444    H    THR 183           H        THR 183   1.517  -5.652   2.399
  445    HA   THR 183           HA       THR 183   0.038  -4.742   4.769
  446    HB   THR 183           HB       THR 183   0.297  -3.464   2.009
  447    HG1  THR 183           HG1      THR 183   2.273  -3.602   2.882
  448   1HG2  THR 183          1HG2      THR 183  -0.493  -2.249   4.699
  449   2HG2  THR 183          2HG2      THR 183  -0.260  -1.367   3.175
  450   3HG2  THR 183          3HG2      THR 183  -1.594  -2.511   3.331
  451    H    ILE 184           H        ILE 184  -0.759  -5.807   1.490
  452    HA   ILE 184           HA       ILE 184  -3.615  -5.516   1.689
  453    HB   ILE 184           HB       ILE 184  -1.811  -7.191  -0.113
  454   1HG1  ILE 184          1HG1      ILE 184  -2.418  -5.447  -1.812
  455   2HG1  ILE 184          2HG1      ILE 184  -1.429  -4.809  -0.517
  456   1HG2  ILE 184          1HG2      ILE 184  -4.807  -6.768  -0.240
  457   2HG2  ILE 184          2HG2      ILE 184  -3.839  -7.310  -1.624
  458   3HG2  ILE 184          3HG2      ILE 184  -3.915  -8.282  -0.162
  459   1HD1  ILE 184          1HD1      ILE 184  -4.411  -4.562  -0.777
  460   2HD1  ILE 184          2HD1      ILE 184  -3.387  -3.698   0.402
  461   3HD1  ILE 184          3HD1      ILE 184  -3.219  -3.382  -1.352
  462    H    LYS 185           H        LYS 185  -1.300  -8.237   2.420
  463    HA   LYS 185           HA       LYS 185  -3.254 -10.071   3.209
  464   1HB   LYS 185          1HB       LYS 185  -0.342  -9.612   3.672
  465   2HB   LYS 185          2HB       LYS 185  -1.124 -10.435   4.979
  466   1HG   LYS 185          1HG       LYS 185  -1.450 -11.325   2.081
  467   2HG   LYS 185          2HG       LYS 185  -0.134 -11.897   3.125
  468   1HD   LYS 185          1HD       LYS 185  -1.763 -12.700   4.795
  469   2HD   LYS 185          2HD       LYS 185  -3.104 -12.162   3.748
  470   1HE   LYS 185          1HE       LYS 185  -3.055 -13.975   2.578
  471   2HE   LYS 185          2HE       LYS 185  -1.316 -13.719   2.189
  472   1HZ   LYS 185          1HZ       LYS 185  -0.883 -14.832   4.367
  473   2HZ   LYS 185          2HZ       LYS 185  -2.530 -15.164   4.437
  474   3HZ   LYS 185          3HZ       LYS 185  -1.586 -15.811   3.274
  475    H    GLN 186           H        GLN 186  -1.643  -7.449   5.155
  476    HA   GLN 186           HA       GLN 186  -3.335  -8.269   7.403
  477   1HB   GLN 186          1HB       GLN 186  -2.326  -6.432   8.591
  478   2HB   GLN 186          2HB       GLN 186  -1.632  -5.745   7.138
  479   1HG   GLN 186          1HG       GLN 186  -0.151  -6.983   8.758
  480   2HG   GLN 186          2HG       GLN 186   0.093  -7.317   7.061
  481   2HE2  GLN 186          2HE2      GLN 186   1.195  -9.354   7.554
  482   1HE2  GLN 186          1HE2      GLN 186   0.315 -10.690   8.273
  483    H    HIS 187           H        HIS 187  -4.325  -6.878   4.602
  484    HA   HIS 187           HA       HIS 187  -6.555  -5.529   5.962
  485   1HB   HIS 187          1HB       HIS 187  -4.841  -4.592   3.986
  486   2HB   HIS 187          2HB       HIS 187  -6.140  -5.253   3.042
  487    HD1  HIS 187           HD1      HIS 187  -5.077  -2.323   5.023
  488    HD2  HIS 187           HD2      HIS 187  -8.725  -4.093   3.908
  489    HE1  HIS 187           HE1      HIS 187  -6.893  -0.550   5.399
  490    H    THR 188           H        THR 188  -5.669  -8.596   4.701
  491    HA   THR 188           HA       THR 188  -8.494  -9.198   3.977
  492    HB   THR 188           HB       THR 188  -7.470 -11.189   2.902
  493    HG1  THR 188           HG1      THR 188  -5.192 -10.603   2.173
  494   1HG2  THR 188          1HG2      THR 188  -8.205  -9.184   1.603
  495   2HG2  THR 188          2HG2      THR 188  -6.499  -8.625   1.639
  496   3HG2  THR 188          3HG2      THR 188  -6.946 -10.126   0.817
  497    H    VAL 189           H        VAL 189  -5.574 -10.273   5.805
  498    HA   VAL 189           HA       VAL 189  -6.673 -12.667   6.821
  499    HB   VAL 189           HB       VAL 189  -4.558 -10.914   8.138
  500   1HG1  VAL 189          1HG1      VAL 189  -5.231 -12.942   9.426
  501   2HG1  VAL 189          2HG1      VAL 189  -4.797 -13.939   8.003
  502   3HG1  VAL 189          3HG1      VAL 189  -3.548 -12.990   8.848
  503   1HG2  VAL 189          1HG2      VAL 189  -4.308 -11.697   5.535
  504   2HG2  VAL 189          2HG2      VAL 189  -2.981 -11.459   6.676
  505   3HG2  VAL 189          3HG2      VAL 189  -3.614 -13.089   6.334
  506    H    THR 190           H        THR 190  -6.207  -9.555   8.404
  507    HA   THR 190           HA       THR 190  -7.940  -9.895  10.624
  508    HB   THR 190           HB       THR 190  -6.393  -8.000  10.385
  509    HG1  THR 190           HG1      THR 190  -7.801  -7.315  11.783
  510   1HG2  THR 190          1HG2      THR 190  -6.726  -7.535   7.948
  511   2HG2  THR 190          2HG2      THR 190  -8.324  -6.852   8.321
  512   3HG2  THR 190          3HG2      THR 190  -6.874  -6.093   8.975
  513    H    THR 191           H        THR 191  -8.767  -9.293   7.164
  514    HA   THR 191           HA       THR 191 -11.279  -8.123   7.791
  515    HB   THR 191           HB       THR 191  -9.660  -8.255   5.551
  516    HG1  THR 191           HG1      THR 191 -11.222  -6.891   4.797
  517   1HG2  THR 191          1HG2      THR 191 -12.209  -9.783   4.896
  518   2HG2  THR 191          2HG2      THR 191 -11.169  -8.971   3.712
  519   3HG2  THR 191          3HG2      THR 191 -10.575 -10.336   4.647
  520    H    THR 192           H        THR 192 -10.110 -11.387   7.335
  521    HA   THR 192           HA       THR 192 -12.558 -12.684   6.901
  522    HB   THR 192           HB       THR 192  -9.926 -13.243   6.719
  523    HG1  THR 192           HG1      THR 192 -11.606 -14.223   5.653
  524   1HG2  THR 192          1HG2      THR 192  -9.835 -13.622   9.239
  525   2HG2  THR 192          2HG2      THR 192 -10.805 -15.082   8.963
  526   3HG2  THR 192          3HG2      THR 192  -9.198 -14.928   8.213
  527    H    THR 193           H        THR 193 -11.330 -11.226   9.837
  528    HA   THR 193           HA       THR 193 -13.314 -12.711  11.431
  529    HB   THR 193           HB       THR 193 -11.028 -13.178  12.032
  530    HG1  THR 193           HG1      THR 193 -12.212 -13.526  13.739
  531   1HG2  THR 193          1HG2      THR 193 -10.847 -10.254  12.775
  532   2HG2  THR 193          2HG2      THR 193  -9.745 -11.517  13.367
  533   3HG2  THR 193          3HG2      THR 193  -9.830 -11.178  11.638
  534    H    LYS 194           H        LYS 194 -13.598 -10.312   9.569
  535    HA   LYS 194           HA       LYS 194 -15.512  -9.081  11.423
  536   1HB   LYS 194          1HB       LYS 194 -13.601  -7.590  11.490
  537   2HB   LYS 194          2HB       LYS 194 -14.971  -6.805  10.688
  538   1HG   LYS 194          1HG       LYS 194 -12.709  -8.187   9.230
  539   2HG   LYS 194          2HG       LYS 194 -13.991  -7.224   8.509
  540   1HD   LYS 194          1HD       LYS 194 -12.060  -5.854   8.550
  541   2HD   LYS 194          2HD       LYS 194 -13.039  -5.262   9.909
  542   1HE   LYS 194          1HE       LYS 194 -11.679  -6.767  11.436
  543   2HE   LYS 194          2HE       LYS 194 -10.725  -7.272  10.048
  544   1HZ   LYS 194          1HZ       LYS 194 -10.057  -4.954   9.757
  545   2HZ   LYS 194          2HZ       LYS 194 -10.878  -4.523  11.128
  546   3HZ   LYS 194          3HZ       LYS 194  -9.582  -5.573  11.193
  547    H    GLY 195           H        GLY 195 -15.318 -10.974   8.839
  548   1HA   GLY 195          1HA       GLY 195 -17.091 -11.588   7.534
  549   2HA   GLY 195          2HA       GLY 195 -17.969 -10.192   8.147
  550    H    GLU 196           H        GLU 196 -14.875  -9.544   6.697
  551    HA   GLU 196           HA       GLU 196 -16.312  -7.484   5.316
  552   1HB   GLU 196          1HB       GLU 196 -13.864  -7.597   6.350
  553   2HB   GLU 196          2HB       GLU 196 -13.467  -8.116   4.707
  554   1HG   GLU 196          1HG       GLU 196 -13.072  -5.725   4.931
  555   2HG   GLU 196          2HG       GLU 196 -14.259  -6.075   3.768
  556    H    ASN 197           H        ASN 197 -16.099  -6.872   3.159
  557    HA   ASN 197           HA       ASN 197 -16.581  -9.090   1.238
  558   1HB   ASN 197          1HB       ASN 197 -18.199  -7.223   0.341
  559   2HB   ASN 197          2HB       ASN 197 -18.648  -8.188   1.737
  560   2HD2  ASN 197          2HD2      ASN 197 -16.447  -5.307   1.515
  561   1HD2  ASN 197          1HD2      ASN 197 -17.345  -4.401   2.750
  562    H    PHE 198           H        PHE 198 -14.434  -9.067   0.370
  563    HA   PHE 198           HA       PHE 198 -13.649  -6.629  -1.171
  564   1HB   PHE 198          1HB       PHE 198 -11.986  -8.420   0.638
  565   2HB   PHE 198          2HB       PHE 198 -11.289  -7.405  -0.591
  566    HD1  PHE 198           HD1      PHE 198 -13.405  -4.985   0.077
  567    HD2  PHE 198           HD2      PHE 198 -10.519  -7.324   2.317
  568    HE1  PHE 198           HE1      PHE 198 -13.248  -3.205   1.731
  569    HE2  PHE 198           HE2      PHE 198 -10.353  -5.477   3.959
  570    HZ   PHE 198           HZ       PHE 198 -11.697  -3.432   3.688
  571    H    THR 199           H        THR 199 -14.260  -7.315  -3.172
  572    HA   THR 199           HA       THR 199 -13.763 -10.062  -4.007
  573    HB   THR 199           HB       THR 199 -14.820  -9.289  -6.123
  574    HG1  THR 199           HG1      THR 199 -15.828  -7.060  -5.684
  575   1HG2  THR 199          1HG2      THR 199 -16.328  -8.452  -3.595
  576   2HG2  THR 199          2HG2      THR 199 -17.060  -8.761  -5.187
  577   3HG2  THR 199          3HG2      THR 199 -16.265 -10.069  -4.300
  578    H    GLU 200           H        GLU 200 -12.660 -10.279  -6.329
  579    HA   GLU 200           HA       GLU 200  -9.937  -9.530  -5.987
  580   1HB   GLU 200          1HB       GLU 200 -10.911 -11.461  -7.323
  581   2HB   GLU 200          2HB       GLU 200 -11.330 -10.299  -8.585
  582   1HG   GLU 200          1HG       GLU 200  -9.040  -9.696  -8.934
  583   2HG   GLU 200          2HG       GLU 200  -8.512 -10.602  -7.530
  584    H    THR 201           H        THR 201 -12.524  -7.803  -7.769
  585    HA   THR 201           HA       THR 201 -10.608  -6.018  -9.014
  586    HB   THR 201           HB       THR 201 -13.445  -5.227  -8.333
  587    HG1  THR 201           HG1      THR 201 -14.019  -6.198 -10.328
  588   1HG2  THR 201          1HG2      THR 201 -11.842  -3.561  -9.347
  589   2HG2  THR 201          2HG2      THR 201 -11.701  -4.625 -10.763
  590   3HG2  THR 201          3HG2      THR 201 -13.253  -3.869 -10.318
  591    H    ASP 202           H        ASP 202 -12.392  -6.097  -5.978
  592    HA   ASP 202           HA       ASP 202 -11.792  -3.424  -5.117
  593   1HB   ASP 202          1HB       ASP 202 -12.450  -4.098  -2.919
  594   2HB   ASP 202          2HB       ASP 202 -12.282  -5.802  -3.279
  595    H    VAL 203           H        VAL 203 -10.262  -6.617  -4.581
  596    HA   VAL 203           HA       VAL 203  -8.116  -5.751  -2.914
  597    HB   VAL 203           HB       VAL 203  -8.569  -8.166  -4.727
  598   1HG1  VAL 203          1HG1      VAL 203  -6.235  -7.728  -2.815
  599   2HG1  VAL 203          2HG1      VAL 203  -6.679  -9.278  -3.569
  600   3HG1  VAL 203          3HG1      VAL 203  -6.168  -7.937  -4.581
  601   1HG2  VAL 203          1HG2      VAL 203  -9.974  -7.963  -2.636
  602   2HG2  VAL 203          2HG2      VAL 203  -8.925  -9.389  -2.668
  603   3HG2  VAL 203          3HG2      VAL 203  -8.478  -7.978  -1.685
  604    H    LYS 204           H        LYS 204  -8.287  -6.306  -6.459
  605    HA   LYS 204           HA       LYS 204  -5.633  -5.457  -7.059
  606   1HB   LYS 204          1HB       LYS 204  -8.172  -5.085  -8.674
  607   2HB   LYS 204          2HB       LYS 204  -6.556  -4.787  -9.310
  608   1HG   LYS 204          1HG       LYS 204  -5.940  -7.089  -9.232
  609   2HG   LYS 204          2HG       LYS 204  -7.263  -7.513  -8.179
  610   1HD   LYS 204          1HD       LYS 204  -8.161  -8.231 -10.199
  611   2HD   LYS 204          2HD       LYS 204  -8.792  -6.600 -10.175
  612   1HE   LYS 204          1HE       LYS 204  -6.378  -6.124 -11.315
  613   2HE   LYS 204          2HE       LYS 204  -7.858  -6.504 -12.242
  614   1HZ   LYS 204          1HZ       LYS 204  -6.147  -8.675 -11.307
  615   2HZ   LYS 204          2HZ       LYS 204  -7.231  -8.644 -12.529
  616   3HZ   LYS 204          3HZ       LYS 204  -5.760  -7.872 -12.693
  617    H    MET 205           H        MET 205  -8.574  -3.461  -6.648
  618    HA   MET 205           HA       MET 205  -7.390  -0.953  -7.369
  619   1HB   MET 205          1HB       MET 205  -9.851  -1.862  -5.945
  620   2HB   MET 205          2HB       MET 205  -9.286  -0.264  -5.489
  621   1HG   MET 205          1HG       MET 205  -9.589   0.612  -7.569
  622   2HG   MET 205          2HG       MET 205  -9.506  -0.915  -8.429
  623   1HE   MET 205          1HE       MET 205 -11.515  -0.515  -9.942
  624   2HE   MET 205          2HE       MET 205 -13.070   0.146  -9.400
  625   3HE   MET 205          3HE       MET 205 -11.604   1.138  -9.288
  626    H    MET 206           H        MET 206  -7.524  -2.679  -4.208
  627    HA   MET 206           HA       MET 206  -6.075  -0.565  -2.840
  628   1HB   MET 206          1HB       MET 206  -6.997  -3.252  -2.063
  629   2HB   MET 206          2HB       MET 206  -5.395  -2.882  -1.532
  630   1HG   MET 206          1HG       MET 206  -6.176  -0.654  -0.630
  631   2HG   MET 206          2HG       MET 206  -7.774  -1.245  -0.883
  632   1HE   MET 206          1HE       MET 206  -8.588  -3.488  -0.031
  633   2HE   MET 206          2HE       MET 206  -8.295  -4.056   1.625
  634   3HE   MET 206          3HE       MET 206  -9.053  -2.489   1.360
  635    H    GLU 207           H        GLU 207  -4.993  -3.783  -4.195
  636    HA   GLU 207           HA       GLU 207  -2.345  -3.644  -3.502
  637   1HB   GLU 207          1HB       GLU 207  -3.547  -4.711  -6.093
  638   2HB   GLU 207          2HB       GLU 207  -1.895  -5.018  -5.502
  639   1HG   GLU 207          1HG       GLU 207  -2.579  -6.240  -3.665
  640   2HG   GLU 207          2HG       GLU 207  -4.270  -5.783  -3.804
  641    H    ARG 208           H        ARG 208  -3.861  -2.176  -6.375
  642    HA   ARG 208           HA       ARG 208  -1.547  -0.962  -7.433
  643   1HB   ARG 208          1HB       ARG 208  -4.536  -0.387  -7.632
  644   2HB   ARG 208          2HB       ARG 208  -3.345   0.650  -8.413
  645   1HG   ARG 208          1HG       ARG 208  -2.324  -1.417  -9.413
  646   2HG   ARG 208          2HG       ARG 208  -3.707  -2.344  -8.889
  647   1HD   ARG 208          1HD       ARG 208  -4.092   0.169 -10.540
  648   2HD   ARG 208          2HD       ARG 208  -3.471  -1.260 -11.317
  649    HE   ARG 208           HE       ARG 208  -6.182  -0.831 -10.328
  650   1HH1  ARG 208          1HH1      ARG 208  -3.816  -3.282 -11.324
  651   2HH1  ARG 208          2HH1      ARG 208  -4.947  -4.352 -12.052
  652   1HH2  ARG 208          1HH2      ARG 208  -7.748  -2.201 -11.350
  653   2HH2  ARG 208          2HH2      ARG 208  -7.287  -3.664 -12.095
  654    H    VAL 209           H        VAL 209  -4.018   0.626  -5.251
  655    HA   VAL 209           HA       VAL 209  -2.596   3.028  -5.051
  656    HB   VAL 209           HB       VAL 209  -5.014   1.997  -4.217
  657   1HG1  VAL 209          1HG1      VAL 209  -4.100   1.144  -2.101
  658   2HG1  VAL 209          2HG1      VAL 209  -3.553   2.810  -1.731
  659   3HG1  VAL 209          3HG1      VAL 209  -5.288   2.446  -1.879
  660   1HG2  VAL 209          1HG2      VAL 209  -3.709   4.595  -3.368
  661   2HG2  VAL 209          2HG2      VAL 209  -4.661   4.288  -4.850
  662   3HG2  VAL 209          3HG2      VAL 209  -5.433   4.226  -3.251
  663    H    VAL 210           H        VAL 210  -2.277   0.047  -3.181
  664    HA   VAL 210           HA       VAL 210  -0.483   1.109  -1.241
  665    HB   VAL 210           HB       VAL 210  -1.125  -1.728  -2.098
  666   1HG1  VAL 210          1HG1      VAL 210   1.059  -1.649  -0.848
  667   2HG1  VAL 210          2HG1      VAL 210   0.239  -0.828   0.484
  668   3HG1  VAL 210          3HG1      VAL 210  -0.217  -2.486   0.040
  669   1HG2  VAL 210          1HG2      VAL 210  -2.129   0.121   0.137
  670   2HG2  VAL 210          2HG2      VAL 210  -3.133  -0.661  -1.085
  671   3HG2  VAL 210          3HG2      VAL 210  -2.409  -1.622   0.181
  672    H    GLU 211           H        GLU 211   0.179  -0.514  -4.419
  673    HA   GLU 211           HA       GLU 211   3.028  -0.487  -4.282
  674   1HB   GLU 211          1HB       GLU 211   1.066  -0.003  -6.585
  675   2HB   GLU 211          2HB       GLU 211   2.778   0.191  -6.777
  676   1HG   GLU 211          1HG       GLU 211   3.131  -2.164  -6.087
  677   2HG   GLU 211          2HG       GLU 211   1.373  -2.389  -6.058
  678    H    GLN 212           H        GLN 212   0.779   2.231  -5.198
  679    HA   GLN 212           HA       GLN 212   2.913   4.081  -5.658
  680   1HB   GLN 212          1HB       GLN 212  -0.034   4.379  -5.087
  681   2HB   GLN 212          2HB       GLN 212   0.983   5.745  -4.681
  682   1HG   GLN 212          1HG       GLN 212   0.662   4.562  -7.415
  683   2HG   GLN 212          2HG       GLN 212   0.111   6.131  -6.854
  684   2HE2  GLN 212          2HE2      GLN 212   1.841   5.653  -9.149
  685   1HE2  GLN 212          1HE2      GLN 212   3.377   6.387  -8.740
  686    H    MET 213           H        MET 213   1.021   3.423  -2.664
  687    HA   MET 213           HA       MET 213   2.291   5.432  -1.110
  688   1HB   MET 213          1HB       MET 213   0.849   2.825  -0.441
  689   2HB   MET 213          2HB       MET 213   1.366   3.992   0.800
  690   1HG   MET 213          1HG       MET 213   0.004   5.703  -0.040
  691   2HG   MET 213          2HG       MET 213  -0.195   4.940  -1.593
  692   1HE   MET 213          1HE       MET 213  -1.021   3.505   2.005
  693   2HE   MET 213          2HE       MET 213  -2.505   2.632   1.533
  694   3HE   MET 213          3HE       MET 213  -0.948   2.168   0.831
  695    H    CYS 214           H        CYS 214   3.187   1.947  -1.620
  696    HA   CYS 214           HA       CYS 214   5.365   2.236   0.242
  697   1HB   CYS 214          1HB       CYS 214   4.156   0.047  -0.741
  698   2HB   CYS 214          2HB       CYS 214   5.588   0.062  -1.774
  699    H    ILE 215           H        ILE 215   5.219   2.576  -3.359
  700    HA   ILE 215           HA       ILE 215   8.016   2.890  -3.805
  701    HB   ILE 215           HB       ILE 215   5.466   3.785  -5.186
  702   1HG1  ILE 215          1HG1      ILE 215   7.591   1.805  -6.053
  703   2HG1  ILE 215          2HG1      ILE 215   6.184   1.369  -5.101
  704   1HG2  ILE 215          1HG2      ILE 215   8.285   4.251  -6.254
  705   2HG2  ILE 215          2HG2      ILE 215   6.785   4.489  -7.170
  706   3HG2  ILE 215          3HG2      ILE 215   7.130   5.509  -5.790
  707   1HD1  ILE 215          1HD1      ILE 215   4.673   2.142  -6.860
  708   2HD1  ILE 215          2HD1      ILE 215   6.061   2.519  -7.910
  709   3HD1  ILE 215          3HD1      ILE 215   5.750   0.846  -7.416
  710    H    THR 216           H        THR 216   5.418   5.095  -2.952
  711    HA   THR 216           HA       THR 216   6.908   7.550  -2.920
  712    HB   THR 216           HB       THR 216   4.429   6.656  -1.391
  713    HG1  THR 216           HG1      THR 216   4.052   6.594  -3.504
  714   1HG2  THR 216          1HG2      THR 216   5.380   8.672  -0.319
  715   2HG2  THR 216          2HG2      THR 216   5.297   9.514  -1.899
  716   3HG2  THR 216          3HG2      THR 216   3.822   8.924  -1.086
  717    H    GLN 217           H        GLN 217   6.334   5.080  -0.435
  718    HA   GLN 217           HA       GLN 217   7.274   6.553   1.827
  719   1HB   GLN 217          1HB       GLN 217   5.753   4.504   1.792
  720   2HB   GLN 217          2HB       GLN 217   7.118   3.530   1.323
  721   1HG   GLN 217          1HG       GLN 217   8.029   4.765   3.652
  722   2HG   GLN 217          2HG       GLN 217   7.465   3.118   3.409
  723   2HE2  GLN 217          2HE2      GLN 217   6.373   6.462   4.308
  724   1HE2  GLN 217          1HE2      GLN 217   4.877   5.917   5.092
  725    H    TYR 218           H        TYR 218   8.700   4.072  -0.269
  726    HA   TYR 218           HA       TYR 218  11.361   3.988   0.746
  727   1HB   TYR 218          1HB       TYR 218  10.917   2.264  -0.598
  728   2HB   TYR 218          2HB       TYR 218   9.848   3.137  -1.645
  729    HD1  TYR 218           HD1      TYR 218  10.930   4.536  -3.582
  730    HD2  TYR 218           HD2      TYR 218  13.242   2.002  -0.974
  731    HE1  TYR 218           HE1      TYR 218  12.732   4.426  -5.280
  732    HE2  TYR 218           HE2      TYR 218  14.999   1.794  -2.712
  733    HH   TYR 218           HH       TYR 218  14.999   3.676  -5.713
  734    H    GLU 219           H        GLU 219   9.743   6.269  -1.647
  735    HA   GLU 219           HA       GLU 219  12.202   7.359  -2.494
  736   1HB   GLU 219          1HB       GLU 219   9.467   7.703  -3.040
  737   2HB   GLU 219          2HB       GLU 219   9.940   9.235  -2.319
  738   1HG   GLU 219          1HG       GLU 219  11.290   7.826  -4.639
  739   2HG   GLU 219          2HG       GLU 219  10.138   9.148  -4.765
  740    H    ARG 220           H        ARG 220   9.940   8.400   0.136
  741    HA   ARG 220           HA       ARG 220  11.501  10.617   0.976
  742   1HB   ARG 220          1HB       ARG 220   9.512   8.824   2.457
  743   2HB   ARG 220          2HB       ARG 220  10.346  10.158   3.233
  744   1HG   ARG 220          1HG       ARG 220   9.469  11.430   1.003
  745   2HG   ARG 220          2HG       ARG 220   8.656  11.451   2.571
  746   1HD   ARG 220          1HD       ARG 220   7.558   9.205   1.465
  747   2HD   ARG 220          2HD       ARG 220   6.834  10.800   1.432
  748    HE   ARG 220           HE       ARG 220   8.101   9.357  -0.736
  749   1HH1  ARG 220          1HH1      ARG 220   6.843  12.555   0.238
  750   2HH1  ARG 220          2HH1      ARG 220   7.316  13.299  -1.268
  751   1HH2  ARG 220          1HH2      ARG 220   8.454  10.351  -2.784
  752   2HH2  ARG 220          2HH2      ARG 220   7.691  11.841  -3.163
  753    H    GLU 221           H        GLU 221  11.554   7.191   1.937
  754    HA   GLU 221           HA       GLU 221  13.572   7.463   3.961
  755   1HB   GLU 221          1HB       GLU 221  12.546   5.151   2.278
  756   2HB   GLU 221          2HB       GLU 221  13.755   4.921   3.529
  757   1HG   GLU 221          1HG       GLU 221  11.029   6.211   4.050
  758   2HG   GLU 221          2HG       GLU 221  11.325   4.485   4.176
  759    H    SER 222           H        SER 222  13.765   7.026   0.419
  760    HA   SER 222           HA       SER 222  16.572   6.391   0.306
  761   1HB   SER 222          1HB       SER 222  15.116   5.647  -1.445
  762   2HB   SER 222          2HB       SER 222  14.416   7.258  -1.669
  763    HG   SER 222           HG       SER 222  16.328   6.276  -3.074
  764    H    GLN 223           H        GLN 223  14.614   9.369  -0.185
  765    HA   GLN 223           HA       GLN 223  16.822  11.110  -0.753
  766   1HB   GLN 223          1HB       GLN 223  13.992  11.535   0.329
  767   2HB   GLN 223          2HB       GLN 223  15.083  12.881  -0.007
  768   1HG   GLN 223          1HG       GLN 223  14.368  10.829  -2.144
  769   2HG   GLN 223          2HG       GLN 223  13.373  12.223  -1.809
  770   2HE2  GLN 223          2HE2      GLN 223  16.261  11.167  -3.380
  771   1HE2  GLN 223          1HE2      GLN 223  16.922  12.757  -3.813
  772    H    ALA 224           H        ALA 224  15.293   9.973   2.210
  773    HA   ALA 224           HA       ALA 224  16.636  11.827   3.998
  774   1HB   ALA 224          1HB       ALA 224  14.606  10.564   4.671
  775   2HB   ALA 224          2HB       ALA 224  15.533   9.046   4.585
  776   3HB   ALA 224          3HB       ALA 224  15.963  10.289   5.771
  777    H    TYR 225           H        TYR 225  17.450   8.561   2.722
  778    HA   TYR 225           HA       TYR 225  19.654   8.034   4.476
  779   1HB   TYR 225          1HB       TYR 225  18.239   6.363   3.227
  780   2HB   TYR 225          2HB       TYR 225  18.958   6.910   1.727
  781    HD1  TYR 225           HD1      TYR 225  21.611   6.709   1.537
  782    HD2  TYR 225           HD2      TYR 225  19.145   4.503   4.331
  783    HE1  TYR 225           HE1      TYR 225  23.361   5.019   1.738
  784    HE2  TYR 225           HE2      TYR 225  20.921   2.804   4.557
  785    HH   TYR 225           HH       TYR 225  23.126   2.151   3.899
  786    H    TYR 226           H        TYR 226  19.231   9.384   1.206
  787    HA   TYR 226           HA       TYR 226  22.090   9.578   0.689
  788   1HB   TYR 226          1HB       TYR 226  19.660  10.794  -0.691
  789   2HB   TYR 226          2HB       TYR 226  21.304  10.897  -1.290
  790    HD1  TYR 226           HD1      TYR 226  22.268   8.056  -0.722
  791    HD2  TYR 226           HD2      TYR 226  18.612   9.559  -2.408
  792    HE1  TYR 226           HE1      TYR 226  22.022   5.964  -1.943
  793    HE2  TYR 226           HE2      TYR 226  18.386   7.471  -3.745
  794    HH   TYR 226           HH       TYR 226  20.728   4.742  -3.465
  795    H    GLN 227           H        GLN 227  19.691  11.676   2.019
  796    HA   GLN 227           HA       GLN 227  21.399  14.089   1.773
  797   1HB   GLN 227          1HB       GLN 227  18.720  13.660   3.129
  798   2HB   GLN 227          2HB       GLN 227  19.690  15.113   3.395
  799   1HG   GLN 227          1HG       GLN 227  19.817  15.498   0.924
  800   2HG   GLN 227          2HG       GLN 227  18.716  14.148   0.667
  801   2HE2  GLN 227          2HE2      GLN 227  17.705  15.764   3.555
  802   1HE2  GLN 227          1HE2      GLN 227  16.664  16.926   2.822
  803    H    ARG 228           H        ARG 228  21.427  11.404   3.779
  804    HA   ARG 228           HA       ARG 228  22.780  12.725   6.046
  805   1HB   ARG 228          1HB       ARG 228  23.512  10.565   6.773
  806   2HB   ARG 228          2HB       ARG 228  23.232   9.829   5.189
  807   1HG   ARG 228          1HG       ARG 228  20.971  11.211   6.614
  808   2HG   ARG 228          2HG       ARG 228  20.947   9.933   5.401
  809   1HD   ARG 228          1HD       ARG 228  21.422   8.230   6.959
  810   2HD   ARG 228          2HD       ARG 228  21.957   9.373   8.192
  811    HE   ARG 228           HE       ARG 228  19.192   8.641   7.503
  812   1HH1  ARG 228          1HH1      ARG 228  21.227  11.082   9.131
  813   2HH1  ARG 228          2HH1      ARG 228  19.902  11.821   9.960
  814   1HH2  ARG 228          1HH2      ARG 228  17.500   9.572   8.568
  815   2HH2  ARG 228          2HH2      ARG 228  17.662  10.896   9.680

  No H/Q in entry =         815